data_1pij_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 1pij _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.401 0 CA-C-O 117.042 -1.456 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m -80.02 68.1 6.03 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.161 0.891 . . . . 0.0 109.632 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -61.68 135.42 94.22 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-O 119.365 -0.35 . . . . 0.0 110.895 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.64 155.07 59.47 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.908 2.405 . . . . 0.0 111.125 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -60.68 127.65 32.72 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.685 1.194 . . . . 0.0 110.625 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.54 139.09 57.44 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.126 1.37 . . . . 0.0 111.781 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -77.34 148.17 35.76 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.04 125.41 23.48 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 166.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.87 23.18 78.2 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.193 -1.337 . . . . 0.0 113.477 -173.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -43.57 -54.47 4.9 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 119.736 1.768 . . . . 0.0 111.146 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.11 169.64 21.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.462 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 60.8 m-70 52.86 38.11 25.93 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.148 0.979 . . . . 0.0 113.602 166.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 54.96 29.45 12.23 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.139 0.976 . . . . 0.0 111.869 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -64.32 145.77 55.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.041 -0.412 . . . . 0.0 111.542 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -129.18 145.06 36.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.392 1.077 . . . . 0.0 108.436 170.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -73.18 -33.32 65.36 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.84 1.256 . . . . 0.0 111.805 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.91 111.91 24.63 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 170.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.63 -49.55 4.15 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.498 1.119 . . . . 0.0 110.981 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.09 -35.61 62.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.134 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -46.41 -43.23 16.17 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 119.497 1.044 . . . . 0.0 110.938 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.25 11.82 1.4 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 112.546 -173.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.9 m -52.96 -29.08 26.8 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 120.861 1.664 . . . . 0.0 114.18 173.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.24 -29.41 72.93 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.635 1.112 . . . . 0.0 112.407 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -79.51 115.84 56.27 Favored Pre-proline 0 CA--C 1.537 0.459 0 C-N-CA 126.234 1.814 . . . . 0.0 109.13 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -49.04 -44.54 32.44 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.78 2.32 . . . . 0.0 114.294 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -69.19 -11.02 60.44 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -72.19 85.8 1.06 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -70.2 150.01 46.91 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 166.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.38 129.99 37.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.104 1.361 . . . . 0.0 111.734 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.76 5.7 69.96 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-O 119.264 -0.742 . . . . 0.0 112.926 170.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -66.24 119.08 10.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 167.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.81 149.09 49.86 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.7 m -44.9 -43.76 9.15 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.749 0.704 . . . . 0.0 110.479 171.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -51.52 -33.13 30.47 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -109.61 24.78 12.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.088 1.355 . . . . 0.0 112.089 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.85 138.96 30.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.487 1.115 . . . . 0.0 109.098 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.79 -18.12 53.33 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.325 -0.86 . . . . 0.0 112.467 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -101.31 11.53 39.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.741 0.816 . . . . 0.0 111.858 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -58.58 141.13 53.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 118.435 0.561 . . . . 0.0 110.138 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.14 -105.14 1.21 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 166.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -141.06 162.42 35.53 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.33 143.89 51.86 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.816 0.697 . . . . 0.0 109.175 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.08 -56.17 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.566 1.147 . . . . 0.0 108.848 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -159.51 152.7 22.15 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.312 0.645 . . . . 0.0 111.656 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 28.36 53.97 0.08 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.784 2.434 . . . . 0.0 116.385 172.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.32 19.93 77.71 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 123.682 0.658 . . . . 0.0 113.282 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -118.45 145.75 45.0 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.829 2.051 . . . . 0.0 109.148 172.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.08 179.53 31.91 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 124.027 0.822 . . . . 0.0 111.158 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -89.21 148.0 23.86 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.9 t -117.15 112.18 20.5 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.964 1.706 . . . . 0.0 108.018 174.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.0 p -82.38 53.67 2.36 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.307 0.643 . . . . 0.0 112.565 -161.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -131.91 141.97 43.47 Favored Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 120.999 -1.063 . . . . 0.0 108.992 172.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -47.77 -60.23 0.95 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.623 2.882 . . . . 0.0 113.374 -175.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -76.35 46.35 0.42 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.793 1.237 . . . . 