data_1j4o_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 1j4o _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 ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 112.733 0.642 . . . . 8.1300000000000008 112.733 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -29.87 5.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.53 -0.304 . . . . 9.1799999999999997 110.931 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -59.9 -45.51 92.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.418 -0.355 . . . . 10.74 110.387 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -35.76 76.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 10.289999999999999 110.16 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -36.69 77.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.605 . . . . 7.5999999999999996 110.479 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -43.78 97.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 9.3699999999999992 110.547 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.65 -48.55 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 9.25 110.464 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -65.48 -37.7 87.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.959 -0.564 . . . . 6.8700000000000001 110.335 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -66.96 -26.52 66.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.823 -0.626 . . . . 8.3200000000000003 110.816 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -47.01 87.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 13.42 111.059 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -63.78 -47.04 82.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 10.58 110.809 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -99.42 30.51 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 9.5199999999999996 110.694 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -78.64 152.52 31.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.497 . . . . 9.6799999999999997 110.981 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.85 101.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 7.25 110.54 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.8 mm -81.87 140.07 17.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 121.617 0.723 . . . . 8.25 111.72 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.05 23.48 0.69 Allowed Glycine 0 C--N 1.317 -0.522 0 CA-C-N 114.59 -1.186 . . . . 6.9199999999999999 112.566 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -61.07 -41.29 96.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 7.5800000000000001 110.609 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' A' ' 49' ' ' SER . 1.9 m-20 179.77 34.24 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 107.635 -1.246 . . . . 5.4400000000000004 107.635 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.748 ' HA ' ' HB3' ' A' ' 49' ' ' SER . 29.3 mm -73.21 136.81 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 CA-C-N 113.483 -1.689 . . . . 5.25 111.855 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.46 HG23 ' CB ' ' A' ' 50' ' ' ALA . 4.1 t -104.62 -51.94 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 CA-C-N 115.003 -0.999 . . . . 3.48 110.218 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 p -163.57 158.66 20.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 3.2200000000000002 110.107 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 137.86 54.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 6.9000000000000004 111.406 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.434 HG21 ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -102.63 122.54 55.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 3.8199999999999998 110.686 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.0 mt -129.81 119.82 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 5.2999999999999998 111.489 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.8 t -83.92 127.61 33.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.429 -0.35 . . . . 4.7599999999999998 110.544 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.21 -25.45 16.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 5.1799999999999997 111.468 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 142' ' ' SER . 34.8 p -79.68 -1.96 40.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 4.9199999999999999 111.488 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.3 74.65 0.44 Allowed Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.706 -0.759 . . . . 5.4299999999999997 112.713 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -146.12 -44.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 4.8200000000000003 111.065 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.526 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 2.8 mt -114.7 140.44 25.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 4.5999999999999996 110.894 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.526 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 59.0 Cg_endo -74.54 144.85 32.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.244 1.962 . . . . 5.8499999999999996 112.155 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.1 mt -58.64 145.68 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 5.9900000000000002 111.483 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.19 164.15 30.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.863 -0.608 . . . . 6.0800000000000001 110.244 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -116.44 119.41 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.069 0.462 . . . . 6.2300000000000004 111.718 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' HB3' ' CE2' ' A' ' 66' ' ' TRP . 8.7 mt -96.78 137.1 36.38 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.722 -0.844 . . . . 3.5099999999999998 108.722 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.748 ' HB3' ' HA ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -153.59 160.8 42.55 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 114.286 1.217 . . . . 4.4199999999999999 114.286 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 33' ' ' VAL . . . -145.07 145.62 31.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.498 -1.683 . . . . 3.7799999999999998 110.275 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.512 ' CB ' ' HG3' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -74.91 132.87 41.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.205 0.526 . . . . 4.96 111.265 -179.387 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.54 -42.29 94.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.369 -0.832 . . . . 5.2300000000000004 112.266 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -41.99 78.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.979 -0.555 . . . . 5.8799999999999999 111.007 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.512 ' HG3' ' CB ' ' A' ' 51' ' ' ASP . 1.7 mt-30 -68.99 -37.24 78.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.585 -0.734 . . . . 5.54 110.789 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.03 -47.36 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 3.71 111.051 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -26.56 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 5.3499999999999996 110.887 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -80.59 -48.1 13.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 5.8600000000000003 110.946 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -70.16 120.06 15.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 4.7000000000000002 111.01 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 28.83 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 7.4199999999999999 110.817 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -95.61 -176.88 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 7.5599999999999996 110.907 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 t -97.43 36.76 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 5.9000000000000004 110.969 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.9 tp -178.1 146.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 4.2999999999999998 111.134 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.14 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 4.1699999999999999 110.801 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 49' ' ' SER . 7.6 ttpt -148.89 136.26 20.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 4.1399999999999997 110.95 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 91' ' ' ILE . 4.4 t -123.29 138.95 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.234 0.54 . . . . 3.0899999999999999 112.065 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 48' ' ' LEU . 15.4 m-90 -102.75 139.36 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.405 -0.816 . . . . 3.1200000000000001 111.929 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -113.86 130.21 56.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.769 -0.456 . . . . 3.54 109.769 177.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CG ' ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -117.96 145.97 44.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.058 -0.519 . . . . 2.96 110.953 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.607 ' HA3' ' O ' ' A' ' 86' ' ' ASN . . . 159.33 -167.45 35.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.331 -0.938 . . . . 3.6400000000000001 113.228 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 mtp85 -79.84 2.61 22.5 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.711 0.263 . . . . 