==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-OCT-04 1XNJ . COMPND 2 MOLECULE: BIFUNCTIONAL 3'-PHOSPHOADENOSINE 5'-PHOSPHOSULFAT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HARJES,P.BAYER,A.J.SCHEIDIG . 1152 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 802 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 3 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 . 82 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.5 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 0 1 5 4 5 4 2 3 2 6 0 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 6 4 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 PARALLEL BRIDGES PER LADDER . 3 4 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 4 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 34 B H 0 0 126 0, 0.0 2,-0.2 0, 0.0 627,-0.1 0.000 360.0 360.0 360.0 135.9 32.3 64.3 49.6 2 35 B V - 0 0 19 1,-0.1 5,-0.0 626,-0.1 630,-0.0 -0.509 360.0-115.6 -76.9 140.0 31.3 61.3 47.5 3 36 B S > - 0 0 52 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.203 18.9-115.6 -70.2 161.6 27.6 61.2 46.5 4 37 B R H > S+ 0 0 62 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.910 115.1 57.7 -60.8 -41.9 25.2 58.5 47.5 5 38 B N H 4 S+ 0 0 116 1,-0.3 4,-0.3 2,-0.2 11,-0.3 0.813 109.4 45.8 -72.2 -21.5 24.7 57.3 44.0 6 39 B K H >> S+ 0 0 84 -3,-0.3 4,-0.8 2,-0.2 3,-0.7 0.834 110.5 51.9 -78.3 -41.2 28.5 56.7 43.8 7 40 B R H >X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 3,-1.1 0.917 105.3 59.9 -61.0 -36.2 28.6 55.0 47.2 8 41 B G H 3< S+ 0 0 1 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.746 97.8 57.1 -64.3 -20.5 25.8 52.8 45.8 9 42 B Q H <4 S+ 0 0 112 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.795 116.9 33.3 -80.3 -27.4 28.0 51.5 43.0 10 43 B V H << S+ 0 0 15 -3,-1.1 2,-0.8 -4,-0.8 594,-0.6 0.666 93.4 89.8-107.0 -19.7 30.7 50.2 45.4 11 44 B V B < S-A 603 0A 12 -4,-2.2 592,-0.3 592,-0.2 591,-0.1 -0.689 103.9 -26.9 -69.3 107.5 28.7 49.1 48.4 12 45 B G S S- 0 0 2 590,-4.1 592,-0.3 -2,-0.8 590,-0.1 0.118 81.9 -77.3 70.1 174.5 27.9 45.5 47.6 13 46 B T S S+ 0 0 96 34,-0.6 2,-0.2 588,-0.3 -1,-0.1 0.741 106.6 76.4 -85.0 -32.0 27.6 43.6 44.3 14 47 B R S S- 0 0 64 33,-0.7 2,-0.2 -3,-0.1 -3,-0.0 -0.542 83.9-127.6 -82.9 143.7 24.1 44.7 43.3 15 48 B G + 0 0 38 -2,-0.2 -6,-0.2 2,-0.1 -2,-0.1 -0.525 63.2 65.1 -92.6 168.9 24.1 48.3 42.0 16 49 B G S S- 0 0 34 -11,-0.3 2,-0.3 -8,-0.2 -2,-0.1 0.242 83.3 -86.8 99.3 139.6 22.0 51.2 43.1 17 50 B F + 0 0 56 1,-0.1 -12,-0.1 -2,-0.0 75,-0.1 -0.603 45.5 166.5 -73.1 133.6 22.0 53.0 46.5 18 51 B R + 0 0 32 73,-0.4 -1,-0.1 -2,-0.3 74,-0.0 0.244 12.0 152.7-141.5 25.9 19.8 51.4 49.0 19 52 B G + 0 0 1 69,-0.2 2,-0.3 70,-0.1 74,-0.2 -0.151 21.5 132.1 -51.4 139.9 20.7 52.9 52.3 20 53 B C E -b 93 0B 0 72,-2.2 74,-2.4 98,-0.1 2,-0.4 -0.971 48.9-108.7-174.5 179.6 17.9 52.9 54.8 21 54 B T E -bc 94 120B 0 98,-1.4 100,-2.9 -2,-0.3 2,-0.7 -0.987 10.4-160.5-134.9 123.0 16.8 52.1 58.3 22 55 B V E -bc 95 121B 0 72,-3.4 74,-2.5 -2,-0.4 2,-0.8 -0.933 19.0-160.3 -98.9 109.1 14.6 49.3 59.5 23 56 B W E -bc 96 122B 0 98,-4.0 100,-3.8 -2,-0.7 2,-0.3 -0.866 4.8-166.0-102.2 99.7 13.4 50.4 62.9 24 57 B L E +bc 97 123B 0 72,-3.0 74,-1.2 -2,-0.8 2,-0.3 -0.645 14.3 170.1 -85.9 138.9 12.1 47.5 65.0 25 58 B T E + c 0 124B 0 98,-2.4 100,-2.7 -2,-0.3 2,-0.2 -0.972 16.2 98.1-144.2 149.0 10.2 48.4 68.2 26 59 B G - 0 0 0 73,-0.7 100,-0.1 -2,-0.3 3,-0.1 -0.870 65.9 -39.8 158.7-179.4 8.0 46.5 70.8 27 60 B L S > S- 0 0 20 98,-0.3 3,-2.3 100,-0.3 4,-0.4 -0.006 72.3 -78.5 -61.9 161.9 8.2 44.9 74.3 28 61 B S T 3 S+ 0 0 13 1,-0.3 -1,-0.1 125,-0.2 108,-0.1 -0.439 122.8 14.2 -56.0 131.5 11.1 42.9 75.7 29 62 B G T 3 S+ 0 0 18 -3,-0.1 -1,-0.3 106,-0.1 -2,-0.1 0.464 86.5 121.4 73.9 6.2 10.7 39.4 74.2 30 63 B A S < S- 0 0 0 -3,-2.3 -2,-0.1 95,-0.1 141,-0.1 0.790 91.8 -93.4 -68.8 -25.4 8.3 40.4 71.4 31 64 B G S > S+ 0 0 13 -4,-0.4 4,-2.8 94,-0.1 5,-0.2 0.547 82.6 130.7 128.0 14.3 10.8 39.2 68.8 32 65 B K H > S+ 0 0 16 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.847 78.4 45.2 -65.0 -50.3 13.0 42.0 67.7 33 66 B T H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 114.5 51.0 -64.5 -33.3 16.4 40.4 68.1 34 67 B T H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.941 113.0 44.2 -73.4 -52.1 15.1 37.3 66.5 35 68 B V H X S+ 0 0 3 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.879 114.9 49.6 -51.7 -44.8 13.7 39.2 63.4 36 69 B S H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.859 109.0 50.1 -69.3 -41.8 16.8 41.3 63.1 37 70 B M H X S+ 0 0 56 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.881 116.5 41.8 -61.0 -45.1 19.2 38.5 63.2 38 71 B A H X S+ 0 0 21 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.834 113.3 52.6 -71.3 -40.0 17.2 36.6 60.5 39 72 B L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.951 110.1 49.0 -61.8 -49.1 16.6 39.7 58.4 40 73 B E H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.846 109.9 50.6 -50.8 -50.7 20.3 40.4 58.4 41 74 B E H X S+ 0 0 114 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.917 110.3 50.9 -56.8 -46.2 21.2 36.9 57.4 42 75 B Y H X S+ 0 0 57 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.926 111.4 47.6 -53.7 -47.2 18.6 37.1 54.6 43 76 B L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 -2,-0.2 0.908 114.2 46.1 -69.8 -38.9 20.2 40.4 53.3 44 77 B V H ><5S+ 0 0 14 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.957 107.6 54.8 -69.9 -46.1 23.7 39.0 53.5 45 78 B C H 3<5S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.832 111.9 49.9 -51.1 -31.0 22.8 35.8 51.8 46 79 B H T 3<5S- 0 0 62 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.091 121.2-104.3 -99.0 28.2 21.4 38.1 49.0 47 80 B G T < 5S+ 0 0 11 -3,-2.3 -33,-0.7 1,-0.2 -34,-0.6 0.721 77.4 131.5 68.2 23.3 24.5 40.3 48.6 48 81 B I < - 0 0 2 -5,-2.6 -1,-0.2 -8,-0.1 -2,-0.1 -0.919 53.6-135.8-115.3 98.8 23.0 43.4 50.5 49 82 B P + 0 0 8 0, 0.0 44,-1.8 0, 0.0 2,-0.3 -0.269 36.9 161.6 -53.6 136.2 25.4 44.9 53.1 50 83 B C E -d 93 