==== 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 GENE REGULATION 16-MAY-08 3D5P . COMPND 2 MOLECULE: PUTATIVE GLUCAN SYNTHESIS REGULATOR OF SMI1/KNR4 . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 266 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 28.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 4 1.5 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 . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 2 0 0 0 1 2 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 3 1 6 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 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 0 A G 0 0 76 0, 0.0 2,-0.1 0, 0.0 144,-0.0 0.000 360.0 360.0 360.0-170.3 71.2 20.1 9.4 2 1 A X - 0 0 114 144,-0.1 2,-0.4 145,-0.1 144,-0.2 -0.400 360.0-172.1 -72.5 138.9 68.7 20.6 12.3 3 2 A E E -A 145 0A 106 142,-2.2 142,-2.6 -2,-0.1 2,-0.6 -0.996 23.8-126.6-134.9 135.5 68.0 24.2 13.5 4 3 A V E -A 144 0A 68 -2,-0.4 2,-0.6 140,-0.2 140,-0.2 -0.683 28.1-170.1 -85.5 117.3 66.0 25.4 16.5 5 4 A I E -A 143 0A 20 138,-3.1 138,-2.5 -2,-0.6 2,-0.2 -0.909 9.6-172.2-106.3 121.7 63.4 27.9 15.3 6 5 A E - 0 0 86 -2,-0.6 44,-0.9 136,-0.2 2,-0.3 -0.555 17.0-177.7-110.7 175.5 61.6 29.7 17.9 7 6 A S E -H 49 0B 2 134,-0.4 134,-1.9 -2,-0.2 2,-0.4 -0.966 6.3-166.1-154.7 152.8 58.9 31.9 18.4 8 7 A K E -HI 48 140B 57 40,-2.2 40,-2.3 -2,-0.3 2,-0.4 -0.998 7.4-163.7-144.2 140.2 57.4 33.6 21.3 9 8 A W E -HI 47 139B 3 130,-2.5 130,-2.8 -2,-0.4 2,-1.2 -0.997 16.4-145.8-119.0 125.1 54.2 35.5 22.0 10 9 A Y E -HI 46 138B 75 36,-3.0 36,-1.0 -2,-0.4 2,-0.2 -0.799 32.7-151.7 -91.2 94.0 54.0 37.7 25.0 11 10 A K E -HI 45 137B 21 126,-2.8 126,-2.2 -2,-1.2 2,-0.2 -0.502 12.3-159.0 -79.8 134.2 50.4 37.0 25.7 12 11 A K - 0 0 98 32,-0.8 32,-0.1 -2,-0.2 124,-0.1 -0.637 41.1 -76.2 -99.6 166.7 48.1 39.5 27.5 13 12 A D - 0 0 96 -2,-0.2 30,-2.2 29,-0.2 -1,-0.2 -0.286 64.7 -93.3 -56.4 146.0 44.9 38.6 29.2 14 13 A G - 0 0 35 28,-0.3 26,-0.3 27,-0.3 27,-0.2 -0.223 40.1-102.1 -62.7 151.1 42.1 37.9 26.8 15 14 A A - 0 0 8 24,-3.0 2,-0.2 21,-0.1 -1,-0.1 -0.446 35.4-110.7 -67.9 141.7 39.7 40.5 25.6 16 15 A S > - 0 0 63 1,-0.2 4,-1.4 -2,-0.1 3,-0.3 -0.516 21.2-127.9 -67.4 145.3 36.2 40.6 27.1 17 16 A S H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.875 111.3 58.6 -59.9 -34.1 33.6 39.6 24.5 18 17 A A H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 100.8 53.8 -63.5 -36.1 31.8 42.8 25.4 19 18 A S H > S+ 0 0 9 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.869 111.0 46.3 -69.2 -32.2 34.8 44.9 24.4 20 19 A I H X S+ 0 0 8 -4,-1.4 4,-2.3 1,-0.2 3,-0.3 0.919 111.4 51.4 -75.3 -42.1 34.9 43.2 21.0 21 20 A D H X S+ 0 0 78 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.871 104.2 58.6 -62.8 -35.7 31.2 43.7 20.6 22 21 A D H X S+ 0 0 91 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.874 107.9 46.0 -61.0 -39.0 31.6 47.3 21.4 23 22 A V H X S+ 0 0 9 -4,-1.1 4,-2.1 -3,-0.3 5,-0.2 0.924 110.7 51.7 -72.9 -40.2 33.9 47.8 18.5 24 23 A E H X>S+ 0 0 27 -4,-2.3 5,-1.6 1,-0.2 4,-1.1 0.895 110.7 50.0 -61.1 -38.4 31.7 45.8 16.1 25 24 A K H <5S+ 0 0 100 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.932 110.9 48.4 -65.4 -45.0 28.8 48.1 17.2 26 25 A L H <5S+ 0 0 133 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.818 117.7 41.3 -63.9 -32.1 30.8 51.2 16.6 27 26 A L H <5S- 0 0 37 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.573 99.7-137.5 -92.1 -10.9 32.0 49.9 13.2 28 27 A N T <5S+ 0 0 153 -4,-1.1 2,-0.3 -3,-0.3 -3,-0.2 0.899 73.8 88.6 50.3 44.8 28.5 48.6 12.4 29 28 A T S - 0 0 8 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.331 38.6-129.5 -58.5 138.7 36.8 38.4 11.2 33 32 A K H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.848 104.5 51.0 -60.1 -40.6 36.2 35.4 13.3 34 33 A Q H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.855 109.1 51.5 -69.2 -36.0 39.8 34.2 13.6 35 34 A Y H > S+ 0 0 3 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.930 111.3 48.1 -62.6 -46.0 40.9 37.7 14.7 36 35 A K H X S+ 0 0 44 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.901 108.8 53.4 -61.3 -41.6 38.2 37.7 17.4 37 36 A S H X S+ 0 0 59 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.911 109.8 48.7 -61.6 -39.5 39.2 34.3 18.6 38 37 A F H >X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 3,-1.1 0.955 110.5 50.5 -67.2 -44.8 42.9 35.5 18.9 39 38 A L H 3< S+ 0 0 0 -4,-2.5 -24,-3.0 1,-0.3 -1,-0.2 0.837 104.0 58.0 -60.7 -37.7 41.8 38.6 20.8 40 39 A L H 3< S+ 0 0 89 -4,-2.2 -1,-0.3 -26,-0.3 -2,-0.2 0.753 114.6 39.7 -62.5 -23.9 39.7 36.4 23.2 41 40 A W H << S+ 0 0 49 -3,-1.1 2,-0.4 -4,-0.8 -27,-0.3 0.862 136.2 9.3 -88.1 -47.0 43.0 34.7 24.0 42 41 A S < - 0 0 0 -4,-3.0 2,-2.3 -5,-0.1 -1,-0.3 -0.939 66.5-144.8-140.8 113.9 45.3 37.7 24.0 43 42 A N S S- 0 0 20 -30,-2.2 15,-0.1 -2,-0.4 -30,-0.1 -0.454 77.7 -48.7 -81.5 73.6 44.0 41.2 23.9 44 43 A G S S+ 0 0 0 -2,-2.3 -32,-0.8 13,-0.2 2,-0.3 -0.335 79.0 152.3 82.4-167.3 46.8 42.4 21.9 45 44 A G E -HJ 11 56B 6 11,-2.0 11,-2.7 -34,-0.1 2,-0.3 -0.883 34.7-110.8 131.0-175.3 50.4 41.6 22.8 46 45 A E E +HJ 10 55B 63 -36,-1.0 -36,-3.0 -2,-0.3 2,-0.3 -0.979 32.2 160.8-151.4 162.0 53.6 41.3 20.8 47 46 A G E -HJ 9 54B 4 7,-2.3 7,-2.4 -2,-0.3 2,-0.5 -0.961 40.5-108.4-169.1 175.9 55.9 38.6 19.7 48 47 A K E -HJ 8 53B 85 -40,-2.3 -40,-2.2 -2,-0.3 2,-0.6 -0.954 31.4-174.0-121.5 106.8 58.6 37.3 17.5 49 48 A L E > -HJ 7 52B 2 3,-2.6 3,-2.6 -2,-0.5 2,-0.2 -0.934 67.1 -47.6-106.1 111.4 57.2 34.6 15.2 50 49 A G T 3 S- 0 0 10 -44,-0.9 77,-0.2 -2,-0.6 78,-0.1 -0.429 124.9 -22.9 56.5-128.3 60.1 33.2 13.2 51 50 A D T 3 S+ 0 0 108 75,-0.5 2,-0.5 -2,-0.2 -1,-0.3 0.389 118.6 103.8 -89.2 2.2 62.0 36.2 12.0 52 51 A N E < -J 49 0B 2 -3,-2.6 -3,-2.6 74,-0.4 2,-0.5 -0.790 56.9-155.0-101.4 116.5 58.9 38.4 12.2 53 52 A Y E -J 48 0B 107 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.783 22.1-178.6 -80.6 125.9 58.3 41.0 14.9 54 53 A I E -J 47 0B 0 -7,-2.4 -7,-2.3 -2,-0.5 2,-0.5 -0.997 16.1-168.9-133.8 128.3 54.7 41.6 15.2 55 54 A Y E -JK 46 84B 101 29,-2.3 29,-2.3 -2,-0.4 2,-0.4 -0.979 12.3-164.9-119.3 115.5 52.9 44.0 17.6 56 55 A I E -JK 45 83B 9 -11,-2.7 -11,-2.0 -2,-0.5 27,-0.2 -0.863 16.2-125.0-108.2 135.3 49.1 43.6 17.8 57 56 A W - 0 0 16 25,-2.3 -13,-0.2 -2,-0.4 2,-0.1 -0.482 22.0-108.7 -79.0 145.5 46.8 46.2 19.4 58 57 A A >> - 0 0 21 -2,-0.2 3,-2.1 -15,-0.1 4,-0.8 -0.415 33.8-116.0 -64.1 147.0 44.3 45.8 22.1 59 58 A I H >> S+ 0 0 1 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.859 114.3 60.9 -59.9 -33.6 40.7 45.9 20.8 60 59 A E H 34 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.617 109.4 43.8 -68.3 -13.7 40.0 49.0 22.9 61 60 A D H <> S+ 0 0 73 -3,-2.1 4,-2.4 2,-0.1 -1,-0.2 0.510 87.1 90.4-107.7 -11.3 42.7 50.9 20.9 62 61 A V H S+ 0 0 67 -4,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.896 112.6 48.7 -63.9 -41.6 42.1 55.2 17.6 65 64 A Y H X S+ 0 0 82 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.907 110.3 51.1 -62.9 -45.0 45.1 53.7 15.9 66 65 A N H X>S+ 0 0 0 -4,-2.3 5,-1.9 -5,-0.2 4,-0.9 0.900 112.7 47.0 -59.6 -39.3 43.2 53.4 12.6 67 66 A H H <5S+ 0 0 155 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.928 112.1 49.3 -67.2 -43.7 42.2 57.0 12.9 68 67 A D H <5S+ 0 0 122 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.900 115.2 42.7 -66.9 -36.3 45.7 58.2 13.8 69 68 A Y H <5S- 0 0 66 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.598 106.3-127.3 -86.7 -9.7 47.4 56.3 10.9 70 69 A G T X5 + 0 0 7 -4,-0.9 4,-2.4 -3,-0.4 5,-0.4 0.811 51.6 156.8 71.6 35.9 44.7 57.3 8.4 71 70 A I H > - 0 0 87 -5,-0.2 3,-1.9 3,-0.1 -1,-0.1 -0.961 34.1-101.8-149.2 160.2 39.2 52.0 2.1 77 76 A K T 3 S+ 0 0 87 -2,-0.3 -5,-0.1 1,-0.3 -4,-0.1 0.679 117.9 63.3 -53.6 -19.2 36.5 51.6 4.8 78 77 A E T 3 S+ 0 0 51 -6,-0.1 16,-3.2 15,-0.1 2,-0.5 0.573 90.3 77.7 -87.3 -8.8 36.8 47.8 4.3 79 