5.8499999999999996 111.711 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -84.34 128.74 60.68 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 120.539 0.209 . . . . 5.9299999999999997 111.075 -179.525 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.426 ' HA ' ' CD2' ' A' ' 77' ' ' HIS . 20.2 Cg_exo -65.72 -13.33 39.31 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.362 2.041 . . . . 6.29 111.707 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.96 -42.53 16.17 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 121.766 0.793 . . . . 5.4900000000000002 109.025 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -39.33 137.68 0.74 Allowed 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 113.954 -1.475 . . . . 4.5 110.801 179.584 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.5 m-20 -55.17 -18.05 5.22 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.568 -0.742 . . . . 3.9700000000000002 110.067 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.484 ' CB ' ' CD2' ' A' ' 68' ' ' PHE . 4.4 t80 -130.09 117.47 20.03 Favored 'General case' 0 C--N 1.338 0.088 0 CA-C-N 116.502 -0.317 . . . . 4.4900000000000002 110.676 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 72' ' ' PRO . 2.1 t-160 -97.6 113.06 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 5.7800000000000002 111.153 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.04 -167.91 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 4.7699999999999996 110.584 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.66 -82.53 0.53 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.661 -0.781 . . . . 4.9000000000000004 112.37 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.6 p30 175.58 72.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 6.5099999999999998 110.694 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.406 ' CD1' ' CD1' ' A' ' 141' ' ' LEU . 2.9 mt -110.98 114.73 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 4.4699999999999998 111.327 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.96 -31.29 60.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 5.3700000000000001 111.125 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -29.74 69.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 5.8399999999999999 110.771 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.3 mt -94.86 152.16 18.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 4.2199999999999998 110.855 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.7 p -92.86 163.95 13.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.484 -0.326 . . . . 4.5499999999999998 111.506 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.607 ' O ' ' HA3' ' A' ' 69' ' ' GLY . 2.6 m-20 -42.11 -52.44 4.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.469 0.652 . . . . 5.9100000000000001 109.903 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -120.0 82.03 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.931 -1.507 . . . . 5.2699999999999996 106.931 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 105' ' ' SER . 12.5 t60 -60.77 -45.98 92.22 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.209 -0.905 . . . . 3.3500000000000001 112.762 -177.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' CE2' ' CG ' ' A' ' 68' ' ' PHE . 24.8 p90 -145.9 160.69 41.45 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.185 -0.606 . . . . 2.6800000000000002 112.008 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 66' ' ' TRP . 4.0 tt0 -136.14 142.16 44.18 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.041 -0.527 . . . . 3.5600000000000001 111.198 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 76.4 mt -116.35 130.1 71.7 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 120.972 -0.291 . . . . 1.73 110.927 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 102' ' ' ASN . 0.7 OUTLIER -111.47 147.27 35.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.426 . . . . 3.2599999999999998 111.476 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.406 ' CD2' HG22 ' A' ' 33' ' ' VAL . 3.6 tp -125.21 123.53 39.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.762 -0.654 . . . . 3.0499999999999998 110.635 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.66 -159.75 10.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 3.29 112.301 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 58.84 -162.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.692 0.282 . . . . 6.2699999999999996 110.832 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.09 57.62 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 5.4699999999999998 111.192 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.11 -23.41 31.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.687 -0.768 . . . . 3.9900000000000002 112.971 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -56.49 139.55 48.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 4.75 111.023 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.93 152.58 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 3.04 110.825 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 122' ' ' GLN . 4.0 mp -133.13 146.81 51.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 3.7400000000000002 110.491 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.4 mt -112.71 125.93 54.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 3.3100000000000001 110.216 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' GLN . 50.4 t30 -116.86 115.33 25.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 3.7999999999999998 111.799 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.686 ' CG ' ' HA ' ' A' ' 118' ' ' LYS . 8.2 p30 -77.89 141.32 39.16 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.788 -0.449 . . . . 3.8700000000000001 109.788 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.5 pt -148.34 39.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.726 -0.215 . . . . 3.9100000000000001 111.537 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.593 ' HB2' ' H ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -98.62 150.64 21.53 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 121.064 0.459 . . . . 4.5 112.034 -178.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.0 m -69.49 -30.96 68.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.621 -0.718 . . . . 6.0199999999999996 109.865 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -98.16 -20.36 17.35 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.828 0.677 . . . . 5.1299999999999999 112.828 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.593 ' H ' ' HB2' ' A' ' 105' ' ' SER . . . 119.6 155.49 9.75 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 120.328 -0.939 . . . . 4.2800000000000002 113.606 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' A' ' 103' ' ' ASP . 11.0 m -117.9 138.51 52.09 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.602 -0.518 . . . . 3.6699999999999999 109.602 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.846 ' CE2' ' HB2' ' A' ' 115' ' ' LYS . 2.7 m-90 -116.83 149.09 40.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.468 0.914 . . . . 4.9100000000000001 113.468 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.29 112.11 16.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.844 -1.071 . . . . 4.2199999999999998 108.407 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 45.0 43.0 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.002 -0.545 . . . . 4.79 112.18 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.25 -9.08 76.55 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 120.813 -0.708 . . . . 4.9000000000000004 113.39 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -105.32 117.24 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.958 0.409 . . . . 7.0099999999999998 110.876 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.846 ' HB2' ' CE2' ' A' ' 110' ' ' TRP . 9.4 tptt -72.66 122.97 22.31 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.774 -0.648 . . . . 5.3600000000000003 111.179 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.7 m -95.87 164.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.575 . . . . 4.7000000000000002 111.213 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 120' ' ' SER . 6.0 tt0 -69.83 127.22 32.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 6.8700000000000001 110.587 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.686 ' HA ' ' CG ' ' A' ' 103' ' ' ASP . 88.5 tttt -53.43 162.28 0.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.832 0.349 . . . . 5.8899999999999997 110.675 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 103' ' ' ASP . 12.5 m-80 33.43 35.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.627 -0.715 . . . . 5.9400000000000004 112.26 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -113.38 145.1 41.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.648 -0.706 . . . . 4.9500000000000002 111.008 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -87.84 130.77 34.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 4.25 111.114 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 39.0 mm-40 -129.64 147.63 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 4.6699999999999999 110.52 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.3 tp -72.53 113.42 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.414 -0.357 . . . . 4.8499999999999996 110.347 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 68.4 tp -53.18 157.51 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.335 0.588 . . . . 