==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 19-APR-96 7ICK . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.PELLETIER,M.R.SAWAYA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.6 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 . 2 0.6 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 2 1 1 2 2 1 0 1 2 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 1 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 1 0 2 1 1 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 1 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 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 9 A E 0 0 218 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -9.4 67.2 58.1 57.0 2 10 A T + 0 0 121 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.163 360.0 78.4-175.4 -1.1 67.0 59.1 60.6 3 11 A L S S+ 0 0 59 36,-0.1 42,-0.3 38,-0.1 4,-0.1 0.702 113.9 18.5 -94.9 -18.0 64.9 62.1 60.6 4 12 A N S > S+ 0 0 9 40,-0.1 4,-3.1 35,-0.1 5,-0.3 0.127 92.5 121.6-136.1 17.6 61.6 60.1 60.3 5 13 A G H > + 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.882 69.9 49.9 -45.8 -63.6 63.1 56.9 61.5 6 14 A G H > S+ 0 0 39 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.908 114.4 48.8 -47.6 -48.6 60.9 56.2 64.5 7 15 A I H > S+ 0 0 8 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.928 111.7 45.9 -60.4 -50.5 57.9 56.8 62.3 8 16 A T H X S+ 0 0 18 -4,-3.1 4,-1.4 1,-0.2 -1,-0.3 0.781 115.5 51.1 -66.2 -22.2 59.1 54.6 59.6 9 17 A D H X S+ 0 0 100 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.968 108.6 44.8 -78.2 -46.4 59.8 52.1 62.2 10 18 A M H X S+ 0 0 4 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.927 113.4 55.0 -56.1 -45.4 56.6 52.0 64.2 11 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.850 105.8 51.2 -54.7 -42.6 54.9 51.9 60.8 12 20 A T H X S+ 0 0 62 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.979 109.1 50.1 -63.8 -52.2 57.0 48.9 59.9 13 21 A E H X S+ 0 0 73 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.930 114.0 47.5 -47.2 -52.3 56.0 47.0 63.2 14 22 A L H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.918 111.1 49.2 -56.1 -49.4 52.4 47.8 62.4 15 23 A A H X S+ 0 0 3 -4,-2.9 4,-1.6 1,-0.2 3,-0.4 0.957 111.2 50.9 -56.9 -51.4 52.6 46.7 58.8 16 24 A N H X S+ 0 0 81 -4,-2.9 4,-2.8 1,-0.3 5,-0.3 0.907 106.4 52.0 -50.7 -53.9 54.2 43.5 59.7 17 25 A F H X>S+ 0 0 37 -4,-2.6 4,-3.1 -5,-0.2 5,-1.6 0.870 104.5 57.6 -55.1 -39.8 51.8 42.5 62.3 18 26 A E H <5S+ 0 0 7 -4,-1.7 4,-0.3 -3,-0.4 -1,-0.2 0.974 113.4 38.8 -54.1 -56.1 48.9 43.0 59.9 19 27 A K H <5S+ 0 0 83 -4,-1.6 -2,-0.2 5,-0.3 -1,-0.2 0.923 124.0 38.9 -58.1 -55.3 50.2 40.6 57.5 20 28 A N H <5S+ 0 0 22 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.819 129.6 21.0 -68.4 -42.3 51.6 38.0 60.1 21 29 A V T <5S+ 0 0 30 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.853 130.7 29.9 -97.1 -53.4 48.9 38.0 62.8 22 30 A S S + 0 0 24 1,-0.2 4,-4.2 -6,-0.2 5,-0.3 0.078 9.3 160.3 -26.4 57.8 45.4 42.3 56.7 25 33 A I H > S+ 0 0 91 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.856 78.5 50.0 -56.0 -34.9 47.3 42.3 53.4 26 34 A H H > S+ 0 0 150 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.988 115.0 40.3 -69.8 -52.6 45.7 45.5 52.6 27 35 A K H > S+ 0 0 112 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.887 117.1 51.2 -60.0 -41.7 46.4 47.2 55.8 28 36 A Y H X S+ 0 0 33 -4,-4.2 4,-1.5 1,-0.3 -1,-0.2 0.963 109.9 46.3 -60.5 -50.5 49.7 45.7 55.8 29 37 A N H X S+ 0 0 77 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.3 0.829 110.0 60.2 -59.7 -30.2 50.4 46.9 52.4 30 38 A A H >X S+ 0 0 31 -4,-2.2 4,-1.9 1,-0.2 3,-0.6 0.993 102.1 48.0 -61.5 -61.7 49.0 50.2 53.6 31 39 A Y H 3X S+ 0 0 14 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.766 109.8 60.2 -49.5 -29.8 51.6 50.7 56.4 32 40 A R H 3X S+ 0 0 145 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.904 103.0 40.9 -71.5 -45.9 54.2 49.9 53.9 33 41 A K H S- 0 0 39 1,-0.2 4,-1.4 -3,-0.0 -1,-0.2 -0.995 70.1 -99.3-171.8 169.7 52.8 66.4 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 3,-2.1 0.993 116.8 47.7 -57.1 -71.5 50.1 64.2 61.9 49 57 A A H 3> S+ 0 0 62 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.769 106.7 61.4 -41.1 -36.0 48.5 66.6 59.5 50 58 A E H 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.900 110.5 38.3 -62.0 -42.6 51.8 67.3 58.1 51 59 A A H X< S+ 0 0 0 -3,-2.1 3,-4.8 -4,-1.4 -2,-0.2 0.886 101.9 70.3 -73.2 -43.0 52.3 63.8 57.1 52 60 A K H 3< S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.742 86.2 72.4 -41.1 -34.6 48.8 63.3 56.0 53 61 A K T 3< S+ 0 0 166 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.641 84.1 87.6 -58.7 -22.2 49.7 65.5 53.2 54 62 A L S X S- 0 0 34 -3,-4.8 3,-0.8 1,-0.1 2,-0.2 -0.522 91.0-103.4 -84.6 158.5 51.7 62.8 51.9 55 63 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.451 110.4 29.8 -74.4 144.7 50.3 60.2 49.6 56 64 A G T 3 S+ 0 0 30 1,-0.2 2,-1.1 -2,-0.2 -22,-0.2 0.275 99.0 117.8 85.2 -16.0 49.5 56.8 51.2 57 65 A V < + 0 0 9 -3,-0.8 -1,-0.2 -5,-0.2 2,-0.2 -0.734 40.3 161.1 -96.4 107.5 49.0 59.0 54.1 58 66 A G > - 0 0 29 -2,-1.1 4,-2.0 -3,-0.1 5,-0.2 -0.387 51.3 -78.1-107.3-172.6 45.6 58.8 55.3 59 67 A T H > S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 -7,-0.1 0.791 118.5 42.1 -61.5 -42.8 43.7 59.5 58.4 60 68 A K H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.863 114.8 50.6 -81.3 -30.9 44.5 56.6 60.8 61 69 A I H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.940 111.1 49.2 -63.5 -44.6 48.1 56.5 60.0 62 70 A A H X S+ 0 0 5 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.922 108.4 54.7 -57.0 -43.2 48.2 60.2 60.6 63 71 A E H X S+ 0 0 119 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.912 108.7 48.1 -56.2 -43.8 46.4 59.6 63.8 64 72 A K H X S+ 0 0 33 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.890 107.4 53.1 -66.0 -44.7 49.0 57.2 64.8 65 73 A I H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.901 107.0 56.7 -60.5 -37.1 51.9 59.4 63.9 66 74 A D H X S+ 0 0 71 -4,-2.5 4,-4.1 -5,-0.3 -2,-0.2 0.974 108.0 43.8 -57.3 -55.0 50.2 61.9 66.1 67 75 A E H X S+ 0 0 72 -4,-2.1 4,-2.7 1,-0.3 6,-0.5 0.827 115.2 50.3 -58.4 -37.9 50.1 59.7 69.2 68 76 A F H < S+ 0 0 56 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.926 115.1 41.5 -69.7 -42.0 53.6 58.6 68.6 69 77 A L H < S+ 0 0 60 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.954 114.0 53.3 -68.0 -44.6 54.8 62.1 