==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-DEC-03 1RVK . COMPND 2 MOLECULE: ISOMERASE/LACTONIZING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,R.THIRUMURUHAN,W.ZENCHECK,C.MILLIKIN . 381 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.7 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 . 3 0.8 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 . 21 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 2 0 0 1 2 0 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 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 PARALLEL BRIDGES PER LADDER . 4 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 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 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 1 A X 0 0 87 0, 0.0 74,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 4.5 109.9 50.5 58.2 2 2 A I B -A 74 0A 36 72,-0.2 41,-2.2 73,-0.1 2,-0.3 -0.532 360.0-115.6 -76.8 136.5 108.6 47.5 56.3 3 3 A I E +B 42 0B 1 70,-2.6 69,-2.9 67,-0.4 39,-0.3 -0.560 38.0 168.4 -73.4 127.9 107.4 44.5 58.2 4 4 A T E + 0 0 54 37,-2.9 2,-0.3 -2,-0.3 38,-0.2 0.647 59.5 27.8-113.1 -23.3 109.5 41.4 57.7 5 5 A D E -B 41 0B 65 36,-1.8 36,-2.6 65,-0.1 2,-0.4 -0.998 44.9-170.3-146.2 147.7 108.3 39.0 60.4 6 6 A V E +B 40 0B 7 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.975 27.5 176.3-133.2 114.0 105.3 38.1 62.5 7 7 A E E -B 39 0B 54 32,-2.8 32,-3.1 -2,-0.4 2,-0.4 -0.935 21.8-154.7-128.3 149.4 106.0 35.6 65.3 8 8 A V E -B 38 0B 43 -2,-0.3 2,-0.5 30,-0.2 30,-0.2 -0.979 7.8-170.0-122.5 129.3 104.2 34.0 68.1 9 9 A R E -B 37 0B 69 28,-2.5 28,-2.2 -2,-0.4 2,-0.5 -0.976 6.8-160.2-121.6 117.7 105.9 32.7 71.3 10 10 A V E +B 36 0B 32 -2,-0.5 371,-2.6 26,-0.2 2,-0.3 -0.836 20.5 163.6 -99.3 133.2 103.9 30.6 73.7 11 11 A F E -BC 35 380B 0 24,-2.8 24,-3.2 -2,-0.5 2,-0.5 -0.889 37.2-101.9-140.9 171.0 105.2 30.3 77.2 12 12 A R E -B 34 0B 88 367,-2.4 2,-0.4 -2,-0.3 22,-0.2 -0.858 28.4-167.3-103.2 128.5 104.0 29.2 80.7 13 13 A T E -B 33 0B 12 20,-2.8 20,-3.0 -2,-0.5 2,-0.6 -0.897 19.9-130.0-111.5 141.9 103.0 31.8 83.3 14 14 A T E +B 32 0B 72 -2,-0.4 330,-0.3 18,-0.2 2,-0.3 -0.830 44.6 147.9 -94.6 122.5 102.5 30.8 87.0 15 15 A T E -B 31 0B 43 16,-2.6 16,-2.5 -2,-0.6 328,-0.0 -0.959 52.6-141.4-150.2 164.2 99.3 32.2 88.4 16 16 A R E S+ 0 0 136 -2,-0.3 12,-2.8 14,-0.2 2,-0.5 0.245 71.1 112.9-108.7 7.7 96.5 31.5 90.8 17 17 A R E +B 27 0B 117 10,-0.2 2,-0.2 14,-0.2 -2,-0.1 -0.712 42.6 173.9 -86.0 125.5 93.9 32.9 88.4 18 18 A H E -B 26 0B 51 8,-3.0 8,-2.1 -2,-0.5 2,-0.4 -0.751 20.7-142.7-121.8 171.2 91.5 30.3 87.1 19 19 A S E -B 25 0B 69 6,-0.3 6,-0.2 -2,-0.2 -2,-0.0 -0.994 15.2-135.3-139.6 130.7 88.3 30.6 84.9 20 20 A D > - 0 0 31 4,-2.6 3,-1.9 -2,-0.4 6,-0.0 -0.056 42.1 -83.0 -75.1-177.3 85.2 28.5 85.3 21 21 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.747 131.3 50.4 -59.5 -25.7 83.2 26.9 82.5 22 22 A A T 3 S- 0 0 54 2,-0.1 -1,-0.3 152,-0.1 -2,-0.0 0.440 122.3-105.1 -91.9 -2.0 81.4 30.1 81.7 23 23 A G S < S+ 0 0 48 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.575 70.8 143.4 92.2 10.1 84.7 32.1 81.5 24 24 A H - 0 0 17 151,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.682 