==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 04-NOV-99 1DC1 . COMPND 2 MOLECULE: DNA (5'-D(*T*AP*TP*AP*CP*TP*CP*GP*AP*GP*TP*AP*T)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.J.VAN DER WOERD,J.J.PELLETIER,S.-Y.XU,A.M.FRIEDMAN . 621 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 79.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 32 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.3 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 0 0 2 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 2 2 2 2 0 2 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 . 0 0 0 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 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 5 A K > 0 0 129 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 100.6 33.1 65.9 13.0 2 6 A P G > + 0 0 31 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.826 360.0 60.9 -45.5 -45.7 36.5 64.6 11.6 3 7 A F G >> S+ 0 0 3 287,-0.6 4,-1.7 1,-0.3 3,-1.3 0.753 89.5 70.3 -60.7 -25.5 36.2 61.5 13.7 4 8 A E G <4 S+ 0 0 92 -3,-2.1 -1,-0.3 1,-0.3 287,-0.0 0.665 83.3 72.4 -69.6 -12.7 32.9 60.5 11.9 5 9 A N G <4 S+ 0 0 127 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.797 118.5 14.4 -68.8 -30.3 34.9 59.8 8.8 6 10 A H T <4 S+ 0 0 18 -3,-1.3 2,-0.4 -4,-0.3 -2,-0.2 0.443 120.8 64.6-125.7 -3.5 36.3 56.6 10.4 7 11 A L < + 0 0 2 -4,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.975 39.1 161.4-125.1 118.9 34.1 56.0 13.5 8 12 A K S S+ 0 0 162 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.694 71.6 16.1-104.6 -26.2 30.5 55.1 13.2 9 13 A S S > S- 0 0 51 1,-0.1 3,-1.7 0, 0.0 4,-0.4 -0.954 79.9-103.3-144.5 163.4 30.0 53.6 16.7 10 14 A V G > S+ 0 0 25 -2,-0.3 3,-1.6 1,-0.3 4,-0.3 0.856 118.1 56.4 -52.0 -39.7 31.7 53.4 20.1 11 15 A D G > S+ 0 0 63 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.645 84.4 78.2 -78.4 -6.8 32.8 49.9 19.3 12 16 A D G < S+ 0 0 29 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.764 93.5 56.6 -65.1 -21.1 34.6 50.9 16.2 13 17 A L G < S+ 0 0 0 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.714 85.0 105.9 -82.5 -18.5 37.3 52.1 18.7 14 18 A K S < S- 0 0 68 -3,-0.8 2,-0.2 -4,-0.3 259,-0.2 -0.373 72.2-123.6 -70.6 135.7 37.7 48.7 20.3 15 19 A T - 0 0 7 257,-2.4 2,-0.2 -2,-0.1 -1,-0.1 -0.529 28.9-126.2 -75.2 141.5 40.8 46.6 19.7 16 20 A T > - 0 0 44 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.518 14.7-117.8 -87.9 159.1 40.1 43.2 18.4 17 21 A Y H > S+ 0 0 110 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.890 115.6 56.6 -64.4 -34.6 41.4 39.9 19.9 18 22 A E H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 107.0 47.6 -64.9 -35.5 43.3 39.2 16.7 19 23 A E H > S+ 0 0 73 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.842 112.0 50.9 -72.8 -32.9 45.1 42.5 16.9 20 24 A Y H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.961 111.5 46.9 -66.6 -50.1 46.0 41.9 20.5 21 25 A R H X S+ 0 0 76 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.940 113.6 48.8 -56.7 -47.4 47.3 38.4 19.7 22 26 A A H X S+ 0 0 42 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.921 111.7 49.9 -60.0 -40.7 49.3 39.8 16.8 23 27 