data_1i5u_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 1i5u _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 ' 3' ' ' ALA . . . . . . . . . . . . 2.388 . . . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.81 153.25 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 105.284 -2.117 . . . . 10.0 105.284 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -100.73 140.57 34.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.376 -1.342 . . . . 10.0 107.376 171.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -98.29 134.3 41.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 107.483 -1.303 . . . . 10.0 107.483 177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -124.29 144.91 49.72 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 118.634 0.652 . . . . 10.0 110.066 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.1 142.69 31.07 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.008 1.723 . . . . 10.0 110.335 -173.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.25 -42.11 73.04 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.224 0.61 . . . . 10.0 110.779 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -39.81 -59.21 1.21 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.262 1.425 . . . . 10.0 111.082 167.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.29 -56.1 26.36 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mm -48.92 -42.45 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -59.4 -27.35 65.92 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.503 0.927 . . . . 10.0 113.503 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -75.26 -25.53 58.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.715 0.689 . . . . 10.0 110.353 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.436 ' HD1' ' CB ' ' A' ' 20' ' ' SER . 91.1 m-70 -95.79 62.89 2.33 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 123.486 0.715 . . . . 10.0 109.316 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -131.54 36.79 3.73 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.891 1.071 . . . . 10.0 113.891 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -161.14 -172.0 3.26 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.802 -1.186 . . . . 10.0 110.587 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -50.1 -42.44 50.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.431 1.092 . . . . 10.0 113.778 -175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -65.93 -23.04 66.53 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.436 ' CB ' ' HD1' ' A' ' 15' ' ' HIS . 5.0 m -168.93 106.54 0.43 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.747 -1.205 . . . . 10.0 107.747 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.3 m -108.67 89.51 3.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.187 -1.042 . . . . 10.0 108.187 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -115.38 146.92 41.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.794 1.238 . . . . 10.0 107.941 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.9 162.57 39.58 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.506 -1.294 . . . . 10.0 107.506 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.98 129.4 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 107.488 -1.301 . . . . 10.0 107.488 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 2.7 mm? -126.14 128.6 47.57 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 105.97 -1.863 . . . . 10.0 105.97 160.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 50.08 35.01 9.12 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.802 1.241 . . . . 10.0 113.479 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 66.44 27.47 9.85 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.421 2.288 . . . . 10.0 114.402 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.23 156.99 40.99 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 123.666 0.786 . . . . 10.0 110.537 170.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.0 t -104.83 114.88 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 C-N-CA 125.637 1.575 . . . . 10.0 108.722 -169.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 28.8 m-85 -108.57 112.36 24.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 -176.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.0 108.8 12.74 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.4 mt -107.13 17.06 23.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.349 -0.611 . . . . 10.0 109.349 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.6 m -57.13 -48.23 79.18 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.514 0.597 . . . . 10.0 110.8 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -87.94 17.63 4.77 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.2 -0.312 . . . . 10.0 111.786 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -116.12 -14.22 11.16 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.837 1.255 . . . . 10.0 111.242 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.8 mt -43.3 -56.79 3.33 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.28 1.032 . . . . 10.0 112.74 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.51 -36.03 81.27 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.066 0.946 . . . . 10.0 111.523 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -73.87 -41.77 61.72 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.727 0.811 . . . . 10.0 110.952 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -56.94 114.71 8.53 Favored Pre-proline 0 N--CA 1.449 -0.517 0 C-N-CA 123.23 0.612 . . . . 10.0 111.269 -170.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -61.76 -29.12 82.73 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.739 2.293 . . . . 10.0 111.436 -173.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.34 -6.39 47.59 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-O 118.704 -1.053 . . . . 10.0 113.698 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.41 163.3 39.22 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 119.404 1.602 . . . . 10.0 110.517 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.24 -44.9 20.87 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.13 1.372 . . . . 10.0 111.697 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.71 -35.13 73.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.928 0.491 . . . . 10.0 111.146 -173.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.52 -43.79 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 O-C-N 121.649 -0.657 . . . . 10.0 110.327 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -53.57 12.36 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -54.78 -36.03 64.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.17 0.988 . . . . 10.0 111.835 -172.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.87 71.09 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.109 0.964 . . . . 10.0 112.295 172.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -89.88 -20.63 23.18 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.434 0.694 . . . . 10.0 111.416 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.12 148.39 8.25 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.453 0.701 . . . . 10.0 111.887 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.93 -24.23 6.19 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.271 -0.738 . . . . 