0B 3 42,-0.2 2,-0.3 631,-0.1 44,-0.2 -0.924 25.2-152.2-147.8 166.0 23.5 45.7 56.3 51 84 B Y E -d 94 0B 4 42,-2.8 44,-2.9 -2,-0.3 2,-0.5 -0.962 12.9-138.4-150.8 141.4 24.5 46.4 59.9 52 85 B T E -d 95 0B 0 -2,-0.3 2,-0.6 42,-0.2 44,-0.2 -0.859 6.8-157.9-103.8 129.5 22.4 45.7 62.9 53 86 B L E +d 96 0B 0 42,-4.3 44,-2.4 -2,-0.5 2,-0.2 -0.953 35.8 137.4-104.5 124.5 22.2 48.1 65.9 54 87 B D >> - 0 0 4 -2,-0.6 4,-3.0 42,-0.2 3,-0.6 -0.848 66.8 -76.5-147.0-173.3 21.2 46.4 69.0 55 88 B G T 34>S+ 0 0 38 42,-0.5 5,-1.1 1,-0.2 4,-0.2 0.876 120.1 60.2 -55.2 -42.6 21.9 46.2 72.8 56 89 B D T 345S+ 0 0 120 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.826 119.6 23.8 -57.0 -40.2 25.0 44.1 72.3 57 90 B N T <4>S+ 0 0 19 -3,-0.6 5,-0.6 3,-0.1 -2,-0.2 0.779 129.7 37.2-104.4 -30.5 26.8 46.7 70.3 58 91 B I I ><>S+ 0 0 0 -4,-3.0 5,-2.7 3,-0.2 3,-2.0 0.964 115.1 43.2 -83.6 -56.8 25.2 50.0 71.3 59 92 B R I 3 5S+ 0 0 46 -5,-0.5 7,-0.2 1,-0.3 -3,-0.1 0.827 116.6 50.7 -70.0 -15.4 24.4 50.0 75.0 60 93 B Q I 3 S- 0 0 39 1,-0.1 2,-2.5 2,-0.0 3,-1.1 -0.522 76.2-113.5 -66.8 71.7 15.7 56.7 83.3 70 103 B P T 3 S+ 0 0 70 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 -0.161 117.5 52.0 -18.2 -19.2 13.1 58.1 80.7 71 104 B E T 3> S+ 0 0 141 -2,-2.5 4,-2.1 2,-0.2 5,-0.1 0.751 109.2 51.9 -69.6 -44.8 15.4 61.0 79.7 72 105 B D H <> S+ 0 0 47 -3,-1.1 4,-3.4 2,-0.2 -4,-0.1 0.918 107.3 52.3 -60.9 -45.7 18.2 58.3 79.2 73 106 B R H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.808 109.3 49.5 -57.6 -36.5 15.9 56.3 76.9 74 107 B E H > S+ 0 0 88 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.930 113.1 45.7 -66.6 -49.1 15.3 59.4 74.9 75 108 B E H X S+ 0 0 25 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.890 111.6 55.1 -64.1 -38.3 18.9 60.0 74.6 76 109 B N H X S+ 0 0 5 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.984 112.3 41.2 -50.9 -66.0 19.4 56.2 73.8 77 110 B V H X S+ 0 0 2 -4,-2.2 4,-3.5 1,-0.2 -1,-0.2 0.841 112.9 55.4 -52.7 -41.9 17.1 56.3 70.9 78 111 B R H X S+ 0 0 26 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.918 110.3 44.1 -61.1 -50.4 18.5 59.7 69.8 79 112 B R H X S+ 0 0 10 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.881 115.4 49.4 -60.0 -41.1 22.0 58.5 69.6 80 113 B I H X S+ 0 0 0 -4,-2.4 4,-3.6 -5,-0.2 5,-0.3 0.916 110.5 50.8 -62.2 -45.3 20.8 55.2 67.8 81 114 B A H X S+ 0 0 0 -4,-3.5 4,-2.0 1,-0.2 -2,-0.2 0.937 111.0 48.7 -64.6 -36.4 18.7 57.2 65.4 82 115 B E H X S+ 0 0 17 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.939 113.4 45.8 -69.6 -44.8 21.7 59.4 64.6 83 116 B V H >X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.6 0.952 110.7 53.9 -59.0 -46.1 24.0 56.4 64.1 84 117 B A H 3X S+ 0 0 0 -4,-3.6 4,-2.7 1,-0.3 -1,-0.2 0.866 105.2 54.0 -56.8 -38.1 21.4 54.7 62.0 85 118 B K H 3X S+ 0 0 58 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.3 0.875 106.7 51.8 -66.1 -36.7 21.2 57.7 59.8 86 119 B L H S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.6 0.925 113.4 47.3 -64.4 -45.0 24.8 