78 A Y E < - L 0 93B 20 -3,-1.9 2,-0.4 14,-0.2 14,-0.2 -0.878 57.5-179.7-110.7 129.6 40.4 47.7 5.5 80 79 A W E - L 0 92B 30 12,-2.7 12,-3.1 -2,-0.5 2,-0.2 -0.994 22.4-133.1-134.2 127.1 41.3 47.9 9.2 81 80 A A E + L 0 91B 0 -2,-0.4 10,-0.3 10,-0.3 -15,-0.2 -0.547 23.9 172.8 -75.1 141.0 44.8 47.8 10.7 82 81 A F E - 0 0 1 8,-2.8 -25,-2.3 1,-0.3 2,-0.3 0.448 62.6 -14.9-124.6 -7.0 45.2 45.5 13.7 83 82 A G E -KL 56 90B 0 7,-1.3 7,-2.7 -27,-0.2 -1,-0.3 -0.962 56.9-150.8-178.3-176.1 49.0 45.7 14.3 84 83 A X E -KL 55 89B 39 -29,-2.3 -29,-2.3 -2,-0.3 5,-0.2 -0.959 19.8-141.4-161.7 172.4 52.3 46.7 13.0 85 84 A D E > S- L 0 88B 34 3,-2.8 3,-2.2 -2,-0.3 2,-0.2 -0.720 71.4 -71.0-146.5 89.5 56.1 46.3 12.8 86 85 A G T 3 S+ 0 0 43 1,-0.3 -1,-0.2 -2,-0.2 18,-0.1 -0.405 124.1 3.0 61.1-122.1 57.6 49.8 12.7 87 86 A D T 3 S+ 0 0 123 -2,-0.2 17,-3.3 -3,-0.1 18,-0.5 0.707 120.3 89.7 -64.0 -21.4 56.9 51.3 9.3 88 87 A I E < -LM 85 103B 29 -3,-2.2 -3,-2.8 15,-0.2 2,-0.4 -0.639 61.2-159.1 -90.3 132.3 54.8 48.2 8.4 89 88 A G E -LM 84 102B 0 13,-2.7 13,-2.2 -2,-0.4 2,-0.5 -0.878 9.3-144.3-106.7 140.0 51.2 48.0 9.1 90 89 A Y E -LM 83 101B 0 -7,-2.7 -8,-2.8 -2,-0.4 -7,-1.3 -0.941 27.5-174.5-104.1 123.3 49.2 44.7 9.3 91 90 A I E -LM 81 100B 1 9,-2.6 9,-2.9 -2,-0.5 2,-0.3 -0.900 17.2-151.0-124.9 143.9 45.8 45.1 7.9 92 91 A L E -LM 80 99B 2 -12,-3.1 -12,-2.7 -2,-0.3 2,-0.6 -0.873 15.1-135.7-111.9 150.0 42.7 42.9 7.6 93 92 A H E >> -L 79 0B 23 5,-2.2 4,-2.1 -2,-0.3 3,-0.8 -0.936 10.3-155.1-104.8 118.2 40.0 43.1 4.9 94 93 A L T 34 S+ 0 0 28 -16,-3.2 -1,-0.1 -2,-0.6 -15,-0.1 0.768 87.7 58.7 -66.4 -22.0 36.6 42.9 6.5 95 94 A S T 34 S+ 0 0 83 -17,-0.4 -1,-0.2 1,-0.2 -16,-0.1 0.745 125.9 9.7 -86.5 -23.5 34.9 41.5 3.4 96 95 A D T <4 S- 0 0 74 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.376 93.9-117.3-140.8 7.5 37.0 38.4 3.0 97 96 A N < + 0 0 76 -4,-2.1 22,-0.2 1,-0.2 -3,-0.1 0.453 61.9 148.5 75.4 -2.9 39.1 38.0 6.1 98 97 A S - 0 0 1 -5,-0.2 -5,-2.2 20,-0.1 2,-0.4 -0.190 40.4-131.1 -70.2 161.4 42.4 38.4 4.3 99 98 A I E -MN 92 116B 1 17,-3.0 16,-3.0 -7,-0.2 17,-1.7 -0.924 24.4-178.1-120.8 135.7 45.6 39.9 5.7 100 99 A Y E -MN 91 114B 31 -9,-2.9 -9,-2.6 -2,-0.4 2,-0.4 -0.897 20.8-135.2-132.6 158.6 47.8 42.5 4.1 101 100 A R E +MN 90 113B 23 12,-2.7 12,-2.6 -2,-0.3 2,-0.3 -0.928 27.3 172.4-110.4 140.8 51.0 44.4 4.6 102 101 A V E -M 89 0B 7 -13,-2.2 -13,-2.7 -2,-0.4 2,-0.7 -0.936 38.3-113.6-140.4 159.6 51.3 48.1 4.0 103 102 A D E > -M 88 0B 70 3,-0.4 3,-2.1 -2,-0.3 -15,-0.2 -0.904 23.2-154.3 -91.1 113.6 53.8 50.9 4.5 104 103 A L T 3 S+ 0 0 25 -17,-3.3 3,-0.4 -2,-0.7 -1,-0.1 0.725 