68.2 70 78 A A H < S+ 0 0 87 -4,-4.1 2,-0.3 -5,-0.3 -2,-0.2 0.925 128.6 9.9 -53.1 -50.0 52.7 63.3 71.0 71 79 A T S < S- 0 0 69 -4,-2.7 2,-1.1 2,-0.4 -1,-0.2 -0.982 85.2-107.7-132.9 143.0 54.2 60.5 73.4 72 80 A G S S+ 0 0 67 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.324 96.5 52.7 -54.8 16.6 57.2 58.2 72.8 73 81 A K - 0 0 84 -2,-1.1 -2,-0.4 -6,-0.5 2,-0.4 -0.969 67.4-136.0-152.5 171.0 54.8 55.4 72.4 74 82 A L > - 0 0 4 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.984 14.5-144.4-127.6 131.1 51.8 53.9 70.8 75 83 A R H > S+ 0 0 173 -2,-0.4 4,-3.8 1,-0.2 5,-0.2 0.979 102.5 46.6 -59.4 -56.2 49.0 52.0 72.6 76 84 A K H > S+ 0 0 77 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.860 111.6 52.1 -53.7 -38.5 48.4 49.5 69.9 77 85 A L H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.948 113.3 46.4 -65.8 -41.5 52.1 48.9 69.5 78 86 A E H X S+ 0 0 76 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.941 111.3 49.3 -65.9 -44.0 52.1 48.3 73.2 79 87 A K H >X S+ 0 0 138 -4,-3.8 4,-1.8 1,-0.2 3,-1.4 0.974 112.4 48.2 -57.3 -54.3 49.1 46.0 73.2 80 88 A I H 3< S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.754 105.4 59.8 -54.0 -34.8 50.5 43.8 70.2 81 89 A R H 3< S+ 0 0 125 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.648 112.3 38.7 -71.8 -19.8 54.0 43.5 71.9 82 90 A Q H << S+ 0 0 138 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.1 0.929 85.3 107.1 -91.1 -60.9 52.5 41.8 74.9 83 91 A D X - 0 0 71 -4,-1.8 4,-2.0 -5,-0.1 3,-0.2 0.148 61.7-147.3 -22.7 109.4 49.8 39.6 73.4 84 92 A D H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.918 92.5 57.4 -56.5 -45.8 51.0 36.2 73.7 85 93 A T H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 107.5 46.7 -50.5 -46.1 49.4 35.1 70.5 86 94 A S H > S+ 0 0 2 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.956 111.1 53.2 -63.7 -42.2 51.1 37.6 68.5 87 95 A S H X S+ 0 0 50 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.886 107.0 52.7 -60.2 -38.2 54.3 36.7 70.1 88 96 A S H >X S+ 0 0 14 -4,-2.7 4,-3.1 1,-0.2 3,-0.5 0.941 104.8 53.3 -64.0 -44.1 53.9 33.2 69.3 89 97 A I H 3X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.905 108.1 51.2 -54.8 -47.0 53.3 33.7 65.8 90 98 A N H 3< S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.781 116.1 43.0 -60.7 -28.3 56.5 35.7 65.6 91 99 A F H X< S+ 0 0 62 -4,-1.5 3,-2.9 -3,-0.5 4,-0.3 0.943 109.1 50.4 -79.7 -59.4 58.4 33.0 67.2 92 100 A L H >< S+ 0 0 1 -4,-3.1 3,-2.4 1,-0.3 6,-0.2 0.890 102.5 67.0 -47.4 -42.8 57.1 29.8 65.5 93 101 A T T 3< S+ 0 0 42 -4,-1.8 -1,-0.3 -5,-0.3 4,-0.2 0.664 83.0 74.1 -54.1 -20.7 57.7 31.6 62.3 94 102 A R T < S+ 0 0 112 -3,-2.9 2,-0.5 -5,-0.1 -1,-0.3 0.706 75.3 97.4 -71.8 -15.8 61.5 31.4 63.0 95 103 A V S X S- 0 0 2 -3,-2.4 3,-3.1 -4,-0.3 2,-0.3 -0.644 87.8-115.2 -78.9 126.1 61.4 27.8 62.2 96 104 A S T 3 S+ 0 0 36 -2,-0.5 35,-0.4 1,-0.3 36,-0.1 -0.419 105.8 26.5 -57.9 118.3 62.5 27.1 58.7 97 105 A G T 3 S+ 0 0 30 1,-0.3 2,-0.7 -2,-0.3 -1,-0.3 0.129 97.5 101.0 112.2 -21.4 59.5 25.7 57.1 98 106 A I < - 0 0 8 -3,-3.1 -1,-0.3 -6,-0.2 -3,-0.0 -0.907 48.9-179.8-103.2 120.7 56.9 27.4 59.3 99 107 A G > - 0 0 31 -2,-0.7 4,-2.3 -3,-0.1 5,-0.1 -0.382 47.8 -90.6-101.2-175.7 55.4 