data_2mmu_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 2mmu _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 30' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.514 2.734 0 CA-C-O 122.56 1.171 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.3 t -74.36 -41.69 50.16 Favored 'Isoleucine or valine' 0 C--O 1.269 2.093 0 CA-C-N 112.68 -2.055 . . . . 0.0 114.983 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -64.9 -45.32 86.4 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 124.401 2.048 . . . . 0.0 109.002 170.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -63.05 -45.44 92.24 Favored 'General case' 0 N--CA 1.487 1.381 1 O-C-N 114.701 -4.999 . . . . 0.0 108.538 -174.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -58.79 -44.47 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 120.103 -1.623 . . . . 0.0 114.092 172.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.0 m -58.08 -42.77 86.3 Favored 'General case' 0 N--CA 1.419 -1.996 0 N-CA-C 114.798 1.406 . . . . 0.0 114.798 171.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.8 tp -61.38 -44.32 97.36 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 119.562 -1.961 . . . . 0.0 107.961 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -61.87 -40.46 95.43 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.118 2.567 . . . . 0.0 116.947 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.3 -45.66 85.08 Favored 'Isoleucine or valine' 0 C--N 1.38 1.895 0 O-C-N 119.289 -2.132 . . . . 0.0 109.805 163.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.47 -39.15 93.97 Favored Glycine 0 C--O 1.275 2.663 0 O-C-N 117.092 -3.505 . . . . 0.0 113.662 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.7 mt -64.5 -41.78 96.24 Favored 'General case' 0 CA--C 1.463 -2.397 0 N-CA-C 118.72 2.859 . . . . 0.0 118.72 171.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.7 mmt -55.56 -39.64 70.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.795 2.438 . . . . 0.0 115.335 167.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.318 16.0 mt -65.54 -43.67 89.19 Favored 'General case' 0 N--CA 1.393 -3.317 0 C-N-CA 124.355 1.062 . . . . 0.0 111.66 166.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.37 1.3 tt -65.7 -42.21 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.187 0 CA-C-O 125.57 2.605 . . . . 0.0 110.819 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.72 -43.37 59.87 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 128.12 2.771 . . . . 0.0 116.467 168.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.7 tp -62.22 -44.91 95.5 Favored 'General case' 0 C--O 1.203 -1.378 0 O-C-N 117.226 -3.514 . . . . 0.0 118.659 162.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.303 93.8 mt -58.04 -43.11 84.42 Favored 'Isoleucine or valine' 0 C--N 1.397 2.647 0 O-C-N 116.426 -3.921 . . . . 0.0 115.585 172.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -55.21 -37.61 67.34 Favored 'General case' 0 C--N 1.399 2.742 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . 0.471 18.6 mt -63.33 -41.31 98.89 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 127.178 2.191 . . . . 0.0 113.614 167.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 17.8 mmt -69.57 -27.8 65.43 Favored 'General case' 0 C--O 1.277 2.545 0 N-CA-C 117.377 2.362 . . . . 0.0 117.377 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.24 -57.89 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.993 0 CA-C-N 119.102 0.865 . . . . 0.0 112.91 169.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -100.33 -10.68 20.99 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 119.649 3.203 . . . . 0.0 119.649 -168.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -135.67 -28.4 1.11 Allowed 'General case' 0 C--N 1.388 2.258 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -164.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 mt . . . . . 0 N--CA 1.414 -2.242 0 CA-C-O 114.526 -2.654 . . . . 0.0 111.747 -170.54 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.528 3.433 0 CA-C-O 126.224 2.916 . . . . 0.0 117.109 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -38.45 -58.9 1.64 Allowed Glycine 0 N--CA 1.419 -2.461 0 N-CA-C 122.836 3.894 . . . . 0.0 122.836 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -71.74 -31.51 12.99 Favored 'Trans proline' 0 N--CA 1.482 0.842 0 CA-C-O 118.568 -0.68 . . . . 0.0 113.593 -171.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 60.3 t-105 -62.65 -41.19 98.91 Favored 'General case' 0 N--CA 1.522 3.141 0 CA-C-O 124.882 2.277 . . . . 0.0 114.467 165.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -66.28 -44.12 84.46 Favored 'General case' 0 C--N 1.384 2.073 1 O-C-N 116.069 -4.144 . . . . 0.0 108.381 -176.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -71.12 -31.94 68.37 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 127.931 2.492 . . . . 