==== 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 HYDROLASE 10-JAN-08 3BWX . COMPND 2 MOLECULE: ALPHA/BETA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 285 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.4 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 . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 0 0 2 1 0 1 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 137 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.6 46.1 48.4 34.6 2 1 A X - 0 0 205 2,-0.0 2,-0.3 1,-0.0 0, 0.0 -0.683 360.0-143.6 -89.8 141.4 48.8 46.9 32.3 3 2 A A - 0 0 59 -2,-0.3 -1,-0.0 2,-0.2 0, 0.0 -0.748 14.7-137.4-103.5 156.6 47.7 45.5 28.9 4 3 A E S S+ 0 0 117 -2,-0.3 20,-0.5 19,-0.0 2,-0.2 0.561 86.9 44.4 -84.4 -6.6 49.1 42.5 27.1 5 4 A Y S S- 0 0 61 18,-0.2 2,-0.4 48,-0.0 18,-0.2 -0.766 71.1-129.3-130.9 169.3 49.0 44.5 23.7 6 5 A E E -A 22 0A 58 16,-2.4 16,-2.9 -2,-0.2 2,-0.5 -0.929 30.2-116.6-120.2 143.7 49.8 47.8 22.1 7 6 A D E +A 21 0A 64 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.741 40.7 177.7 -83.1 127.6 47.4 49.7 20.0 8 7 A R E -A 20 0A 125 12,-2.9 12,-2.6 -2,-0.5 2,-0.3 -0.849 11.2-157.3-132.9 162.9 48.6 50.1 16.3 9 8 A Y E -A 19 0A 91 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.954 8.7-174.6-138.0 155.8 47.2 51.6 13.1 10 9 A W E -A 18 0A 5 8,-2.2 8,-2.8 -2,-0.3 2,-0.5 -0.925 27.0-116.8-144.7 164.9 47.6 51.4 9.4 11 10 A T E -A 17 0A 74 -2,-0.3 6,-0.2 6,-0.2 82,-0.1 -0.917 17.3-137.9-110.7 131.8 46.0 53.4 6.6 12 11 A S > - 0 0 2 4,-2.5 3,-2.0 -2,-0.5 74,-0.1 -0.369 32.2-107.4 -75.3 159.9 43.6 52.1 3.9 13 12 A S T 3 S+ 0 0 91 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.848 121.1 52.7 -50.9 -42.0 44.1 53.3 0.2 14 13 A D T 3 S- 0 0 81 2,-0.0 -1,-0.3 1,-0.0 -2,-0.0 0.285 127.3 -95.7 -87.6 10.4 41.0 55.5 0.6 15 14 A G S < S+ 0 0 54 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.537 71.5 142.1 101.1 7.2 42.3 57.2 3.7 16 15 A L - 0 0 20 54,-0.1 -4,-2.5 1,-0.0 2,-0.8 -0.590 48.6-130.4 -82.0 141.8 40.8 55.4 6.8 17 16 A R E -A 11 0A 131 -2,-0.3 53,-2.4 -6,-0.2 2,-0.3 -0.841 31.3-166.5 -87.3 114.1 42.8 54.8 9.9 18 17 A L E -A 10 0A 0 -8,-2.8 -8,-2.2 -2,-0.8 2,-0.4 -0.767 7.9-134.3-108.3 151.3 42.3 51.1 10.7 19 18 A H E +A 9 0A 3 43,-0.5 43,-2.5 -2,-0.3 2,-0.3 -0.822 22.1 173.5-116.0 138.1 43.2 49.5 14.0 20 19 A F E -AB 8 61A 2 -12,-2.6 -12,-2.9 -2,-0.4 2,-0.4 -0.995 27.2-132.3-137.6 144.3 45.0 46.4 15.2 21 20 A R E -AB 7 60A 35 39,-1.9 39,-2.8 -2,-0.3 2,-0.5 -0.805 25.8-157.0 -84.4 133.9 46.1 45.1 18.6 22 21 A A E -AB 6 59A 25 -16,-2.9 -16,-2.4 -2,-0.4 2,-0.5 -0.970 7.0-165.3-118.0 127.4 49.7 44.0 