==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JAN-13 4IMI . COMPND 2 MOLECULE: SYMPLEKIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR Y.LUO,S.D.YOGESHA,Y.ZHANG . 1033 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 739 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 512 49.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 4 0 1 0 1 2 4 2 4 3 1 3 6 0 7 1 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 18 A M 0 0 248 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.9 11.0 29.5 16.5 2 19 A T + 0 0 149 3,-0.0 2,-0.2 2,-0.0 0, 0.0 -0.743 360.0 175.0-123.8 168.2 9.3 26.6 18.4 3 20 A D - 0 0 105 -2,-0.2 4,-0.3 0, 0.0 3,-0.2 -0.873 42.4-106.0-154.9-178.4 8.3 25.4 22.0 4 21 A E S > S+ 0 0 131 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 0.527 92.2 93.5 -93.4 -14.2 6.5 22.5 23.7 5 22 A K H > S+ 0 0 152 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.827 86.3 45.3 -51.0 -47.0 3.2 24.4 24.5 6 23 A T H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.923 115.2 45.5 -66.3 -50.6 1.3 23.4 21.3 7 24 A A H > S+ 0 0 62 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.836 114.1 49.7 -62.1 -38.1 2.2 19.6 21.4 8 25 A T H X S+ 0 0 91 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.820 113.6 46.4 -69.1 -36.9 1.4 19.5 25.2 9 26 A A H X S+ 0 0 15 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.897 111.7 51.2 -71.2 -42.2 -2.0 21.2 24.5 10 27 A R H X S+ 0 0 113 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.864 109.9 49.5 -62.1 -41.3 -2.7 18.8 21.5 11 28 A A H X S+ 0 0 56 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.804 109.8 52.6 -67.9 -32.6 -2.0 15.7 23.7 12 29 A K H X S+ 0 0 119 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.858 116.1 38.1 -70.6 -39.2 -4.4 17.1 26.4 13 30 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.769 108.0 62.0 -85.8 -29.4 -7.3 17.6 23.9 14 31 A V H X S+ 0 0 59 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.915 108.5 46.8 -59.8 -40.5 -6.6 14.4 21.9 15 32 A D H X S+ 0 0 96 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.933 113.0 46.9 -62.5 -53.3 -7.3 12.6 25.3 16 33 A W H X S+ 0 0 27 -4,-1.2 4,-1.1 1,-0.2 -2,-0.2 0.862 112.4 49.8 -60.0 -41.2 -10.5 14.6 26.0 17 34 A C H X S+ 0 0 14 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.821 110.6 50.4 -68.5 -33.8 -11.8 14.1 22.4 18 35 A N H >< S+ 0 0 107 -4,-1.6 3,-0.5 -5,-0.2 4,-0.4 0.848 106.9 54.5 -71.4 -37.0 -11.2 10.3 22.7 19 36 A E H >X S+ 0 0 79 -4,-1.9 3,-1.1 1,-0.2 4,-0.7 0.790 95.6 71.0 -64.1 -33.2 -13.1 10.2 26.1 20 37 A L H 3< S+ 0 0 7 -4,-1.1 3,-0.3 1,-0.2 -1,-0.2 0.785 88.6 58.5 -54.8 -42.8 -16.2 11.8 24.4 21 38 A V T << S+ 0 0 129 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.1 0.741 120.8 28.9 -63.9 -25.2 -17.3 8.7 22.3 22 39 A I T <4 S+ 0 0 148 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.345 101.6 110.1-115.4 -0.5 -17.6 6.6 25.5 23 40 A A < - 0 0 15 -4,-0.7 -3,-0.0 -3,-0.3 -4,-0.0 -0.427 69.9-112.4 -81.7 154.0 -18.5 9.5 28.0 24 41 A S > - 0 0 57 -2,-0.1 4,-3.2 1,-0.1 3,-0.2 -0.408 37.0-104.9 -73.2 