0.0 113.891 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.96 84.07 Favored 'General case' 0 N--CA 1.528 3.461 0 O-C-N 120.037 -1.665 . . . . 0.0 113.883 168.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.8 mt -65.29 -37.2 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 O-C-N 119.518 -1.989 . . . . 0.0 110.12 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.36 88.92 Favored 'General case' 0 N--CA 1.419 -2.02 0 CA-C-N 114.463 -1.244 . . . . 0.0 112.92 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.21 -41.63 89.87 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 125.89 2.757 . . . . 0.0 115.242 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.54 88.67 Favored 'General case' 0 N--CA 1.416 -2.149 0 O-C-N 117.767 -3.083 . . . . 0.0 111.901 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -66.18 -22.35 66.35 Favored 'General case' 0 C--N 1.384 2.099 0 O-C-N 120.484 -1.385 . . . . 0.0 114.499 167.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.6 mmt -63.56 -43.11 97.98 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 116.917 -3.614 . . . . 0.0 112.187 164.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.6 mt -60.52 -48.29 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 127.957 2.503 . . . . 0.0 108.317 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.2 m -62.86 -39.54 94.73 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 125.947 2.784 . . . . 0.0 112.994 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.88 -47.94 88.01 Favored Glycine 1 C--N 1.41 4.639 1 CA-C-O 129.26 4.811 . . . . 0.0 118.215 176.893 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.6 -39.17 91.25 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 108.806 -3.697 . . . . 0.0 111.865 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 tt -58.85 -47.32 85.29 Favored 'General case' 0 N--CA 1.526 3.365 0 O-C-N 116.839 -3.663 . . . . 0.0 111.687 -174.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.01 -43.39 77.68 Favored 'General case' 0 N--CA 1.389 -3.522 0 C-N-CA 126.42 1.888 . . . . 0.0 112.881 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.9 p -60.2 -36.91 78.71 Favored 'General case' 0 C--N 1.427 3.948 0 O-C-N 118.235 -2.791 . . . . 0.0 110.792 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.9 mmt -87.44 -11.93 47.63 Favored 'General case' 0 CA--C 1.485 -1.557 0 O-C-N 117.273 -3.392 . . . . 0.0 115.713 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 53.6 tpt85 -39.05 -44.1 1.08 Allowed 'General case' 0 CA--C 1.585 2.315 0 O-C-N 119.15 -2.219 . . . . 0.0 115.302 159.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -102.23 153.27 20.12 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 127.904 3.252 . . . . 0.0 109.52 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' CE1' HD11 ' A' ' 94' ' ' LEU 0.349 23.9 t60 -146.18 150.91 36.74 Favored 'General case' 0 C--O 1.293 3.355 0 O-C-N 119.479 -2.013 . . . . 0.0 112.915 -173.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.447 HD11 ' CE1' ' A' ' 93' ' ' HIS . 5.9 mp -31.53 144.52 0.01 OUTLIER 'General case' 0 C--N 1.405 3.015 0 C-N-CA 128.155 2.582 . . . . 0.0 112.007 158.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 . . . . . 0 N--CA 1.496 1.831 0 O-C-N 117.026 -3.546 . . . . 0.0 112.267 173.642 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.514 2.734 0 CA-C-O 122.56 1.171 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.3 t -74.36 -41.69 50.16 Favored 'Isoleucine or valine' 0 C--O 1.269 2.093 0 CA-C-N 112.68 -2.055 . . . . 0.0 114.983 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -64.9 -45.32 86.4 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 124.401 2.048 . . . . 0.0 109.002 170.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -63.05 -45.44 92.24 Favored 'General case' 0 N--CA 1.487 1.381 1 O-C-N 114.701 -4.999 . . . . 0.0 108.538 -174.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -58.79 -44.47 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 120.103 -1.623 . . . . 0.0 114.092 172.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.0 m -58.08 -42.77 86.3 Favored 'General case' 0 N--CA 1.419 -1.996 0 N-CA-C 114.798 1.406 . . . . 0.0 114.798 171.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.8 tp -61.38 -44.32 97.36 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 119.562 -1.961 . . . . 0.0 107.961 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -61.87 -40.46 95.43 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.118 2.567 . . . . 0.0 116.947 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.3 -45.66 85.08 Favored 'Isoleucine or valine' 0 C--N 1.38 1.895 0 O-C-N 119.289 -2.132 . . . . 0.0 109.805 163.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.47 -39.15 93.97 Favored Glycine 0 C--O 1.275 2.663 0 O-C-N 117.092 -3.505 . . . . 