30.5 57.6 100 108 A P H > S+ 0 0 42 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.858 123.8 62.6 -63.8 -37.5 52.8 32.7 59.3 101 109 A S H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.958 110.9 35.3 -50.2 -61.0 50.1 30.6 57.8 102 110 A A H > S+ 0 0 15 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.808 109.1 65.1 -63.8 -38.5 51.1 27.6 59.7 103 111 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.918 103.9 49.1 -55.8 -39.4 52.2 29.6 62.7 104 112 A R H X S+ 0 0 52 -4,-3.0 4,-2.4 2,-0.2 3,-0.3 0.978 108.8 51.3 -60.7 -55.2 48.5 30.5 63.0 105 113 A K H X S+ 0 0 96 -4,-1.6 4,-0.7 1,-0.3 3,-0.3 0.917 112.2 46.8 -46.7 -54.3 47.3 26.9 62.7 106 114 A F H X>S+ 0 0 0 -4,-3.1 5,-3.0 1,-0.2 4,-1.0 0.856 110.7 51.2 -61.2 -36.0 49.7 25.7 65.4 107 115 A V H <5S+ 0 0 5 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.871 105.3 55.5 -70.3 -31.2 48.9 28.4 67.8 108 116 A D H <5S+ 0 0 123 -4,-2.4 -1,-0.3 -3,-0.3 -2,-0.2 0.692 109.9 47.7 -72.6 -15.1 45.4 27.8 67.5 109 117 A E H <5S- 0 0 109 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.598 125.2-102.9 -98.8 -11.2 46.1 24.4 68.4 110 118 A G T <5S+ 0 0 34 -4,-1.0 2,-0.8 1,-0.4 3,-0.3 0.440 76.3 133.7 111.1 -5.2 48.3 25.4 71.2 111 119 A I < + 0 0 6 -5,-3.0 -1,-0.4 1,-0.2 -2,-0.2 -0.773 17.3 143.5 -83.7 117.1 51.7 24.9 69.9 112 120 A K + 0 0 70 -2,-0.8 2,-0.2 -3,-0.1 -1,-0.2 0.426 53.7 44.0-128.4 -18.3 53.4 28.0 70.9 113 121 A T S > S- 0 0 60 -3,-0.3 4,-1.9 1,-0.1 5,-0.0 -0.721 84.6-100.9-127.9 179.7 56.8 27.0 71.8 114 122 A L H > S+ 0 0 35 -2,-0.2 4,-2.2 2,-0.2 5,-0.1 0.861 121.8 49.9 -64.5 -40.9 59.7 24.8 70.8 115 123 A E H > S+ 0 0 131 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.966 106.9 55.8 -63.5 -45.6 58.8 22.2 73.2 116 124 A D H > S+ 0 0 46 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.886 107.4 50.9 -48.5 -44.5 55.3 22.2 71.9 117 125 A L H < S+ 0 0 1 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.934 106.0 51.5 -64.2 -47.1 56.7 21.6 68.6 118 126 A R H >< S+ 0 0 125 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.930 109.6 52.5 -53.2 -49.0 58.8 18.7 69.6 119 127 A K H 3< S+ 0 0 157 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.822 113.3 44.3 -53.9 -40.0 55.8 17.0 71.2 120 128 A N T >< + 0 0 46 -4,-1.9 3,-1.2 -5,-0.3 4,-0.5 -0.139 66.9 138.1-104.0 45.1 53.9 17.5 68.2 121 129 A E G X + 0 0 88 -3,-1.6 3,-0.5 1,-0.3 -1,-0.2 0.686 65.4 70.2 -59.8 -12.9 56.4 16.4 65.7 122 130 A D G 3 S+ 0 0 115 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.898 91.8 56.2 -70.1 -40.4 53.7 14.5 64.0 123 131 A K G < S+ 0 0 92 -3,-1.2 2,-0.4 -6,-0.1 -1,-0.2 0.552 93.8 88.0 -69.5 -7.9 52.0 17.7 62.8 124 132 A L S < S- 0 0 3 -3,-0.5 -26,-0.0 -4,-0.5 2,-0.0 -0.761 70.5-137.8 -99.0 139.9 55.1 18.9 61.1 125 133 A N > - 0 0 80 -2,-0.4 4,-2.6 -28,-0.1 5,-0.2 -0.292 39.5 -87.9 -81.9 175.5 56.2 18.1 57.6 126 134 A H H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.888 125.9 48.7 -48.8 -52.6 59.7 17.1 56.6 127 135 A H H >> S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 3,-0.8 0.978 114.6 45.2 -52.9 -63.2 60.9 20.7 56.0 128 136 A Q H 3> S+ 0 0 15 1,-0.3 4,-2.4 -31,-0.3 -1,-0.2 0.800 110.3 58.0 -48.0 -35.9 59.6 21.8 59.3 129 137 A R H 