A G H X S+ 0 0 19 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.914 110.0 49.1 -62.6 -46.0 50.7 42.6 19.1 24 28 A F H X S+ 0 0 15 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.904 111.8 49.9 -61.2 -39.2 51.8 40.2 21.8 25 29 A I H X S+ 0 0 62 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.923 111.7 47.6 -66.5 -41.9 53.5 38.0 19.2 26 30 A A H X S+ 0 0 59 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.878 110.6 51.7 -68.6 -36.0 55.4 41.0 17.7 27 31 A F H X S+ 0 0 59 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.924 110.5 49.1 -64.7 -42.2 56.4 42.2 21.2 28 32 A A H X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.888 109.0 52.9 -64.8 -40.6 57.8 38.7 22.0 29 33 A L H X S+ 0 0 97 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.918 112.1 45.0 -62.1 -40.9 59.7 38.6 18.7 30 34 A E H X S+ 0 0 34 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.889 110.0 55.1 -71.1 -38.2 61.3 42.0 19.5 31 35 A K H X S+ 0 0 6 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.899 107.7 49.4 -60.1 -42.6 62.1 40.9 23.1 32 36 A N H X S+ 0 0 23 -4,-2.4 4,-0.8 1,-0.2 3,-0.3 0.907 110.3 51.4 -65.7 -37.6 64.0 37.9 21.8 33 37 A K H < S+ 0 0 131 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.908 114.4 43.0 -63.2 -41.4 65.9 40.1 19.4 34 38 A R H < S+ 0 0 119 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.616 100.6 73.9 -82.0 -10.3 66.8 42.4 22.3 35 39 A S H >X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.3 3,-1.1 0.830 75.9 76.2 -72.2 -35.2 67.7 39.6 24.7 36 40 A T H 3X S+ 0 0 62 -4,-0.8 4,-2.7 -3,-0.4 5,-0.2 0.837 90.2 52.8 -50.4 -46.2 71.0 38.5 23.2 37 41 A P H 3> S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.845 109.2 53.2 -61.1 -29.4 73.2 41.4 24.5 38 42 A Y H <> S+ 0 0 19 -3,-1.1 4,-1.7 -4,-0.4 -2,-0.2 0.941 111.6 42.9 -67.8 -48.4 71.8 40.6 28.0 39 43 A I H X S+ 0 0 5 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.891 113.8 52.4 -64.6 -39.5 72.8 36.9 27.9 40 44 A E H X S+ 0 0 137 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.877 107.1 51.8 -65.7 -37.5 76.1 37.7 26.3 41 45 A R H X S+ 0 0 105 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.876 109.2 51.3 -65.7 -34.6 76.9 40.2 29.1 42 46 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.916 110.0 49.2 -67.0 -41.3 76.0 37.3 31.6 43 47 A R H X S+ 0 0 63 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.938 113.8 45.9 -61.2 -44.1 78.5 35.0 29.7 44 48 A A H X S+ 0 0 60 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.872 109.8 54.2 -68.9 -35.5 81.2 37.7 29.8 45 49 A L H X S+ 0 0 12 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.891 107.5 51.5 -63.9 -41.7 80.4 38.4 33.5 46 50 A K H X S+ 0 0 59 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.913 108.8 50.4 -62.8 -39.7 80.9 34.7 34.2 47 51 A V H < S+ 0 0 110 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.944 116.6 40.9 -62.1 -46.0 84.3 34.7 32.4 48 52 A A H >< S+ 0 0 24 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.872 116.6 48.1 -68.1 -40.5 85.4 37.7 34.4 49 53 A A H >< S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.2 -1,-0.2 0.781 94.4 76.6 -71.5 -28.4 84.0 