data_1arr_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 1arr _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -60.15 -37.85 81.35 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.692 1.197 . . . . 0.0 112.731 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -134.47 55.62 0.73 Allowed Glycine 0 N--CA 1.48 1.601 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 168.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 30.23 62.22 0.18 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -165.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 p -105.07 65.42 0.73 Allowed 'General case' 0 C--N 1.318 -0.802 1 CA-C-N 107.041 -4.618 . . . . 0.0 110.951 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -94.16 84.98 4.54 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 109.308 -3.587 . . . . 0.0 115.074 -170.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.2 tpp -151.19 84.73 5.2 Favored Pre-proline 0 N--CA 1.49 1.53 1 CA-C-N 107.302 -4.499 . . . . 0.0 112.119 -173.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -87.02 145.96 7.62 Favored 'Trans proline' 0 N--CA 1.48 0.723 0 C-N-CA 125.184 3.923 . . . . 0.0 110.859 168.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -103.52 131.81 50.32 Favored 'General case' 0 CA--C 1.557 1.22 1 CA-C-N 106.652 -4.795 . . . . 0.0 110.633 177.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -144.16 151.6 39.76 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.172 1.389 . . . . 0.0 111.905 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -101.57 137.42 39.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.268 1.427 . . . . 0.0 111.382 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.1 mt -118.41 145.86 44.88 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 110.392 -3.094 . . . . 0.0 113.684 173.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 0.393 0.0 OUTLIER -130.18 111.44 12.43 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.944 0.793 . . . . 0.0 110.995 177.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -131.63 155.69 81.1 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 125.597 1.811 . . . . 0.0 109.03 -172.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.06 143.1 99.93 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 121.864 1.71 . . . . 0.0 114.341 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 1.286 31.7 ttm-85 -35.9 -47.83 0.54 Allowed 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 128.19 2.596 . . . . 0.0 114.986 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -69.11 -28.78 66.78 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -76.27 -42.01 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 114.122 -1.399 . . . . 0.0 108.017 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mp -55.76 -44.62 77.81 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.984 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -64.12 -42.1 96.98 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 112.076 -2.329 . . . . 0.0 110.599 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.331 21.9 tp -76.64 -47.63 21.59 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.089 -1.414 . . . . 0.0 107.728 -172.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -59.2 -44.12 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.092 0.957 . . . . 0.0 108.756 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -56.91 -48.44 78.22 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 118.668 -0.682 . . . . 0.0 112.39 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -56.22 -58.38 8.19 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 113.048 -1.887 . . . . 0.0 110.346 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.11 -43.3 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 126.344 1.857 . . . . 0.0 111.782 -175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.76 91.09 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.035 1.334 . . . . 0.0 108.909 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . 0.277 39.5 mt-10 -58.93 -54.41 47.44 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 111.196 -2.729 . . . . 0.0 110.734 176.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -47.5 -53.81 13.27 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 129.856 3.262 . . . . 0.0 108.05 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.52 -26.98 65.71 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 113.159 -1.837 . . . . 0.0 113.0 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.1 33.11 6.13 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.917 1.246 . . . . 0.0 112.485 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' CZ ' ' NE2' ' A' ' 39' ' ' GLN . 2.3 ptt180 -144.07 152.85 41.53 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -173.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.3 p -79.14 146.76 32.99 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.1 t -45.38 -38.89 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.677 1.991 . . . . 0.0 114.349 -168.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.361 44.4 t30 -58.86 -46.39 87.89 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 125.873 1.983 . . . . 0.0 111.918 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.5 t -69.43 -35.8 76.05 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.703 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . 0.27 0.9 OUTLIER -67.18 -49.25 65.33 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 119.0 0.818 . . . . 0.0 111.546 -176.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.4 mt -58.0 -57.1 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-N 119.417 1.008 . . . . 0.0 108.549 170.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . 0.261 23.7 t80 -38.27 -61.97 0.62 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 123.863 0.727 . . . . 0.0 112.638 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.411 ' NE2' ' CZ ' ' A' ' 31' ' ' ARG . 12.2 pt20 -58.82 -38.48 78.76 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 118.149 2.648 . . . . 0.0 118.149 178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . 0.415 27.0 mmt180 -65.68 -34.88 79.24 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.514 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -73.45 -41.48 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.946 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 27.7 mtp -79.33 -11.88 59.93 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 117.646 2.462 . . . . 