156.0 -21.9 10.2 29.8 25 42 A P H > S+ 0 0 51 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.847 124.8 50.4 -55.4 -33.9 -23.8 13.4 28.7 26 43 A S H > S+ 0 0 88 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.904 115.0 42.7 -66.0 -43.8 -22.7 15.1 32.0 27 44 A T H > S+ 0 0 54 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.861 110.0 58.4 -69.3 -40.1 -19.1 14.1 31.3 28 45 A K H X S+ 0 0 28 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.837 107.2 46.9 -58.0 -39.5 -19.5 15.1 27.6 29 46 A C H X S+ 0 0 26 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.854 112.6 49.4 -71.6 -38.8 -20.4 18.7 28.6 30 47 A E H X S+ 0 0 126 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.871 113.0 47.2 -65.7 -42.5 -17.4 18.9 31.1 31 48 A L H X S+ 0 0 7 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.893 110.5 51.9 -66.3 -44.6 -15.0 17.6 28.4 32 49 A L H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.812 105.7 54.5 -63.8 -36.0 -16.4 20.1 25.8 33 50 A A H X S+ 0 0 46 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.842 112.8 43.6 -66.1 -36.3 -16.0 23.1 28.2 34 51 A K H X S+ 0 0 108 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.874 113.2 51.2 -74.7 -41.9 -12.2 22.1 28.6 35 52 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.924 113.2 45.7 -61.0 -47.1 -11.8 21.5 24.8 36 53 A Q H X S+ 0 0 43 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.928 108.6 56.0 -60.8 -50.1 -13.3 25.0 24.0 37 54 A E H <>S+ 0 0 140 -4,-1.9 5,-1.7 1,-0.2 -1,-0.2 0.795 121.9 28.0 -52.7 -36.9 -11.2 26.7 26.7 38 55 A T H ><>S+ 0 0 14 -4,-1.4 5,-3.2 3,-0.3 3,-0.5 0.923 121.4 47.6 -90.4 -59.3 -7.9 25.4 25.1 39 56 A V H 3<5S+ 0 0 0 -4,-2.9 8,-0.8 1,-0.2 -3,-0.2 0.700 128.0 27.7 -63.0 -25.2 -8.8 24.9 21.3 40 57 A L T 3<5S+ 0 0 11 -4,-2.2 -1,-0.2 -5,-0.3 4,-0.2 0.361 138.8 18.9-116.2 0.4 -10.4 28.4 21.0 41 58 A G T X 5S+ 0 0 47 -3,-0.5 3,-0.9 -5,-0.3 -3,-0.3 0.445 123.5 30.1-127.0 -94.4 -8.3 30.1 23.8 42 59 A S T 3 S+ 0 0 121 1,-0.2 3,-0.6 2,-0.1 4,-0.3 0.754 87.6 64.0 -65.1 -28.1 -4.3 27.1 16.4 46 63 A L G X S+ 0 0 5 -3,-1.4 3,-0.6 1,-0.2 4,-0.3 0.604 77.3 93.1 -70.8 -17.3 -5.7 23.5 17.3 47 64 A A G X S+ 0 0 0 -3,-1.1 3,-1.0 -8,-0.8 4,-0.3 0.788 78.5 53.5 -47.7 -48.2 -9.4 24.7 16.5 48 65 A E G X S+ 0 0 85 -3,-0.6 3,-0.7 1,-0.2 4,-0.4 0.873 109.0 47.0 -61.0 -43.1 -9.5 23.5 12.8 49 66 A E G < S+ 0 0 155 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.340 114.4 46.2 -88.0 8.5 -8.4 19.8 13.4 50 67 A F G <> S+ 0 0 16 -3,-1.0 4,-1.3 -4,-0.3 -1,-0.2 0.227 85.6 96.4-127.8 7.2 -10.8 19.2 16.4 51 68 A L H X> S+ 0 0 6 -3,-0.7 4,-3.0 -4,-0.3 3,-0.5 0.945 83.1 47.1 -63.8 -55.9 -13.9 20.8 14.7 52 69 A E H 3> S+ 0 0 166 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.802 107.6 59.3 -60.2 -32.0 -15.5 17.5 13.4 53 70 A S H 34 S+ 0 0 46 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.898 115.3 34.1 -61.3 -43.7 -14.9 15.9 16.9 54 71 A V H X< S+ 0 0 0 -4,-1.3 3,-0.9 -3,-0.5 -2,-0.2 0.876 115.6 55.0 -80.1 -43.2 -17.1 18.7 18.4 55 72 A L H >< S+ 0 0 17 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.700 