36.6 37.8 50 54 A S T 3< S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.646 77.8 73.0 -60.6 -17.1 85.5 33.1 37.4 51 55 A V T < S+ 0 0 96 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.3 0.784 79.9 88.8 -66.1 -30.3 88.9 34.5 38.3 52 56 A A < - 0 0 6 -3,-2.1 55,-0.1 -4,-0.2 6,-0.0 -0.541 58.7-167.6 -72.9 131.1 87.7 34.8 42.0 53 57 A K S S+ 0 0 165 -2,-0.3 -1,-0.2 1,-0.1 -3,-0.0 0.702 76.8 29.0 -93.0 -18.7 88.2 31.6 43.9 54 58 A T S >> S- 0 0 62 1,-0.1 3,-0.9 52,-0.0 4,-0.7 -0.947 85.3-112.2-136.0 154.7 86.0 32.8 46.7 55 59 A P G >4 S+ 0 0 14 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.892 119.4 56.0 -53.1 -39.6 82.9 35.2 46.9 56 60 A K G >4 S+ 0 0 89 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.844 96.6 65.3 -61.7 -32.0 85.1 37.6 48.9 57 61 A D G X4 S+ 0 0 62 -3,-0.9 3,-2.0 1,-0.3 4,-0.3 0.778 86.1 71.7 -60.0 -26.4 87.5 37.6 46.0 58 62 A L G X< S+ 0 0 0 -3,-1.3 3,-1.1 -4,-0.7 -1,-0.3 0.757 83.2 70.5 -63.5 -23.1 84.9 39.2 43.8 59 63 A L G < S+ 0 0 47 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.684 95.7 53.5 -66.8 -15.8 85.3 42.4 45.7 60 64 A Y G < S+ 0 0 176 -3,-2.0 2,-1.2 -4,-0.2 -1,-0.2 0.497 82.4 90.4-100.6 -1.5 88.7 42.9 44.1 61 65 A L X - 0 0 29 -3,-1.1 3,-1.9 -4,-0.3 4,-0.3 -0.739 57.1-173.0 -96.3 89.3 87.7 42.5 40.4 62 66 A E G > S+ 0 0 175 -2,-1.2 3,-1.4 1,-0.3 4,-0.3 0.834 75.7 66.6 -51.1 -38.3 87.0 46.2 39.7 63 67 A D G 3 S+ 0 0 123 1,-0.2 -1,-0.3 -3,-0.1 4,-0.2 0.663 104.0 43.3 -62.4 -16.9 85.6 45.4 36.3 64 68 A I G <> S+ 0 0 5 -3,-1.9 4,-2.6 -6,-0.2 -1,-0.2 0.334 79.5 104.2-111.4 6.8 82.5 43.6 37.7 65 69 A Q H <> S+ 0 0 47 -3,-1.4 4,-2.2 -4,-0.3 5,-0.2 0.891 81.0 50.0 -59.5 -41.3 81.5 45.9 40.5 66 70 A D H > S+ 0 0 119 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.919 112.5 47.2 -62.7 -43.9 78.6 47.4 38.7 67 71 A A H > S+ 0 0 16 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.881 109.9 54.4 -64.1 -38.1 77.2 43.9 37.8 68 72 A L H X S+ 0 0 1 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.916 108.8 48.3 -60.0 -45.6 77.8 42.8 41.4 69 73 A L H <>S+ 0 0 7 -4,-2.2 5,-1.4 -5,-0.2 3,-0.2 0.931 113.2 48.1 -62.2 -45.5 75.7 45.8 42.6 70 74 A Y H ><5S+ 0 0 17 -4,-2.4 3,-1.8 1,-0.2 4,-0.2 0.941 110.6 49.3 -61.5 -48.6 73.0 44.9 40.1 71 75 A A H 3<5S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.755 99.3 69.4 -60.2 -24.8 73.0 41.2 41.1 72 76 A S T 3<5S- 0 0 3 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.392 128.2 -94.3 -75.5 3.8 72.7 42.4 44.7 73 77 A G T < 5S+ 0 0 2 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.587 83.1 133.8 95.9 12.7 69.2 43.5 43.9 74 78 A I < - 0 0 7 -5,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 -0.854 41.1-154.0-102.2 108.9 69.8 47.2 43.0 75 79 A S > - 0 0 31 -2,-0.7 4,-2.2 1,-0.1 43,-0.1 -0.313 30.8-111.2 -70.6 162.4 68.1 48.4 39.8 76 80 A D H > S+ 0 0 91 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.838 121.1 55.7 -65.8 -28.9 69.8 51.4 38.0 77 81 A K H >4 S+ 0 0 90 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.951 110.5 42.5 -67.8 -45.7 66.8 53.5 39.0 78 82 A A H >4 S+ 0 0 6 1,-0.2 3,-1.9 2,-0.2 4,-0.4 0.834 102.8 70.4 -66.8 -33.5 67.3 52.6 