0.0 117.646 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.05 -52.91 62.01 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 171.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -60.83 -26.24 67.19 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 114.2 -1.364 . . . . 0.0 113.954 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . 0.295 2.9 m-30 -68.12 -22.62 64.87 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.7 1.2 . . . . 0.0 109.848 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -52.93 -50.14 64.59 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.544 0.738 . . . . 0.0 110.01 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -91.62 66.08 5.24 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 103.161 -2.903 . . . . 0.0 103.161 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -49.68 -32.81 14.15 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 129.253 3.021 . . . . 0.0 113.929 -169.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.43 97.58 0.7 Allowed Glycine 0 N--CA 1.48 1.604 0 CA-C-N 110.818 -2.901 . . . . 0.0 109.561 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 64.86 29.21 12.61 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.769 1.227 . . . . 0.0 109.878 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . 0.351 1.1 pp 20.98 76.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 127.585 2.354 . . . . 0.0 115.469 -172.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.72 -31.23 6.66 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-N 113.339 -1.755 . . . . 0.0 115.035 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 CA-C-O 115.24 -2.314 . . . . 0.0 116.572 -178.18 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -60.05 -35.59 75.46 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 113.568 -1.651 . . . . 0.0 111.879 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.32 45.57 1.08 Allowed Glycine 0 CA--C 1.542 1.737 0 N-CA-C 107.987 -2.045 . . . . 0.0 107.987 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.49 51.04 14.2 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 125.303 1.441 . . . . 0.0 114.018 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.2 p -106.39 52.81 0.71 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 109.515 -3.493 . . . . 0.0 110.442 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -78.88 42.69 0.47 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 113.332 -1.758 . . . . 0.0 114.916 -172.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 51.1 tpp -119.81 93.57 47.76 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -175.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -84.54 168.35 11.35 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.86 2.374 . . . . 0.0 110.538 170.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -133.88 127.95 33.6 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 110.95 -2.841 . . . . 0.0 108.287 -173.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -138.56 153.9 48.71 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.15 1.38 . . . . 0.0 112.071 -174.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -115.22 134.44 55.13 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.537 -170.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 37.9 mt -129.21 144.32 51.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.257 -1.338 . . . . 0.0 111.636 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.84 126.1 51.77 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 124.414 1.071 . . . . 0.0 111.577 171.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 51.5 m0 -127.42 150.89 73.93 Favored Pre-proline 0 C--O 1.244 0.799 0 CA-C-N 112.049 -2.341 . . . . 0.0 108.418 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -55.35 141.66 81.1 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 121.453 1.435 . . . . 0.0 109.141 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -49.26 -45.84 45.38 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.454 1.502 . . . . 0.0 113.736 -172.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -54.78 -50.47 68.41 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.702 1.601 . . . . 0.0 111.29 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.3 t -55.06 -62.76 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.055 1.342 . . . . 0.0 113.417 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.93 -35.41 79.93 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.222 0.951 . . . . 0.0 111.06 -173.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -53.24 -55.52 23.81 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.097 1.359 . . . . 0.0 113.105 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.16 -37.33 86.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.53 1.132 . . . . 0.0 109.809 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 50.3 t -54.99 -48.57 75.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.958 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -56.23 -45.89 79.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.37 -0.832 . . . . 0.0 113.023 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -60.28 -51.6 68.87 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 113.811 -1.54 . . . . 0.0 111.952 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 t -73.28 -45.16 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 113.663 -1.608 . . . . 0.0 110.102 -174.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.92 -36.91 50.61 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.12 -41.81 61.02 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.133 1.373 . . . . 0.0 108.874 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.32 -43.26 83.16 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 113.099 -1.864 . . . . 0.0 110.51 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.71 -16.98 62.24 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.894 2.478 . . . . 0.0 112.843 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 27.05 62.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 126.701 2.096 . . . . 0.0 115.665 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ptt-85 -139.39 121.52 15.78 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 122.856 1.312 . . . . 0.0 114.528 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.3 p -63.29 116.51 5.