==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 21-JUL-06 2HSG . COMPND 2 MOLECULE: GLUCOSE-RESISTANCE AMYLASE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR B.LOLL,C.ALINGS,W.SAENGER,J.BIESIADKA . 328 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 0 0.0 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 . 24 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.7 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 1 2 1 0 1 1 0 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 6 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A N 0 0 174 0, 0.0 2,-0.4 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 -28.3 -52.3 22.3 -34.1 2 3 A V - 0 0 27 50,-0.2 44,-0.3 42,-0.1 2,-0.3 -0.979 360.0-174.6-139.5 125.8 -52.8 25.9 -32.8 3 4 A T >> - 0 0 63 -2,-0.4 4,-2.2 1,-0.1 3,-0.8 -0.773 45.5-103.1-116.4 162.1 -55.4 27.6 -30.6 4 5 A I H 3> S+ 0 0 43 -2,-0.3 4,-2.4 1,-0.3 3,-0.4 0.943 125.9 56.9 -34.6 -54.4 -56.3 31.0 -29.3 5 6 A Y H 3> S+ 0 0 149 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.828 103.4 51.4 -52.4 -42.7 -54.6 29.8 -26.1 6 7 A D H <> S+ 0 0 36 -3,-0.8 4,-1.7 1,-0.2 -1,-0.3 0.932 112.8 46.2 -63.5 -39.9 -51.4 29.0 -28.0 7 8 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 -3,-0.4 -2,-0.2 0.889 109.6 52.2 -67.6 -46.4 -51.4 32.5 -29.5 8 9 A A H <>S+ 0 0 6 -4,-2.4 5,-3.0 1,-0.2 -1,-0.2 0.842 110.9 48.0 -63.1 -43.6 -52.1 34.4 -26.2 9 10 A R H ><5S+ 0 0 133 -4,-1.9 3,-1.0 -5,-0.2 -1,-0.2 0.915 113.4 49.1 -54.3 -48.4 -49.3 32.6 -24.4 10 11 A E H 3<5S+ 0 0 77 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.809 118.1 37.1 -70.9 -35.5 -46.9 33.4 -27.3 11 12 A A T 3<5S- 0 0 6 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.207 111.4-120.3 -95.4 9.3 -47.8 37.1 -27.5 12 13 A S T < 5S+ 0 0 97 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.927 74.4 109.1 44.9 63.1 -48.1 37.4 -23.8 13 14 A V S > - 0 0 61 -2,-0.3 4,-2.4 1,-0.1 3,-1.1 -0.497 34.4-112.5 -70.6 154.3 -55.0 36.9 -22.6 15 16 A M H 3> S+ 0 0 99 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.886 119.4 59.6 -47.5 -39.0 -57.2 34.8 -24.9 16 17 A A H 3> S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.881 104.9 48.4 -68.6 -25.2 -59.8 37.5 -24.7 17 18 A T H <> S+ 0 0 24 -3,-1.1 4,-2.4 2,-0.2 5,-0.2 0.956 107.7 53.3 -83.1 -41.4 -57.3 39.9 -26.3 18 19 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.3 -1,-0.2 0.874 113.2 45.6 -54.8 -38.2 -56.3 37.6 -29.1 19 20 A S H X S+ 0 0 36 -4,-2.2 4,-3.5 -5,-0.2 -1,-0.3 0.850 107.2 57.2 -69.5 -39.3 -60.0 37.4 -29.8 20 21 A R H <>S+ 0 0 104 -4,-1.6 5,-3.0 -5,-0.2 -2,-0.2 0.881 113.2 40.9 -59.9 -34.9 -60.4 41.1 -29.6 21 22 A V H ><5S+ 0 0 10 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.923 112.9 53.4 -83.3 -40.7 -57.8 41.3 -32.2 22 23 A V H 3<5S+ 0 0 49 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.914 109.9 49.4 -52.1 -42.0 -59.2 38.4 -34.2 23 24 A N T 3<5S- 0 0 127 -4,-3.5 -1,-0.3 -5,-0.1 -2,-0.2 0.387 117.7-114.9 -83.9 8.3 -62.6 40.2 -34.2 24 25 A G T < 5 - 0 0 50 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.763 42.3-172.7 62.6 26.8 -61.0 43.4 -35.4 25 26 A N > < - 0 0 59 -5,-3.0 3,-0.7 -6,-0.2 -1,-0.2 -0.323 14.9-148.3 -50.6 127.5 -61.8 45.2 -32.1 26 27 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.351 84.9 62.1 -81.0 -7.4 -60.7 48.8 -32.9 27 28 A N T 3 S+ 0 0 148 -7,-0.1 2,-0.7 2,-0.1 -2,-0.1 0.052 70.4 119.2-112.0 23.0 -59.6 49.9 -29.4 28 29 A V S < S- 0 0 15 -3,-0.7 5,-0.2 -8,-0.1 -11,-0.0 -0.813 81.7-103.4 -85.7 120.8 -56.8 47.5 -29.0 29 30 A K > - 0 0 144 -2,-0.7 4,-2.5 1,-0.2 3,-0.2 -0.107 32.2-131.1 -38.1 126.1 -53.6 49.3 -28.6 30 31 A P H > S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.745 105.9 59.6 -69.1 -20.1 -52.1 48.9 -32.0 31 32 A S H > S+ 0 0 54 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.924 108.7 46.7 -65.1 -43.7 -48.8 47.7 -30.7 32 33 A T H > S+ 0 0 29 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.969 112.5 48.1 -58.3 -55.4 -50.7 44.9 -29.1 33 34 A R H X S+ 0 0 63 -4,-2.5 4,-3.8 1,-0.2 5,-0.2 0.936 111.0 53.7 -45.5 -48.9 -52.6 44.2 -32.3 34 35 A K H X S+ 0 0 134 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.944 111.8 41.4 -60.1 -51.0 -49.3 44.3 -34.1 35 36 A K H X S+ 0 0 84 -4,-2.7 4,-1.8 1,-0.2 3,-0.5 0.923 115.3 51.1 -64.6 -40.7 -47.7 41.7 -31.9 36 37 A V H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.3 -2,-0.2 0.927 110.1 50.4 -66.7 -38.2 -50.8 39.6 -31.8 37 38 A L H X S+ 0 0 86 -4,-3.8 4,-1.9 -5,-0.3 -1,-0.3 0.778 110.6 48.3 -63.0 -29.7 -51.0 39.6 -35.6 38 39 A E H X S+ 0 0 104 -4,-1.4 4,-2.4 -3,-0.5 -1,-0.2 0.777 111.0 50.7 -85.5 -29.5 -47.4 38.6 -36.1 39 40 A T H X S+ 0 0 6 -4,-1.8 4,-3.8 2,-0.2 5,-0.3 0.925 111.2 49.9 -67.9 -47.0 -47.8 35.8 -33.6 40 41 A I H X>S+ 0 0 26 -4,-2.5 5,-2.0 2,-0.2 4,-1.6 0.909 115.3 41.5 -52.6 -54.6 -50.9 34.6 -35.5 41 42 A E H <5S+ 0 0 161 -4,-1.9 3,-0.3 3,-0.2 -2,-0.2 0.977 117.4 50.0 -60.2 -48.6 -49.2 34.7 -38.8 42 43 A R H <5S+ 0 0 