42.7 79 83 A K H >< S+ 0 0 53 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.837 85.2 68.0 -54.8 -36.1 71.1 53.1 42.4 80 84 A K T << S+ 0 0 124 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.750 101.6 45.9 -56.0 -28.7 70.6 56.8 42.0 81 85 A F T < S+ 0 0 22 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.2 0.452 94.3 97.1 -98.0 -0.5 69.4 57.2 45.6 82 86 A L < - 0 0 16 -3,-1.5 2,-0.1 -4,-0.4 252,-0.0 -0.677 65.1-137.7 -93.8 141.6 72.1 55.1 47.2 83 87 A T > - 0 0 52 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.386 36.9-100.9 -83.6 168.8 75.3 56.4 48.8 84 88 A E H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.894 126.4 52.5 -59.1 -37.1 78.6 54.5 48.1 85 89 A D H > S+ 0 0 117 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.837 105.3 54.7 -65.5 -36.5 78.3 52.8 51.6 86 90 A D H > S+ 0 0 22 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.936 111.1 45.8 -61.5 -48.1 74.7 51.7 50.7 87 91 A K H X S+ 0 0 41 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.909 111.7 49.9 -60.0 -48.4 76.0 50.1 47.6 88 92 A K H X S+ 0 0 126 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.912 112.6 49.8 -54.7 -47.4 79.0 48.4 49.5 89 93 A E H X S+ 0 0 107 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.903 108.4 51.3 -61.5 -44.8 76.6 47.2 52.0 90 94 A S H X S+ 0 0 12 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.922 110.5 49.2 -59.8 -44.8 74.3 45.8 49.3 91 95 A I H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.909 109.2 52.1 -64.9 -38.5 77.1 43.9 47.7 92 96 A N H X S+ 0 0 50 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.879 106.8 54.2 -65.2 -34.0 78.2 42.5 51.0 93 97 A N H X S+ 0 0 53 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.897 107.4 50.5 -65.2 -39.3 74.7 41.2 51.6 94 98 A L H X>S+ 0 0 4 -4,-1.9 5,-2.3 3,-0.2 4,-2.2 0.955 113.9 45.3 -62.4 -47.6 74.8 39.4 48.3 95 99 A I H <>S+ 0 0 0 -4,-2.3 5,-2.7 3,-0.2 -2,-0.2 0.968 121.9 35.3 -59.8 -53.3 78.1 37.9 49.3 96 100 A E H <5S+ 0 0 99 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.883 124.3 40.4 -73.4 -37.0 77.1 36.8 52.8 97 101 A N H <5S+ 0 0 93 -4,-3.0 -3,-0.2 -5,-0.3 -1,-0.2 0.746 134.2 4.8 -85.8 -28.1 73.5 36.0 52.1 98 102 A F T X5S+ 0 0 34 -4,-2.2 4,-1.1 -5,-0.4 -3,-0.2 0.723 122.8 49.0-125.8 -44.8 73.7 34.2 48.8 99 103 A L T 44< S+ 0 0 24 -4,-1.1 3,-2.9 -3,-0.3 -2,-0.2 0.561 85.5 178.0 -76.4 -9.7 76.0 28.6 47.4 103 107 A G G X + 0 0 37 -3,-1.5 3,-1.4 -4,-0.4 -1,-0.2 -0.167 66.9 11.8 49.5-113.4 79.5 27.4 48.2 104 108 A E G 3 S+ 0 0 170 1,-0.3 3,-0.4 -3,-0.1 -1,-0.3 0.752 131.3 55.4 -65.2 -25.5 80.9 25.6 45.2 105 109 A E G <> S+ 0 0 100 -3,-2.9 4,-2.0 1,-0.2 -1,-0.3 0.072 71.9 117.4 -95.4 24.1 78.1 27.0 43.0 106 110 A F H <> + 0 0 12 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.809 69.2 53.7 -63.3 -31.7 78.8 30.6 44.0 107 111 A I H > S+ 0 0 21 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.965 112.6 44.1 -69.0 -47.6 79.7 31.9 40.4 108 112 A D H > S+ 0 0 16 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.864 109.5 58.1 -63.2 -34.4 76.4 30.5 39.0 109 113 A E H X S+ 0 0 20 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.955 