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 112.279 -2.237 . . . . 0.0 113.451 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 83.1 t 7.71 -68.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 129.736 3.215 . . . . 0.0 117.552 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -49.58 -42.49 44.6 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 41.8 t -68.31 -41.42 80.91 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.271 0.982 . . . . 0.0 112.127 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . 0.313 0.2 OUTLIER -64.25 -50.82 66.44 Favored 'General case' 0 CA--C 1.559 1.299 0 O-C-N 122.066 -0.396 . . . . 0.0 111.311 -177.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 79.1 mt -61.29 -43.62 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 125.014 1.325 . . . . 0.0 109.894 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -50.84 -56.57 11.55 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.609 1.564 . . . . 0.0 108.43 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . 0.254 0.0 OUTLIER -71.91 -28.09 63.26 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 117.546 2.424 . . . . 0.0 117.546 -175.101 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -67.11 -49.31 65.4 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.233 171.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 75.7 t -58.03 -42.51 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.104 0.961 . . . . 0.0 112.35 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 32.0 mtp -70.67 -35.04 72.64 Favored 'General case' 0 CA--C 1.557 1.244 0 O-C-N 121.697 -0.627 . . . . 0.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -52.08 -54.03 35.19 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.054 1.341 . . . . 0.0 110.45 168.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 51.2 m -54.79 -42.22 71.52 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.112 0.965 . . . . 0.0 111.514 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -61.2 -22.51 64.83 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -58.45 -33.63 69.94 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 172.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.13 44.72 1.23 Allowed 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 173.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . 0.356 0.0 OUTLIER -32.83 -20.61 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 119.459 3.133 . . . . 0.0 119.459 -178.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.73 91.4 1.08 Allowed Glycine 0 CA--C 1.534 1.257 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 55.19 36.19 26.47 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 123.305 1.526 . . . . 0.0 111.016 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . 0.592 1.1 pp 15.69 92.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 120.197 3.406 . . . . 0.0 120.197 -163.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.58 -65.03 0.26 Allowed Glycine 0 CA--C 1.535 1.291 1 CA-C-N 105.288 -5.414 . . . . 0.0 113.639 -171.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.384 0 N-CA-C 120.109 3.374 . . . . 0.0 120.109 -173.49 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -60.15 -37.85 81.35 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.692 1.197 . . . . 0.0 112.731 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -134.47 55.62 0.73 Allowed Glycine 0 N--CA 1.48 1.601 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 168.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 30.23 62.22 0.18 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -165.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 p -105.07 65.42 0.73 Allowed 'General case' 0 C--N 1.318 -0.802 1 CA-C-N 107.041 -4.618 . . . . 0.0 110.951 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.457 ' HB3' ' HE ' ' B' ' 16' ' ' ARG . 46.2 mtmt -94.16 84.98 4.54 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 109.308 -3.587 . . . . 0.0 115.074 -170.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.2 tpp -151.19 84.73 5.2 Favored Pre-proline 0 N--CA 1.49 1.53 1 CA-C-N 107.302 -4.499 . . . . 0.0 112.119 -173.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' HD2' HD21 ' B' ' 19' ' ' LEU . 4.3 Cg_exo -87.02 145.96 7.62 Favored 'Trans proline' 0 N--CA 1.48 0.723 0 C-N-CA 125.184 3.923 . . . . 0.0 110.859 168.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -103.52 131.81 50.32 Favored 'General case' 0 CA--C 1.557 1.22 1 CA-C-N 106.652 -4.795 . . . . 0.0 110.633 177.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' HE2' HD21 ' A' ' 12' ' ' LEU . 9.8 p90 -144.16 151.6 39.76 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.172 1.389 . . . . 0.0 111.905 -176.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -101.57 137.42 39.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.268 1.427 . . . . 0.0 111.382 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HB2' ' CZ ' ' B' ' 10' ' ' PHE . 36.1 mt -118.41 145.86 44.88 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 110.392 -3.094 . . . . 0.0 113.684 173.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 0.393 0.0 OUTLIER -130.18 111.44 12.43 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.944 0.793 . . . . 0.0 110.995 177.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -131.63 155.69 81.1 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 125.597 1.811 . . . . 0.0 109.03 -172.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 32.2 Cg_exo -59.06 143.1 99.93 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 121.864 1.71 . . . . 0.0 114.341 175.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.535 ' HB2' ' HG3' ' B' ' 8' ' ' PRO 1.286 31.7 ttm-85 -35.9 -47.83 0.54 Allowed 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 128.19 2.596 . . . . 0.0 114.986 177.732 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -69.11 -28.78 66.78 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 22' ' ' VAL . 74.3 t -76.27 -42.01 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 114.122 -1.399 . . . . 0.0 108.017 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.524 HD23 HH21 ' A' ' 23' ' ' ARG . 3.1 mp -55.76 -44.62 77.81 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.984 175.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -64.12 -42.1 96.98 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 112.076 -2.329 . . . . 