49.2-118.9 -87.7 137.4 84.5 33.9 84.9 25 25 A A E +B 19 0B 6 -2,-0.3 114,-0.4 -6,-0.2 -6,-0.3 -0.464 37.4 165.9 -77.7 143.9 87.7 34.4 86.8 26 26 A H E -B 18 0B 29 -8,-2.1 -8,-3.0 -2,-0.2 2,-0.3 -0.981 38.3-104.8-151.1 154.1 88.3 33.0 90.3 27 27 A P E +B 17 0B 12 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.640 53.8 142.9 -84.2 142.2 91.3 32.5 92.6 28 28 A G E - 0 0 22 -12,-2.8 3,-0.1 -2,-0.3 -10,-0.0 -0.724 49.1 -26.9-152.1-157.9 92.5 28.9 92.9 29 29 A P E S- 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.266 71.4 -97.3 -64.0 151.0 95.6 26.7 93.2 30 30 A A E + 0 0 56 -14,-0.1 2,-0.3 -16,-0.1 -14,-0.2 -0.533 62.4 155.2 -68.7 133.3 98.8 28.0 91.8 31 31 A H E -B 15 0B 66 -16,-2.5 -16,-2.6 -2,-0.2 2,-0.5 -0.963 45.2 -97.5-153.2 167.9 99.2 26.5 88.3 32 32 A Q E -B 14 0B 111 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.2 -0.826 35.2-169.6 -98.3 128.4 100.9 27.1 85.0 33 33 A V E -B 13 0B 51 -20,-3.0 -20,-2.8 -2,-0.5 2,-0.4 -0.935 25.1-116.5-117.3 137.5 98.9 28.7 82.2 34 34 A E E -B 12 0B 96 -2,-0.4 2,-0.3 -22,-0.2 -22,-0.2 -0.576 35.6-178.7 -75.2 128.7 99.9 29.0 78.6 35 35 A Q E -B 11 0B 34 -24,-3.2 -24,-2.8 -2,-0.4 2,-0.4 -0.941 13.6-144.0-125.7 147.9 100.2 32.6 77.4 36 36 A A E -BD 10 52B 0 16,-2.5 16,-2.2 -2,-0.3 2,-0.5 -0.903 5.3-159.9-118.1 144.6 101.1 33.8 73.9 37 37 A X E -BD 9 51B 3 -28,-2.2 -28,-2.5 -2,-0.4 2,-0.5 -0.987 9.3-152.9-122.2 125.1 103.2 36.8 72.9 38 38 A L E -BD 8 50B 1 12,-3.2 12,-1.6 -2,-0.5 2,-0.4 -0.841 12.7-168.3 -97.3 131.2 102.9 38.2 69.3 39 39 A T E -BD 7 49B 2 -32,-3.1 -32,-2.8 -2,-0.5 2,-0.5 -0.981 8.5-165.3-124.2 132.0 105.9 40.0 67.9 40 40 A V E -BD 6 48B 0 8,-2.5 8,-1.8 -2,-0.4 2,-0.4 -0.968 13.9-169.5-114.5 127.1 106.0 42.1 64.7 41 41 A R E -BD 5 47B 41 -36,-2.6 -37,-2.9 -2,-0.5 -36,-1.8 -0.924 6.3-153.2-122.1 145.6 109.5 42.9 63.3 42 42 A T E > -B 3 0B 2 4,-2.0 3,-2.3 -2,-0.4 -39,-0.2 -0.567 38.6 -91.3-108.2 173.4 110.6 45.3 60.6 43 43 A E T 3 S+ 0 0 125 -41,-2.2 -40,-0.1 1,-0.3 -1,-0.0 0.847 123.9 53.7 -50.4 -42.5 113.6 45.4 58.2 44 44 A D T 3 S- 0 0 106 -42,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.393 120.5-106.2 -78.3 3.9 115.7 47.5 60.7 45 45 A G S < S+ 0 0 42 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.1 0.434 70.0 146.5 88.5 -2.6 115.1 44.9 63.4 46 46 A Q - 0 0 69 -5,-0.0 -4,-2.0 1,-0.0 2,-0.3 -0.402 30.8-158.7 -66.7 145.7 112.7 47.1 65.5 47 47 A E E -D 41 0B 59 -6,-0.2 2,-0.4 63,-0.1 -6,-0.2 -0.927 18.1-164.0-132.1 155.7 110.0 45.0 67.2 48 48 A G E -D 40 0B 0 -8,-1.8 -8,-2.5 -2,-0.3 2,-0.3 -0.989 16.6-164.7-134.4 140.7 106.6 45.5 68.7 49 49 A H E +D 39 0B 6 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.910 13.4 172.7-131.4 157.2 104.9 43.0 71.1 50 50 A S E -D 38 0B 5 -12,-1.6 -12,-3.2 -2,-0.3 2,-0.3 -0.966 22.2-130.4-160.1 145.1 101.5 42.2 72.6 51 51 A F E +D 37 0B 23 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.728 34.6 138.7-103.9 149.1 100.1 39.4 74.8 52 52 A T E -D 36 0B 7 -16,-2.2 -16,-2.5 -2,-0.3 5,-0.0 -0.961 54.8 -62.0-168.3 176.4 97.0 37.3 74.4 53 53 A A >> - 0 0 39 -2,-0.3 3,-1.5 -18,-0.2 4,-0.7 -0.506 49.2-117.2 -73.6 141.7 95.6 33.7 74.7 54 54 A