151 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.929 115.0 39.1 -62.2 -52.2 -46.1 33.2 -37.3 43 44 A L H <5S- 0 0 54 -4,-3.8 -1,-0.3 -5,-0.1 -2,-0.2 0.757 110.7-117.0 -69.2 -24.1 -47.7 30.2 -35.5 44 45 A G T <5 + 0 0 37 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.763 49.4 173.1 92.2 31.7 -50.2 29.6 -38.4 45 46 A Y < - 0 0 16 -5,-2.0 -1,-0.2 -6,-0.3 -42,-0.1 -0.547 15.4-161.9 -78.3 130.4 -53.3 30.3 -36.4 46 47 A R - 0 0 113 -2,-0.3 -44,-0.1 -44,-0.3 6,-0.0 -0.893 14.1-152.4-106.1 142.0 -56.5 30.4 -38.4 47 48 A P S S+ 0 0 83 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.694 76.6 88.0 -81.9 -24.2 -59.6 32.1 -36.9 48 49 A N > - 0 0 86 1,-0.2 4,-2.0 -3,-0.1 -2,-0.1 -0.668 65.5-158.3 -76.7 124.3 -61.9 29.9 -38.8 49 50 A A H > S+ 0 0 61 -2,-0.5 4,-3.2 2,-0.2 5,-0.2 0.869 90.3 54.2 -68.5 -42.8 -62.6 26.7 -36.9 50 51 A V H > S+ 0 0 98 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.913 116.8 39.2 -64.7 -37.4 -63.7 24.6 -39.9 51 52 A A H > S+ 0 0 34 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.837 114.4 53.6 -70.4 -39.4 -60.4 25.5 -41.5 52 53 A R H < S+ 0 0 62 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.919 113.9 43.1 -66.4 -38.5 -58.4 25.2 -38.3 53 54 A G H >X S+ 0 0 42 -4,-3.2 3,-1.0 1,-0.2 4,-0.8 0.800 110.1 56.8 -70.8 -34.2 -59.8 21.7 -37.8 54 55 A L H 3< S+ 0 0 144 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.827 103.2 53.9 -69.1 -31.1 -59.3 20.8 -41.5 55 56 A A T 3< S+ 0 0 59 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.464 124.4 17.8 -81.0 3.7 -55.5 21.6 -41.3 56 57 A S T <4 0 0 38 -3,-1.0 -2,-0.2 -5,-0.1 -3,-0.1 0.650 360.0 360.0-137.0 -85.2 -55.1 19.3 -38.3 57 58 A K < 0 0 84 -4,-0.8 57,-0.1 2,-0.0 -2,-0.1 -0.725 360.0 360.0 129.9 360.0 -57.2 16.4 -36.8 58 ! 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 59 60 A T 0 0 84 0, 0.0 56,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 5.0 -53.9 12.3 -36.0 60 61 A T - 0 0 22 54,-0.2 30,-1.6 29,-0.1 2,-0.3 0.855 360.0-165.0 89.7 105.3 -52.5 10.0 -33.4 61 62 A T E -a 90 0A 20 53,-1.5 2,-0.4 52,-0.2 56,-0.3 -0.823 6.7-151.8-130.5 155.8 -49.7 11.2 -31.1 62 63 A V E -a 91 0A 0 28,-3.5 30,-2.7 -2,-0.3 2,-0.2 -0.949 8.2-142.9-140.4 121.2 -47.2 9.6 -28.7 63 64 A G E -ab 92 118A 3 54,-1.9 56,-2.8 -2,-0.4 2,-0.5 -0.527 15.4-161.9 -78.4 140.0 -45.4 10.8 -25.6 64 65 A V E -ab 93 119A 5 28,-3.9 30,-1.1 -2,-0.2 2,-0.6 -0.970 3.2-165.5-132.2 110.0 -41.9 9.6 -25.1 65 66 A I E +ab 94 120A 4 54,-2.3 56,-1.7 -2,-0.5 30,-0.2 -0.900 22.5 160.8 -98.9 118.8 -40.3 9.8 -21.6 66 67 A I E a 95 0A 2 28,-2.1 30,-1.9 -2,-0.6 56,-0.1 -0.983 360.0 360.0-148.7 136.2 -36.6 9.4 -21.7 67 68 A P 0 0 14 0, 0.0 3,-0.3 0, 0.0 30,-0.2 -0.269 360.0 360.0 -54.3 360.0 -33.6 10.2 -19.4 68 ! 