0.0 110.599 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 25' ' ' VAL 0.331 21.9 tp -76.64 -47.63 21.59 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.089 -1.414 . . . . 0.0 107.728 -172.505 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 18' ' ' VAL . 88.4 t -59.2 -44.12 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.092 0.957 . . . . 0.0 108.756 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.524 HH21 HD23 ' A' ' 19' ' ' LEU . 44.1 mtt180 -56.91 -48.44 78.22 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 118.668 -0.682 . . . . 0.0 112.39 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -56.22 -58.38 8.19 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 113.048 -1.887 . . . . 0.0 110.346 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 21' ' ' LEU . 4.3 t -64.11 -43.3 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 126.344 1.857 . . . . 0.0 111.782 -175.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.76 91.09 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.035 1.334 . . . . 0.0 108.909 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . 0.277 39.5 mt-10 -58.93 -54.41 47.44 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 111.196 -2.729 . . . . 0.0 110.734 176.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -47.5 -53.81 13.27 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 129.856 3.262 . . . . 0.0 108.05 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.52 -26.98 65.71 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 113.159 -1.837 . . . . 0.0 113.0 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.1 33.11 6.13 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.917 1.246 . . . . 0.0 112.485 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -144.07 152.85 41.53 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.3 p -79.14 146.76 32.99 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.1 t -45.38 -38.89 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.677 1.991 . . . . 0.0 114.349 -168.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.361 44.4 t30 -58.86 -46.39 87.89 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 125.873 1.983 . . . . 0.0 111.918 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.5 t -69.43 -35.8 76.05 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.703 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . 0.27 0.9 OUTLIER -67.18 -49.25 65.33 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 119.0 0.818 . . . . 0.0 111.546 -176.831 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.4 mt -58.0 -57.1 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-N 119.417 1.008 . . . . 0.0 108.549 170.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.529 ' CE1' HG11 ' B' ' 18' ' ' VAL 0.261 23.7 t80 -38.27 -61.97 0.62 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 123.863 0.727 . . . . 0.0 112.638 -179.493 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.82 -38.48 78.76 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 118.149 2.648 . . . . 0.0 118.149 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HA ' ' HD3' ' A' ' 40' ' ' ARG 0.415 27.0 mmt180 -65.68 -34.88 79.24 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.514 -179.241 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG21 HG23 ' B' ' 37' ' ' ILE . 46.7 t -73.45 -41.48 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.946 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 27.7 mtp -79.33 -11.88 59.93 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 117.646 2.462 . . . . 0.0 117.646 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.05 -52.91 62.01 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 171.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -60.83 -26.24 67.19 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 114.2 -1.364 . . . . 0.0 113.954 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HA ' HG22 ' A' ' 51' ' ' ILE 0.295 2.9 m-30 -68.12 -22.62 64.87 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.7 1.2 . . . . 0.0 109.848 -178.565 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -52.93 -50.14 64.59 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.544 0.738 . . . . 0.0 110.01 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -91.62 66.08 5.24 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 103.161 -2.903 . . . . 0.0 103.161 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -49.68 -32.81 14.15 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 129.253 3.021 . . . . 0.0 113.929 -169.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.43 97.58 0.7 Allowed Glycine 0 N--CA 1.48 1.604 0 CA-C-N 110.818 -2.901 . . . . 0.0 109.561 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 64.86 29.21 12.61 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.769 1.227 . . . . 0.0 109.878 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.736 HG23 HG11 ' B' ' 25' ' ' VAL 0.351 1.1 pp 20.98 76.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 127.585 2.354 . . . . 0.0 115.469 -172.296 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.72 -31.23 6.66 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-N 113.339 -1.755 . . . . 0.0 115.035 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' CB ' HH22 ' B' ' 40' ' ' ARG . . . . . . . . 0 C--O 1.255 1.386 0 CA-C-O 115.24 -2.314 . . . . 0.0 116.572 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.56 ' H2 ' ' H ' ' B' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -60.05 -35.59 75.46 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 113.568 -1.651 . . . . 0.0 111.879 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.32 45.57 1.08 Allowed Glycine 0 CA--C 1.542 1.737 0 N-CA-C 107.987 -2.045 . . . . 0.0 107.987 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.49 51.04 14.2 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 125.303 1.441 . . . . 0.0 114.018 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.56 ' H ' ' H2 ' ' B' ' 1' ' ' MET . 20.2 p -106.39 52.81 0.71 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 109.515 -3.493 . . . . 0.0 110.442 -174.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 15' ' ' PRO . 48.2 mtmt -78.88 42.69 0.47 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 113.332 -1.758 . . . . 0.0 114.916 -172.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 51.1 tpp -119.81 93.57 47.76 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -175.