94.7 55.1 -62.9 -19.0 52.2 53.1 7.1 105 104 A G T 3 S+ 0 0 71 -18,-0.5 -1,-0.3 1,-0.2 -17,-0.1 0.427 117.6 32.8 -94.9 -0.4 54.3 56.0 5.7 106 105 A D S < S- 0 0 108 -3,-2.1 -3,-0.4 2,-0.0 2,-0.3 -0.381 78.7-178.1-154.3 62.6 53.1 55.5 2.2 107 106 A L + 0 0 18 -3,-0.4 2,-0.3 -5,-0.1 -3,-0.1 -0.521 14.0 152.6 -72.5 128.8 49.5 54.2 2.3 108 107 A D > - 0 0 62 -2,-0.3 3,-2.3 1,-0.1 4,-0.4 -0.910 47.2-136.4-162.5 126.5 48.0 53.5 -1.1 109 108 A I G > S+ 0 0 53 -35,-0.6 3,-0.8 -2,-0.3 -34,-0.1 0.826 106.1 58.4 -55.4 -27.6 45.3 51.1 -2.1 110 109 A T G 3 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.575 106.8 46.1 -82.9 -6.8 47.4 50.1 -5.1 111 110 A S G < S+ 0 0 63 -3,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.243 73.4 126.9-124.0 9.0 50.3 49.0 -3.1 112 111 A I < - 0 0 32 -3,-0.8 2,-0.6 -4,-0.4 -10,-0.2 -0.446 52.9-139.6 -64.3 142.5 48.8 46.9 -0.3 113 112 A K E -N 101 0B 61 -12,-2.6 -12,-2.7 -2,-0.1 2,-0.2 -0.935 4.9-134.8-117.3 121.3 50.5 43.5 -0.3 114 113 A Y E +N 100 0B 122 -2,-0.6 -14,-0.2 -14,-0.2 -16,-0.0 -0.472 32.6 161.3 -72.3 130.4 48.5 40.3 0.3 115 114 A I E + 0 0 22 -16,-3.0 -15,-0.2 1,-0.4 -1,-0.2 0.659 58.4 0.6-119.9 -27.0 50.1 37.9 2.7 116 115 A A E -N 99 0B 0 -17,-1.7 -17,-3.0 1,-0.1 -1,-0.4 -0.994 52.7-125.1-161.2 156.3 47.4 35.5 3.9 117 116 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.590 93.3 4.6 -85.2 -8.0 43.7 34.5 3.5 118 117 A S S > S- 0 0 15 1,-0.1 4,-2.3 -20,-0.1 -19,-0.1 -0.981 77.5 -98.5-163.1 169.2 43.1 34.7 7.2 119 118 A F H > S+ 0 0 3 -2,-0.3 4,-2.3 -22,-0.2 5,-0.1 0.901 119.1 46.5 -61.5 -46.0 44.5 35.7 10.5 120 119 A D H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 111.8 53.4 -68.3 -36.1 45.4 32.1 11.7 121 120 A D H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.927 107.5 51.6 -60.1 -46.2 47.0 31.5 8.3 122 121 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.928 108.9 50.7 -54.3 -47.6 49.1 34.6 8.8 123 122 A L H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.870 111.8 47.2 -62.0 -38.0 50.2 33.4 12.2 124 123 A G H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.917 109.8 51.6 -70.0 -47.4 51.3 30.1 10.8 125 124 A K H >X S+ 0 0 30 -4,-2.8 4,-2.0 1,-0.2 3,-1.8 0.861 99.5 66.8 -50.3 -38.8 53.1 31.5 7.9 126 125 A A H 3< S+ 0 0 0 -4,-1.8 -75,-0.5 1,-0.3 -74,-0.4 0.795 89.3 65.1 -61.6 -26.6 55.0 33.8 10.2 127 126 A I T << S+ 0 0 9 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.737 122.5 13.6 -66.6 -27.2 56.8 30.8 11.8 128 127 A Y T <4 S+ 0 0 16 -3,-1.8 2,-0.5 -4,-0.4 -2,-0.2 0.398 115.5 70.4-132.0 -0.1 58.6 29.9 8.6 129 128 A L < - 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0 