3.46 111.553 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.74 153.78 41.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.167 -0.924 . . . . 4.3499999999999996 110.433 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.36 123.3 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 5.7599999999999998 110.19 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.9 21.05 54.91 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.714 -0.755 . . . . 4.6500000000000004 112.136 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -54.0 172.53 0.08 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.928 0.394 . . . . 3.7799999999999998 111.034 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -145.12 135.01 23.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.988 -0.551 . . . . 4.4400000000000004 111.175 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 110' ' ' TRP . 18.3 mt -115.32 128.57 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 116.22 -0.446 . . . . 2.5 110.523 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.461 ' CG2' ' CG2' ' A' ' 140' ' ' ILE . 3.0 m -103.36 142.46 34.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 3.6800000000000002 110.134 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.513 ' HB ' ' CE1' ' A' ' 88' ' ' HIS . 33.1 m -140.44 158.5 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.14 0.495 . . . . 3.1099999999999999 112.201 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.0 43.25 9.99 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.705 -0.679 . . . . 3.8599999999999999 111.929 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.474 ' HA ' HG12 ' A' ' 140' ' ' ILE . 57.0 t -83.62 140.74 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 121.69 0.757 . . . . 4.9199999999999999 112.391 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 151.82 -38.4 0.8 Allowed Glycine 0 N--CA 1.436 -1.325 0 N-CA-C 109.88 -1.288 . . . . 5.3600000000000003 109.88 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.8 t -126.78 123.06 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 114.624 -0.788 . . . . 5.5099999999999998 109.141 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -49.87 -31.44 12.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.801 0.334 . . . . 5.96 111.382 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.8 m -93.93 7.05 46.48 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 112.38 0.511 . . . . 5.5599999999999996 112.38 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -126.41 26.61 6.34 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 113.321 0.86 . . . . 5.1799999999999997 113.321 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.474 HG12 ' HA ' ' A' ' 134' ' ' VAL . 4.4 mt -107.44 140.09 26.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 115.58 -0.736 . . . . 4.54 111.227 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.406 ' CD1' ' CD1' ' A' ' 81' ' ' ILE . 1.8 tt -124.77 134.7 52.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.399 -0.819 . . . . 3.7400000000000002 110.582 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.428 ' HB3' HG23 ' A' ' 40' ' ' THR . 46.7 t -110.03 150.95 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 3.7799999999999998 112.468 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -136.64 139.25 41.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.698 -1.137 . . . . 3.3799999999999999 110.63 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 23.7 t -111.14 133.68 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.819 0.343 . . . . 4.1900000000000004 111.332 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.47 HG22 HD12 ' A' ' 145' ' ' ILE . 38.3 mt -105.38 130.81 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 CA-C-N 116.179 -0.464 . . . . 3.5099999999999998 110.869 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.52 119.96 37.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 6.1799999999999997 111.116 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.08 134.27 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 4.6900000000000004 111.221 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -75.93 114.33 14.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 5.5199999999999996 110.907 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -34.17 76.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 6.5499999999999998 110.851 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -46.16 90.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.083 0.468 . . . . 8.0899999999999999 110.716 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.441 ' CE1' ' CD2' ' A' ' 155' ' ' LEU . 2.1 t80 -60.2 -44.7 94.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.626 . . . . 5.0199999999999996 110.92 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -60.01 -35.81 75.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.884 -0.598 . . . . 5.46 110.872 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -63.89 -39.73 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 7.6500000000000004 110.899 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 9.4 t -67.99 -44.6 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 5.7999999999999998 110.867 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.441 ' CD2' ' CE1' ' A' ' 151' ' ' PHE . 3.6 mm? -68.18 -38.58 82.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 5.0099999999999998 110.812 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.52 -41.23 76.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 6.7300000000000004 110.683 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -28.81 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.026 -0.534 . . . . 7.3899999999999997 110.724 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 42.87 76.85 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.062 -0.517 . . . . 6.0800000000000001 111.622 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -106.5 113.94 27.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 9.9900000000000002 110.645 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 161' ' ' ASP . 28.2 m -77.0 116.05 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 7.2400000000000002 111.348 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 160' ' ' VAL . 1.0 OUTLIER 24.28 -103.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.908 -0.587 . . . . 8.7799999999999994 112.116 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 134.24 0.01 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.973 0.416 . . . . 12.57 111.282 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 1.2 pp -105.35 130.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 10.85 111.096 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.195 -0.907 . . . . 13.289999999999999 112.046 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 112.733 0.642 . . . . 7.93 112.733 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -29.87 5.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.53 -0.304 . . . . 8.83 110.931 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -59.9 -45.51 92.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.418 -0.355 . . . . 10.13 110.387 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -35.76 76.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 9.72 110.16 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -36.69 77.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.605 . . . . 6.97 110.479 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -43.78 97.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 9.03 110.547 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.65 -48.55 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 8.81 110.464 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -65.48 -37.7 87.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.959 -0.564 . . . . 6.87 110.335 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -66.96 -26.52 66.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.823 -0.626 . . . . 8.23 110.816 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -47.01 87.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 12.56 111.059 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -63.78 -47.04 82.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 10.22 110.809 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -99.42 30.51 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 9.34 110.694 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -78.64 152.52 31.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.497 . . . . 9.68 110.981 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.85 101.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 7.11 110.54 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.8 mm -81.87 140.07 17.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 121.617 0.723 . . . . 7.93 111.72 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.05 23.48 0.69 Allowed Glycine 0 C--N 1.317 -0.522 0 CA-C-N 114.59 -1.186 . . . . 6.6 112.566 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -61.07 -41.29 96.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 7.58 110.609 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' A' ' 49' ' ' SER . 1.9 m-20 179.77 34.24 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 107.635 -1.246 . . . . 5.4 107.635 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.772 ' HA ' ' HB3' ' A' ' 49' ' ' SER . 29.3 mm -73.21 136.81 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 CA-C-N 113.483 -1.689 . . . . 5.03 111.855 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.892 HG13 HD13 ' A' ' 93' ' ' LEU . 