0.0 113.662 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.7 mt -64.5 -41.78 96.24 Favored 'General case' 0 CA--C 1.463 -2.397 0 N-CA-C 118.72 2.859 . . . . 0.0 118.72 171.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.7 mmt -55.56 -39.64 70.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.795 2.438 . . . . 0.0 115.335 167.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.318 16.0 mt -65.54 -43.67 89.19 Favored 'General case' 0 N--CA 1.393 -3.317 0 C-N-CA 124.355 1.062 . . . . 0.0 111.66 166.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.37 1.3 tt -65.7 -42.21 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.187 0 CA-C-O 125.57 2.605 . . . . 0.0 110.819 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.72 -43.37 59.87 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 128.12 2.771 . . . . 0.0 116.467 168.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.7 tp -62.22 -44.91 95.5 Favored 'General case' 0 C--O 1.203 -1.378 0 O-C-N 117.226 -3.514 . . . . 0.0 118.659 162.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.303 93.8 mt -58.04 -43.11 84.42 Favored 'Isoleucine or valine' 0 C--N 1.397 2.647 0 O-C-N 116.426 -3.921 . . . . 0.0 115.585 172.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -55.21 -37.61 67.34 Favored 'General case' 0 C--N 1.399 2.742 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . 0.471 18.6 mt -63.33 -41.31 98.89 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 127.178 2.191 . . . . 0.0 113.614 167.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 17.8 mmt -69.57 -27.8 65.43 Favored 'General case' 0 C--O 1.277 2.545 0 N-CA-C 117.377 2.362 . . . . 0.0 117.377 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.24 -57.89 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.993 0 CA-C-N 119.102 0.865 . . . . 0.0 112.91 169.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -100.33 -10.68 20.99 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 119.649 3.203 . . . . 0.0 119.649 -168.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -135.67 -28.4 1.11 Allowed 'General case' 0 C--N 1.388 2.258 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -164.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 mt . . . . . 0 N--CA 1.414 -2.242 0 CA-C-O 114.526 -2.654 . . . . 0.0 111.747 -170.54 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.528 3.433 0 CA-C-O 126.224 2.916 . . . . 0.0 117.109 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -38.45 -58.9 1.64 Allowed Glycine 0 N--CA 1.419 -2.461 0 N-CA-C 122.836 3.894 . . . . 0.0 122.836 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -71.74 -31.51 12.99 Favored 'Trans proline' 0 N--CA 1.482 0.842 0 CA-C-O 118.568 -0.68 . . . . 0.0 113.593 -171.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.56 ' CE2' HD11 ' A' ' 77' ' ' ILE . 60.3 t-105 -62.65 -41.19 98.91 Favored 'General case' 0 N--CA 1.522 3.141 0 CA-C-O 124.882 2.277 . . . . 0.0 114.467 165.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -66.28 -44.12 84.46 Favored 'General case' 0 C--N 1.384 2.073 1 O-C-N 116.069 -4.144 . . . . 0.0 108.381 -176.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -71.12 -31.94 68.37 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 127.931 2.492 . . . . 0.0 113.891 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.96 84.07 Favored 'General case' 0 N--CA 1.528 3.461 0 O-C-N 120.037 -1.665 . . . . 0.0 113.883 168.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.56 HD11 ' CE2' ' A' ' 73' ' ' TRP . 6.8 mt -65.29 -37.2 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 O-C-N 119.518 -1.989 . . . . 0.0 110.12 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.36 88.92 Favored 'General case' 0 N--CA 1.419 -2.02 0 CA-C-N 114.463 -1.244 . . . . 0.0 112.92 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.21 -41.63 89.87 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 125.89 2.757 . . . . 0.0 115.242 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.54 88.67 Favored 'General case' 0 N--CA 1.416 -2.149 0 O-C-N 117.767 -3.083 . . . . 0.0 111.901 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -66.18 -22.35 66.35 Favored 'General case' 0 C--N 1.384 2.099 0 O-C-N 120.484 -1.385 . . . . 0.0 114.499 167.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.6 mmt -63.56 -43.11 97.98 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 116.917 -3.614 . . . . 0.0 112.187 164.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.6 mt -60.52 -48.29 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 127.957 2.503 . . . . 0.0 108.317 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.2 m -62.86 -39.54 94.73 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 125.947 2.784 . . . . 0.0 112.994 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.88 -47.94 88.01 Favored Glycine 1 C--N 1.41 4.639 1 CA-C-O 129.26 4.811 . . . . 