97.5 64.6 -67.0 -23.0 -19.6 19.1 15.5 56 73 A S G >< S+ 0 0 68 -4,-1.4 3,-1.7 1,-0.2 -1,-0.2 0.854 90.3 66.9 -66.8 -33.6 -20.5 15.4 15.5 57 74 A L G < S+ 0 0 13 -3,-0.9 3,-0.4 -4,-0.4 -1,-0.2 0.426 77.9 83.8 -67.5 -1.7 -22.0 15.9 19.1 58 75 A A G < S+ 0 0 12 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.732 89.3 52.1 -71.5 -23.6 -24.7 18.0 17.4 59 76 A H S < S+ 0 0 167 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.573 84.3 124.2 -87.6 -14.0 -26.5 14.7 16.7 60 77 A D - 0 0 32 -3,-0.4 6,-0.1 -4,-0.2 -3,-0.0 -0.079 66.7-128.8 -51.9 145.2 -26.3 13.6 20.4 61 78 A S S S+ 0 0 114 4,-0.1 2,-0.4 5,-0.0 -1,-0.1 0.731 85.0 87.7 -67.7 -31.7 -29.6 12.6 22.2 62 79 A N > - 0 0 56 1,-0.1 4,-1.7 2,-0.0 3,-0.2 -0.653 67.8-150.9 -79.7 126.7 -29.0 14.9 25.2 63 80 A M H > S+ 0 0 44 -2,-0.4 4,-2.2 1,-0.2 -1,-0.1 0.819 95.5 57.9 -64.4 -34.9 -30.2 18.5 24.7 64 81 A E H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.867 107.1 48.6 -62.8 -39.2 -27.5 20.0 27.1 65 82 A V H > S+ 0 0 0 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.922 111.1 49.6 -65.6 -47.3 -24.8 18.5 24.9 66 83 A R H X S+ 0 0 38 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.875 111.1 50.4 -58.1 -40.2 -26.5 19.9 21.8 67 84 A K H X S+ 0 0 48 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.796 107.0 54.0 -68.7 -33.7 -26.6 23.3 23.6 68 85 A Q H X S+ 0 0 61 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.853 105.3 53.6 -68.1 -36.2 -22.8 23.1 24.4 69 86 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.865 107.5 51.6 -63.9 -40.0 -22.1 22.5 20.7 70 87 A V H X S+ 0 0 7 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.931 108.4 50.5 -62.3 -48.3 -24.1 25.8 20.0 71 88 A A H X S+ 0 0 20 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.834 112.0 49.2 -59.4 -35.3 -22.0 27.7 22.6 72 89 A F H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.938 111.3 46.6 -68.5 -52.9 -18.8 26.3 20.9 73 90 A V H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.847 111.8 52.6 -59.3 -37.7 -19.9 27.3 17.3 74 91 A E H X S+ 0 0 10 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.906 110.7 47.4 -64.6 -42.3 -20.9 30.8 18.6 75 92 A Q H >X S+ 0 0 59 -4,-1.6 4,-2.1 2,-0.2 3,-0.7 0.871 107.7 56.8 -66.2 -38.3 -17.3 31.1 20.2 76 93 A V H 3X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 7,-0.2 0.933 105.3 50.2 -57.3 -49.8 -15.8 29.9 16.8 77 94 A C H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.674 112.9 49.2 -68.3 -14.3 -17.5 32.8 14.9 78 95 A K H << S+ 0 0 83 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.859 128.5 16.4 -88.3 -43.4 -16.1 35.3 17.6 79 96 A V H < S+ 0 0 69 -4,-2.1 -3,-0.2 1,-0.1 -2,-0.2 0.783 139.2 27.1-104.0 -35.5 -12.4 34.2 17.7 80 97 A K >< + 0 0 53 -4,-2.7 3,-2.9 -5,-0.4 4,-0.1 -0.342 66.5 158.6-126.6 50.7 -11.8 32.1 14.4 81 98 A V G > + 0 0 26 1,-0.3 3,-2.0 -4,-0.2 -1,-0.1 0.673 65.7 74.6 -50.6 -22.3 -14.5 33.6 12.1 82 99 A E G 3 S+ 0 0 108 1,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.736 90.7 58.7 -63.9 -22.9 -12.5 32.3 9.1 83 100 A L G X S+ 0 0 17 -3,-2.9 3,-1.6 -7,-0.2 4,-0.4 0.370 74.6 107.6 -85.6 2.2 -13.9 28.8 10.1 84 101 A L G X> S+ 0 0 0 -3,-2.0 4,-2.1 1,-0.3 3,-1.8 0.850 70.9 56.8 -52.7 -47.2 -17.5 30.0 9.7 85 102 A P G 34 S+ 0 0 20 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.725 107.5 51.6 -61.1 -17.2 -18.3 28.1 6.4 86 103 A H G <4 S+ 0 0 92 -3,-1.6 -2,-0.2 1,-0.1 4,-0.1 0.462 120.2 30.9 -93.7 -7.4 -17.3 24.8 8.3 87 104 A V T X> S+ 0 0 0 -3,-1.8 4,-0.9 -4,-0.4 3,-0.6 0.543 96.5 82.7-124.0 -19.5 -19.6 25.4 11.3 88 105 A I H 3X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 5,-0.1 0.734 83.4 63.6 -64.7 -24.9 -22.6 27.3 9.9 89 106 A N H 3> S+ 0 0 83 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 99.3 54.4 -65.5 -40.5 -24.4 24.1 8.6 90 107 A V H <> S+ 0 0 21 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.859 105.5 53.4 -59.1 -42.5 -24.8 22.8 12.1 91 108 A V H X S+ 0 0 6 -4,-0.9 4,-0.7 2,-0.2 -2,-0.2 0.952 110.5 45.1 -61.0 -54.7 -26.6 26.1 13.2 92 109 A S H >< S+ 0 0 6 -4,-1.6 3,-0.6 1,-0.2 -2,-0.2 0.866 115.8 48.3 -57.4 -40.2 -29.2 25.9 10.4 93 110 A M H >< S+ 0 0 106 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.888 106.6 55.1 -68.1 -43.4 -29.7 22.2 11.1 94 111 A L H >< S+ 0 0 11 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.583 94.8 69.6 -69.5 -8.1 -30.1 22.8 14.9 95 112 A L T << S+ 0 0 8 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.430 95.3 55.1 -84.9 -3.2 -32.9 25.3 14.1 96 113 A R T < S+ 0 0 170 -3,-1.8 -1,-0.2 -4,-0.0 -2,-0.2 0.332 84.5 134.5-102.4 -1.9 -35.0 22.2 13.0 97 114 A D < - 0 0 26 -3,-0.7 6,-0.1 1,-0.1 -3,-0.0 -0.106 58.0-139.4 -54.8 145.5 -34.4 20.7 16.5 98 115 A N S S+ 0 0 166 4,-0.0 2,-0.4 5,-0.0 -1,-0.1 0.773 81.5 85.2 -77.3 -30.1 -37.4 19.2 18.4 99 116 A S > - 0 0 27 1,-0.1 4,-2.1 2,-0.0 3,-0.2 -0.654 65.8-154.7 -79.8 124.9 -36.3 20.7 21.8 100 117 A A H > S+ 0 0 19 -2,-0.4 4,-2.4 1,-0.2 5,-0.1 0.830 96.8 58.7 -64.9 -34.4 -37.6 24.3 22.4 101 118 A Q H > S+ 0 0 65 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.834 108.2 45.6 -64.4 -35.4 -34.6 24.8 24.8 102 119 A V H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.938 111.9 50.6 -73.1 -49.5 -32.2 24.0 22.0 103 120 A I H X S+ 0 0 14 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.894 110.2 50.6 -54.5 -45.0 -34.0 26.2 19.4 104 121 A K H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 110.6 48.7 -60.7 -46.7 -33.9 29.2 21.9 105 122 A R H X S+ 0 0 49 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.860 112.1 49.3 -60.6 -40.3 -30.1 28.7 22.5 106 123 A V H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.917 110.5 49.9 -66.4 -45.6 -29.5 28.6 18.7 107 124 A I H X S+ 0 0 2 -4,-2.7 4,-0.6 2,-0.2 -2,-0.2 0.934 111.4 49.8 -57.5 -47.3 -31.6 31.8 18.1 108 125 A Q H >X S+ 0 0 24 -4,-2.5 3,-1.3 1,-0.2 4,-0.5 0.921 112.1 47.1 -55.2 -50.8 -29.6 33.5 20.9 109 126 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.3 3,-0.4 0.833 101.3 66.3 -60.1 -38.8 -26.2 32.4 19.3 110 127 A C H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.650 87.8 70.8 -60.5 -20.4 -27.4 33.5 15.8 111 128 A G H - 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0 