0.0 111.155 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.462 ' CE2' ' CD2' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -159.32 -58.48 0.07 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.962 0.905 . . . . 0.0 110.032 -178.208 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -54.91 -21.52 11.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.254 1.021 . . . . 0.0 112.062 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -29.36 -50.02 0.09 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.389 1.875 . . . . 0.0 112.645 161.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.93 155.18 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 125.006 1.323 . . . . 0.0 108.398 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.4 tp -84.9 126.22 33.3 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.5 m -94.05 150.13 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 118.898 0.772 . . . . 0.0 109.233 -175.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -66.91 132.73 48.59 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 170.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.88 67.84 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.542 0.337 . . . . 0.0 110.346 175.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -83.0 1.57 39.24 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.101 0.96 . . . . 0.0 112.908 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.14 -173.18 45.59 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -160.58 160.9 32.34 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 p -146.81 168.07 22.32 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.61 0.764 . . . . 0.0 112.521 172.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.8 p -62.8 -34.85 78.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.857 -0.592 . . . . 0.0 112.492 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.286 1.1 m -72.43 -0.96 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 118.976 0.807 . . . . 0.0 112.449 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -44.22 131.82 5.96 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.368 0.985 . . . . 0.0 111.296 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.09 138.61 33.33 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 166.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.97 144.98 66.3 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 121.838 1.692 . . . . 0.0 110.277 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.32 64.34 8.6 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.0 -1.476 . . . . 0.0 109.035 175.608 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.401 0 CA-C-O 117.042 -1.456 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m -80.02 68.1 6.03 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.161 0.891 . . . . 0.0 109.632 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -61.68 135.42 94.22 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-O 119.365 -0.35 . . . . 0.0 110.895 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.64 155.07 59.47 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.908 2.405 . . . . 0.0 111.125 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -60.68 127.65 32.72 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.685 1.194 . . . . 0.0 110.625 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.54 139.09 57.44 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.126 1.37 . . . . 0.0 111.781 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -77.34 148.17 35.76 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.04 125.41 23.48 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 166.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.87 23.18 78.2 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.193 -1.337 . . . . 0.0 113.477 -173.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -43.57 -54.47 4.9 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 119.736 1.768 . . . . 0.0 111.146 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.11 169.64 21.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.462 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 60.8 m-70 52.86 38.11 25.93 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.148 0.979 . . . . 0.0 113.602 166.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 54.96 29.45 12.23 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.139 0.976 . . . . 0.0 111.869 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -64.32 145.77 55.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.041 -0.412 . . . . 0.0 111.542 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -129.18 145.06 36.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.392 1.077 . . . . 0.0 108.436 170.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -73.18 -33.32 65.36 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.84 1.256 . . . . 0.0 111.805 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.91 111.91 24.63 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 170.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.63 -49.55 4.15 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.498 1.119 . . . . 0.0 110.981 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.09 -35.61 62.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.134 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -46.41 -43.23 16.17 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 119.497 1.044 . . . . 0.0 110.938 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.25 11.82 1.4 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 112.546 -173.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.9 m -52.96 -29.08 26.8 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 120.861 1.664 . . . . 0.0 114.18 173.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.24 -29.41 72.93 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.635 1.112 . . . . 0.0 112.407 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -79.51 115.84 56.27 Favored Pre-proline 0 CA--C 1.537 0.459 0 C-N-CA 126.234 1.814 . . . . 0.0 109.13 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -49.04 -44.54 32.44 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.78 2.32 . . . . 0.0 114.294 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -69.19 -11.02 60.44 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -72.19 85.8 1.06 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -70.2 150.01 46.91 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 166.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.38 129.99 37.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.104 1.361 . . . . 0.0 111.734 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.76 5.7 69.96 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-O 119.264 -0.742 . . . . 0.0 112.926 170.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.24 119.08 10.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 167.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.81 149.09 49.86 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.7 m -44.9 -43.76 9.15 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.749 0.704 . . . . 0.0 110.479 171.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -51.52 -33.13 30.47 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -109.61 24.78 12.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.088 1.355 . . . . 0.0 112.089 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.85 138.96 30.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.487 1.115 . . . . 0.0 109.098 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.79 -18.12 53.33 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.325 -0.86 . . . . 