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 69 71 A S 0 0 57 0, 0.0 26,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 78.8 -30.8 11.8 -24.1 70 72 A N - 0 0 86 -3,-0.3 0, 0.0 0, 0.0 0, 0.0 0.805 360.0 -68.0 -67.8-102.4 -27.1 11.0 -24.4 71 73 A I S > S+ 0 0 78 3,-0.1 4,-2.3 2,-0.1 5,-0.3 0.717 125.9 49.7-131.9 -59.2 -26.6 8.4 -27.2 72 74 A F H > S+ 0 0 44 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.878 117.4 52.1 -68.5 -18.7 -27.9 4.9 -26.7 73 75 A Y H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.851 103.7 56.7 -71.6 -37.6 -31.0 6.9 -25.8 74 76 A A H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.950 105.5 48.9 -64.0 -49.1 -30.7 8.9 -29.1 75 77 A E H X S+ 0 0 94 -4,-2.3 4,-2.1 2,-0.3 -1,-0.2 0.846 108.4 54.4 -59.1 -32.9 -30.8 5.7 -31.2 76 78 A L H X S+ 0 0 5 -4,-1.1 4,-1.9 -5,-0.3 -1,-0.2 0.908 111.1 47.4 -66.6 -36.2 -33.8 4.5 -29.3 77 79 A A H X S+ 0 0 2 -4,-1.9 4,-3.8 2,-0.2 5,-0.3 0.934 108.7 51.6 -65.2 -50.1 -35.3 7.9 -30.2 78 80 A R H X S+ 0 0 105 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.907 108.9 54.0 -57.2 -36.3 -34.4 7.7 -33.8 79 81 A G H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.904 113.2 40.2 -67.2 -45.1 -36.0 4.3 -33.9 80 82 A I H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 3,-0.4 0.939 115.2 52.2 -64.6 -47.4 -39.3 5.6 -32.5 81 83 A E H X S+ 0 0 45 -4,-3.8 4,-2.2 1,-0.2 -2,-0.2 0.913 105.3 56.5 -60.4 -37.2 -39.1 8.7 -34.6 82 84 A D H X S+ 0 0 74 -4,-2.9 4,-1.3 -5,-0.3 -1,-0.2 0.865 110.4 43.0 -69.2 -33.3 -38.6 6.7 -37.7 83 85 A I H X S+ 0 0 7 -4,-1.3 4,-2.9 -3,-0.4 -1,-0.2 0.883 110.9 54.5 -78.4 -38.3 -41.8 4.7 -37.1 84 86 A A H X>S+ 0 0 3 -4,-2.6 5,-2.9 1,-0.2 4,-0.8 0.915 106.4 56.9 -52.5 -39.1 -43.8 7.7 -36.1 85 87 A T H <5S+ 0 0 98 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.934 114.3 32.2 -68.5 -43.9 -42.7 9.3 -39.4 86 88 A M H <5S+ 0 0 109 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 118.5 54.2 -84.4 -28.7 -44.0 6.6 -41.8 87 89 A Y H <5S- 0 0 73 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.658 110.4-129.3 -72.9 -5.6 -46.9 5.8 -39.5 88 90 A K T <5 + 0 0 164 -4,-0.8 -3,-0.2 -5,-0.2 2,-0.2 0.875 62.5 135.3 58.0 38.8 -47.6 9.6 -39.8 89 91 A Y < - 0 0 