4.1 t -104.62 -51.94 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 CA-C-N 115.003 -0.999 . . . . 3.48 110.218 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.569 ' SG ' HD12 ' A' ' 48' ' ' LEU . 7.8 p -163.57 158.66 20.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 3.17 110.107 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 137.86 54.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 6.49 111.406 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.619 HG22 HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -102.63 122.54 55.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 3.82 110.686 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.561 HG23 HG12 ' A' ' 45' ' ' ILE . 19.0 mt -129.81 119.82 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 4.95 111.489 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' HA ' HD13 ' A' ' 143' ' ' LEU . 47.8 t -83.92 127.61 33.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.429 -0.35 . . . . 4.76 110.544 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.21 -25.45 16.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 5.18 111.468 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.498 HG21 ' H ' ' A' ' 142' ' ' SER . 34.8 p -79.68 -1.96 40.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 4.92 111.488 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.3 74.65 0.44 Allowed Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.706 -0.759 . . . . 5.13 112.713 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.478 ' CB ' HD11 ' A' ' 141' ' ' LEU . 0.9 OUTLIER -146.12 -44.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 4.77 111.065 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.604 ' CD1' HD22 ' A' ' 78' ' ' LEU . 2.8 mt -114.7 140.44 25.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 4.6 110.894 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 59.0 Cg_endo -74.54 144.85 32.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.244 1.962 . . . . 5.54 112.155 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.561 HG12 HG23 ' A' ' 37' ' ' ILE . 37.1 mt -58.64 145.68 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 5.72 111.483 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.19 164.15 30.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.863 -0.608 . . . . 5.77 110.244 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -116.44 119.41 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.069 0.462 . . . . 6.23 111.718 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.86 HD22 ' CD1' ' A' ' 66' ' ' TRP . 8.7 mt -96.78 137.1 36.38 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.722 -0.844 . . . . 3.51 108.722 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.772 ' HB3' ' HA ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -153.59 160.8 42.55 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 114.286 1.217 . . . . 4.25 114.286 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.65 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -145.07 145.62 31.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.498 -1.683 . . . . 3.78 110.275 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.749 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -74.91 132.87 41.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.205 0.526 . . . . 4.96 111.265 -179.387 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.54 -42.29 94.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.369 -0.832 . . . . 4.92 112.266 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -41.99 78.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.979 -0.555 . . . . 5.55 111.007 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.539 ' HG3' ' CB ' ' A' ' 51' ' ' ASP . 1.7 mt-30 -68.99 -37.24 78.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.585 -0.734 . . . . 5.17 110.789 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 51' ' ' ASP . 39.4 t -68.03 -47.36 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 3.66 111.051 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.695 HD22 HG12 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -70.97 -26.56 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 4.87 110.887 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -80.59 -48.1 13.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 5.57 110.946 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -70.16 120.06 15.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 4.64 111.01 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 28.83 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 7.01 110.817 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -95.61 -176.88 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 7.04 110.907 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 t -97.43 36.76 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 5.64 110.969 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.727 HD11 HG22 ' A' ' 65' ' ' VAL . 8.9 tp -178.1 146.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 3.89 111.134 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.592 ' HG2' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -123.14 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 3.88 110.801 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 49' ' ' SER . 7.6 ttpt -148.89 136.26 20.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 3.77 110.95 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.727 HG22 HD11 ' A' ' 62' ' ' ILE . 4.4 t -123.29 138.95 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.234 0.54 . . . . 2.67 112.065 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.86 ' CD1' HD22 ' A' ' 48' ' ' LEU . 15.4 m-90 -102.75 139.36 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.405 -0.816 . . . . 2.8 111.929 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' HG3' ' A' ' 90' ' ' GLN . 0.2 OUTLIER -113.86 130.21 56.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.769 -0.456 . . . . 3.25 109.769 177.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CZ ' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -117.96 145.97 44.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.058 -0.519 . . . . 2.72 110.953 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.61 ' HA3' ' O ' ' A' ' 86' ' ' ASN . . . 159.33 -167.45 35.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.331 -0.938 . . . . 3.64 113.228 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 mtp85 -79.84 2.61 22.5 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.711 0.263 . . . . 5.35 111.711 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -84.34 128.74 60.68 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 120.539 0.209 . . . . 5.63 111.075 -179.525 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.414 ' HA ' ' CD2' ' A' ' 77' ' ' HIS . 20.2 Cg_exo -65.72 -13.33 39.31 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.362 2.041 . . . . 5.96 111.707 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.96 -42.53 16.17 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 121.766 0.793 . . . . 5.3 109.025 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -39.33 137.68 0.74 Allowed 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 113.954 -1.475 . . . . 4.39 110.801 179.584 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.5 m-20 -55.17 -18.05 5.22 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.568 -0.742 . . . . 3.97 110.067 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.499 ' CE2' HG21 ' A' ' 43' ' ' ILE . 4.4 t80 -130.09 117.47 20.03 Favored 'General case' 0 C--N 1.338 0.088 0 CA-C-N 116.502 -0.317 . . . . 3.81 110.676 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' A' ' 72' ' ' PRO . 2.1 t-160 -97.6 113.06 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 5.46 111.153 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 43' ' ' ILE . 5.7 mt -85.04 -167.91 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 4.77 110.584 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.66 -82.53 0.53 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.661 -0.781 . . . . 4.9 112.37 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.6 p30 175.58 72.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 6.14 110.694 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 141' ' ' LEU . 2.9 mt -110.98 114.73 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 4.35 111.327 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.96 -31.29 60.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 5.33 111.125 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -29.74 69.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 5.58 110.771 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD21 HG23 ' A' ' 132' ' ' VAL . 16.3 mt -94.86 152.16 18.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 4.22 110.855 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.7 p -92.86 163.95 13.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.484 -0.326 . . . . 4.3 111.506 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.61 ' O ' ' HA3' ' A' ' 69' ' ' GLY . 2.6 m-20 -42.11 -52.44 4.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.469 0.652 . . . . 5.66 109.903 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.513 ' HB3' HG22 ' A' ' 67' ' ' THR . 9.8 mttt -120.0 82.03 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.931 -1.507 . . . . 4.98 106.931 177.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 105' ' ' SER . 12.5 t60 -60.77 -45.98 92.22 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.209 -0.905 . . . . 3.12 112.762 -177.