110.3 43.8 -57.5 -46.8 74.6 31.9 42.0 110 114 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.939 115.6 46.5 -62.3 -48.6 76.0 35.3 41.0 111 115 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.920 112.7 49.8 -60.5 -44.3 75.2 34.9 37.3 112 116 A F H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.889 114.5 45.0 -61.2 -42.8 71.7 33.6 37.9 113 117 A R H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.3 5,-0.3 0.887 110.1 54.0 -69.3 -42.1 71.0 36.6 40.2 114 118 A Y H X S+ 0 0 17 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.932 114.5 42.4 -55.2 -48.4 72.6 39.1 37.8 115 119 A L H X S+ 0 0 0 -4,-2.5 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0 0 5 -26,-1.6 -25,-0.2 -2,-0.7 -1,-0.1 0.698 95.6 60.0 -60.0 -22.2 46.4 52.6 16.2 296 308 A T T 3 S+ 0 0 18 -27,-0.4 2,-0.7 -26,-0.2 -1,-0.3 0.516 91.7 79.5 -83.3 -5.0 45.9 48.9 15.1 297 309 A K X> - 0 0 50 -3,-2.1 4,-2.3 1,-0.2 3,-0.9 -0.867 64.6-163.9-110.3 100.8 43.2 50.0 12.6 298 310 A T H 3> S+ 0 0 107 -2,-0.7 4,-3.0 1,-0.3 5,-0.2 0.833 86.4 54.9 -52.9 -40.8 44.8 51.3 9.4 299 311 A E H 3> S+ 0 0 173 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.875 111.1 47.1 -64.3 -33.3 41.7 52.9 8.0 300 312 A Q H <> S+ 0 0 11 -3,-0.9 4,-2.5 -6,-0.2 -2,-0.2 0.933 113.3 46.9 -71.5 -46.0 41.3 54.9 11.3 301 313 A V H X S+ 0 0 9 -4,-2.3 4,-2.8 -7,-0.4 5,-0.2 0.938 113.6 49.0 -63.2 -44.6 44.9 55.9 11.4 302 314 A G H X S+ 0 0 18 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.933 111.6 48.4 -59.8 -47.2 44.9 57.0 7.7 303 315 A S H X S+ 0 0 8 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.918 113.3 47.8 -60.2 -44.0 41.7 59.0 8.1 304 316 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.919 112.8 48.8 -63.4 -43.9 43.1 60.8 11.2 305 317 A C H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.857 109.4 51.1 -66.2 -38.1 46.5 61.5 9.5 306 318 A R H X S+ 0 0 137 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.929 112.6 47.8 -63.7 -41.9 44.8 62.9 6.3 307 319 A W H < S+ 0 0 47 -4,-2.0 3,-0.4 -5,-0.2 4,-0.4 0.911 110.0 52.2 -62.4 -44.1 42.8 65.1 8.6 308 320 A I H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.902 106.8 52.7 -58.8 -44.1 45.9 66.2 10.6 309 321 A I H 3< S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.781 111.6 47.1 -63.3 -28.0 47.7 67.2 7.4 310 322 A N T 3< 0 0 81 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.346 360.0 360.0 -96.3 2.8 44.8 69.4 6.4 311 323 A I < 0 0 25 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.850 360.0 360.0 -69.0 360.0 44.4 71.1 9.7 312 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 313 4 B Q 0 0 222 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -72.9 40.3 73.9 60.6 314 5 B K >> - 0 0 121 1,-0.1 3,-0.9 3,-0.1 4,-0.7 -0.269 360.0-106.6 -55.9 152.0 39.6 72.0 57.4 315 6 B P G >4 S+ 0 0 34 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.934 120.4 45.6 -48.8 -57.2 40.6 68.3 57.9 316 7 B F G >> S+ 0 0 4 287,-0.6 4,-2.0 1,-0.3 3,-1.1 0.730 99.4 71.1 -60.5 -24.2 43.7 68.5 55.8 317 8 B E G <4 S+ 0 0 67 -3,-0.9 -1,-0.3 1,-0.3 -3,-0.1 0.680 83.3 72.8 -68.4 -16.1 44.8 71.8 57.5 318 9 B N G << S+ 0 0 103 