P G >4 S+ 0 0 30 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.828 110.2 57.4 -44.4 -48.4 97.3 31.0 72.5 55 55 A E G >4 S+ 0 0 130 1,-0.2 3,-0.9 2,-0.2 6,-0.2 0.780 98.9 61.3 -59.5 -28.4 94.2 30.1 70.5 56 56 A I G <4 S+ 0 0 22 -3,-1.5 -1,-0.2 1,-0.2 41,-0.2 0.768 117.2 28.4 -71.4 -26.1 93.7 33.7 69.4 57 57 A V G << S+ 0 0 2 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 -0.112 88.5 145.2-125.5 34.1 97.1 33.8 67.6 58 58 A R X> - 0 0 67 -3,-0.9 4,-2.2 -5,-0.1 3,-0.8 -0.237 66.8 -95.1 -68.8 162.1 97.4 30.1 66.7 59 59 A P H 3> S+ 0 0 97 0, 0.0 4,-3.2 0, 0.0 5,-0.5 0.850 121.2 60.3 -46.2 -45.1 99.1 29.0 63.4 60 60 A H H 3> S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.908 111.8 39.0 -52.7 -45.4 95.8 28.8 61.5 61 61 A V H <>>S+ 0 0 0 -3,-0.8 5,-1.8 2,-0.2 4,-1.8 0.881 117.3 49.4 -73.5 -40.0 95.0 32.5 62.1 62 62 A I H <>S+ 0 0 8 -4,-2.2 5,-2.8 3,-0.2 6,-0.4 0.941 118.1 37.8 -65.4 -48.2 98.6 33.7 61.7 63 63 A E H <5S+ 0 0 101 -4,-3.2 5,-0.3 -5,-0.2 -2,-0.2 0.915 122.0 41.0 -72.3 -43.8 99.2 31.9 58.4 64 64 A K H <5S+ 0 0 88 -4,-1.9 -3,-0.2 -5,-0.5 -2,-0.2 0.809 135.8 2.6 -77.1 -29.8 95.8 32.3 56.8 65 65 A F T X5S+ 0 0 10 -4,-1.8 4,-1.2 -5,-0.2 -3,-0.2 0.761 121.4 48.6-122.1 -60.9 95.2 35.9 57.8 66 66 A V H >>< S+ 0 0 0 -4,-2.5 3,-2.2 -5,-0.2 -67,-0.4 0.900 86.1 97.7 -83.5 -46.8 101.2 42.5 57.4 71 71 A I T 3< S+ 0 0 71 -4,-1.8 -67,-0.2 -5,-0.3 3,-0.1 -0.227 98.5 10.4 -53.0 125.5 104.3 41.0 55.7 72 72 A G T 3 S+ 0 0 42 -69,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.520 104.0 119.9 84.6 8.0 105.9 43.5 53.4 73 73 A E S < S- 0 0 64 -3,-2.2 -70,-2.6 -70,-0.2 2,-0.5 -0.756 75.4-101.2-108.9 152.4 103.8 46.4 54.5 74 74 A D B > -A 2 0A 21 -2,-0.3 3,-1.9 -72,-0.2 -72,-0.2 -0.573 30.9-144.8 -68.1 117.6 104.8 49.7 56.1 75 75 A H T 3 S+ 0 0 12 -74,-2.2 -1,-0.2 -2,-0.5 37,-0.1 0.707 93.5 66.5 -60.7 -20.3 104.0 49.1 59.8 76 76 A R T 3 S+ 0 0 146 1,-0.2 2,-1.5 -75,-0.2 3,-0.3 0.598 75.6 87.3 -77.6 -12.1 102.9 52.7 60.3 77 77 A D <> + 0 0 59 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 -0.278 49.9 150.7 -83.7 51.8 99.8 52.2 58.0 78 78 A R H > + 0 0 53 -2,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.810 67.5 51.5 -53.9 -38.5 97.8 51.0 61.0 79 79 A E H > S+ 0 0 80 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.941 112.6 45.0 -67.8 -45.0 94.5 52.2 59.6 80 80 A R H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.912 116.3 46.6 -64.4 -41.3 95.0 50.5 56.2 81 81 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.891 112.5 49.0 -69.5 -38.5 96.2 47.3 57.9 82 82 A W H X S+ 0 0 6 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.935 112.1 49.0 -65.9 -44.8 93.3 47.3 60.4 83 83 A Q H X S+ 0 0 71 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.858 107.9 55.0 -63.8 -34.3 90.8 47.8 57.7 84 84 A D H X S+ 0 0 60 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.913 111.5 43.7 -64.4 -42.2 92.4 45.0 55.6 85 85 A L H >X S+ 0 0 3 -4,-1.9 3,-0.7 2,-0.2 4,-0.6 0.897 111.5 53.5 -68.3 -41.6 91.9 42.6 58.5 86 86 A A H >X S+ 0 0 16 -4,-2.6 3,-1.1 1,-0.2 4,-0.6 0.891 104.4 56.8 -60.2 -39.3 88.4 43.8 59.3 87 87 A H H 3< S+ 0 0 138 