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.535 ' HG3' ' HB2' ' A' ' 16' ' ' ARG . 24.7 Cg_endo -84.54 168.35 11.35 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.86 2.374 . . . . 0.0 110.538 170.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -133.88 127.95 33.6 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 110.95 -2.841 . . . . 0.0 108.287 -173.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 12' ' ' LEU . 45.6 p90 -138.56 153.9 48.71 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.15 1.38 . . . . 0.0 112.071 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.457 ' O ' HD23 ' B' ' 12' ' ' LEU . 34.1 t-20 -115.22 134.44 55.13 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.537 -170.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 11' ' ' ASN . 37.9 mt -129.21 144.32 51.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.257 -1.338 . . . . 0.0 111.636 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.509 ' H ' ' HD2' ' B' ' 13' ' ' ARG . 0.1 OUTLIER -117.84 126.1 51.77 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 124.414 1.071 . . . . 0.0 111.577 171.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 51.5 m0 -127.42 150.89 73.93 Favored Pre-proline 0 C--O 1.244 0.799 0 CA-C-N 112.049 -2.341 . . . . 0.0 108.418 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -55.35 141.66 81.1 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 121.453 1.435 . . . . 0.0 109.141 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.457 ' HE ' ' HB3' ' A' ' 6' ' ' LYS . 10.2 ttm180 -49.26 -45.84 45.38 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.454 1.502 . . . . 0.0 113.736 -172.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -54.78 -50.47 68.41 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.702 1.601 . . . . 0.0 111.29 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.529 HG11 ' CE1' ' A' ' 38' ' ' TYR . 52.3 t -55.06 -62.76 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.055 1.342 . . . . 0.0 113.417 174.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.519 HD21 ' HD2' ' A' ' 8' ' ' PRO . 1.3 pp -66.93 -35.41 79.93 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.222 0.951 . . . . 0.0 111.06 -173.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.407 ' OD2' ' HG2' ' B' ' 16' ' ' ARG . 89.3 m-20 -53.24 -55.52 23.81 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.097 1.359 . . . . 0.0 113.105 169.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.534 ' O ' HG23 ' B' ' 25' ' ' VAL . 10.6 tp -63.16 -37.33 86.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.53 1.132 . . . . 0.0 109.809 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.448 HG22 ' CZ ' ' A' ' 45' ' ' PHE . 50.3 t -54.99 -48.57 75.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.958 172.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -56.23 -45.89 79.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.37 -0.832 . . . . 0.0 113.023 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -60.28 -51.6 68.87 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 113.811 -1.54 . . . . 0.0 111.952 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.736 HG11 HG23 ' A' ' 51' ' ' ILE . 2.7 t -73.28 -45.16 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 113.663 -1.608 . . . . 0.0 110.102 -174.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.92 -36.91 50.61 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.12 -41.81 61.02 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.133 1.373 . . . . 0.0 108.874 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' B' ' 25' ' ' VAL . 33.6 tt0 -57.32 -43.26 83.16 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 113.099 -1.864 . . . . 0.0 110.51 175.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.71 -16.98 62.24 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.894 2.478 . . . . 0.0 112.843 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 27.05 62.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 126.701 2.096 . . . . 0.0 115.665 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.511 HH21 ' NH2' ' B' ' 40' ' ' ARG . 18.5 ptt-85 -139.39 121.52 15.78 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 122.856 1.312 . . . . 0.0 114.528 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.3 p -63.29 116.51 5.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 112.279 -2.237 . . . . 0.0 113.451 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 83.1 t 7.71 -68.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 129.736 3.215 . . . . 0.0 117.552 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -49.58 -42.49 44.6 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 41.8 t -68.31 -41.42 80.91 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.271 0.982 . . . . 0.0 112.127 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . 0.313 0.2 OUTLIER -64.25 -50.82 66.44 Favored 'General case' 0 CA--C 1.559 1.299 0 O-C-N 122.066 -0.396 . . . . 0.0 111.311 -177.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.583 HG23 HG21 ' A' ' 41' ' ' VAL . 79.1 mt -61.29 -43.62 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 125.014 1.325 . . . . 0.0 109.894 177.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -50.84 -56.57 11.55 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.609 1.564 . . . . 0.0 108.43 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . 0.689 HE22 ' NH1' ' B' ' 40' ' ' ARG 0.254 0.0 OUTLIER -71.91 -28.09 63.26 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 117.546 2.424 . . . . 0.0 117.546 -175.101 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.689 ' NH1' HE22 ' B' ' 39' ' ' GLN . 12.6 mmt180 -67.11 -49.31 65.4 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.233 171.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 75.7 t -58.03 -42.51 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.104 0.961 . . . . 0.0 112.35 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 32.0 mtp -70.67 -35.04 72.64 Favored 'General case' 0 CA--C 1.557 1.244 0 O-C-N 121.697 -0.627 . . . . 0.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' B' ' 40' ' ' ARG . 30.8 tt0 -52.08 -54.03 35.19 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.054 1.341 . . . . 0.0 110.45 168.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 51.2 m -54.79 -42.22 71.52 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.112 0.965 . . . . 