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.846 119.1 12.0 -66.8 -32.4 45.5 69.8 60.7 319 10 B H T <4 S+ 0 0 19 -3,-1.1 2,-0.5 -4,-0.4 -2,-0.2 0.492 121.1 68.2-123.5 -4.2 48.6 68.3 59.1 320 11 B L < + 0 0 2 -4,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.967 38.8 157.5-120.1 119.1 49.2 70.4 56.0 321 12 B K S S+ 0 0 135 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.639 70.9 17.2-109.6 -21.4 50.2 74.1 56.2 322 13 B S S >> S- 0 0 52 1,-0.1 3,-1.9 0, 0.0 4,-0.5 -0.966 80.4-103.3-147.8 161.7 51.8 74.5 52.8 323 14 B V G >4 S+ 0 0 32 -2,-0.3 3,-1.4 1,-0.3 4,-0.3 0.873 119.1 53.3 -52.7 -43.0 51.9 72.8 49.4 324 15 B D G 34 S+ 0 0 71 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.572 84.8 80.7 -80.9 2.1 55.3 71.4 50.0 325 16 B D G <4 S+ 0 0 49 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.832 94.5 54.5 -66.8 -25.9 54.2 69.8 53.3 326 17 B L S << S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.728 86.0 105.8 -77.7 -23.3 52.9 67.1 50.8 327 18 B K S S- 0 0 59 -3,-0.5 259,-0.2 -4,-0.3 2,-0.2 -0.348 72.6-122.8 -64.5 134.6 56.2 66.6 49.1 328 19 B T - 0 0 7 257,-2.4 2,-0.1 -2,-0.1 259,-0.1 -0.529 32.0-124.5 -74.6 142.1 58.2 63.3 49.7 329 20 B T > - 0 0 63 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.447 14.9-113.6 -87.5 163.0 61.7 64.1 51.0 330 21 B Y H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.915 117.4 51.0 -59.2 -43.3 65.0 62.8 49.5 331 22 B E H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.866 107.9 51.8 -65.4 -33.3 65.7 60.7 52.6 332 23 B E H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.870 109.7 50.6 -69.2 -37.9 62.2 59.1 52.5 333 24 B Y H X S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.952 112.0 46.1 -63.9 -50.2 62.8 58.2 48.8 334 25 B R H X S+ 0 0 63 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.942 112.5 51.2 -58.4 -46.5 66.2 56.6 49.6 335 26 B A H X S+ 0 0 44 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.914 111.2 48.8 -56.6 -43.4 64.7 54.7 52.6 336 27 B G H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.919 110.2 49.5 -63.7 -45.6 61.9 53.4 50.3 337 28 B F H X S+ 0 0 11 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.920 111.8 49.8 -61.7 -41.4 64.3 52.3 47.6 338 29 B I H X S+ 0 0 52 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.923 112.1 46.7 -62.6 -44.3 66.4 50.4 50.2 339 30 B A H X S+ 0 0 57 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.868 110.4 54.0 -65.4 -37.0 63.4 48.7 51.7 340 31 B F H X S+ 0 0 58 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.929 109.4 48.2 -62.1 -43.5 62.1 47.7 48.2 341 32 B A H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.868 109.1 53.2 -65.3 -39.5 65.5 46.1 47.5 342 33 B L H X S+ 0 0 81 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.913 112.0 44.5 -63.3 -40.6 65.5 44.2 50.8 343 34 B E H X S+ 0 0 33 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.905 110.1 55.6 -70.5 -40.7 62.1 42.8 50.0 344 35 B K H X S+ 0 0 10 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.912 108.1 48.9 -55.6 -46.1 63.1 42.0 46.4 345 36 B N H X S+ 0 0 18 -4,-2.4 4,-0.8 1,-0.2 3,-0.2 0.897 110.3 50.9 -64.2 -37.2 66.1 40.0 47.7 346 37 B