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.757 105.9 50.8 -63.7 -27.1 87.5 43.2 55.6 88 88 A W H << S+ 0 0 91 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.508 88.4 82.6 -91.3 -5.2 88.5 39.5 55.9 89 89 A Q H X<>S+ 0 0 29 -3,-1.1 3,-1.9 -4,-0.6 5,-0.5 0.936 83.5 58.3 -64.5 -47.5 86.5 38.7 59.0 90 90 A R T 3<5S+ 0 0 236 -4,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.872 113.6 37.8 -50.9 -43.8 83.2 38.1 57.3 91 91 A G T 3 5S+ 0 0 66 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.273 89.0 98.1 -95.6 15.1 84.7 35.3 55.1 92 92 A S T X 5S- 0 0 1 -3,-1.9 3,-1.8 -4,-0.2 -1,-0.2 0.261 96.0-113.9 -85.9 12.1 86.9 33.8 57.8 93 93 A A T 3 5S- 0 0 75 -3,-0.4 -2,-0.1 1,-0.3 -3,-0.1 0.869 73.5 -62.2 56.3 36.4 84.6 31.0 58.8 94 94 A A T 3 - 0 0 53 -2,-1.2 4,-2.0 -41,-0.2 3,-0.4 -0.343 44.5-109.5 -90.0 166.9 88.0 37.4 65.6 98 98 A D H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.829 120.3 61.7 -61.9 -30.1 88.0 40.9 67.1 99 99 A R H > S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 103.6 46.9 -63.2 -39.7 90.4 39.4 69.6 100 100 A T H > S+ 0 0 1 -3,-0.4 4,-2.0 1,-0.2 5,-0.2 0.916 111.3 51.7 -68.4 -41.3 92.9 38.6 66.9 101 101 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.900 107.9 54.2 -59.8 -40.4 92.5 42.1 65.4 102 102 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 187,-0.3 0.911 108.2 46.1 -62.1 -45.9 93.2 43.6 68.9 103 103 A V H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.902 114.6 47.6 -66.5 -40.7 96.5 41.8 69.5 104 104 A V H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.932 113.1 47.7 -65.3 -45.8 97.8 42.6 66.0 105 105 A D H X S+ 0 0 4 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.903 112.5 50.3 -62.2 -41.1 96.8 46.3 66.3 106 106 A C H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.912 108.8 50.3 -64.9 -42.8 98.3 46.5 69.8 107 107 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.868 109.7 52.7 -62.4 -36.2 101.6 45.0 68.6 108 108 A L H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.887 110.3 46.8 -67.2 -39.4 101.6 47.6 65.7 109 109 A W H X S+ 0 0 22 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.908 112.4 49.9 -67.9 -41.3 101.2 50.4 68.1 110 110 A D H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.896 109.4 53.0 -63.5 -38.9 103.9 49.0 70.4 111 111 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.909 110.5 45.9 -62.7 -44.3 106.2 48.7 67.4 112 112 A A H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.917 115.5 47.5 -65.7 -42.4 105.7 52.4 66.4 113 113 A G H X>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-1.3 0.924 114.3 44.3 -65.0 -46.7 106.2 53.5 70.0 114 114 A R H <5S+ 0 0 68 -4,-3.0 -1,-0.2 251,-0.3 -2,-0.2 0.899 112.3 53.7 -65.6 -39.0 109.3 51.5 70.6 115 115 A S H <5S+ 0 0 32 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.842 118.5 35.2 -63.6 -33.7 110.7 52.5 67.2 116 116 A L H <5S- 0 0 116 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.529 108.3-121.4 -97.0 -9.1 110.2 56.2 68.0 117 117 A G T <5S+ 0 0 45 -4,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.877 70.5 129.6 69.2 38.4 111.0 55.9 71.7 118 118 A Q < - 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