0.0 111.514 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.794 ' HD1' HG21 ' B' ' 51' ' ' ILE . 20.9 m-30 -61.2 -22.51 64.83 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 177.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -58.45 -33.63 69.94 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 172.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' B' ' 51' ' ' ILE . 41.0 mttp -89.13 44.72 1.23 Allowed 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 173.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.569 ' HA ' HG22 ' B' ' 51' ' ' ILE 0.356 0.0 OUTLIER -32.83 -20.61 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 119.459 3.133 . . . . 0.0 119.459 -178.802 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.73 91.4 1.08 Allowed Glycine 0 CA--C 1.534 1.257 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 55.19 36.19 26.47 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 123.305 1.526 . . . . 0.0 111.016 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.794 HG21 ' HD1' ' B' ' 45' ' ' PHE 0.592 1.1 pp 15.69 92.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 120.197 3.406 . . . . 0.0 120.197 -163.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.58 -65.03 0.26 Allowed Glycine 0 CA--C 1.535 1.291 1 CA-C-N 105.288 -5.414 . . . . 0.0 113.639 -171.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.384 0 N-CA-C 120.109 3.374 . . . . 0.0 120.109 -173.49 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -60.15 -37.85 81.35 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.692 1.197 . . . . 0.0 112.731 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -134.47 55.62 0.73 Allowed Glycine 0 N--CA 1.48 1.601 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 168.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 30.23 62.22 0.18 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -165.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 p -105.07 65.42 0.73 Allowed 'General case' 0 C--N 1.318 -0.802 1 CA-C-N 107.041 -4.618 . . . . 0.0 110.951 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.457 ' HB3' ' HE ' ' B' ' 16' ' ' ARG . 46.2 mtmt -94.16 84.98 4.54 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 109.308 -3.587 . . . . 0.0 115.074 -170.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.2 tpp -151.19 84.73 5.2 Favored Pre-proline 0 N--CA 1.49 1.53 1 CA-C-N 107.302 -4.499 . . . . 0.0 112.119 -173.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' HD2' HD21 ' B' ' 19' ' ' LEU . 4.3 Cg_exo -87.02 145.96 7.62 Favored 'Trans proline' 0 N--CA 1.48 0.723 0 C-N-CA 125.184 3.923 . . . . 0.0 110.859 168.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -103.52 131.81 50.32 Favored 'General case' 0 CA--C 1.557 1.22 1 CA-C-N 106.652 -4.795 . . . . 0.0 110.633 177.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' HE2' HD21 ' A' ' 12' ' ' LEU . 9.8 p90 -144.16 151.6 39.76 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.172 1.389 . . . . 0.0 111.905 -176.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -101.57 137.42 39.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.268 1.427 . . . . 0.0 111.382 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HB2' ' CZ ' ' B' ' 10' ' ' PHE . 36.1 mt -118.41 145.86 44.88 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 110.392 -3.094 . . . . 0.0 113.684 173.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . 0.393 0.0 OUTLIER -130.18 111.44 12.43 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.944 0.793 . . . . 0.0 110.995 177.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -131.63 155.69 81.1 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 125.597 1.811 . . . . 0.0 109.03 -172.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 32.2 Cg_exo -59.06 143.1 99.93 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 121.864 1.71 . . . . 0.0 114.341 175.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.535 ' HB2' ' HG3' ' B' ' 8' ' ' PRO 1.286 31.7 ttm-85 -35.9 -47.83 0.54 Allowed 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 128.19 2.596 . . . . 0.0 114.986 177.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -69.11 -28.78 66.78 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 22' ' ' VAL . 74.3 t -76.27 -42.01 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 114.122 -1.399 . . . . 0.0 108.017 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.524 HD23 HH21 ' A' ' 23' ' ' ARG . 3.1 mp -55.76 -44.62 77.81 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.984 175.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -64.12 -42.1 96.98 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 112.076 -2.329 . . . . 0.0 110.599 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 25' ' ' VAL 0.331 21.9 tp -76.64 -47.63 21.59 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.089 -1.414 . . . . 0.0 107.728 -172.505 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 18' ' ' VAL . 88.4 t -59.2 -44.12 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.092 0.957 . . . . 0.0 108.756 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.524 HH21 HD23 ' A' ' 19' ' ' LEU . 44.1 mtt180 -56.91 -48.44 78.22 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 118.668 -0.682 . . . . 0.0 112.39 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -56.22 -58.38 8.19 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 113.048 -1.887 . . . . 0.0 110.346 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 21' ' ' LEU . 4.3 t -64.11 -43.3 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 126.344 1.857 . . . . 0.0 111.782 -175.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.9 -43.76 91.09 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.035 1.334 . . . . 0.0 108.909 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . 0.277 39.5 mt-10 -58.93 -54.41 47.44 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 111.196 -2.729 . . . . 0.0 110.734 176.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -47.5 -53.81 13.27 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 129.856 3.262 . . . . 0.0 108.05 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.52 -26.98 65.71 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 113.159 -1.837 . . . . 0.0 113.0 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.1 33.11 6.13 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.917 1.246 . . . . 