0 8 -5,-3.0 -1,-0.3 -6,-0.1 2,-0.1 -0.499 45.8-122.3 -75.0 147.7 -44.9 61.5 33.5 305 322 A S > - 0 0 50 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.487 22.1-109.6 -84.6 160.9 -44.7 65.1 34.7 306 323 A T H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.888 120.8 46.7 -52.0 -45.6 -44.0 68.2 32.5 307 324 A N H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.837 108.3 54.0 -74.1 -33.1 -40.6 68.6 34.1 308 325 A E H 4 S+ 0 0 99 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.931 115.5 40.7 -64.3 -45.2 -39.6 64.9 33.8 309 326 A I H >X S+ 0 0 4 -4,-2.2 3,-1.2 1,-0.2 4,-0.7 0.883 111.7 56.4 -66.4 -47.0 -40.4 65.0 30.0 310 327 A Q H >< S+ 0 0 93 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.857 101.3 57.4 -54.6 -42.6 -38.8 68.5 29.6 311 328 A K T 3< S+ 0 0 166 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.679 100.9 59.1 -64.7 -20.2 -35.4 67.2 31.0 312 329 A L T <4 S+ 0 0 34 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.727 78.9 99.3 -82.3 -26.7 -35.2 64.5 28.3 313 330 A I S << S- 0 0 78 -3,-0.8 -29,-0.2 -4,-0.7 2,-0.1 -0.465 78.6-122.3 -67.3 121.2 -35.3 66.8 25.3 314 331 A P - 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0 0 80 -2,-0.4 2,-0.2 1,-0.1 -2,-0.1 -0.327 35.1-103.1 -63.7 142.2 -40.6 8.0 76.3 962 129 D S + 0 0 29 1,-0.2 -1,-0.1 -4,-0.1 66,-0.1 -0.528 48.4 158.5 -71.6 135.3 -40.5 11.8 75.5 963 130 D V S S+ 0 0 94 65,-1.8 -1,-0.2 -2,-0.2 -349,-0.1 0.656 78.1 30.6-119.5 -60.1 -43.8 13.5 74.7 964 131 D D S S- 0 0 51 64,-0.8 -351,-0.2 2,-0.1 -350,-0.1 0.679 91.3-137.6 -77.5 -18.4 -43.5 17.2 75.4 965 132 D N + 0 0 22 1,-0.2 -301,-0.1 -352,-0.1 -300,-0.1 0.807 49.0 156.8 59.7 33.1 -39.7 17.2 74.5 966 133 D R - 0 0 57 -356,-0.0 62,-2.4 -355,-0.0 -1,-0.2 -0.806 34.9-140.0 -90.2 116.9 -39.3 19.5 77.6 967 134 D P E - K 01027C 19 0, 0.0 2,-0.3 0, 0.0 60,-0.2 -0.490 15.6-167.2 -78.6 152.4 -35.7 19.4 79.1 968 135 D V E - K 01026C 0 58,-2.4 58,-2.4 -2,-0.1 2,-0.5 -0.998 20.1-128.7-136.3 133.6 -35.1 19.3 82.9 969 136 D H E -jK 9411025C 10 -29,-2.2 -27,-2.6 -2,-0.3 2,-0.5 -0.754 21.8-162.0 -84.2 124.8 -31.7 19.9 84.7 970 137 D V E -jK 9421024C 0 54,-2.8 54,-2.5 -2,-0.5 2,-0.3 -0.968 12.9-176.9-110.2 120.7 -31.0 17.1 87.2 971 138 D L E -jK 9431023C 0 -29,-3.0 -27,-2.7 -2,-0.5 2,-0.5 -0.935 18.2-142.7-122.2 146.9 -28.3 18.1 89.7 972 139 D N E +j 944 0C 1 50,-2.3 2,-0.5 -2,-0.3 50,-0.5 -0.944 17.2 175.7-115.1 123.5 -26.7 16.1 92.5 973 140 D V - 0 0 0 -29,-3.1 2,-0.2 -2,-0.5 48,-0.1 -0.966 31.4-131.2-123.4 105.1 -25.8 17.7 95.9 974 141 D D + 0 0 82 -2,-0.5 2,-0.4 46,-0.4 -28,-0.2 -0.406 29.2 178.2 -61.8 125.0 -24.4 15.1 98.4 975 142 D V - 0 0 8 -30,-3.3 2,-0.2 -2,-0.2 7,-0.1 -0.981 27.2-130.4-132.8 119.2 -26.1 15.3 101.8 976 143 D V - 0 0 96 -2,-0.4 2,-1.7 1,-0.1 9,-0.2 -0.475 32.4-111.1 -67.3 134.6 -25.1 12.8 104.6 977 144 D N S S+ 0 0 15 -2,-0.2 58,-1.6 4,-0.1 2,-0.3 -0.520 80.4 96.6 -79.3 79.6 -28.3 11.3 106.1 978 145 D N S > S- 0 0 38 -2,-1.7 4,-2.7 56,-0.2 5,-0.2 -0.935 82.6-106.2-155.4 156.5 -28.3 12.8 109.7 979 146 D A H > S+ 0 