10.0 111.902 -165.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.41 -174.97 19.12 Favored Glycine 0 C--N 1.338 0.667 0 CA-C-N 118.395 1.098 . . . . 10.0 110.478 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.11 142.22 30.54 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 169.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.05 16.63 5.11 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.905 0.882 . . . . 10.0 111.965 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.6 m -47.9 -56.4 7.65 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.824 0.738 . . . . 10.0 110.31 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.58 -47.19 63.61 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.537 0.335 . . . . 10.0 111.734 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -62.83 -46.04 89.79 Favored 'General case' 0 CA--C 1.528 0.103 0 O-C-N 122.149 -0.344 . . . . 10.0 110.552 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.42 -43.79 96.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -74.56 -39.21 62.42 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.844 0.858 . . . . 10.0 110.648 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.49 77.82 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.799 -0.563 . . . . 10.0 111.084 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.53 -10.03 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 123.042 0.537 . . . . 10.0 111.715 175.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.22 -70.87 2.73 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.527 -1.429 . . . . 10.0 109.527 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m80 62.66 118.62 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.868 1.667 . . . . 10.0 111.367 -173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -55.16 154.27 5.9 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.201 -0.937 . . . . 10.0 111.771 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.5 m -42.06 -46.14 4.14 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 124.258 1.023 . . . . 10.0 110.322 170.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -44.34 94.84 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.327 1.851 . . . . 10.0 110.078 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 -48.41 80.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -55.15 -47.97 74.36 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.974 0.91 . . . . 10.0 110.762 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -57.82 -50.08 74.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.838 1.255 . . . . 10.0 109.752 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 tp -55.34 -42.8 74.3 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.848 0.859 . . . . 10.0 110.046 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -48.74 -37.67 19.5 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.648 -0.657 . . . . 10.0 112.234 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -55.55 -40.28 71.7 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 119.022 0.828 . . . . 10.0 111.102 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -56.39 -23.46 38.18 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.306 0.642 . . . . 10.0 111.821 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -101.84 -6.96 22.94 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.471 1.108 . . . . 10.0 112.373 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mt -64.18 108.2 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.631 -1.248 . . . . 10.0 107.631 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.2 pt -99.37 -15.82 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.661 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.61 179.05 48.81 Favored Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.305 -0.718 . . . . 10.0 111.305 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -99.7 164.66 11.96 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.575 0.75 . . . . 10.0 110.632 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.83 130.75 44.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.902 0.881 . . . . 10.0 108.87 168.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -55.4 136.32 69.58 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 118.885 0.766 . . . . 10.0 110.902 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.17 -35.4 95.22 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 121.74 1.626 . . . . 10.0 112.575 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.93 -29.08 18.66 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.228 0.611 . . . . 10.0 112.388 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -96.75 -5.2 39.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.5 1.12 . . . . 10.0 111.951 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.428 -1.272 . . . . 10.0 112.22 -165.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . 2.388 . . . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.81 153.25 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 105.284 -2.117 . . . . 10.0 105.284 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -100.73 140.57 34.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.376 -1.342 . . . . 10.0 107.376 171.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -98.29 134.3 41.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 107.483 -1.303 . . . . 10.0 107.483 177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -124.29 144.91 49.72 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 118.634 0.652 . . . . 10.0 110.066 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.1 142.69 31.07 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.008 1.723 . . . . 10.0 110.335 -173.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.25 -42.11 73.04 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.224 0.61 . . . . 10.0 110.779 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -39.81 -59.21 1.21 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.262 1.425 . . . . 10.0 111.082 167.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.29 -56.1 26.36 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mm -48.92 -42.45 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -59.4 -27.35 65.92 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.503 0.927 . . . . 10.0 113.503 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -75.26 -25.53 58.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.715 0.689 . . . . 10.0 110.353 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -95.79 62.89 2.33 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 123.486 0.715 . . . . 10.0 109.316 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -131.54 36.79 3.73 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.891 1.071 . . . . 10.0 113.891 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -161.14 -172.0 3.26 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.802 -1.186 . . . . 10.0 110.587 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -50.1 -42.44 50.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.431 1.092 . . . . 10.0 113.778 -175.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -65.93 -23.04 66.53 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 m -168.93 106.54 0.43 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.747 -1.205 . . . . 