0.0 118.215 176.893 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.6 -39.17 91.25 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 108.806 -3.697 . . . . 0.0 111.865 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 tt -58.85 -47.32 85.29 Favored 'General case' 0 N--CA 1.526 3.365 0 O-C-N 116.839 -3.663 . . . . 0.0 111.687 -174.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.01 -43.39 77.68 Favored 'General case' 0 N--CA 1.389 -3.522 0 C-N-CA 126.42 1.888 . . . . 0.0 112.881 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.9 p -60.2 -36.91 78.71 Favored 'General case' 0 C--N 1.427 3.948 0 O-C-N 118.235 -2.791 . . . . 0.0 110.792 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.9 mmt -87.44 -11.93 47.63 Favored 'General case' 0 CA--C 1.485 -1.557 0 O-C-N 117.273 -3.392 . . . . 0.0 115.713 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 53.6 tpt85 -39.05 -44.1 1.08 Allowed 'General case' 0 CA--C 1.585 2.315 0 O-C-N 119.15 -2.219 . . . . 0.0 115.302 159.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -102.23 153.27 20.12 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 127.904 3.252 . . . . 0.0 109.52 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.46 ' CE1' HD13 ' A' ' 94' ' ' LEU 0.349 23.9 t60 -146.18 150.91 36.74 Favored 'General case' 0 C--O 1.293 3.355 0 O-C-N 119.479 -2.013 . . . . 0.0 112.915 -173.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 93' ' ' HIS . 5.9 mp -31.53 144.52 0.01 OUTLIER 'General case' 0 C--N 1.405 3.015 0 C-N-CA 128.155 2.582 . . . . 0.0 112.007 158.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 . . . . . 0 N--CA 1.496 1.831 0 O-C-N 117.026 -3.546 . . . . 0.0 112.267 173.642 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.514 2.734 0 CA-C-O 122.56 1.171 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.3 t -74.36 -41.69 50.16 Favored 'Isoleucine or valine' 0 C--O 1.269 2.093 0 CA-C-N 112.68 -2.055 . . . . 0.0 114.983 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -64.9 -45.32 86.4 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 124.401 2.048 . . . . 0.0 109.002 170.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -63.05 -45.44 92.24 Favored 'General case' 0 N--CA 1.487 1.381 1 O-C-N 114.701 -4.999 . . . . 0.0 108.538 -174.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -58.79 -44.47 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 O-C-N 120.103 -1.623 . . . . 0.0 114.092 172.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.0 m -58.08 -42.77 86.3 Favored 'General case' 0 N--CA 1.419 -1.996 0 N-CA-C 114.798 1.406 . . . . 0.0 114.798 171.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.8 tp -61.38 -44.32 97.36 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 119.562 -1.961 . . . . 0.0 107.961 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -61.87 -40.46 95.43 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.118 2.567 . . . . 0.0 116.947 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.3 -45.66 85.08 Favored 'Isoleucine or valine' 0 C--N 1.38 1.895 0 O-C-N 119.289 -2.132 . . . . 0.0 109.805 163.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.47 -39.15 93.97 Favored Glycine 0 C--O 1.275 2.663 0 O-C-N 117.092 -3.505 . . . . 0.0 113.662 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.7 mt -64.5 -41.78 96.24 Favored 'General case' 0 CA--C 1.463 -2.397 0 N-CA-C 118.72 2.859 . . . . 0.0 118.72 171.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.7 mmt -55.56 -39.64 70.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.795 2.438 . . . . 0.0 115.335 167.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.318 16.0 mt -65.54 -43.67 89.19 Favored 'General case' 0 N--CA 1.393 -3.317 0 C-N-CA 124.355 1.062 . . . . 0.0 111.66 166.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.37 1.3 tt -65.7 -42.21 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.187 0 CA-C-O 125.57 2.605 . . . . 0.0 110.819 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.72 -43.37 59.87 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 128.12 2.771 . . . . 0.0 116.467 168.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.7 tp -62.22 -44.91 95.5 Favored 'General case' 0 C--O 1.203 -1.378 0 O-C-N 117.226 -3.514 . . . . 0.0 118.659 162.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . 0.303 93.8 mt -58.04 -43.11 84.42 Favored 'Isoleucine or valine' 0 C--N 1.397 2.647 0 O-C-N 116.426 -3.921 . . . . 0.0 115.585 172.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -55.21 -37.61 67.34 Favored 'General case' 0 C--N 1.399 2.742 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . 0.471 18.6 mt -63.33 -41.31 98.89 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 127.178 2.191 . . . . 0.0 113.614 167.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 17.8 mmt -69.57 -27.8 65.43 Favored 'General case' 0 C--O 1.277 2.545 0 N-CA-C 117.377 2.362 . . . . 