0 53 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.869 117.2 47.8 -57.6 -44.1 -30.2 15.9 111.2 980 147 D E H > S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.918 117.2 41.1 -64.4 -48.7 -27.0 18.1 111.4 981 148 D D H > S+ 0 0 67 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.847 111.1 57.1 -72.3 -32.7 -25.8 17.4 107.8 982 149 D A H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.846 108.6 49.0 -64.2 -32.9 -29.4 17.6 106.4 983 150 D L H X S+ 0 0 65 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.934 115.0 41.6 -70.3 -49.9 -29.5 21.2 107.9 984 151 D M H X S+ 0 0 113 -4,-1.9 4,-1.4 1,-0.2 3,-0.2 0.887 115.0 53.4 -63.6 -40.6 -26.2 22.2 106.3 985 152 D G H X S+ 0 0 4 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.882 103.6 55.3 -60.0 -44.0 -27.1 20.5 103.1 986 153 D A H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.814 106.1 52.0 -60.9 -35.3 -30.5 22.4 102.8 987 154 D F H X S+ 0 0 96 -4,-1.2 4,-2.6 -3,-0.2 -1,-0.2 0.871 109.7 49.4 -67.6 -39.0 -28.5 25.7 103.0 988 155 D V H X S+ 0 0 18 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.945 114.1 45.0 -64.2 -48.5 -26.2 24.5 100.1 989 156 D I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.892 114.6 48.0 -63.2 -45.2 -29.3 23.5 98.0 990 157 D T H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.948 113.4 47.3 -62.5 -50.9 -31.2 26.8 98.8 991 158 D D H X S+ 0 0 74 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.826 113.2 50.6 -60.9 -32.2 -28.1 28.9 98.0 992 159 D M H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.912 112.3 44.6 -71.4 -44.6 -27.7 26.9 94.7 993 160 D I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.852 112.9 53.0 -68.8 -32.7 -31.3 27.4 93.6 994 161 D N H X S+ 0 0 43 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.887 108.8 48.3 -67.1 -41.3 -31.1 31.1 94.6 995 162 D M H < S+ 0 0 24 -4,-1.7 4,-0.5 1,-0.2 3,-0.3 0.908 114.5 47.0 -64.6 -41.8 -28.0 31.6 92.4 996 163 D M H >< S+ 0 0 1 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.848 107.7 55.6 -68.0 -38.2 -29.7 29.8 89.5 997 164 D A H 3< S+ 0 0 21 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.776 100.4 60.9 -64.1 -31.5 -33.0 31.9 90.0 998 165 D K T 3< S+ 0 0 166 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.671 83.0 103.3 -69.2 -24.9 -30.9 35.1 89.6 999 166 D S < - 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0 0 55 0, 0.0 -154,-0.3 0, 0.0 2,-0.2 -0.454 360.0-100.8 -74.1 146.2 -32.6 3.1 102.6 1032 4 F X - 0 0 56 -2,-0.1 -154,-0.2 -156,-0.1 -55,-0.1 -0.492 38.6-132.6 -67.3 127.6 -33.4 4.3 106.1 1033 5 F X S S+ 0 0 0 -156,-3.3 2,-0.2 -2,-0.2 -55,-0.1 -0.935 92.5 18.7-133.0 114.1 -34.0 8.1 106.3 1034 6 F P S S- 0 0 9 0, 0.0 -56,-0.2 0, 0.0 3,-0.1 0.590 110.2-108.5 -68.2 169.9 -32.6 9.5 108.5 1035 7 F S - 0 0 61 -58,-1.6 -2,-0.1 -2,-0.2 -157,-0.0 -0.317 53.1 -68.9 -64.5 152.2 -29.9 6.8 109.2 1036 8 F Y 0 0 100 -158,-0.1 -1,-0.1 -58,-0.1 -153,-0.1 -0.140 360.0 360.0 -50.2 134.7 -30.2 4.8 112.5 1037 9 F S 0 0 115 -157,-0.3 -155,-0.0 -3,-0.1 0, 0.0 -0.682 360.0 360.0 83.0 360.0 -29.6 6.8 115.8