0.0 112.485 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.854 ' CZ ' HE22 ' A' ' 39' ' ' GLN . 2.3 ptt180 -144.07 152.85 41.53 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -173.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.3 p -79.14 146.76 32.99 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.1 t -45.38 -38.89 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.677 1.991 . . . . 0.0 114.349 -168.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . 0.361 44.4 t30 -58.86 -46.39 87.89 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 125.873 1.983 . . . . 0.0 111.918 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.5 t -69.43 -35.8 76.05 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.703 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . 0.27 0.9 OUTLIER -67.18 -49.25 65.33 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 119.0 0.818 . . . . 0.0 111.546 -176.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.4 mt -58.0 -57.1 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-N 119.417 1.008 . . . . 0.0 108.549 170.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.529 ' CE1' HG11 ' B' ' 18' ' ' VAL 0.261 23.7 t80 -38.27 -61.97 0.62 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 123.863 0.727 . . . . 0.0 112.638 -179.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.854 HE22 ' CZ ' ' A' ' 31' ' ' ARG . 12.2 pt20 -58.82 -38.48 78.76 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 118.149 2.648 . . . . 0.0 118.149 178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HA ' ' HD3' ' A' ' 40' ' ' ARG 0.415 27.0 mmt180 -65.68 -34.88 79.24 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.514 -179.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG21 HG23 ' B' ' 37' ' ' ILE . 46.7 t -73.45 -41.48 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.946 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 27.7 mtp -79.33 -11.88 59.93 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 117.646 2.462 . . . . 0.0 117.646 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.05 -52.91 62.01 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 171.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 m -60.83 -26.24 67.19 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 114.2 -1.364 . . . . 0.0 113.954 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HA ' HG22 ' A' ' 51' ' ' ILE 0.295 2.9 m-30 -68.12 -22.62 64.87 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.7 1.2 . . . . 0.0 109.848 -178.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -52.93 -50.14 64.59 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.544 0.738 . . . . 0.0 110.01 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -91.62 66.08 5.24 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 103.161 -2.903 . . . . 0.0 103.161 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -49.68 -32.81 14.15 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 129.253 3.021 . . . . 0.0 113.929 -169.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.43 97.58 0.7 Allowed Glycine 0 N--CA 1.48 1.604 0 CA-C-N 110.818 -2.901 . . . . 0.0 109.561 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 64.86 29.21 12.61 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.769 1.227 . . . . 0.0 109.878 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.736 HG23 HG11 ' B' ' 25' ' ' VAL 0.351 1.1 pp 20.98 76.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 127.585 2.354 . . . . 0.0 115.469 -172.296 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.72 -31.23 6.66 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-N 113.339 -1.755 . . . . 0.0 115.035 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' CB ' HH22 ' B' ' 40' ' ' ARG . . . . . . . . 0 C--O 1.255 1.386 0 CA-C-O 115.24 -2.314 . . . . 0.0 116.572 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.56 ' H2 ' ' H ' ' B' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -60.05 -35.59 75.46 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 113.568 -1.651 . . . . 0.0 111.879 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.32 45.57 1.08 Allowed Glycine 0 CA--C 1.542 1.737 0 N-CA-C 107.987 -2.045 . . . . 0.0 107.987 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.49 51.04 14.2 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 125.303 1.441 . . . . 0.0 114.018 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.56 ' H ' ' H2 ' ' B' ' 1' ' ' MET . 20.2 p -106.39 52.81 0.71 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 109.515 -3.493 . . . . 0.0 110.442 -174.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 15' ' ' PRO . 48.2 mtmt -78.88 42.69 0.47 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 113.332 -1.758 . . . . 0.0 114.916 -172.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 51.1 tpp -119.81 93.57 47.76 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -175.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.535 ' HG3' ' HB2' ' A' ' 16' ' ' ARG . 24.7 Cg_endo -84.54 168.35 11.35 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.86 2.374 . . . . 0.0 110.538 170.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -133.88 127.95 33.6 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 110.95 -2.841 . . . . 0.0 108.287 -173.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 12' ' ' LEU . 45.6 p90 -138.56 153.9 48.71 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.15 1.38 . . . . 0.0 112.071 -174.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.457 ' O ' HD23 ' B' ' 12' ' ' LEU . 34.1 t-20 -115.22 134.44 55.13 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.537 -170.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 11' ' ' ASN . 37.9 mt -129.21 144.32 51.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.257 -1.338 . . . . 0.0 111.636 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.509 ' H ' ' HD2' ' B' ' 13' ' ' ARG . 0.1 OUTLIER -117.84 126.1 51.77 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 124.414 1.071 . . . . 0.0 111.577 171.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 51.5 m0 -127.42 150.89 73.93 Favored Pre-proline 0 C--O 1.244 0.799 0 CA-C-N 112.049 -2.341 . . . . 0.0 108.418 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -55.35 141.66 81.1 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 121.453 1.435 . . . . 