0 17 25,-2.3 -13,-0.2 -2,-0.4 2,-0.1 -0.490 21.6-107.6 -84.4 147.3 57.0 13.1 8.7 192 57 B A >> - 0 0 21 -2,-0.2 3,-1.8 -15,-0.1 4,-0.8 -0.416 34.1-117.4 -62.4 146.2 59.6 13.6 6.0 193 58 B I H >> S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.837 113.2 62.8 -62.1 -32.1 57.9 13.4 2.6 194 59 B E H 34 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.660 108.9 43.0 -63.4 -16.5 60.0 10.2 1.7 195 60 B D H <> S+ 0 0 76 -3,-1.8 4,-2.5 2,-0.1 5,-0.2 0.537 88.0 89.7-105.8 -12.5 58.3 8.4 4.6 196 61 B V H S+ 0 0 67 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 113.1 48.2 -62.9 -43.4 55.0 4.1 4.1 199 64 B Y H X S+ 0 0 85 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.919 110.7 51.9 -62.5 -43.7 53.4 5.6 7.3 200 65 B N H X>S+ 0 0 0 -4,-2.5 5,-1.8 -5,-0.2 4,-0.8 0.914 111.5 46.6 -60.9 -40.2 50.0 5.9 5.6 201 66 B H H ><5S+ 0 0 158 -4,-2.4 3,-0.6 -5,-0.2 -1,-0.2 0.933 112.5 50.5 -65.2 -42.4 50.2 2.3 4.5 202 67 B D H 3<5S+ 0 0 123 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.889 114.8 42.2 -63.1 -41.3 51.3 1.2 8.0 203 68 B Y H 3<5S- 0 0 64 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.541 106.4-127.0 -84.2 -8.8 48.5 3.1 9.8 204 69 B G T < + 0 0 0 -5,-1.8 4,-2.1 1,-0.2 5,-0.1 0.911 69.9 38.5 -60.2 -50.4 44.8 5.6 6.6 206 71 B Q H 4 S+ 0 0 44 -6,-0.3 -1,-0.2 1,-0.2 6,-0.1 0.891 113.2 59.7 -72.5 -33.3 43.3 5.3 3.1 207 72 B K H 4 S+ 0 0 133 1,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.865 116.2 29.9 -57.4 -44.1 41.8 1.9 4.0 208 73 B Y H < S+ 0 0 134 -4,-2.1 35,-0.7 2,-0.1 -1,-0.2 0.702 134.1 28.6 -93.1 -23.8 39.7 3.2 6.9 209 74 B L S < S- 0 0 19 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.2 0.459 104.4 -85.9-100.8-123.2 39.2 6.7 5.5 210 75 B Q > - 0 0 95 -5,-0.1 3,-1.8 3,-0.1 -1,-0.1 -0.929 40.9 -89.2-145.7 177.2 39.1 7.4 1.7 211 76 B K T 3 S+ 0 0 154 -2,-0.3 -5,-0.1 1,-0.3 -4,-0.1 0.661 117.3 62.3 -66.5 -19.8 41.8 8.1 -0.8 212 77 B E T 3 S+ 0 0 44 -6,-0.1 16,-2.8 15,-0.1 2,-0.5 0.682 87.7 84.0 -78.1 -18.1 41.7 11.8 -0.4 213 78 B Y E < + E 0 227A 27 -3,-1.8 2,-0.4 14,-0.2 14,-0.2 -0.793 55.6 177.0 -96.4 128.9 42.8 11.7 3.2 214 79 B W E - E 0 226A 35 12,-2.6 12,-2.7 -2,-0.5 2,-0.2 -0.994 25.8-131.0-133.6 126.1 46.6 11.5 3.9 215 80 B A E + E 0 225A 0 -2,-0.4 10,-0.3 10,-0.3 -15,-0.2 -0.547 24.3 174.2 -71.5 138.4 48.3 11.5 7.3 216 81 B F E - 0 0 1 8,-2.6 -25,-2.3 1,-0.3 2,-0.3 0.457 61.9 -19.0-123.3 -7.1 51.2 13.9 7.5 217 82 B G E -DE 190 224A 0 7,-1.2 7,-2.6 -27,-0.3 -1,-0.3 -0.966 57.4-146.5 179.9-171.5 52.2 13.6 11.2 218 83 B X E -DE 189 223A 41 -29,-2.4 -29,-2.1 -2,-0.3 5,-0.2 -0.949 19.0-142.8-162.4 170.1 51.1 12.6 14.7 219 84 B D E > S- E 0 222A 35 3,-2.6 3,-2.1 -2,-0.3 2,-0.3 -0.695 71.9 -71.9-146.9 89.6 51.2 13.0 18.4 220 85 B G T 3 S+ 0 0 44 1,-0.3 -1,-0.2 -2,-0.2 18,-0.1 -0.433 123.0 4.2 61.9-119.3 51.1 9.6 19.9 221 86 B D T 3 S+ 0 0 123 -2,-0.3 17,-2.9 -3,-0.1 18,-0.4 0.676 119.9 87.2 -66.3 -23.8 47.7 8.1 19.5 222 87 B I E < -EF 219 237A 30 -3,-2.1 -3,-2.6 15,-0.2 2,-0.4 -0.679 61.8-159.4 -89.3 131.1 46.6 11.1 17.5 223 88 B G E -EF 218 236A 0 13,-2.9 13,-2.2 -2,-0.4 2,-0.5 -0.852 10.4-142.4-103.6 142.3 47.1 11.4 13.7 224 89 B Y E -EF 217 235A 0 -7,-2.6 -8,-2.6 -2,-0.4 -7,-1.2 -0.946 27.3-175.1-103.2 125.1 47.1 14.6 11.8 225 90 B I E -EF 215 234A 0 9,-2.6 9,-2.7 -2,-0.5 2,-0.3 -0.895 12.8-160.1-125.3 147.3 45.5 14.2 8.4 226 91 B L E -EF 214 233A 4 -12,-2.7 -12,-2.6 -2,-0.3 2,-0.5 -0.910 20.8-125.5-123.4 155.8 45.0 16.4 5.4 227 92 B H E > -E 213 0A 28 5,-2.1 4,-1.7 -2,-0.3 -14,-0.2 -0.892 17.8-146.3 -97.2 126.2 42.5 16.3 2.5 228 93 B L T 4 S+ 0 0 20 -16,-2.8 -1,-0.1 -2,-0.5 -15,-0.1 0.767 92.0 38.9 -66.7 -26.3 44.4 16.4 -0.8 229 94 B S T 4 S+ 0 0 96 -17,-0.2 -1,-0.2 1,-0.1 -16,-0.0 0.906 127.5 25.0 -90.4 -50.8 41.8 18.4 -2.7 230 95 B D T 4 S- 0 0 87 2,-0.1 -2,-0.2 -64,-0.0 -1,-0.1 0.453 94.0-128.4-103.3 0.1 40.4 21.0 -0.3 231 96 B N < + 0 0 60 -4,-1.7 -3,-0.1 1,-0.2 22,-0.1 0.356 51.1 156.4 76.7 -2.9 43.5 21.2 2.0 232 97 B S - 0 0 3 -6,-0.1 -5,-2.1 20,-0.1 2,-0.4 -0.176 32.3-140.1 -61.4 151.7 41.4 20.7 5.2 233 98 B I E +FG 226 250A 1 17,-2.9 16,-3.0 -7,-0.2 17,-1.6 -0.920 21.9 177.3-120.7 136.5 43.2 19.4 8.4 234 99 B Y E -FG 225 248A 30 -9,-2.7 -9,-2.6 -2,-0.4 2,-0.4 -0.916 24.3-134.2-136.0 156.4 41.9 16.8 10.9 235 100 B R E +FG 224 247A 23 12,-2.3 12,-2.8 -2,-0.3 2,-0.3 -0.925 28.5 175.5-106.1 141.6 42.8 14.9 14.0 236 101 B V E -F 223 0A 6 -13,-2.2 -13,-2.9 -2,-0.4 2,-0.8 -0.953 37.9-113.4-137.6 157.7 42.1 11.2 14.3 237 102 B D E > -F 222 0A 70 3,-0.4 3,-2.2 -2,-0.3 -15,-0.2 -0.868 24.8-153.8 -88.8 111.7 42.7 8.4 16.7 238 103 B L T 3 S+ 0 0 24 -17,-2.9 3,-0.4 -2,-0.8 -1,-0.1 0.720 94.5 55.4 -60.6 -19.6 45.1 6.2 14.8 239 104 B G T 3 S+ 0 0 72 -18,-0.4 -1,-0.3 1,-0.2 -17,-0.1 0.432 117.8 32.8 -94.8 -1.1 43.9 3.3 16.9 240 105 B D S < S- 0 0 107 -3,-2.2 -3,-0.4 2,-0.0 2,-0.3 -0.386 78.4-178.3-150.3 63.7 40.2 3.9 16.0 241 106 B L + 0 0 21 -3,-0.4 2,-0.3 -5,-0.1 -3,-0.1 -0.525 13.0 155.9 -75.5 130.3 40.1 5.2 12.5 242 107 B D >> - 0 0 65 -2,-0.3 3,-1.9 1,-0.1 4,-0.7 -0.937 43.8-139.6-159.5 122.7 36.6 6.0 11.3 243 108 B I G >4 S+ 0 0 60 -35,-0.7 3,-0.7 -2,-0.3 -34,-0.1 0.856 105.6 56.7 -55.0 -31.9 35.5 8.5 8.6 244 109 