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' CE2' ' CG ' ' A' ' 68' ' ' PHE . 24.8 p90 -145.9 160.69 41.45 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.185 -0.606 . . . . 2.41 112.008 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.66 ' HG3' HG23 ' A' ' 67' ' ' THR . 4.0 tt0 -136.14 142.16 44.18 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.041 -0.527 . . . . 3.28 111.198 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.638 HD12 ' CZ ' ' A' ' 68' ' ' PHE . 76.4 mt -116.35 130.1 71.7 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 120.972 -0.291 . . . . 1.48 110.927 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 102' ' ' ASN . 0.7 OUTLIER -111.47 147.27 35.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.426 . . . . 2.8 111.476 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.892 HD13 HG13 ' A' ' 33' ' ' VAL . 3.6 tp -125.21 123.53 39.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.762 -0.654 . . . . 2.43 110.635 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.66 -159.75 10.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 3.29 112.301 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 58.84 -162.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.692 0.282 . . . . 6.27 110.832 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.09 57.62 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 5.47 111.192 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.11 -23.41 31.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.687 -0.768 . . . . 3.76 112.971 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -56.49 139.55 48.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 4.31 111.023 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -106.93 152.58 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 2.49 110.825 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 99' ' ' LEU . 4.0 mp -133.13 146.81 51.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 3.24 110.491 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.075 HD21 HD13 ' A' ' 124' ' ' LEU . 1.4 mt -112.71 125.93 54.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 2.79 110.216 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.457 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 50.4 t30 -116.86 115.33 25.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 3.47 111.799 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.832 ' OD2' HG23 ' A' ' 116' ' ' VAL . 8.2 p30 -77.89 141.32 39.16 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.788 -0.449 . . . . 3.87 109.788 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' A' ' 87' ' ' LYS . 9.5 pt -148.34 39.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.726 -0.215 . . . . 3.87 111.537 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.674 ' HB2' ' H ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -98.62 150.64 21.53 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 121.064 0.459 . . . . 4.5 112.034 -178.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.0 m -69.49 -30.96 68.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.621 -0.718 . . . . 5.61 109.865 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -98.16 -20.36 17.35 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.828 0.677 . . . . 5.13 112.828 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.674 ' H ' ' HB2' ' A' ' 105' ' ' SER . . . 119.6 155.49 9.75 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 120.328 -0.939 . . . . 4.21 113.606 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.501 ' HB ' ' HB3' ' A' ' 103' ' ' ASP . 11.0 m -117.9 138.51 52.09 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.602 -0.518 . . . . 3.5 109.602 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.874 ' CE2' ' HB2' ' A' ' 115' ' ' LYS . 2.7 m-90 -116.83 149.09 40.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.468 0.914 . . . . 4.58 113.468 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -124.29 112.11 16.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.844 -1.071 . . . . 4.11 108.407 177.617 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 45.0 43.0 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.002 -0.545 . . . . 4.79 112.18 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.25 -9.08 76.55 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 120.813 -0.708 . . . . 4.9 113.39 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -105.32 117.24 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.958 0.409 . . . . 6.54 110.876 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.874 ' HB2' ' CE2' ' A' ' 110' ' ' TRP . 9.4 tptt -72.66 122.97 22.31 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.774 -0.648 . . . . 5.14 111.179 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.832 HG23 ' OD2' ' A' ' 103' ' ' ASP . 12.7 m -95.87 164.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.575 . . . . 4.58 111.213 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 120' ' ' SER . 6.0 tt0 -69.83 127.22 32.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 6.87 110.587 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.69 ' HA ' ' CG ' ' A' ' 103' ' ' ASP . 88.5 tttt -53.43 162.28 0.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.832 0.349 . . . . 5.47 110.675 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 103' ' ' ASP . 12.5 m-80 33.43 35.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.627 -0.715 . . . . 5.61 112.26 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -113.38 145.1 41.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.648 -0.706 . . . . 4.85 111.008 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.685 ' HB3' HD23 ' A' ' 100' ' ' LEU . 27.2 m-80 -87.84 130.77 34.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 4.25 111.114 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 39.0 mm-40 -129.64 147.63 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 4.31 110.52 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.3 tp -72.53 113.42 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.414 -0.357 . . . . 4.33 110.347 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 1.075 HD13 HD21 ' A' ' 101' ' ' LEU . 68.4 tp -53.18 157.51 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.335 0.588 . . . . 3.46 111.553 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.43 ' H ' HD12 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -124.74 153.78 41.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.167 -0.924 . . . . 4.21 110.433 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 147' ' ' ILE . 5.0 mm100 -70.36 123.3 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 5.45 110.19 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.9 21.05 54.91 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.714 -0.755 . . . . 4.28 112.136 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -54.0 172.53 0.08 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.928 0.394 . . . . 3.69 111.034 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.635 ' HG3' HG22 ' A' ' 144' ' ' VAL . 24.9 tt0 -145.12 135.01 23.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.988 -0.551 . . . . 4.44 111.175 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 110' ' ' TRP . 18.3 mt -115.32 128.57 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 116.22 -0.446 . . . . 2.5 110.523 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.65 HG22 ' CG2' ' A' ' 140' ' ' ILE . 3.0 m -103.36 142.46 34.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 3.36 110.134 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.524 ' HB ' ' CE1' ' A' ' 88' ' ' HIS . 33.1 m -140.44 158.5 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.14 0.495 . . . . 3.11 112.201 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.0 43.25 9.99 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.705 -0.679 . . . . 3.86 111.929 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.508 ' HA ' HG12 ' A' ' 140' ' ' ILE . 57.0 t -83.62 140.74 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 121.69 0.757 . . . . 4.57 112.391 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 151.82 -38.4 0.8 Allowed Glycine 0 N--CA 1.436 -1.325 0 N-CA-C 109.88 -1.288 . . . . 5.36 109.88 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 138' ' ' SER . 48.8 t -126.78 123.06 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 114.624 -0.788 . . . . 5.2 109.141 177.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -49.87 -31.44 12.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.801 0.334 . . . . 5.96 111.382 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.531 ' H ' HG12 ' A' ' 136' ' ' VAL . 1.8 m -93.93 7.05 46.48 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 112.38 0.511 . . . . 5.42 112.38 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -126.41 26.61 6.34 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 113.321 0.86 . . . . 5.18 113.321 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.65 ' CG2' HG22 ' A' ' 131' ' ' THR . 4.4 mt -107.44 140.09 26.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 115.58 -0.736 . . . . 4.27 111.227 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.478 HD11 ' CB ' ' A' ' 42' ' ' GLN . 1.8 tt -124.77 134.7 52.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.399 -0.819 . . . . 3.43 110.582 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.528 ' O ' HD22 ' A' ' 143' ' ' LEU . 46.7 t -110.03 150.95 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 3.66 112.468 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 142' ' ' SER . 