3X S+ 0 0 99 -4,-2.6 4,-2.4 2,-0.2 -1,-0.3 0.957 108.3 42.0 -63.8 -47.9 61.0 18.9 60.8 130 138 A I H < S+ 0 0 9 -4,-2.4 3,-1.3 -5,-0.2 -1,-0.3 0.920 108.3 54.7 -69.1 -43.2 63.0 22.1 64.2 133 141 A K H 3< S+ 0 0 132 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.777 119.8 31.6 -62.6 -26.8 66.0 19.8 64.5 134 142 A Y T 3X S+ 0 0 15 -4,-1.9 4,-3.6 -5,-0.2 -1,-0.3 0.002 74.2 128.4-123.6 33.1 68.4 22.5 63.6 135 143 A F H <> S+ 0 0 23 -3,-1.3 4,-1.3 2,-0.2 -1,-0.1 0.896 80.3 45.8 -51.0 -47.0 66.8 25.7 64.9 136 144 A G H >> S+ 0 0 41 -4,-0.2 3,-1.3 2,-0.2 4,-0.7 0.985 115.1 43.3 -60.9 -65.4 69.9 26.6 66.7 137 145 A D H >4 S+ 0 0 31 1,-0.3 3,-1.5 2,-0.2 -2,-0.2 0.879 109.5 62.6 -50.5 -41.6 72.4 25.9 63.9 138 146 A F H 3< S+ 0 0 38 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.838 102.5 45.7 -54.8 -37.4 70.1 27.6 61.6 139 147 A E H << S+ 0 0 102 -3,-1.3 2,-0.3 -4,-1.3 -1,-0.3 0.544 91.3 102.5 -83.7 -7.6 70.2 30.9 63.2 140 148 A K S << S- 0 0 101 -3,-1.5 -4,-0.0 -4,-0.7 -3,-0.0 -0.591 73.7-122.1 -79.1 131.1 74.0 30.9 63.5 141 149 A R - 0 0 149 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.216 21.8-117.8 -68.2 164.4 75.9 33.0 61.1 142 150 A I E -A 180 0A 0 38,-5.7 38,-3.2 40,-0.0 2,-0.2 -0.909 22.2-139.4-108.3 110.2 78.5 31.4 58.9 143 151 A P E >> -A 179 0A 37 0, 0.0 3,-3.2 0, 0.0 4,-2.0 -0.441 16.6-127.0 -66.4 133.2 82.0 32.7 59.4 144 152 A R H 3> S+ 0 0 67 34,-2.6 4,-2.2 1,-0.3 5,-0.2 0.771 109.9 67.9 -53.0 -26.4 83.9 33.2 56.1 145 153 A E H 3> S+ 0 0 122 33,-0.4 4,-0.8 1,-0.2 -1,-0.3 0.833 107.7 38.7 -62.6 -29.8 86.6 31.1 57.5 146 154 A E H <> S+ 0 0 26 -3,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.864 108.3 62.8 -81.5 -41.1 84.1 28.2 57.3 147 155 A M H X S+ 0 0 2 -4,-2.0 4,-4.0 1,-0.2 5,-0.3 0.870 101.3 52.2 -44.1 -50.4 82.7 29.4 54.0 148 156 A L H X S+ 0 0 73 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.873 109.5 48.2 -57.3 -48.5 86.2 28.8 52.4 149 157 A Q H X S+ 0 0 67 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.943 115.5 47.1 -60.6 -45.8 86.4 25.2 53.7 150 158 A M H >X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 3,-0.7 0.962 112.7 46.3 -54.7 -60.0 82.8 24.7 52.3 151 159 A Q H 3X S+ 0 0 54 -4,-4.0 4,-2.2 1,-0.3 5,-0.3 0.877 108.2 59.8 -52.4 -40.9 83.5 26.3 49.0 152 160 A D H 3X S+ 0 0 87 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.3 0.883 110.1 41.3 -58.8 -38.4 86.7 24.3 48.9 153 161 A I H XX S+ 0 0 35 -4,-1.7 4,-2.4 -3,-0.7 3,-0.6 0.987 111.0 50.1 -74.9 -55.8 84.8 21.1 49.1 154 162 A V H 3X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.3 5,-0.2 0.909 112.5 50.3 -49.1 -49.4 81.8 21.7 46.9 155 163 A L H 3X S+ 0 0 59 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.3 0.801 108.5 51.4 -63.7 -31.7 84.1 22.9 44.1 156 164 A N H < - 0 0 47 -4,-1.5 3,-0.8 -3,-0.4 -1,-0.3 -0.907 51.0-152.7-162.4 131.1 82.6 16.7 35.6 163 171 A S T 3 S+ 0 0 83 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.729 98.6 62.1 -73.7 -24.3 85.4 18.9 34.4 164 172 A E T 3 S+ 0 0 109 -3,-0.1 -1,-0.2 -5,-0.1 2,-0.2 0.371 77.0 110.3 -79.6 -6.2 82.9 20.9 32.5 165 173 A Y < - 0 0 20 -3,-0.8 2,-0.5 -7,-0.3 24,-0.2 -0.498 52.9-155.7 -74.2 146.4 80.9 22.0 35.4 166 174 A I E +B 188 0B 52 