B T G 34 S+ 0 0 118 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.657 108.2 47.6 -77.6 -11.6 32.6 9.6 10.8 245 110 B S G <4 S+ 0 0 62 -3,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.417 72.6 125.6-113.5 -2.7 34.9 10.5 13.6 246 111 B I << - 0 0 29 -4,-0.7 2,-0.7 -3,-0.7 -10,-0.2 -0.379 55.6-136.6 -60.7 136.9 37.6 12.6 12.0 247 112 B K E -G 235 0A 67 -12,-2.8 -12,-2.3 -2,-0.1 2,-0.2 -0.849 8.6-137.2-106.1 111.7 37.8 15.9 13.8 248 113 B Y E +G 234 0A 124 -2,-0.7 -14,-0.3 -14,-0.2 -16,-0.0 -0.414 33.2 160.6 -63.7 129.2 38.2 19.1 11.7 249 114 B I E + 0 0 17 -16,-3.0 -15,-0.2 1,-0.4 -1,-0.2 0.623 57.9 4.3-124.5 -23.7 40.7 21.5 13.1 250 115 B A E -G 233 0A 0 -17,-1.6 -17,-2.9 1,-0.1 -1,-0.4 -0.984 53.4-127.4-165.2 150.5 41.7 23.9 10.2 251 116 B P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.608 91.7 2.5 -78.2 -13.3 41.1 24.8 6.6 252 117 B S S > S- 0 0 13 1,-0.1 4,-2.3 -20,-0.1 -19,-0.1 -0.977 78.8 -95.0-162.1 171.7 44.7 24.6 5.6 253 118 B F H > S+ 0 0 4 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.904 119.9 46.2 -63.3 -47.8 48.2 23.7 6.7 254 119 B D H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 111.0 53.8 -67.8 -34.5 49.3 27.3 7.6 255 120 B D H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.945 107.9 51.1 -61.3 -46.1 46.1 27.9 9.4 256 121 B F H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.919 108.9 50.5 -51.4 -51.2 46.8 24.8 11.5 257 122 B L H X S+ 0 0 5 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.868 113.1 46.5 -59.4 -39.7 50.3 26.0 12.3 258 123 B G H >X S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 4,-0.6 0.917 110.2 50.9 -72.2 -45.0 48.9 29.3 13.4 259 124 B K H >X S+ 0 0 28 -4,-2.9 4,-1.9 1,-0.2 3,-1.2 0.848 98.8 69.7 -54.1 -40.6 46.1 28.0 15.5 260 125 B A H 3< S+ 0 0 0 -4,-1.9 -75,-0.5 1,-0.2 -74,-0.4 0.806 88.6 62.1 -54.7 -28.2 48.5 25.7 17.2 261 126 B I H << S+ 0 0 8 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.850 122.1 18.2 -70.8 -27.1 50.2 28.6 19.1 262 127 B Y H << S+ 0 0 14 -3,-1.2 2,-0.4 -4,-0.6 -1,-0.2 0.454 115.0 67.3-125.7 -1.1 47.1 29.5 20.9 263 128 B L < - 0 0 58 -4,-1.9 2,-0.8 -5,-0.1 -1,-0.1 -0.980 67.1-141.1-128.3 126.1 44.7 26.6 20.8 264 129 B N > - 0 0 49 -2,-0.4 3,-2.1 1,-0.2 -80,-0.1 -0.745 9.0-158.3 -85.5 111.5 45.3 23.3 22.5 265 130 B F T 3 S+ 0 0 10 -2,-0.8 -1,-0.2 1,-0.3 -30,-0.0 0.643 92.7 61.3 -69.7 -13.6 44.0 20.7 20.0 266 131 B N T 3 0 0 102 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.572 360.0 360.0 -80.4 -10.8 43.6 18.1 23.0 267 132 B K < 0 0 184 -3,-2.1 -1,-0.3 0, 0.0 -3,-0.1 -0.583 360.0 360.0 66.0 360.0 41.2 20.7 24.3