2.1 mm? -136.64 139.25 41.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.698 -1.137 . . . . 3.01 110.63 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.635 HG22 ' HG3' ' A' ' 129' ' ' GLU . 23.7 t -111.14 133.68 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.819 0.343 . . . . 3.98 111.332 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 38.3 mt -105.38 130.81 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 CA-C-N 116.179 -0.464 . . . . 3.51 110.869 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.52 119.96 37.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 5.79 111.116 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.513 HG12 HD21 ' A' ' 124' ' ' LEU . 5.9 mt -86.08 134.27 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 4.69 111.221 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASN . . . . . 0.456 ' HB2' HG22 ' A' ' 32' ' ' ILE . 2.0 t-20 -75.93 114.33 14.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 5.45 110.907 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -34.17 76.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 6.55 110.851 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -46.16 90.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.083 0.468 . . . . 7.82 110.716 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.444 ' CE1' HD23 ' A' ' 155' ' ' LEU . 2.1 t80 -60.2 -44.7 94.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.626 . . . . 5.02 110.92 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -60.01 -35.81 75.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.884 -0.598 . . . . 5.24 110.872 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -63.89 -39.73 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 7.3 110.899 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 9.4 t -67.99 -44.6 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 5.54 110.867 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 151' ' ' PHE . 3.6 mm? -68.18 -38.58 82.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 5.01 110.812 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.52 -41.23 76.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 6.73 110.683 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -28.81 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.026 -0.534 . . . . 7.17 110.724 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 42.87 76.85 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.062 -0.517 . . . . 6.08 111.622 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -106.5 113.94 27.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 9.63 110.645 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.695 HG12 HD22 ' A' ' 56' ' ' LEU . 28.2 m -77.0 116.05 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 6.96 111.348 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 160' ' ' VAL . 1.0 OUTLIER 24.28 -103.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.908 -0.587 . . . . 8.78 112.116 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 134.24 0.01 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.973 0.416 . . . . 12.01 111.282 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.616 ' O ' HD12 ' A' ' 163' ' ' ILE . 1.2 pp -105.35 130.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 10.56 111.096 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.195 -0.907 . . . . 12.81 112.046 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 112.733 0.642 . . . . 7.93 112.733 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -29.87 5.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.53 -0.304 . . . . 8.83 110.931 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -59.9 -45.51 92.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.418 -0.355 . . . . 10.13 110.387 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -35.76 76.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 9.72 110.16 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -36.69 77.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.605 . . . . 6.97 110.479 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -43.78 97.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 9.03 110.547 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.65 -48.55 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 8.81 110.464 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -65.48 -37.7 87.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.959 -0.564 . . . . 6.87 110.335 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -66.96 -26.52 66.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.823 -0.626 . . . . 8.23 110.816 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -47.01 87.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 12.56 111.059 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -63.78 -47.04 82.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 10.22 110.809 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -99.42 30.51 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 9.34 110.694 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -78.64 152.52 31.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.497 . . . . 9.68 110.981 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.85 101.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 7.11 110.54 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.8 mm -81.87 140.07 17.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 121.617 0.723 . . . . 7.93 111.72 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.05 23.48 0.69 Allowed Glycine 0 C--N 1.317 -0.522 0 CA-C-N 114.59 -1.186 . . . . 6.6 112.566 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -61.07 -41.29 96.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 7.58 110.609 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' A' ' 49' ' ' SER . 1.9 m-20 179.77 34.24 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 107.635 -1.246 . . . . 5.4 107.635 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.772 ' HA ' ' HB3' ' A' ' 49' ' ' SER . 29.3 mm -73.21 136.81 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 CA-C-N 113.483 -1.689 . . . . 5.03 111.855 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.892 HG13 HD13 ' A' ' 93' ' ' LEU . 4.1 t -104.62 -51.94 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 CA-C-N 115.003 -0.999 . . . . 3.48 110.218 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.569 ' SG ' HD12 ' A' ' 48' ' ' LEU . 7.8 p -163.57 158.66 20.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 3.17 110.107 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 137.86 54.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 6.49 111.406 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.619 HG22 HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -102.63 122.54 55.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 3.82 110.686 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.561 HG23 HG12 ' A' ' 45' ' ' ILE . 19.0 mt -129.81 119.82 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 4.95 111.489 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' HA ' HD13 ' A' ' 143' ' ' LEU . 47.8 t -83.92 127.61 33.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.429 -0.35 . . . . 4.76 110.544 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.21 -25.45 16.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 5.18 111.468 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.498 HG21 ' H ' ' A' ' 142' ' ' SER . 34.8 p -79.68 -1.96 40.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 4.92 111.488 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.3 74.65 0.44 Allowed Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.706 -0.759 . . . . 5.13 112.713 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.478 ' CB ' HD11 ' A' ' 141' ' ' LEU . 10.8 mt-30 -146.12 -44.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 4.77 111.065 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.604 ' CD1' HD22 ' A' ' 78' ' ' LEU . 2.8 mt -114.7 140.44 25.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 4.6 110.894 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 59.0 Cg_endo -74.54 144.85 32.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.244 1.962 . . . . 5.54 112.155 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.561 HG12 HG23 ' A' ' 37' ' ' ILE . 37.1 mt -58.64 145.68 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 5.72 111.483 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.19 164.15 30.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.863 -0.608 . . . . 5.77 110.244 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -116.44 119.41 35.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.069 0.462 . . . . 6.23 111.718 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.86 HD22 ' CD1' ' A' ' 66' ' ' TRP . 8.7 mt -96.78 137.1 36.38 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.722 -0.844 . . . . 3.51 108.722 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.772 ' HB3' ' HA ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -153.59 160.8 42.55 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 114.286 1.217 . . . . 4.25 114.286 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.65 ' N ' HG23 ' A' ' 33' ' ' VAL . . . -145.07 145.62 31.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.498 -1.683 . . . . 3.78 110.275 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.749 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -74.91 132.87 41.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.205 0.526 . . . . 4.96 111.265 -179.387 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.54 -42.29 94.