0.0 117.377 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.24 -57.89 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.993 0 CA-C-N 119.102 0.865 . . . . 0.0 112.91 169.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -100.33 -10.68 20.99 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 119.649 3.203 . . . . 0.0 119.649 -168.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -135.67 -28.4 1.11 Allowed 'General case' 0 C--N 1.388 2.258 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -164.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 mt . . . . . 0 N--CA 1.414 -2.242 0 CA-C-O 114.526 -2.654 . . . . 0.0 111.747 -170.54 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.528 3.433 0 CA-C-O 126.224 2.916 . . . . 0.0 117.109 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -38.45 -58.9 1.64 Allowed Glycine 0 N--CA 1.419 -2.461 0 N-CA-C 122.836 3.894 . . . . 0.0 122.836 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -71.74 -31.51 12.99 Favored 'Trans proline' 0 N--CA 1.482 0.842 0 CA-C-O 118.568 -0.68 . . . . 0.0 113.593 -171.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.56 ' CE2' HD11 ' A' ' 77' ' ' ILE . 60.3 t-105 -62.65 -41.19 98.91 Favored 'General case' 0 N--CA 1.522 3.141 0 CA-C-O 124.882 2.277 . . . . 0.0 114.467 165.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -66.28 -44.12 84.46 Favored 'General case' 0 C--N 1.384 2.073 1 O-C-N 116.069 -4.144 . . . . 0.0 108.381 -176.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -71.12 -31.94 68.37 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 127.931 2.492 . . . . 0.0 113.891 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.96 84.07 Favored 'General case' 0 N--CA 1.528 3.461 0 O-C-N 120.037 -1.665 . . . . 0.0 113.883 168.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.56 HD11 ' CE2' ' A' ' 73' ' ' TRP . 6.8 mt -65.29 -37.2 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 O-C-N 119.518 -1.989 . . . . 0.0 110.12 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.36 88.92 Favored 'General case' 0 N--CA 1.419 -2.02 0 CA-C-N 114.463 -1.244 . . . . 0.0 112.92 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.21 -41.63 89.87 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 125.89 2.757 . . . . 0.0 115.242 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.54 88.67 Favored 'General case' 0 N--CA 1.416 -2.149 0 O-C-N 117.767 -3.083 . . . . 0.0 111.901 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -66.18 -22.35 66.35 Favored 'General case' 0 C--N 1.384 2.099 0 O-C-N 120.484 -1.385 . . . . 0.0 114.499 167.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.6 mmt -63.56 -43.11 97.98 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 116.917 -3.614 . . . . 0.0 112.187 164.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.6 mt -60.52 -48.29 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 127.957 2.503 . . . . 0.0 108.317 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.2 m -62.86 -39.54 94.73 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 125.947 2.784 . . . . 0.0 112.994 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.88 -47.94 88.01 Favored Glycine 1 C--N 1.41 4.639 1 CA-C-O 129.26 4.811 . . . . 0.0 118.215 176.893 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.6 -39.17 91.25 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 108.806 -3.697 . . . . 0.0 111.865 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 tt -58.85 -47.32 85.29 Favored 'General case' 0 N--CA 1.526 3.365 0 O-C-N 116.839 -3.663 . . . . 0.0 111.687 -174.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.01 -43.39 77.68 Favored 'General case' 0 N--CA 1.389 -3.522 0 C-N-CA 126.42 1.888 . . . . 0.0 112.881 174.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.9 p -60.2 -36.91 78.71 Favored 'General case' 0 C--N 1.427 3.948 0 O-C-N 118.235 -2.791 . . . . 0.0 110.792 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.9 mmt -87.44 -11.93 47.63 Favored 'General case' 0 CA--C 1.485 -1.557 0 O-C-N 117.273 -3.392 . . . . 0.0 115.713 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 53.6 tpt85 -39.05 -44.1 1.08 Allowed 'General case' 0 CA--C 1.585 2.315 0 O-C-N 119.15 -2.219 . . . . 0.0 115.302 159.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -102.23 153.27 20.12 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 127.904 3.252 . . . . 0.0 109.52 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.46 ' CE1' HD13 ' A' ' 94' ' ' LEU 0.349 23.9 t60 -146.18 150.91 36.74 Favored 'General case' 0 C--O 1.293 3.355 0 O-C-N 119.479 -2.013 . . . . 0.0 112.915 -173.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 93' ' ' HIS . 5.9 mp -31.53 144.52 0.01 OUTLIER 'General case' 0 C--N 1.405 3.015 0 C-N-CA 128.155 2.582 . . . . 0.0 112.007 158.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 . . . . . 0 N--CA 1.496 1.831 0 O-C-N 117.026 -3.546 . . . . 0.0 112.267 173.642 . . . . . . . . 0 0 . 1 stop_ save_