10.0 107.747 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.3 m -108.67 89.51 3.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.187 -1.042 . . . . 10.0 108.187 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -115.38 146.92 41.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.794 1.238 . . . . 10.0 107.941 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -148.9 162.57 39.58 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.506 -1.294 . . . . 10.0 107.506 -178.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.98 129.4 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 107.488 -1.301 . . . . 10.0 107.488 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 2.7 mm? -126.14 128.6 47.57 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 105.97 -1.863 . . . . 10.0 105.97 160.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 50.08 35.01 9.12 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.802 1.241 . . . . 10.0 113.479 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 66.44 27.47 9.85 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.421 2.288 . . . . 10.0 114.402 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.23 156.99 40.99 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 123.666 0.786 . . . . 10.0 110.537 170.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.0 t -104.83 114.88 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 C-N-CA 125.637 1.575 . . . . 10.0 108.722 -169.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 28.8 m-85 -108.57 112.36 24.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 -176.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.0 108.8 12.74 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.531 HD21 ' HAB' ' A' ' 201' ' ' HEM . 26.4 mt -107.13 17.06 23.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.349 -0.611 . . . . 10.0 109.349 175.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.6 m -57.13 -48.23 79.18 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.514 0.597 . . . . 10.0 110.8 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -87.94 17.63 4.77 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.2 -0.312 . . . . 10.0 111.786 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -116.12 -14.22 11.16 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.837 1.255 . . . . 10.0 111.242 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.8 mt -43.3 -56.79 3.33 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.28 1.032 . . . . 10.0 112.74 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.51 -36.03 81.27 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.066 0.946 . . . . 10.0 111.523 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -73.87 -41.77 61.72 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.727 0.811 . . . . 10.0 110.952 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -56.94 114.71 8.53 Favored Pre-proline 0 N--CA 1.449 -0.517 0 C-N-CA 123.23 0.612 . . . . 10.0 111.269 -170.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -61.76 -29.12 82.73 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.739 2.293 . . . . 10.0 111.436 -173.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.34 -6.39 47.59 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-O 118.704 -1.053 . . . . 10.0 113.698 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.41 163.3 39.22 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 119.404 1.602 . . . . 10.0 110.517 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.24 -44.9 20.87 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.13 1.372 . . . . 10.0 111.697 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.71 -35.13 73.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.928 0.491 . . . . 10.0 111.146 -173.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.52 -43.79 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 O-C-N 121.649 -0.657 . . . . 10.0 110.327 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -53.57 12.36 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -54.78 -36.03 64.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.17 0.988 . . . . 10.0 111.835 -172.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.87 71.09 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.109 0.964 . . . . 10.0 112.295 172.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -89.88 -20.63 23.18 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.434 0.694 . . . . 10.0 111.416 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.12 148.39 8.25 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.453 0.701 . . . . 10.0 111.887 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.93 -24.23 6.19 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.271 -0.738 . . . . 10.0 111.902 -165.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.41 -174.97 19.12 Favored Glycine 0 C--N 1.338 0.667 0 CA-C-N 118.395 1.098 . . . . 10.0 110.478 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.11 142.22 30.54 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 169.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.05 16.63 5.11 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.905 0.882 . . . . 10.0 111.965 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.6 m -47.9 -56.4 7.65 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.824 0.738 . . . . 10.0 110.31 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.58 -47.19 63.61 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.537 0.335 . . . . 10.0 111.734 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -62.83 -46.04 89.79 Favored 'General case' 0 CA--C 1.528 0.103 0 O-C-N 122.149 -0.344 . . . . 10.0 110.552 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.42 -43.79 96.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -74.56 -39.21 62.42 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.844 0.858 . . . . 10.0 110.648 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.49 77.82 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.799 -0.563 . . . . 10.0 111.084 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.53 -10.03 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 123.042 0.537 . . . . 10.0 111.715 175.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.22 -70.87 2.73 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.527 -1.429 . . . . 10.0 109.527 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m80 62.66 118.62 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.868 1.667 . . . . 10.0 111.367 -173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -55.16 154.27 5.9 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.201 -0.937 . . . . 10.0 111.771 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.5 m -42.06 -46.14 4.14 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 124.258 1.023 . . . . 10.0 110.322 170.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -44.34 94.84 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.327 1.851 . . . . 10.0 110.078 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 -48.41 80.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -55.15 -47.97 74.36 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.974 0.91 . . . . 10.0 110.762 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -57.82 -50.08 74.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.838 1.255 . . . . 