53.9 58.2 88 121 B A H ><5S+ 0 0 0 -4,-2.7 3,-2.0 -5,-0.2 -2,-0.2 0.970 109.7 53.5 -61.1 -41.6 21.9 54.5 56.0 89 122 B D H 3<5S+ 0 0 33 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.869 105.4 56.7 -62.6 -34.1 23.8 57.6 54.5 90 123 B A H 3<5S- 0 0 0 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.599 126.8-101.9 -73.7 -10.6 26.8 55.2 53.8 91 124 B G T <<5S+ 0 0 3 -3,-2.0 -73,-0.4 -4,-0.6 2,-0.2 0.561 78.7 129.1 101.1 9.2 24.5 52.9 51.8 92 125 B L < - 0 0 0 -5,-2.4 -72,-2.2 -75,-0.1 2,-0.7 -0.628 64.6-117.4 -89.4 155.5 23.8 50.1 54.3 93 126 B V E -bd 20 50B 0 -44,-1.8 -42,-2.8 -74,-0.2 2,-0.6 -0.850 37.5-156.2 -81.3 118.6 20.5 48.6 55.4 94 127 B C E -bd 21 51B 0 -74,-2.4 -72,-3.4 -2,-0.7 2,-0.5 -0.917 7.9-165.0-102.5 126.5 20.7 49.6 59.1 95 128 B I E -bd 22 52B 0 -44,-2.9 -42,-4.3 -2,-0.6 2,-0.4 -0.950 4.3-164.2-110.9 127.8 18.5 47.4 61.3 96 129 B T E -bd 23 53B 0 -74,-2.5 -72,-3.0 -2,-0.5 2,-0.4 -0.952 8.5-171.7-119.6 135.4 17.8 48.6 64.8 97 130 B S E +b 24 0B 8 -44,-2.4 -42,-0.5 -2,-0.4 2,-0.3 -0.810 32.3 125.2-126.5 85.1 16.5 46.5 67.6 98 131 B F - 0 0 13 -74,-1.2 -72,-0.2 -2,-0.4 -2,-0.1 -0.974 66.4-115.9-140.2 154.1 15.5 48.5 70.7 99 132 B I - 0 0 37 -2,-0.3 -73,-0.7 -74,-0.2 -1,-0.1 0.902 42.1-178.9 -55.3 -46.4 12.3 48.6 72.7 100 133 B S + 0 0 5 -75,-0.1 6,-0.1 1,-0.1 -2,-0.1 0.937 1.8 179.4 46.5 65.4 12.1 52.2 71.8 101 134 B P + 0 0 2 0, 0.0 59,-2.1 0, 0.0 2,-0.6 0.594 45.0 90.8 -80.7 -8.0 8.8 52.8 73.7 102 135 B Y > - 0 0 40 1,-0.2 4,-2.7 57,-0.1 5,-0.2 -0.801 59.3-155.2 -99.3 125.7 8.2 56.5 73.1 103 136 B T H > S+ 0 0 15 -2,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.789 97.8 52.1 -55.7 -30.7 6.1 57.4 70.2 104 137 B Q H > S+ 0 0 133 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.902 108.6 47.4 -80.6 -47.0 7.8 60.9 70.2 105 138 B D H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 112.6 49.6 -57.2 -50.7 11.4 59.5 70.2 106 139 B R H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.922 111.4 49.4 -53.7 -43.4 10.6 57.0 67.3 107 140 B N H X S+ 0 0 73 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.909 109.8 52.6 -64.8 -33.5 9.0 59.9 65.2 108 141 B N H X S+ 0 0 51 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.922 107.8 49.7 -64.0 -40.6 12.1 62.0 65.9 109 142 B A H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.938 111.0 51.5 -68.1 -37.7 14.2 59.1 64.6 110 143 B R H X S+ 0 0 33 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.860 109.8 47.3 -60.9 -41.9 12.0 59.0 61.6 111 144 B Q H X S+ 0 0 128 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.896 103.5 61.4 -73.0 -32.5 12.3 62.8 60.9 112 145 B I H < S+ 0 0 18 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.902 115.9 35.9 -58.8 -34.9 16.2 62.7 61.3 113 146 B H H ><>S+ 0 0 0 -4,-1.2 5,-2.6 -5,-0.2 3,-0.8 0.933 116.7 47.0 -85.3 -54.1 16.0 60.3 58.3 114 147 B E H ><5S+ 0 0 108 -4,-2.9 3,-2.6 1,-0.2 -3,-0.2 0.960 109.6 59.9 -55.6 -43.1 13.1 61.7 56.1 115 148 B G T 3<5S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 