K H < S+ 0 0 145 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.886 114.3 44.2 -63.3 -41.4 63.8 38.1 50.1 347 38 B R H < S+ 0 0 121 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.629 100.3 73.5 -76.8 -17.5 61.4 37.3 47.3 348 39 B S H >X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.2 3,-1.2 0.822 75.6 76.4 -67.4 -38.8 64.2 36.3 44.8 349 40 B T H 3X S+ 0 0 62 -4,-0.8 4,-2.8 -3,-0.3 5,-0.2 0.839 90.3 53.1 -46.8 -50.4 65.2 32.9 46.3 350 41 B P H 3> S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.839 109.4 52.5 -59.6 -28.4 62.2 30.9 45.0 351 42 B Y H <> S+ 0 0 18 -3,-1.2 4,-1.7 -4,-0.4 -2,-0.2 0.929 111.7 43.7 -70.7 -44.6 63.1 32.1 41.5 352 43 B I H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.901 113.9 50.9 -66.3 -39.9 66.7 31.1 41.7 353 44 B E H X S+ 0 0 135 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.902 107.7 52.4 -67.0 -38.3 65.8 27.7 43.2 354 45 B R H X S+ 0 0 111 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.881 109.7 50.3 -63.0 -35.4 63.2 27.1 40.5 355 46 B A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.912 110.4 49.4 -66.7 -41.7 66.1 27.8 38.0 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2,-0.7 1,-0.2 -3,-0.2 0.614 84.3 132.6 99.9 13.3 60.2 34.9 25.5 387 78 B I < - 0 0 7 -5,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 -0.873 40.9-154.9-105.8 107.4 56.5 34.4 26.5 388 79 B S > - 0 0 32 -2,-0.7 4,-2.4 1,-0.1 5,-0.1 -0.294 30.8-113.2 -69.9 159.6 55.3 36.1 29.7 389 80 B D H > S+ 0 0 87 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.863 120.8 56.6 -65.6 -27.6 52.3 34.5 31.5 390 81 B K H >4 S+ 0 0 92 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.945 111.3 41.8 -65.6 -46.4 50.4 37.7 30.5 391 82 B A H >4 S+ 0 0 8 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.853 102.1 69.6 -67.8 -34.2 51.2 37.1 26.8 392 83 B K H >< S+ 0 0 67 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.821 85.3 69.6 -56.8 -31.0 50.5 33.4 27.0 393 84 B K T << S+ 0 0 133 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.751 100.9 47.3 -57.3 -28.6 46.8 34.1 27.5 394 85 B F T < S+ 0 0 22 -3,-2.0 2,-0.3 -4,-0.3 -1,-0.3 0.450 94.4 94.1 -94.9 -4.1 46.6 35.3 23.9 395 86 B L < - 0 0 17 -3,-1.7 2,-0.1 -4,-0.3 -374,-0.0 -0.716 65.8-135.4 -97.6 144.4 48.5 32.4 22.2 396 87 B T > - 0 0 57 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.407 38.2-100.1 -81.8 167.0 47.0 29.2 20.6 397 88 B E H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 126.3 53.5 -55.0 -40.0 48.7 25.9 21.4 398 89 B D H > S+ 0 0 122 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.865 105.7 51.2 -60.9 -43.4 50.4 26.2 17.9 399 90 B D H > S+ 0 0 16 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 111.4 49.1 -62.4 -44.2 51.8 29.6 18.7 400 91 B K H X S+ 0 0 66 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.931 112.0 46.3 -61.0 -49.1 53.2 28.2 22.0 401 92 B K H X S+ 0 0 116 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.909 112.6 52.6 -61.5 -38.1 54.9 25.2 20.3 402 93 B E H X S+ 0 0 111 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.919 106.7 51.5 -64.8 -42.7 56.2 27.5 17.7 403 94 B S H X S+ 0 0 12 