10.0 109.752 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 tp -55.34 -42.8 74.3 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.848 0.859 . . . . 10.0 110.046 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -48.74 -37.67 19.5 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.648 -0.657 . . . . 10.0 112.234 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -55.55 -40.28 71.7 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 119.022 0.828 . . . . 10.0 111.102 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -56.39 -23.46 38.18 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.306 0.642 . . . . 10.0 111.821 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -101.84 -6.96 22.94 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.471 1.108 . . . . 10.0 112.373 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mt -64.18 108.2 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.631 -1.248 . . . . 10.0 107.631 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.2 pt -99.37 -15.82 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.661 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.61 179.05 48.81 Favored Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.305 -0.718 . . . . 10.0 111.305 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -99.7 164.66 11.96 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.575 0.75 . . . . 10.0 110.632 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.83 130.75 44.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.902 0.881 . . . . 10.0 108.87 168.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -55.4 136.32 69.58 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 118.885 0.766 . . . . 10.0 110.902 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.17 -35.4 95.22 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 121.74 1.626 . . . . 10.0 112.575 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.93 -29.08 18.66 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.228 0.611 . . . . 10.0 112.388 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -96.75 -5.2 39.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.5 1.12 . . . . 10.0 111.951 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.428 -1.272 . . . . 10.0 112.22 -165.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HEM . . . . . 0.531 ' HAB' HD21 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . 2.388 . . . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 106.802 -1.555 . . . . 10.0 106.802 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.81 153.25 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 105.284 -2.117 . . . . 10.0 105.284 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -100.73 140.57 34.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.376 -1.342 . . . . 10.0 107.376 171.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -98.29 134.3 41.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 107.483 -1.303 . . . . 10.0 107.483 177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -124.29 144.91 49.72 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 118.634 0.652 . . . . 10.0 110.066 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.1 142.69 31.07 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.008 1.723 . . . . 10.0 110.335 -173.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.25 -42.11 73.04 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.224 0.61 . . . . 10.0 110.779 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -39.81 -59.21 1.21 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.262 1.425 . . . . 10.0 111.082 167.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.29 -56.1 26.36 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mm -48.92 -42.45 14.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -59.4 -27.35 65.92 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.503 0.927 . . . . 10.0 113.503 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -75.26 -25.53 58.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.715 0.689 . . . . 10.0 110.353 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -95.79 62.89 2.33 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 123.486 0.715 . . . . 10.0 109.316 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -131.54 36.79 3.73 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.891 1.071 . . . . 10.0 113.891 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -161.14 -172.0 3.26 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.802 -1.186 . . . . 10.0 110.587 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -50.1 -42.44 50.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.431 1.092 . . . . 10.0 113.778 -175.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -65.93 -23.04 66.53 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 m -168.93 106.54 0.43 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.747 -1.205 . . . . 10.0 107.747 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.3 m -108.67 89.51 3.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.187 -1.042 . . . . 10.0 108.187 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -115.38 146.92 41.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.794 1.238 . . . . 10.0 107.941 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -148.9 162.57 39.58 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.506 -1.294 . . . . 10.0 107.506 -178.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.98 129.4 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 107.488 -1.301 . . . . 10.0 107.488 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 2.7 mm? -126.14 128.6 47.57 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 105.97 -1.863 . . . . 10.0 105.97 160.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 50.08 35.01 9.12 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.802 1.241 . . . . 10.0 113.479 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 66.44 27.47 9.85 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.421 2.288 . . . . 10.0 114.402 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.23 156.99 40.99 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 123.666 0.786 . . . . 10.0 110.537 170.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.0 t -104.83 114.88 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 C-N-CA 125.637 1.575 . . . . 10.0 108.722 -169.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 28.8 m-85 -108.57 112.36 24.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 -176.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.0 108.8 12.74 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.531 HD21 ' HAB' ' A' ' 201' ' ' HEM . 26.4 mt -107.13 17.06 23.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.349 -0.611 . . . . 10.0 109.349 175.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.6 m -57.13 -48.23 79.18 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.514 0.597 . . . . 10.0 110.8 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -87.94 17.63 4.77 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.2 -0.312 . . . . 10.0 111.786 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -116.12 -14.22 11.16 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.837 1.255 . . . . 10.0 111.242 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.8 mt -43.3 -56.79 3.33 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.28 1.032 . . . . 