110.2 40.2 -53.1 -29.8 14.8 65.1 56.7 116 149 B A T < 5S- 0 0 21 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.158 121.5-106.3-109.5 22.4 18.0 63.8 55.0 117 150 B S T < 5S+ 0 0 97 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.691 74.3 135.6 68.4 22.9 16.2 61.9 52.4 118 151 B L < - 0 0 2 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.2 -0.894 57.3-113.5-100.9 126.5 16.7 58.3 53.8 119 152 B P - 0 0 48 0, 0.0 -98,-1.4 0, 0.0 2,-0.4 -0.188 29.9-164.5 -55.2 145.1 13.9 55.7 54.0 120 153 B F E -c 21 0B 3 -100,-0.2 2,-0.6 2,-0.0 -98,-0.2 -1.000 5.5-165.8-136.8 122.8 12.8 54.7 57.4 121 154 B F E -c 22 0B 2 -100,-2.9 -98,-4.0 -2,-0.4 2,-0.7 -0.948 7.8-155.3-121.2 116.0 10.7 51.7 58.1 122 155 B E E -c 23 0B 7 -2,-0.6 45,-1.4 -100,-0.2 44,-1.1 -0.788 13.0-167.8 -93.6 116.0 9.0 51.5 61.5 123 156 B V E -ce 24 167B 0 -100,-3.8 -98,-2.4 -2,-0.7 2,-1.0 -0.930 10.4-153.1-115.1 115.7 8.4 47.8 62.3 124 157 B F E -ce 25 168B 10 43,-3.0 45,-3.1 -2,-0.6 2,-1.0 -0.817 2.4-159.4 -89.9 102.3 6.1 47.1 65.2 125 158 B V E - e 0 169B 0 -100,-2.7 2,-0.6 -2,-1.0 -98,-0.3 -0.836 25.2-168.0 -81.9 97.5 7.2 43.6 66.6 126 159 B D + 0 0 18 43,-2.4 45,-0.5 -2,-1.0 46,-0.5 -0.854 24.7 148.9-109.8 103.1 3.8 43.2 68.4 127 160 B A - 0 0 2 -2,-0.6 -100,-0.3 43,-0.2 -97,-0.1 -0.958 51.6 -99.6-128.5 141.5 3.2 40.4 71.0 128 161 B P > - 0 0 60 0, 0.0 4,-2.5 0, 0.0 5,-0.3 -0.193 31.0-114.8 -65.2 150.0 0.9 40.7 73.9 129 162 B L H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.918 115.9 54.5 -54.0 -43.9 2.4 41.5 77.1 130 163 B H H > S+ 0 0 123 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.907 108.0 50.7 -61.5 -36.9 1.3 38.2 78.6 131 164 B V H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.908 106.6 53.3 -63.7 -45.8 3.0 36.3 75.7 132 165 B C H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.866 110.6 47.3 -58.1 -39.8 6.3 38.2 76.2 133 166 B E H < S+ 0 0 50 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.937 107.2 57.5 -65.9 -48.6 6.3 37.2 79.8 134 167 B Q H < S+ 0 0 160 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.936 112.8 40.9 -36.7 -56.3 5.5 33.6 78.9 135 168 B R H < S+ 0 0 92 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.882 76.1 171.4 -68.8 -38.5 8.7 33.6 76.7 136 169 B D >< - 0 0 38 -4,-2.0 3,-1.7 -5,-0.2 -3,-0.1 0.755 12.0-178.7 23.2 54.6 10.8 35.5 79.4 137 170 B V T 3 S+ 0 0 115 -5,-0.3 -1,-0.2 1,-0.3 -4,-0.1 0.705 74.1 27.8 -52.2 -29.5 13.7 34.7 77.1 138 171 B K T 3 S- 0 0 149 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.360 109.8-107.9-118.3 1.5 16.2 36.4 79.3 139 172 B G S <> S+ 0 0 26 -3,-1.7 4,-1.3 -6,-0.1 -2,-0.1 0.646 82.5 122.9 74.8 22.8 14.6 36.1 82.8 140 173 B L H > + 0 0 38 2,-0.2 4,-0.6 1,-0.2 12,-0.1 0.824 61.5 55.1 -84.4 -42.2 13.8 39.9 83.0 141 174 B Y H > S+ 0 0 2 2,-0.2 4,-0.9 -9,-0.2 -1,-0.2 0.810 114.2 42.3 -64.3 -33.5 10.0 39.9 83.5 142 175 B K H >> S+ 0 0 162 2,-0.2 4,-2.5 1,-0.2 3,-1.1 0.945 109.8 56.6 -77.9 -47.6 10.3 37.7 86.6 143 176 B K H 3< S+ 0 0 107 