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.903 110.1 49.7 -60.2 -41.9 57.7 29.8 20.3 404 95 B I H X S+ 0 0 12 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.924 109.4 51.1 -66.4 -40.8 59.4 26.8 21.9 405 96 B N H X S+ 0 0 63 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.889 107.1 54.7 -62.2 -35.4 60.8 25.7 18.6 406 97 B N H X S+ 0 0 63 -4,-2.2 4,-3.3 1,-0.2 5,-0.4 0.913 107.4 50.0 -63.9 -39.5 62.2 29.2 18.0 407 98 B L H X>S+ 0 0 2 -4,-1.9 5,-2.3 2,-0.2 4,-2.0 0.942 113.7 45.4 -63.5 -47.4 64.0 29.0 21.3 408 99 B I H <>S+ 0 0 4 -4,-2.3 5,-2.8 3,-0.2 -2,-0.2 0.958 121.8 36.5 -61.3 -49.0 65.5 25.6 20.4 409 100 B E H <5S+ 0 0 113 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.857 123.9 39.3 -75.3 -35.4 66.5 26.6 16.8 410 101 B N H <5S+ 0 0 89 -4,-3.3 -3,-0.2 -5,-0.3 -1,-0.2 0.755 134.7 5.7 -88.7 -26.0 67.5 30.2 17.4 411 102 B F T X5S+ 0 0 31 -4,-2.0 4,-1.2 -5,-0.4 -3,-0.2 0.739 122.0 48.7-125.4 -44.5 69.3 29.9 20.7 412 103 B L T 44< S+ 0 0 23 -4,-1.2 3,-3.1 -3,-0.4 -2,-0.2 0.549 85.9 179.8 -76.2 -9.2 74.8 27.4 22.1 416 107 B G G X + 0 0 40 -3,-1.9 3,-1.4 -4,-0.4 -1,-0.2 -0.168 67.8 10.6 49.8-114.8 75.9 23.9 21.2 417 108 B E G 3 S+ 0 0 188 1,-0.3 3,-0.4 -3,-0.1 -1,-0.3 0.717 131.1 57.5 -66.3 -21.3 77.6 22.4 24.3 418 109 B E G <> S+ 0 0 96 -3,-3.1 4,-2.1 1,-0.2 -1,-0.3 0.119 70.1 116.8 -95.8 22.1 76.3 25.3 26.4 419 110 B F H <> + 0 0 16 -3,-1.4 4,-2.1 2,-0.2 -1,-0.2 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309 B K X> - 0 0 49 -3,-2.1 4,-2.3 1,-0.2 3,-1.1 -0.862 65.2-162.1-112.0 100.2 54.9 61.1 56.9 611 310 B T H 3> S+ 0 0 119 -2,-0.7 4,-2.8 1,-0.3 5,-0.2 0.791 87.1 54.7 -43.7 -45.8 53.6 59.7 60.1 612 311 B E H 3> S+ 0 0 173 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.861 110.8 46.5 -66.1 -32.2 52.0 62.8 61.4 613 312 B Q H <> S+ 0 0 12 -3,-1.1 4,-2.6 -6,-0.2 -2,-0.2 0.919 113.3 47.8 -73.6 -44.2 50.0 63.2 58.2 614 313 B V H X S+ 0 0 7 -4,-2.3 4,-2.7 -7,-0.4 5,-0.2 0.939 113.6 48.4 -61.7 -45.7 48.9 59.7 58.1 615 314 B G H X S+ 0 0 36 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.913 112.1 47.7 -60.2 -46.2 47.9 59.8 61.8 616 315 B S H X S+ 0 0 18 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.921 113.6 48.3 -61.5 -44.2 46.0 63.0 61.5 617 316 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.911 112.6 48.7 -65.0 -41.5 44.2 61.7 58.4 618 317 B C H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.871 109.8 50.3 -66.0 -40.7 43.3 58.3 60.1 619 318 B R H X S+ 0 0 182 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.929 112.7 48.7 -64.4 -40.2 42.0 60.0 63.3 620 319 B W H < S+ 0 0 48 -4,-2.1 4,-0.5 -5,-0.2 3,-0.5 0.917 109.6 52.3 -63.3 -43.7 39.9 62.2 61.0 621 320 B I H >< S+ 0 0 1 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.900 106.4 52.9 -59.5 -43.0 38.6 59.1 59.1 622 321 B I H 3< S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.769 111.5 47.0 -64.4 -26.9 37.6 57.3 62.2 623 322 B N T 3< 0 0 80 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.418 360.0 360.0 -98.0 1.0 35.5 60.3 63.2 624 323 B I < 0 0 33 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.680 360.0 360.0 -63.2 360.0 33.8 60.9 59.9