22,-2.4 22,-1.3 -2,-0.2 2,-0.3 -0.958 16.2 179.2-126.5 112.5 81.0 25.7 36.4 167 175 A A E -B 187 0B 25 -2,-0.5 2,-0.3 20,-0.2 20,-0.2 -0.871 4.9-178.6-115.7 149.4 80.2 26.5 40.0 168 176 A T E -B 186 0B 28 18,-1.5 18,-2.7 -2,-0.3 2,-1.0 -0.999 24.0-138.4-147.7 140.3 80.2 29.8 41.8 169 177 A V E +B 185 0B 8 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.796 30.7 179.5-103.6 100.6 79.5 31.0 45.3 170 178 A C + 0 0 1 14,-1.5 14,-0.4 -2,-1.0 3,-0.3 0.133 33.0 81.0 -78.4-158.2 77.5 34.0 45.1 171 179 A G S >> S- 0 0 21 93,-0.5 3,-1.4 1,-0.2 4,-0.7 -0.230 104.5 -52.6 88.1 179.0 76.2 35.9 48.0 172 180 A S H 3> S+ 0 0 28 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.761 130.0 75.0 -63.7 -25.6 77.9 38.5 50.3 173 181 A F H 34 S+ 0 0 13 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.783 99.8 43.5 -51.7 -33.2 80.6 35.7 50.6 174 182 A R H <4 S+ 0 0 56 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.634 110.0 54.9 -81.0 -34.9 81.5 36.7 47.1 175 183 A R H < S- 0 0 66 -4,-0.7 2,-0.3 -3,-0.3 -2,-0.2 0.341 129.1 -88.1 -88.0 4.7 81.3 40.5 47.8 176 184 A G < + 0 0 33 -4,-0.6 147,-0.1 1,-0.2 -3,-0.1 -0.646 66.5 166.1 130.3 -74.7 83.8 40.3 50.7 177 185 A A - 0 0 30 -2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.799 37.7-140.7 20.6 123.3 81.6 39.5 53.8 178 186 A E S S- 0 0 149 1,-0.1 -34,-2.6 -35,-0.1 -33,-0.4 0.639 85.8 -0.1 -75.0 -13.6 83.1 38.3 57.1 179 187 A S E -A 143 0A 36 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.978 66.8-157.8-164.6 164.2 80.2 35.9 57.6 180 188 A S E -A 142 0A 4 -38,-3.2 -38,-5.7 -2,-0.3 3,-0.1 -0.888 23.1-129.9-145.1 174.5 77.1 34.8 55.9 181 189 A G S S+ 0 0 32 -2,-0.3 65,-0.4 1,-0.3 2,-0.3 0.729 84.4 1.4 -96.6 -31.3 73.8 33.2 56.7 182 190 A D S S- 0 0 90 63,-0.1 2,-0.6 -40,-0.1 -1,-0.3 -0.988 70.6-104.5-156.5 158.2 73.7 30.5 54.0 183 191 A M E - c 0 247B 1 63,-2.2 65,-2.8 -2,-0.3 2,-0.6 -0.788 31.2-170.2 -94.5 122.5 75.6 28.9 51.1 184 192 A D E - c 0 248B 24 -2,-0.6 -14,-1.5 -14,-0.4 2,-0.6 -0.897 1.7-172.8-114.9 109.3 74.4 29.8 47.5 185 193 A V E -Bc 169 249B 2 63,-2.9 65,-2.0 -2,-0.6 2,-0.4 -0.861 10.0-156.5-109.7 124.6 75.8 28.0 44.7 186 194 A L E -Bc 168 250B 2 -18,-2.7 -18,-1.5 -2,-0.6 2,-0.4 -0.778 21.8-168.6 -91.3 131.4 75.2 28.9 41.0 187 195 A L E +Bc 167 251B 1 63,-3.4 65,-2.2 -2,-0.4 2,-0.3 -0.962 17.3 152.1-132.3 149.3 75.6 26.1 38.6 188 196 A T E -Bc 166 252B 0 -22,-1.3 -22,-2.4 -2,-0.4 5,-0.1 -0.920 19.7-157.1-156.8 171.7 75.8 25.4 35.0 189 197 A H E > - c 0 253B 14 63,-0.5 3,-1.4 3,-0.3 65,-0.7 -0.935 31.9-118.8-155.7 143.0 77.3 23.2 32.4 190 198 A P T 3 S+ 0 0 63 0, 0.0 65,-0.1 0, 0.0 -25,-0.1 0.772 113.2 65.1 -55.2 -32.4 78.0 23.8 28.7 191 199 A S T 3 S+ 0 0 61 1,-0.1 2,-0.3 -27,-0.1 11,-0.1 0.062 94.7 71.9 -80.2 21.6 75.7 21.1 27.9 192 200 A F < + 0 0 13 -3,-1.4 62,-4.7 60,-0.1 63,-0.4 -0.877 61.5 137.0-149.0 115.6 72.7 23.1 29.4 193 201 A T - 0 0 35 -2,-0.3 5,-0.1 60,-0.3 -5,-0.0 -0.985 60.9 -68.9-159.7 169.0 71.0 26.1 28.0 194 202 A S S S+ 0 0 70 -2,-0.3 -1,-0.0 1,-0.2 62,-0.0 0.526 129.3 17.5 -11.6 -57.5 68.2 28.4 27.0 195 203 A E S S+ 0 0 161 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.899 96.1 107.6 -89.1 -56.5 67.0 26.0 24.3 196 204 A S S S- 