0.0 112.467 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -101.31 11.53 39.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.741 0.816 . . . . 0.0 111.858 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -58.58 141.13 53.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 118.435 0.561 . . . . 0.0 110.138 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.14 -105.14 1.21 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 166.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -141.06 162.42 35.53 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.33 143.89 51.86 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.816 0.697 . . . . 0.0 109.175 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.08 -56.17 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.566 1.147 . . . . 0.0 108.848 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -159.51 152.7 22.15 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.312 0.645 . . . . 0.0 111.656 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 28.36 53.97 0.08 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.784 2.434 . . . . 0.0 116.385 172.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.32 19.93 77.71 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 123.682 0.658 . . . . 0.0 113.282 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -118.45 145.75 45.0 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.829 2.051 . . . . 0.0 109.148 172.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.08 179.53 31.91 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 124.027 0.822 . . . . 0.0 111.158 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -89.21 148.0 23.86 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.9 t -117.15 112.18 20.5 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.964 1.706 . . . . 0.0 108.018 174.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.0 p -82.38 53.67 2.36 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.307 0.643 . . . . 0.0 112.565 -161.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -131.91 141.97 43.47 Favored Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 120.999 -1.063 . . . . 0.0 108.992 172.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -47.77 -60.23 0.95 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.623 2.882 . . . . 0.0 113.374 -175.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -76.35 46.35 0.42 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.793 1.237 . . . . 0.0 111.155 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.462 ' CE2' ' CD2' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -159.32 -58.48 0.07 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.962 0.905 . . . . 0.0 110.032 -178.208 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -54.91 -21.52 11.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.254 1.021 . . . . 0.0 112.062 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -29.36 -50.02 0.09 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.389 1.875 . . . . 0.0 112.645 161.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.93 155.18 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 125.006 1.323 . . . . 0.0 108.398 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.4 tp -84.9 126.22 33.3 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.5 m -94.05 150.13 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 118.898 0.772 . . . . 0.0 109.233 -175.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -66.91 132.73 48.59 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 170.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.88 67.84 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.542 0.337 . . . . 0.0 110.346 175.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -83.0 1.57 39.24 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.101 0.96 . . . . 0.0 112.908 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.14 -173.18 45.59 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -160.58 160.9 32.34 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 p -146.81 168.07 22.32 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.61 0.764 . . . . 0.0 112.521 172.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.8 p -62.8 -34.85 78.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.857 -0.592 . . . . 0.0 112.492 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.286 1.1 m -72.43 -0.96 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 118.976 0.807 . . . . 0.0 112.449 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -44.22 131.82 5.96 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.368 0.985 . . . . 0.0 111.296 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.09 138.61 33.33 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 166.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.97 144.98 66.3 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 121.838 1.692 . . . . 0.0 110.277 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.32 64.34 8.6 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.0 -1.476 . . . . 0.0 109.035 175.608 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.401 0 CA-C-O 117.042 -1.456 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m -80.02 68.1 6.03 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.161 0.891 . . . . 0.0 109.632 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -61.68 135.42 94.22 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-O 119.365 -0.35 . . . . 0.0 110.895 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.64 155.07 59.47 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.908 2.405 . . . . 0.0 111.125 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -60.68 127.65 32.72 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.685 1.194 . . . . 0.0 110.625 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.54 139.09 57.44 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.126 1.37 . . . . 0.0 111.781 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -77.34 148.17 35.76 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.04 125.41 23.48 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 166.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.87 23.18 78.2 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.193 -1.337 . . . . 0.0 113.477 -173.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -43.57 -54.47 4.9 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 119.736 1.768 . . . . 0.0 111.146 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.11 169.64 21.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.462 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 60.8 m-70 52.86 38.11 25.93 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.148 0.979 . . . . 0.0 113.602 166.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 54.96 29.45 12.23 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.139 0.976 . . . . 0.0 111.869 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -64.32 145.77 55.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.041 -0.412 . . . . 0.0 111.542 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -129.18 145.06 36.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 124.392 1.077 . . . . 0.0 108.436 170.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -73.18 -33.32 65.36 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.84 1.256 . . . . 0.0 111.805 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.91 111.91 24.63 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 170.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.63 -49.55 4.15 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.498 1.119 . . . . 0.0 110.981 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.09 -35.61 62.