0.0 109.141 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.457 ' HE ' ' HB3' ' A' ' 6' ' ' LYS . 10.2 ttm180 -49.26 -45.84 45.38 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.454 1.502 . . . . 0.0 113.736 -172.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -54.78 -50.47 68.41 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.702 1.601 . . . . 0.0 111.29 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.529 HG11 ' CE1' ' A' ' 38' ' ' TYR . 52.3 t -55.06 -62.76 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.055 1.342 . . . . 0.0 113.417 174.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.519 HD21 ' HD2' ' A' ' 8' ' ' PRO . 1.3 pp -66.93 -35.41 79.93 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.222 0.951 . . . . 0.0 111.06 -173.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.407 ' OD2' ' HG2' ' B' ' 16' ' ' ARG . 89.3 m-20 -53.24 -55.52 23.81 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.097 1.359 . . . . 0.0 113.105 169.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.534 ' O ' HG23 ' B' ' 25' ' ' VAL . 10.6 tp -63.16 -37.33 86.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.53 1.132 . . . . 0.0 109.809 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.448 HG22 ' CZ ' ' A' ' 45' ' ' PHE . 50.3 t -54.99 -48.57 75.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.958 172.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -56.23 -45.89 79.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.37 -0.832 . . . . 0.0 113.023 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -60.28 -51.6 68.87 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 113.811 -1.54 . . . . 0.0 111.952 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.736 HG11 HG23 ' A' ' 51' ' ' ILE . 2.7 t -73.28 -45.16 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 113.663 -1.608 . . . . 0.0 110.102 -174.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.92 -36.91 50.61 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -74.12 -41.81 61.02 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.133 1.373 . . . . 0.0 108.874 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' B' ' 25' ' ' VAL . 33.6 tt0 -57.32 -43.26 83.16 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 113.099 -1.864 . . . . 0.0 110.51 175.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.71 -16.98 62.24 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.894 2.478 . . . . 0.0 112.843 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 27.05 62.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 126.701 2.096 . . . . 0.0 115.665 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.511 HH21 ' NH2' ' B' ' 40' ' ' ARG . 18.5 ptt-85 -139.39 121.52 15.78 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 122.856 1.312 . . . . 0.0 114.528 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.3 p -63.29 116.51 5.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 112.279 -2.237 . . . . 0.0 113.451 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 83.1 t 7.71 -68.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 129.736 3.215 . . . . 0.0 117.552 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -49.58 -42.49 44.6 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 41.8 t -68.31 -41.42 80.91 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.271 0.982 . . . . 0.0 112.127 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . 0.313 0.2 OUTLIER -64.25 -50.82 66.44 Favored 'General case' 0 CA--C 1.559 1.299 0 O-C-N 122.066 -0.396 . . . . 0.0 111.311 -177.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.583 HG23 HG21 ' A' ' 41' ' ' VAL . 79.1 mt -61.29 -43.62 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 125.014 1.325 . . . . 0.0 109.894 177.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -50.84 -56.57 11.55 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.609 1.564 . . . . 0.0 108.43 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.689 HE22 ' NH1' ' B' ' 40' ' ' ARG 0.254 0.0 OUTLIER -71.91 -28.09 63.26 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 117.546 2.424 . . . . 0.0 117.546 -175.101 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.689 ' NH1' HE22 ' B' ' 39' ' ' GLN . 12.6 mmt180 -67.11 -49.31 65.4 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.233 171.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 75.7 t -58.03 -42.51 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.104 0.961 . . . . 0.0 112.35 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 32.0 mtp -70.67 -35.04 72.64 Favored 'General case' 0 CA--C 1.557 1.244 0 O-C-N 121.697 -0.627 . . . . 0.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' B' ' 40' ' ' ARG . 30.8 tt0 -52.08 -54.03 35.19 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.054 1.341 . . . . 0.0 110.45 168.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 51.2 m -54.79 -42.22 71.52 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.112 0.965 . . . . 0.0 111.514 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.794 ' HD1' HG21 ' B' ' 51' ' ' ILE . 20.9 m-30 -61.2 -22.51 64.83 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 177.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -58.45 -33.63 69.94 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 172.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' B' ' 51' ' ' ILE . 41.0 mttp -89.13 44.72 1.23 Allowed 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 173.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.569 ' HA ' HG22 ' B' ' 51' ' ' ILE 0.356 0.0 OUTLIER -32.83 -20.61 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 119.459 3.133 . . . . 0.0 119.459 -178.802 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.73 91.4 1.08 Allowed Glycine 0 CA--C 1.534 1.257 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 55.19 36.19 26.47 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 123.305 1.526 . . . . 0.0 111.016 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.794 HG21 ' HD1' ' B' ' 45' ' ' PHE 0.592 1.1 pp 15.69 92.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 120.197 3.406 . . . . 0.0 120.197 -163.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.58 -65.03 0.26 Allowed Glycine 0 CA--C 1.535 1.291 1 CA-C-N 105.288 -5.414 . . . . 0.0 113.639 -171.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.384 0 N-CA-C 120.109 3.374 . . . . 0.0 120.109 -173.49 . . . . . . . . 0 0 . 1 stop_ save_