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.701 115.7 40.9 -47.4 -18.9 13.3 39.7 87.8 144 177 B A H 3< S+ 0 0 1 -4,-0.6 3,-0.3 4,-0.2 -1,-0.3 0.556 106.0 57.8-112.4 -16.4 10.9 42.7 87.5 145 178 B R H << S+ 0 0 147 -3,-1.1 -2,-0.2 -4,-0.9 -3,-0.2 0.822 108.6 51.4 -74.3 -39.1 7.6 41.1 89.0 146 179 B A S < S- 0 0 84 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.1 0.414 120.3-121.5 -61.8 0.6 9.9 40.5 92.1 147 180 B G S S+ 0 0 32 -3,-0.3 -2,-0.1 -5,-0.2 -1,-0.1 0.012 80.2 116.5 51.7 173.6 10.8 44.2 91.9 148 181 B E + 0 0 162 -4,-0.2 2,-0.4 2,-0.1 -4,-0.2 0.100 67.9 78.1 104.6 -19.1 14.6 44.3 91.5 149 182 B I S S- 0 0 42 1,-0.2 3,-0.5 -5,-0.2 -2,-0.1 -0.987 82.5-119.4-128.0 128.9 14.1 45.9 88.1 150 183 B K S S- 0 0 122 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.825 71.1 -39.6 3.6-148.0 13.1 49.5 87.4 151 184 B G S S- 0 0 19 5,-0.1 -1,-0.2 -83,-0.1 2,-0.1 -0.789 76.1-160.8-102.5 73.1 10.0 50.7 85.6 152 185 B F >>> - 0 0 23 -2,-0.6 3,-1.5 -3,-0.5 4,-1.3 -0.411 27.4-101.5 -60.8 130.1 10.4 47.7 83.2 153 186 B T B 345S+f 157 0C 1 1,-0.2 -125,-0.2 3,-0.2 5,-0.2 -0.284 106.7 23.0 -63.1 148.3 8.4 48.5 80.1 154 187 B G T 345S+ 0 0 30 3,-1.6 -1,-0.2 1,-0.2 5,-0.1 -0.187 132.2 41.7 83.3 -35.7 5.0 46.8 79.9 155 188 B I T <45S+ 0 0 38 -3,-1.5 -1,-0.2 3,-0.1 -2,-0.2 0.832 133.4 4.8-100.6 -77.0 4.9 46.3 83.8 156 189 B D T <5S+ 0 0 106 -4,-1.3 -3,-0.2 -3,-0.1 2,-0.2 0.901 129.1 38.5 -85.7 -42.7 6.2 49.4 85.7 157 190 B S B - 0 0 114 -2,-0.6 3,-1.8 1,-0.2 4,-0.3 -0.688 14.4-177.0 -87.4 89.9 2.1 39.6 65.1 171 204 B T T 3 S+ 0 0 17 -2,-1.4 -1,-0.2 -45,-0.5 -44,-0.1 0.545 74.0 58.4 -75.5 -0.2 4.7 37.3 66.5 172 205 B D T 3 S+ 0 0 95 -46,-0.5 -1,-0.3 1,-0.1 -45,-0.1 0.456 112.8 40.3 -97.5 -9.0 2.2 35.2 68.5 173 206 B S S < S+ 0 0 101 -3,-1.8 2,-0.3 2,-0.1 -2,-0.2 0.123 118.3 40.2-124.4 12.8 0.3 34.3 65.3 174 207 B C S S- 0 0 32 -4,-0.3 2,-0.1 -5,-0.1 -5,-0.0 -0.970 75.6-113.9-158.1 161.4 3.1 33.8 62.8 175 208 B D > - 0 0 86 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.376 37.5 -97.9 -98.9-179.5 6.6 32.3 62.6 176 209 B V H >> S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 3,-0.6 0.977 125.0 54.8 -67.2 -46.0 9.9 33.8 62.1 177 210 B N H 3> S+ 0 0 118 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.857 106.7 54.2 -48.4 -43.0 9.9 33.0 58.4 178 211 B D H 3> S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.832 109.7 47.3 -59.6 -40.7 6.5 34.9 58.3 179 212 B C H X S+ 0 0 1 -4,-2.2 4,-3.0 2,-0.2 3,-0.5 0.959 113.9 49.0 -70.2 -54.8 9.7 42.7 56.0 184 217 B V H 3X S+ 0 0 7 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.942 110.7 52.3 -50.0 -42.2 11.6 41.5 52.9 185 218 B E H 3X S+ 0 0 76 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.809 108.9 51.1 -68.2 -29.4 8.4 42.1 50.9 186 219 B L H S+ 0 0 0 -4,-3.0 5,-2.5 2,-0.2 6,-2.1 0.702 110.2 52.5 -62.3 -22.2 11.7 46.3 51.4 188 221 B Q H ><5S+ 0 0 47 -4,-1.4 3,-1.7 -5,-0.2 -2,-0.2 0.902 107.3 51.8 -76.7 -45.4 11.0 44.9 47.9 189 222 B E H 3<5S+ 0 0 137 