0 0 39 1,-0.2 2,-0.8 3,-0.0 -3,-0.1 0.137 78.8-118.7 -28.1 113.2 68.7 22.7 25.2 197 205 A T - 0 0 129 -5,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.583 53.3 -68.2 -76.6 118.1 65.9 20.6 26.4 198 206 A K - 0 0 89 -2,-0.8 -5,-0.1 -3,-0.1 -1,-0.1 0.664 34.1-165.4 29.0 176.5 66.6 19.8 30.0 199 207 A Q > + 0 0 78 25,-0.2 4,-0.6 -7,-0.1 3,-0.4 -0.212 9.4 174.5 167.6 82.3 69.1 17.7 31.8 200 208 A P H >> S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 3,-0.7 0.827 77.0 71.4 -68.0 -32.7 68.1 17.0 35.3 201 209 A K H 3> S+ 0 0 108 1,-0.3 4,-3.4 2,-0.2 5,-0.4 0.868 84.9 68.6 -49.2 -44.2 71.0 14.7 35.7 202 210 A L H 3> S+ 0 0 4 -3,-0.4 4,-0.7 1,-0.3 -1,-0.3 0.890 109.7 32.5 -44.7 -53.3 73.2 17.7 35.6 203 211 A L H S+ 0 0 1 -4,-3.2 5,-2.6 1,-0.3 6,-1.2 0.898 112.1 41.8 -56.1 -41.3 77.9 15.8 47.9 211 219 A Q H ><5S+ 0 0 67 -4,-1.9 3,-0.8 3,-0.2 -1,-0.3 0.820 106.9 65.4 -75.1 -28.4 76.0 13.3 49.9 212 220 A K H 3<5S+ 0 0 141 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.974 109.9 35.1 -51.6 -76.8 78.4 10.6 48.9 213 221 A V T 3<5S- 0 0 58 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.391 120.6-112.0 -58.5 1.7 81.2 12.3 50.7 214 222 A H T < 5S+ 0 0 142 -3,-0.8 18,-0.2 -5,-0.2 -3,-0.2 0.668 82.3 120.5 77.1 18.3 78.7 13.5 53.5 215 223 A F < + 0 0 5 -5,-2.6 17,-1.9 -6,-0.3 2,-0.6 0.888 67.3 60.8 -82.0 -34.5 78.8 17.1 52.9 216 224 A I E +D 231 0B 5 -6,-1.2 15,-0.3 15,-0.2 -2,-0.1 -0.800 64.2 178.5 -91.4 129.0 75.1 17.3 52.3 217 225 A T E + 0 0 50 13,-4.0 2,-0.3 -2,-0.6 -1,-0.2 0.869 56.8 2.6 -96.0 -41.7 73.1 16.1 55.2 218 226 A D E -D 230 0B 27 12,-0.6 12,-1.3 0, 0.0 2,-0.4 -0.899 64.1-120.4-142.9 163.5 69.5 16.4 54.5 219 227 A T E +D 229 0B 33 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.955 23.1 174.1-114.0 124.4 67.2 17.4 51.6 220 228 A L E S- 0 0 16 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.845 79.0 -12.3 -91.7 -53.4 64.8 20.3 52.1 221 229 A S E -D 228 0B 54 7,-1.7 7,-3.4 -94,-0.0 2,-0.5 -0.949 60.5-167.3-154.9 131.1 63.6 20.4 48.5 222 230 A K E +D 227 0B 92 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.851 20.8 156.9-127.1 102.5 65.0 18.7 45.5 223 231 A G - 0 0 34 3,-2.4 -2,-0.0 -2,-0.5 5,-0.0 -0.212 57.3 -86.6-103.6-163.0 63.7 19.8 42.1 224 232 A E S S+ 0 0 100 1,-0.1 -21,-0.3 -2,-0.1 -25,-0.2 0.496 121.7 10.5 -89.5 2.1 65.1 19.6 38.7 225 233 A T S S+ 0 0 49 1,-0.3 26,-2.5 -22,-0.1 2,-0.5 0.440 122.7 54.7-149.1 -12.3 67.0 22.7 38.9 226 234 A K E - E 0 250B 95 24,-0.2 -3,-2.4 2,-0.0 2,-0.4 -0.986 55.5-172.3-136.4 124.0 66.9 23.9 42.4 227 235 A F E -DE 222 249B 0 22,-3.7 22,-2.4 -2,-0.5 2,-0.5 -0.955 5.4-163.8-115.8 139.5 68.0 22.0 45.3 228 236 A M E +DE 221 248B 37 -7,-3.4 -8,-2.7 -2,-0.4 -7,-1.7 -0.954 30.8 146.6-118.0 106.5 67.5 23.1 48.9 229 237 A G E -DE 219 247B 0 18,-4.2 18,-1.8 -2,-0.5 2,-0.3 -0.383 44.9-113.6-126.6-154.6 69.6 21.3 51.5 230 238 A V E -DE 218 246B 0 -12,-1.3 -13,-4.0 16,-0.2 -12,-0.6 -0.996 34.3-178.4-137.8 133.0 71.6 21.1 54.8 231 239 A C E -DE 216 245B 1 14,-2.5 14,-3.1 -2,-0.3 2,-0.3 -0.934 10.9-160.7-139.3 170.3 75.3 20.5 54.9 232 240 A Q - 0 0 27 -17,-1.9 12,-0.1 -2,-0.3 3,-0.1 -0.932 20.5-127.9-158.8 130.5 78.1 20.1 57.2 233 241 A L - 0 0 6 10,-0.3 