37 -5,-2.9 2,-0.4 -6,-0.2 -28,-0.2 -0.636 51.1-113.4-107.1 174.9 -47.9 9.9 -36.0 90 92 A N E -a 61 0A 90 -30,-1.6 -28,-3.5 -2,-0.2 2,-0.5 -0.918 14.9-140.2-123.8 147.0 -46.4 12.5 -33.7 91 93 A I E -a 62 0A 46 -2,-0.4 2,-0.6 -30,-0.2 -28,-0.2 -0.795 9.3-170.6-105.5 122.1 -43.7 12.4 -31.1 92 94 A I E -a 63 0A 63 -30,-2.7 -28,-3.9 -2,-0.5 2,-0.3 -0.969 23.1-177.7-101.2 106.6 -43.7 14.3 -27.8 93 95 A L E +a 64 0A 62 -2,-0.6 2,-0.3 -30,-0.2 -28,-0.2 -0.779 6.8 169.0-103.0 153.1 -40.2 13.7 -26.5 94 96 A S E -a 65 0A 26 -30,-1.1 -28,-2.1 -2,-0.3 2,-0.4 -0.858 31.1-125.6-167.5 125.9 -39.0 15.0 -23.1 95 97 A N E +a 66 0A 78 -2,-0.3 2,-0.3 -30,-0.2 -30,-0.1 -0.622 34.7 166.6 -77.2 128.5 -36.0 14.4 -21.0 96 98 A S + 0 0 0 -30,-1.9 3,-0.1 -2,-0.4 -2,-0.1 -0.992 11.4 158.7-139.6 139.1 -36.7 13.3 -17.4 97 99 A D + 0 0 91 -2,-0.3 -1,-0.1 -30,-0.2 2,-0.1 0.689 54.8 71.9-122.7 -61.0 -34.2 11.8 -14.9 98 100 A Q S > S- 0 0 138 1,-0.2 4,-3.8 4,-0.0 3,-0.3 -0.391 82.2-124.7 -64.3 135.4 -35.3 12.2 -11.4 99 101 A N H > S+ 0 0 48 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.778 117.4 55.8 -53.1 -23.7 -38.2 9.8 -10.6 100 102 A Q H > S+ 0 0 155 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.909 110.6 41.9 -72.6 -46.4 -39.9 13.0 -9.5 101 103 A D H > S+ 0 0 67 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.891 114.7 55.9 -58.9 -40.0 -39.3 14.5 -12.9 102 104 A K H X S+ 0 0 17 -4,-3.8 4,-0.8 1,-0.2 -2,-0.2 0.861 108.1 43.9 -63.4 -40.2 -40.3 11.1 -14.3 103 105 A E H X S+ 0 0 35 -4,-1.8 4,-2.1 -5,-0.2 5,-0.2 0.778 110.9 53.4 -85.9 -24.9 -43.7 10.8 -12.7 104 106 A L H X S+ 0 0 116 -4,-1.3 4,-4.6 2,-0.2 -2,-0.2 0.987 104.5 54.4 -68.6 -55.9 -44.7 14.4 -13.5 105 107 A H H X S+ 0 0 26 -4,-1.9 4,-1.8 2,-0.2 5,-0.5 0.802 109.5 53.4 -42.3 -35.4 -44.0 13.9 -17.2 106 108 A L H X S+ 0 0 5 -4,-0.8 4,-1.2 2,-0.2 -2,-0.2 0.992 117.1 31.0 -68.5 -66.9 -46.4 11.0 -16.8 107 109 A L H < S+ 0 0 57 -4,-2.1 4,-0.3 2,-0.1 -2,-0.2 0.784 123.4 63.2 -57.6 -23.2 -49.4 12.7 -15.3 108 110 A N H >< S+ 0 0 91 -4,-4.6 3,-2.8 -5,-0.2 -2,-0.2 0.971 111.2 23.8 -67.5 -89.4 -48.0 15.6 -17.4 109 111 A N H 3< S+ 0 0 21 -4,-1.8 -1,-0.2 1,-0.3 -3,-0.2 0.740 102.5 93.9 -57.4 -8.6 -48.1 14.7 -21.1 110 112 A M T 3< S+ 0 0 43 -4,-1.2 2,-1.0 -5,-0.5 -1,-0.3 0.755 74.9 63.6 -56.3 -24.8 -50.9 12.4 -19.9 111 113 A L S < S+ 0 0 89 -3,-2.8 -1,-0.3 -4,-0.3 -2,-0.1 -0.545 85.3 139.4 -86.9 64.5 -53.1 15.3 -20.8 112 114 A G - 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