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.369 -0.832 . . . . 4.92 112.266 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -41.99 78.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.979 -0.555 . . . . 5.55 111.007 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.539 ' HG3' ' CB ' ' A' ' 51' ' ' ASP . 1.7 mt-30 -68.99 -37.24 78.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.585 -0.734 . . . . 5.17 110.789 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 51' ' ' ASP . 39.4 t -68.03 -47.36 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 3.66 111.051 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.695 HD22 HG12 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -70.97 -26.56 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 4.87 110.887 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -80.59 -48.1 13.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 5.57 110.946 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -70.16 120.06 15.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 4.64 111.01 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 28.83 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 7.01 110.817 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -95.61 -176.88 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 7.04 110.907 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 t -97.43 36.76 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 5.64 110.969 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.727 HD11 HG22 ' A' ' 65' ' ' VAL . 8.9 tp -178.1 146.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 3.89 111.134 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.592 ' HG2' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -123.14 -62.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 3.88 110.801 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 49' ' ' SER . 7.6 ttpt -148.89 136.26 20.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 3.77 110.95 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.727 HG22 HD11 ' A' ' 62' ' ' ILE . 4.4 t -123.29 138.95 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.234 0.54 . . . . 2.67 112.065 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.86 ' CD1' HD22 ' A' ' 48' ' ' LEU . 15.4 m-90 -102.75 139.36 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.405 -0.816 . . . . 2.8 111.929 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' HG3' ' A' ' 90' ' ' GLN . 0.2 OUTLIER -113.86 130.21 56.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.769 -0.456 . . . . 3.25 109.769 177.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CZ ' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -117.96 145.97 44.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.058 -0.519 . . . . 2.72 110.953 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.61 ' HA3' ' O ' ' A' ' 86' ' ' ASN . . . 159.33 -167.45 35.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.331 -0.938 . . . . 3.64 113.228 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 mtp85 -79.84 2.61 22.5 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.711 0.263 . . . . 5.35 111.711 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -84.34 128.74 60.68 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 120.539 0.209 . . . . 5.63 111.075 -179.525 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.414 ' HA ' ' CD2' ' A' ' 77' ' ' HIS . 20.2 Cg_exo -65.72 -13.33 39.31 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.362 2.041 . . . . 5.96 111.707 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.96 -42.53 16.17 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 121.766 0.793 . . . . 5.3 109.025 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -39.33 137.68 0.74 Allowed 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 113.954 -1.475 . . . . 4.39 110.801 179.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.5 m-20 -55.17 -18.05 5.22 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.568 -0.742 . . . . 3.97 110.067 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.499 ' CE2' HG21 ' A' ' 43' ' ' ILE . 4.4 t80 -130.09 117.47 20.03 Favored 'General case' 0 C--N 1.338 0.088 0 CA-C-N 116.502 -0.317 . . . . 3.81 110.676 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' A' ' 72' ' ' PRO . 2.1 t-160 -97.6 113.06 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 5.46 111.153 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.604 HD22 ' CD1' ' A' ' 43' ' ' ILE . 5.7 mt -85.04 -167.91 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 4.77 110.584 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.66 -82.53 0.53 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.661 -0.781 . . . . 4.9 112.37 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.6 p30 175.58 72.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 6.14 110.694 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 141' ' ' LEU . 2.9 mt -110.98 114.73 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 4.35 111.327 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.96 -31.29 60.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 5.33 111.125 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -29.74 69.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 5.58 110.771 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD21 HG23 ' A' ' 132' ' ' VAL . 16.3 mt -94.86 152.16 18.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 4.22 110.855 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.7 p -92.86 163.95 13.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.484 -0.326 . . . . 4.3 111.506 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.61 ' O ' ' HA3' ' A' ' 69' ' ' GLY . 2.6 m-20 -42.11 -52.44 4.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.469 0.652 . . . . 5.66 109.903 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.513 ' HB3' HG22 ' A' ' 67' ' ' THR . 9.8 mttt -120.0 82.03 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.931 -1.507 . . . . 4.98 106.931 177.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 105' ' ' SER . 12.5 t60 -60.77 -45.98 92.22 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.209 -0.905 . . . . 3.12 112.762 -177.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' CE2' ' CG ' ' A' ' 68' ' ' PHE . 24.8 p90 -145.9 160.69 41.45 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.185 -0.606 . . . . 2.41 112.008 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.66 ' HG3' HG23 ' A' ' 67' ' ' THR . 4.0 tt0 -136.14 142.16 44.18 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.041 -0.527 . . . . 3.28 111.198 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.638 HD12 ' CZ ' ' A' ' 68' ' ' PHE . 76.4 mt -116.35 130.1 71.7 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 120.972 -0.291 . . . . 1.48 110.927 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 102' ' ' ASN . 0.7 OUTLIER -111.47 147.27 35.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.426 . . . . 2.8 111.476 -179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.892 HD13 HG13 ' A' ' 33' ' ' VAL . 3.6 tp -125.21 123.53 39.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.762 -0.654 . . . . 2.43 110.635 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.66 -159.75 10.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 3.29 112.301 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 58.84 -162.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.692 0.282 . . . . 6.27 110.832 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.09 57.62 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 5.47 111.192 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.11 -23.41 31.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.687 -0.768 . . . . 3.76 112.971 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -56.49 139.55 48.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 4.31 111.023 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -106.93 152.58 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 2.49 110.825 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 99' ' ' LEU . 4.0 mp -133.13 146.81 51.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 3.24 110.491 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.075 HD21 HD13 ' A' ' 124' ' ' LEU . 1.4 mt -112.71 125.93 54.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 2.79 110.216 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.457 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 50.4 t30 -116.86 115.33 25.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 3.47 111.799 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.832 ' OD2' HG23 ' A' ' 116' ' ' VAL . 8.2 p30 -77.89 141.32 39.16 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.788 -0.449 . . . . 3.87 109.788 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' A' ' 87' ' ' LYS . 9.5 pt -148.34 39.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.726 -0.215 . . . . 3.87 111.537 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.674 ' HB2' ' H ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -98.62 150.64 21.53 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 121.064 0.459 . . . . 4.5 112.034 -178.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.0 m -69.49 -30.96 68.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.621 -0.718 . . . . 5.61 109.865 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -98.16 -20.36 17.35 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.828 0.677 . . . . 5.13 112.828 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.674 ' H ' ' HB2' ' A' ' 105' ' ' SER . . . 