10.0 112.74 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.51 -36.03 81.27 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.066 0.946 . . . . 10.0 111.523 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -73.87 -41.77 61.72 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.727 0.811 . . . . 10.0 110.952 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -56.94 114.71 8.53 Favored Pre-proline 0 N--CA 1.449 -0.517 0 C-N-CA 123.23 0.612 . . . . 10.0 111.269 -170.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -61.76 -29.12 82.73 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.739 2.293 . . . . 10.0 111.436 -173.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.34 -6.39 47.59 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-O 118.704 -1.053 . . . . 10.0 113.698 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.41 163.3 39.22 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 119.404 1.602 . . . . 10.0 110.517 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.24 -44.9 20.87 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.13 1.372 . . . . 10.0 111.697 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.71 -35.13 73.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.928 0.491 . . . . 10.0 111.146 -173.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.52 -43.79 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 O-C-N 121.649 -0.657 . . . . 10.0 110.327 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -53.57 12.36 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.817 -0.809 . . . . 10.0 108.817 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -54.78 -36.03 64.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.17 0.988 . . . . 10.0 111.835 -172.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.87 71.09 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.109 0.964 . . . . 10.0 112.295 172.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -89.88 -20.63 23.18 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.434 0.694 . . . . 10.0 111.416 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.12 148.39 8.25 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.453 0.701 . . . . 10.0 111.887 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.93 -24.23 6.19 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.271 -0.738 . . . . 10.0 111.902 -165.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.41 -174.97 19.12 Favored Glycine 0 C--N 1.338 0.667 0 CA-C-N 118.395 1.098 . . . . 10.0 110.478 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.11 142.22 30.54 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 169.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.05 16.63 5.11 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.905 0.882 . . . . 10.0 111.965 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.6 m -47.9 -56.4 7.65 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.824 0.738 . . . . 10.0 110.31 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.58 -47.19 63.61 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.537 0.335 . . . . 10.0 111.734 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -62.83 -46.04 89.79 Favored 'General case' 0 CA--C 1.528 0.103 0 O-C-N 122.149 -0.344 . . . . 10.0 110.552 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.42 -43.79 96.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -74.56 -39.21 62.42 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.844 0.858 . . . . 10.0 110.648 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.49 77.82 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.799 -0.563 . . . . 10.0 111.084 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.53 -10.03 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 123.042 0.537 . . . . 10.0 111.715 175.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.22 -70.87 2.73 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.527 -1.429 . . . . 10.0 109.527 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m80 62.66 118.62 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.868 1.667 . . . . 10.0 111.367 -173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -55.16 154.27 5.9 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.201 -0.937 . . . . 10.0 111.771 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.5 m -42.06 -46.14 4.14 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 124.258 1.023 . . . . 10.0 110.322 170.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -44.34 94.84 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.327 1.851 . . . . 10.0 110.078 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 -48.41 80.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -55.15 -47.97 74.36 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.974 0.91 . . . . 10.0 110.762 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -57.82 -50.08 74.47 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.838 1.255 . . . . 10.0 109.752 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 tp -55.34 -42.8 74.3 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.848 0.859 . . . . 10.0 110.046 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -48.74 -37.67 19.5 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.648 -0.657 . . . . 10.0 112.234 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -55.55 -40.28 71.7 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 119.022 0.828 . . . . 10.0 111.102 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -56.39 -23.46 38.18 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.306 0.642 . . . . 10.0 111.821 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -101.84 -6.96 22.94 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.471 1.108 . . . . 10.0 112.373 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mt -64.18 108.2 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.631 -1.248 . . . . 10.0 107.631 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.2 pt -99.37 -15.82 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.661 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.61 179.05 48.81 Favored Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.305 -0.718 . . . . 10.0 111.305 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -99.7 164.66 11.96 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.575 0.75 . . . . 10.0 110.632 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.83 130.75 44.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.902 0.881 . . . . 10.0 108.87 168.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -55.4 136.32 69.58 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 118.885 0.766 . . . . 10.0 110.902 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.17 -35.4 95.22 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 121.74 1.626 . . . . 10.0 112.575 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.93 -29.08 18.66 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.228 0.611 . . . . 10.0 112.388 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -96.75 -5.2 39.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.5 1.12 . . . . 10.0 111.951 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.428 -1.272 . . . . 10.0 112.22 -165.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HEM . . . . . 0.531 ' HAB' HD21 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_