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.871 113.6 46.8 -53.1 -33.2 7.9 47.2 47.5 190 223 B R T 3<5S- 0 0 125 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.213 114.0-114.4-106.5 16.9 10.1 50.1 48.4 191 224 B D T < 5S+ 0 0 135 -3,-1.7 -3,-0.2 2,-0.3 -2,-0.1 0.701 87.0 107.7 64.3 32.9 13.1 49.3 46.2 192 225 B I S > - 0 0 61 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.180 33.3-114.3 -52.2 139.7 -7.7 37.2 34.0 208 241 B E H >> S+ 0 0 141 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.854 116.7 52.7 -48.7 -36.0 -11.3 35.9 33.1 209 242 B N H 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.585 114.2 42.2 -82.1 -4.8 -13.0 38.9 34.6 210 243 B K H <> S+ 0 0 112 -3,-2.2 4,-1.6 2,-0.1 -1,-0.2 0.368 94.8 88.0-111.5 1.9 -10.8 41.2 32.6 211 244 B L H S+ 0 0 120 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.842 109.2 50.9 -57.7 -37.4 -12.8 44.1 28.4 214 247 B A H X S+ 0 0 7 -4,-1.6 4,-3.8 2,-0.2 -2,-0.2 0.922 108.6 52.4 -74.3 -34.3 -9.5 43.2 26.8 215 248 B K H X S+ 0 0 74 -4,-2.8 4,-1.6 2,-0.3 -2,-0.2 0.926 110.1 47.5 -65.4 -44.7 -11.3 41.8 23.7 216 249 B T H >X S+ 0 0 83 -4,-2.2 4,-1.1 1,-0.2 3,-1.0 0.985 114.8 47.2 -61.2 -54.0 -13.2 45.0 23.3 217 250 B D H >< S+ 0 0 58 -4,-2.9 3,-0.8 1,-0.2 4,-0.5 0.924 108.8 54.9 -48.9 -46.4 -9.9 46.8 23.7 218 251 B A H >< S+ 0 0 0 -4,-3.8 3,-1.1 1,-0.2 -1,-0.2 0.809 98.1 64.3 -59.8 -28.3 -8.2 44.4 21.3 219 252 B E H << S+ 0 0 124 -4,-1.6 -1,-0.2 -3,-1.0 -2,-0.2 0.885 96.9 55.2 -69.1 -30.6 -10.8 45.2 18.7 220 253 B T T << S+ 0 0 105 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.588 94.5 90.4 -73.9 -11.5 -9.7 48.9 18.4 221 254 B L S < S- 0 0 28 -3,-1.1 72,-0.1 -4,-0.5 73,-0.1 -0.562 84.3-101.7 -92.8 158.0 -6.0 48.1 17.6 222 255 B P - 0 0 57 0, 0.0 72,-2.2 0, 0.0 2,-0.3 -0.071 48.2-137.4 -54.8 168.4 -4.1 47.5 14.4 223 256 B A E -h 294 0D 19 70,-0.2 2,-0.4 81,-0.0 72,-0.2 -0.972 19.0-157.5-139.1 155.4 -3.6 43.8 13.9 224 257 B L E -h 295 0D 7 70,-2.3 72,-2.6 -2,-0.3 2,-0.4 -0.999 22.8-132.2-131.2 132.6 -1.0 41.5 12.7 225 258 B K E -h 296 0D 177 -2,-0.4 2,-0.2 70,-0.2 72,-0.2 -0.682 25.0-170.3 -88.2 126.6 -1.8 38.0 11.3 226 259 B I - 0 0 15 70,-2.6 72,-0.4 -2,-0.4 2,-0.1 -0.733 11.7-130.8-114.0 170.1 0.1 35.2 12.7 227 260 B N > - 0 0 78 -2,-0.2 4,-1.5 70,-0.1 5,-0.1 -0.254 36.0 -85.3-111.2-165.0 0.3 31.5 11.7 228 261 B K H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.854 122.7 48.6 -78.3 -40.6 -0.0 28.3 13.4 229 262 B V H > S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.949 113.5 52.0 -66.2 -36.1 3.5 27.8 14.7 230 263 B D H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.874 107.9 51.0 -57.9 -39.9 3.3 31.3 15.9 231 264 B M H X S+ 0 0 6 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.869 107.5 52.5 -74.6 -31.4 0.1 30.6 17.7 232 265 B Q H X S+ 0 0 13 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.857 109.8 47.8 -72.3 -31.1 1.6 27.5 19.3 233 266 B W H X S+ 0 0 8 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.925 107.4 