119.6 155.49 9.75 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 120.328 -0.939 . . . . 4.21 113.606 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.501 ' HB ' ' HB3' ' A' ' 103' ' ' ASP . 11.0 m -117.9 138.51 52.09 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.602 -0.518 . . . . 3.5 109.602 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.874 ' CE2' ' HB2' ' A' ' 115' ' ' LYS . 2.7 m-90 -116.83 149.09 40.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.468 0.914 . . . . 4.58 113.468 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -124.29 112.11 16.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.844 -1.071 . . . . 4.11 108.407 177.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 45.0 43.0 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.002 -0.545 . . . . 4.79 112.18 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.25 -9.08 76.55 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 120.813 -0.708 . . . . 4.9 113.39 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -105.32 117.24 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.958 0.409 . . . . 6.54 110.876 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.874 ' HB2' ' CE2' ' A' ' 110' ' ' TRP . 9.4 tptt -72.66 122.97 22.31 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.774 -0.648 . . . . 5.14 111.179 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.832 HG23 ' OD2' ' A' ' 103' ' ' ASP . 12.7 m -95.87 164.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.575 . . . . 4.58 111.213 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 120' ' ' SER . 6.0 tt0 -69.83 127.22 32.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 6.87 110.587 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.69 ' HA ' ' CG ' ' A' ' 103' ' ' ASP . 88.5 tttt -53.43 162.28 0.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.832 0.349 . . . . 5.47 110.675 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 103' ' ' ASP . 12.5 m-80 33.43 35.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.627 -0.715 . . . . 5.61 112.26 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -113.38 145.1 41.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.648 -0.706 . . . . 4.85 111.008 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.685 ' HB3' HD23 ' A' ' 100' ' ' LEU . 18.2 m120 -87.84 130.77 34.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 4.25 111.114 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 39.0 mm-40 -129.64 147.63 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 4.31 110.52 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.3 tp -72.53 113.42 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.414 -0.357 . . . . 4.33 110.347 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 1.075 HD13 HD21 ' A' ' 101' ' ' LEU . 68.4 tp -53.18 157.51 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.335 0.588 . . . . 3.46 111.553 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.43 ' H ' HD12 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -124.74 153.78 41.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.167 -0.924 . . . . 4.21 110.433 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 147' ' ' ILE . 1.0 OUTLIER -70.36 123.3 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 5.45 110.19 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.9 21.05 54.91 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.714 -0.755 . . . . 4.28 112.136 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -54.0 172.53 0.08 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.928 0.394 . . . . 3.69 111.034 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.635 ' HG3' HG22 ' A' ' 144' ' ' VAL . 24.9 tt0 -145.12 135.01 23.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.988 -0.551 . . . . 4.44 111.175 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 110' ' ' TRP . 18.3 mt -115.32 128.57 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 116.22 -0.446 . . . . 2.5 110.523 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.65 HG22 ' CG2' ' A' ' 140' ' ' ILE . 3.0 m -103.36 142.46 34.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 3.36 110.134 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.524 ' HB ' ' CE1' ' A' ' 88' ' ' HIS . 33.1 m -140.44 158.5 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.14 0.495 . . . . 3.11 112.201 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.0 43.25 9.99 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.705 -0.679 . . . . 3.86 111.929 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.508 ' HA ' HG12 ' A' ' 140' ' ' ILE . 57.0 t -83.62 140.74 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 121.69 0.757 . . . . 4.57 112.391 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 151.82 -38.4 0.8 Allowed Glycine 0 N--CA 1.436 -1.325 0 N-CA-C 109.88 -1.288 . . . . 5.36 109.88 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 138' ' ' SER . 48.8 t -126.78 123.06 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 114.624 -0.788 . . . . 5.2 109.141 177.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -49.87 -31.44 12.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.801 0.334 . . . . 5.96 111.382 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.531 ' H ' HG12 ' A' ' 136' ' ' VAL . 1.8 m -93.93 7.05 46.48 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 112.38 0.511 . . . . 5.42 112.38 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -126.41 26.61 6.34 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 113.321 0.86 . . . . 5.18 113.321 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.65 ' CG2' HG22 ' A' ' 131' ' ' THR . 4.4 mt -107.44 140.09 26.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 115.58 -0.736 . . . . 4.27 111.227 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.478 HD11 ' CB ' ' A' ' 42' ' ' GLN . 1.8 tt -124.77 134.7 52.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.399 -0.819 . . . . 3.43 110.582 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.528 ' O ' HD22 ' A' ' 143' ' ' LEU . 46.7 t -110.03 150.95 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 3.66 112.468 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 142' ' ' SER . 2.1 mm? -136.64 139.25 41.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.698 -1.137 . . . . 3.01 110.63 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.635 HG22 ' HG3' ' A' ' 129' ' ' GLU . 23.7 t -111.14 133.68 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.819 0.343 . . . . 3.98 111.332 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 38.3 mt -105.38 130.81 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 CA-C-N 116.179 -0.464 . . . . 3.51 110.869 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.52 119.96 37.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 5.79 111.116 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.513 HG12 HD21 ' A' ' 124' ' ' LEU . 5.9 mt -86.08 134.27 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 4.69 111.221 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . 0.456 ' HB2' HG22 ' A' ' 32' ' ' ILE . 5.8 t30 -75.93 114.33 14.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 5.45 110.907 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -34.17 76.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 6.55 110.851 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -46.16 90.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.083 0.468 . . . . 7.82 110.716 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.444 ' CE1' HD23 ' A' ' 155' ' ' LEU . 2.1 t80 -60.2 -44.7 94.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.626 . . . . 5.02 110.92 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -60.01 -35.81 75.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.884 -0.598 . . . . 5.24 110.872 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -63.89 -39.73 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 7.3 110.899 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 9.4 t -67.99 -44.6 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 5.54 110.867 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 151' ' ' PHE . 3.6 mm? -68.18 -38.58 82.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 5.01 110.812 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.52 -41.23 76.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 6.73 110.683 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -28.81 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.026 -0.534 . . . . 7.17 110.724 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 42.87 76.85 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.062 -0.517 . . . . 6.08 111.622 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -106.5 113.94 27.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 9.63 110.645 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.695 HG12 HD22 ' A' ' 56' ' ' LEU . 28.2 m -77.0 116.05 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 6.96 111.348 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 160' ' ' VAL . 1.0 OUTLIER 24.28 -103.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.908 -0.587 . . . . 8.78 112.116 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 134.24 0.01 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.973 0.416 . . . . 12.01 111.282 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.616 ' O ' HD12 ' A' ' 163' ' ' ILE . 1.2 pp -105.35 130.17 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 10.56 111.096 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.195 -0.907 . . . . 12.81 112.046 -179.961 . . . . . . . . 1 1 . 1 stop_ save_