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.134 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -46.41 -43.23 16.17 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 119.497 1.044 . . . . 0.0 110.938 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.25 11.82 1.4 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 112.546 -173.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.9 m -52.96 -29.08 26.8 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 120.861 1.664 . . . . 0.0 114.18 173.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.24 -29.41 72.93 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.635 1.112 . . . . 0.0 112.407 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -79.51 115.84 56.27 Favored Pre-proline 0 CA--C 1.537 0.459 0 C-N-CA 126.234 1.814 . . . . 0.0 109.13 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -49.04 -44.54 32.44 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.78 2.32 . . . . 0.0 114.294 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -69.19 -11.02 60.44 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -72.19 85.8 1.06 Allowed 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -70.2 150.01 46.91 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 166.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.38 129.99 37.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.104 1.361 . . . . 0.0 111.734 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.76 5.7 69.96 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-O 119.264 -0.742 . . . . 0.0 112.926 170.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -66.24 119.08 10.88 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 167.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.81 149.09 49.86 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.7 m -44.9 -43.76 9.15 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.749 0.704 . . . . 0.0 110.479 171.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -51.52 -33.13 30.47 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -109.61 24.78 12.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.088 1.355 . . . . 0.0 112.089 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.85 138.96 30.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.487 1.115 . . . . 0.0 109.098 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.79 -18.12 53.33 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.325 -0.86 . . . . 0.0 112.467 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -101.31 11.53 39.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.741 0.816 . . . . 0.0 111.858 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -58.58 141.13 53.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 118.435 0.561 . . . . 0.0 110.138 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.14 -105.14 1.21 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 166.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -141.06 162.42 35.53 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.33 143.89 51.86 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.816 0.697 . . . . 0.0 109.175 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.08 -56.17 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.566 1.147 . . . . 0.0 108.848 -175.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -159.51 152.7 22.15 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.312 0.645 . . . . 0.0 111.656 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 28.36 53.97 0.08 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.784 2.434 . . . . 0.0 116.385 172.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.32 19.93 77.71 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 123.682 0.658 . . . . 0.0 113.282 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -118.45 145.75 45.0 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.829 2.051 . . . . 0.0 109.148 172.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.08 179.53 31.91 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 124.027 0.822 . . . . 0.0 111.158 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -89.21 148.0 23.86 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.9 t -117.15 112.18 20.5 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.964 1.706 . . . . 0.0 108.018 174.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.0 p -82.38 53.67 2.36 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.307 0.643 . . . . 0.0 112.565 -161.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -131.91 141.97 43.47 Favored Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 120.999 -1.063 . . . . 0.0 108.992 172.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -47.77 -60.23 0.95 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.623 2.882 . . . . 0.0 113.374 -175.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -76.35 46.35 0.42 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.793 1.237 . . . . 0.0 111.155 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.462 ' CE2' ' CD2' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -159.32 -58.48 0.07 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.962 0.905 . . . . 0.0 110.032 -178.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -54.91 -21.52 11.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.254 1.021 . . . . 0.0 112.062 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -29.36 -50.02 0.09 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 126.389 1.875 . . . . 0.0 112.645 161.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.93 155.18 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 125.006 1.323 . . . . 0.0 108.398 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.4 tp -84.9 126.22 33.3 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.5 m -94.05 150.13 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 118.898 0.772 . . . . 0.0 109.233 -175.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -66.91 132.73 48.59 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 170.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.88 67.84 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.542 0.337 . . . . 0.0 110.346 175.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -83.0 1.57 39.24 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.101 0.96 . . . . 0.0 112.908 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.14 -173.18 45.59 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -160.58 160.9 32.34 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 p -146.81 168.07 22.32 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.61 0.764 . . . . 0.0 112.521 172.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.8 p -62.8 -34.85 78.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.857 -0.592 . . . . 0.0 112.492 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.286 1.1 m -72.43 -0.96 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 118.976 0.807 . . . . 0.0 112.449 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -44.22 131.82 5.96 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.368 0.985 . . . . 0.0 111.296 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.09 138.61 33.33 Favored Pre-proline 0 N--CA 1.453 -0.321 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 166.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -67.97 144.98 66.3 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 121.838 1.692 . . . . 0.0 110.277 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.32 64.34 8.6 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.0 -1.476 . . . . 0.0 109.035 175.608 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_