9,-0.6 -2,-0.3 3,-0.1 -0.590 51.7 -94.5 -76.1 126.0 81.9 20.3 57.3 234 242 A P - 0 0 81 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.031 34.0-114.8 -43.8 127.4 83.3 17.2 58.8 235 243 A S - 0 0 26 1,-0.1 3,-0.4 7,-0.1 6,-0.2 -0.677 35.1-146.0 -77.2 111.2 84.0 17.3 62.4 236 244 A K - 0 0 102 -2,-0.8 2,-0.5 4,-0.4 -1,-0.1 0.931 69.5 -12.2 -33.7-100.5 87.8 17.0 62.4 237 245 A N S S- 0 0 140 3,-0.1 -1,-0.2 4,-0.0 3,-0.1 -0.832 103.1 -92.7-123.1 80.8 89.2 15.1 65.3 238 246 A D S S+ 0 0 106 -2,-0.5 3,-0.1 -3,-0.4 -2,-0.0 0.500 102.8 77.4 -6.2 111.1 86.1 14.8 67.6 239 247 A E S S+ 0 0 176 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.125 98.3 45.8 171.8 -33.8 85.7 17.5 70.2 240 248 A K + 0 0 133 -3,-0.1 -4,-0.4 2,-0.0 2,-0.2 -0.888 64.0 172.3-135.2 102.1 84.4 20.2 67.8 241 249 A E - 0 0 109 -2,-0.4 -6,-0.0 -6,-0.2 -4,-0.0 -0.625 32.6-109.8 -99.4 162.2 81.8 19.3 65.2 242 250 A Y - 0 0 40 -9,-0.6 -7,-0.1 -2,-0.2 -105,-0.1 -0.508 23.9-103.4 -97.1 168.3 80.1 22.0 63.1 243 251 A P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 -10,-0.3 -0.306 44.2 -98.2 -75.7 167.6 76.8 23.5 63.0 244 252 A H - 0 0 26 -12,-0.1 2,-0.4 -110,-0.1 -12,-0.2 -0.780 41.9-152.0 -92.4 131.5 74.4 22.6 60.2 245 253 A R E - E 0 231B 16 -14,-3.1 -14,-2.5 -2,-0.5 2,-0.2 -0.836 13.3-121.3-112.3 141.4 74.3 25.0 57.4 246 254 A R E - E 0 230B 38 -65,-0.4 -63,-2.2 -2,-0.4 2,-0.4 -0.445 38.2-177.8 -69.1 141.1 71.6 25.9 54.9 247 255 A I E -cE 183 229B 0 -18,-1.8 -18,-4.2 -65,-0.2 2,-0.4 -0.985 15.4-168.5-149.3 141.3 72.6 25.3 51.4 248 256 A D E -cE 184 228B 27 -65,-2.8 -63,-2.9 -2,-0.4 2,-0.4 -0.972 1.2-170.6-132.0 142.0 71.3 25.8 48.0 249 257 A I E -cE 185 227B 4 -22,-2.4 -22,-3.7 -2,-0.4 2,-0.4 -0.998 8.6-174.7-131.7 129.6 72.3 24.6 44.6 250 258 A R E -cE 186 226B 42 -65,-2.0 -63,-3.4 -2,-0.4 2,-0.3 -0.990 17.3-139.8-135.6 134.1 70.8 25.8 41.3 251 259 A L E -c 187 0B 7 -26,-2.5 -63,-0.2 -2,-0.4 -65,-0.0 -0.613 23.2-176.4 -84.6 138.5 71.3 24.8 37.7 252 260 A I E -c 188 0B 33 -65,-2.2 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0 0 99 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.804 38.8-173.8 -91.8 117.7 75.7 37.4 24.3 305 313 A V + 0 0 27 -2,-0.6 -48,-0.2 -50,-0.2 -47,-0.2 -0.937 25.2 168.8-114.5 125.5 77.8 37.2 27.6 306 314 A D S S- 0 0 116 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.332 76.5 -0.0-110.4 0.7 80.9 35.0 28.4 307 315 A S S > S- 0 0 42 1,-0.0 4,-1.1 -50,-0.0 -1,-0.2 -0.964 81.2 -89.9-174.0 173.4 81.7 36.8 31.8 308 316 A E H > S+ 0 0 5 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.685 124.3 63.5 -68.2 -18.5 80.6 39.5 34.2 309 317 A K H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.935 92.7 56.9 -69.1 -53.7 83.0 41.5 32.0 310 318 A D H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.856 107.7 52.4 -47.7 -41.1 80.9 41.2 28.9 311 319 A I H X S+ 0 0 0 -4,-1.1 4,-1.6 2,-0.2 3,-0.4 0.976 110.4 41.8 -57.9 -67.1 78.1 42.7 30.9 312 320 A F H >< S+ 0 0 0 -4,-1.7 3,-0.5 1,-0.3 4,-0.3 0.904 110.8 60.0 -45.0 -55.2 79.8 45.9 32.2 313 321 A D H >< S+ 0 0 75 -4,-2.5 3,-1.9 1,-0.3 -1,-0.3 0.861 102.3 53.3 -39.7 -54.8 81.4 46.4 28.8 314 322 A Y H 3< S+ 0 0 66 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