58.7 -71.5 -37.9 4.5 29.8 20.6 234 267 B V H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.969 108.7 46.7 -48.0 -43.4 1.7 32.2 21.8 235 268 B Q H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.847 104.8 55.6 -68.4 -40.0 0.6 29.3 23.7 236 269 B V H <>S+ 0 0 0 -4,-1.9 5,-1.7 223,-0.2 6,-0.7 0.930 115.1 42.2 -54.9 -44.3 3.9 28.4 25.2 237 270 B L H ><5S+ 0 0 3 -4,-2.4 3,-1.7 3,-0.2 -33,-0.4 0.961 109.6 57.0 -66.2 -47.9 4.1 31.9 26.5 238 271 B A H 3<5S+ 0 0 0 -4,-3.2 -34,-1.8 1,-0.3 -33,-1.0 0.867 108.8 45.1 -53.6 -43.0 0.5 32.1 27.7 239 272 B E T 3<5S- 0 0 1 -4,-2.0 129,-0.4 -36,-0.2 -1,-0.3 0.463 115.0-109.9 -84.7 -6.5 0.8 29.2 29.9 240 273 B G T X 5S+ 0 0 0 -3,-1.7 3,-1.6 -4,-0.5 -38,-0.4 0.616 74.8 131.3 98.2 7.1 4.1 30.1 31.4 241 274 B W T 3 S- 0 0 2 -6,-0.7 3,-2.4 -40,-0.2 -1,-0.3 0.007 97.9-170.1 -99.7 30.1 8.9 30.4 29.1 243 276 B T T < + 0 0 2 -3,-1.6 3,-0.1 1,-0.3 -42,-0.1 -0.271 62.0 29.0 -55.3 141.6 8.6 32.0 32.6 244 277 B P T 3 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 -45,-0.1 -0.848 89.4 113.3 -96.6 28.2 9.6 34.8 33.3 245 278 B L < - 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0 0 22 0, 0.0 2,-0.4 0, 0.0 38,-0.2 -0.282 13.5-159.3 -71.4 149.3 45.7 14.5 26.7 872 342 A E E - C 0 908K 63 36,-2.4 36,-3.0 -21,-0.1 2,-0.4 -1.000 6.2-148.2-130.3 146.7 42.2 13.8 25.6 873 343 A F E + C 0 907K 30 -2,-0.4 2,-0.3 34,-0.2 34,-0.2 -0.780 24.9 161.2-112.6 133.2 41.0 13.4 22.1 874 344 A F E - C 0 906K 11 32,-1.7 32,-2.9 -2,-0.4 2,-0.2 -0.942 44.4 -75.1-152.0 160.0 37.4 14.5 21.1 875 345 A E E - C 0 905K 73 -2,-0.3 2,-1.2 30,-0.2 30,-0.3 -0.407 25.3-141.8 -69.5 136.3 35.9 15.2 17.9 876 346 A H - 0 0 5 28,-2.5 2,-1.3 -2,-0.2 3,-0.2 -0.771 19.2-171.5 -90.8 95.0 36.4 18.4 16.0 877 347 A R > - 0 0 42 -2,-1.2 4,-2.4 1,-0.2 5,-0.2 -0.739 8.5-177.2 -86.3 97.4 32.9 18.9 14.6 878 348 A K H > S+ 0 0 27 -2,-1.3 4,-3.0 1,-0.3 5,-0.3 0.851 71.0 51.4 -75.9 -44.0 33.8 21.7 12.3 879 349 A E H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.946 115.4 42.5 -61.4 -53.4 30.7 22.7 10.9 880 350 A E H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 114.7 52.2 -57.1 -39.6 29.0 23.0 14.3 881 351 A R H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.963 112.7 44.6 -60.3 -56.3 32.1 24.8 15.8 882 352 A C H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 6,-0.6 0.917 112.3 50.4 -51.7 -49.4 32.2 27.2 13.0 883 353 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.948 116.0 41.1 -63.8 -45.5 28.5 27.9 13.1 884 354 A R H < S+ 0 0 13 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.896 120.8 42.4 -70.8 -37.9 28.4 28.5 16.8 885 355 A Q H < S+ 0 0 2 -4,-2.8 146,-0.2 -5,-0.2 -3,-0.2 0.906 131.2 22.1 -77.3 -38.7 31.7 30.6 17.0 886 356 A W H < S- 0 0 0 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.630 93.6-125.6-104.7 -10.7 31.2 32.7 14.0 887 357 A G S < S+ 0 0 2 -4,-2.2 2,-0.2 -5,-0.5 -567,-0.2 0.829 90.4 58.1 61.6 31.3 27.4 32.7 13.4 888 358 A T - 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