18.5 23 22 A Y E - B 0 58A 6 35,-3.2 35,-2.2 -2,-0.5 -18,-0.2 -0.949 23.3-125.1-111.9 127.8 51.1 41.4 21.0 24 23 A E + 0 0 148 -2,-0.5 30,-1.8 -20,-0.5 2,-0.3 -0.328 47.4 126.1 -74.5 149.5 54.8 41.1 21.2 25 24 A G B -h 54 0B 14 28,-0.2 32,-0.2 30,-0.1 30,-0.2 -0.969 53.8 -10.6-176.0-166.3 56.5 37.8 20.8 26 25 A D > - 0 0 53 28,-1.9 3,-1.2 -2,-0.3 31,-0.5 -0.218 40.7-165.9 -56.5 111.3 59.1 35.6 19.1 27 26 A I T 3 S+ 0 0 131 1,-0.3 -1,-0.2 -2,-0.2 29,-0.0 0.563 84.5 69.8 -74.7 -9.4 60.6 37.5 16.1 28 27 A S T 3 S+ 0 0 100 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.362 96.4 58.4 -91.7 5.3 62.1 34.2 14.9 29 28 A R S < S- 0 0 101 -3,-1.2 28,-0.2 -4,-0.0 -4,-0.1 -0.955 98.9 -97.0-125.5 153.8 58.6 32.8 14.1 30 29 A P - 0 0 18 0, 0.0 27,-0.3 0, 0.0 69,-0.2 -0.278 48.5-101.4 -64.0 158.7 56.1 34.2 11.7 31 30 A P - 0 0 5 0, 0.0 69,-2.9 0, 0.0 2,-0.6 -0.369 26.5-121.4 -79.0 161.2 53.4 36.4 13.3 32 31 A V E -cd 58 100A 0 25,-2.8 27,-3.0 67,-0.2 2,-0.5 -0.907 22.0-159.8-103.5 118.5 49.9 35.2 13.9 33 32 A L E -cd 59 101A 3 67,-3.5 69,-2.8 -2,-0.6 2,-0.6 -0.894 4.5-158.9-103.1 119.5 47.2 37.3 12.2 34 33 A C E - d 0 102A 0 25,-2.8 69,-0.2 -2,-0.5 11,-0.1 -0.918 5.1-164.8-105.7 118.0 43.7 36.9 13.7 35 34 A L E - d 0 103A 2 67,-2.7 69,-2.4 -2,-0.6 72,-0.2 -0.899 11.6-143.0-110.5 116.9 40.8 37.8 11.5 36 35 A P - 0 0 11 0, 0.0 71,-0.1 0, 0.0 6,-0.1 -0.210 20.1 -96.2 -77.2 168.8 37.4 38.4 13.0 37 36 A G > - 0 0 8 69,-0.2 3,-2.0 4,-0.1 68,-0.1 -0.094 52.7 -77.8 -72.8 176.7 33.9 37.5 11.8 38 37 A L T 3 S+ 0 0 22 1,-0.3 173,-0.0 173,-0.0 67,-0.0 0.793 128.8 24.3 -49.8 -50.4 31.5 39.9 10.0 39 38 A T T 3 S+ 0 0 8 159,-0.1 -1,-0.3 2,-0.1 158,-0.2 0.182 108.9 102.9 -99.5 14.2 30.3 41.9 13.0 40 39 A R < - 0 0 45 -3,-2.0 23,-0.3 26,-0.1 2,-0.2 -0.413 46.9-164.4-113.8 169.5 33.3 41.3 15.2 41 40 A N > - 0 0 0 143,-0.3 3,-1.9 -2,-0.1 4,-0.3 -0.706 48.7 -70.6-140.1-175.9 36.5 43.0 16.4 42 41 A A G > S+ 0 0 0 1,-0.3 3,-2.0 -2,-0.2 4,-0.1 0.797 116.4 74.6 -60.6 -24.9 39.9 42.3 18.0 43 42 A R G > S+ 0 0 36 1,-0.3 3,-1.7 141,-0.3 4,-0.3 0.754 78.0 73.4 -64.3 -19.4 38.2 41.5 21.3 44 43 A D G < S+ 0 0 18 -3,-1.9 -1,-0.3 1,-0.3 4,-0.2 0.807 105.1 40.7 -61.6 -23.0 37.1 38.1 20.0 45 44 A F G <> S+ 0 0 2 -3,-2.0 4,-2.9 -4,-0.3 5,-0.3 0.203 80.1 113.4-104.1 12.3 40.7 37.2 20.3 46 45 A E H <> S+ 0 0 51 -3,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.789 87.1 32.6 -63.7 -33.8 41.5 38.9 23.6 47 46 A D H > S+ 0 0 44 -4,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.851 118.9 50.9 -86.8 -41.8 42.0 35.6 25.5 48 47 A L H > S+ 0 0 2 -4,-0.2 4,-1.5 1,-0.2 5,-0.2 0.921 108.9 52.6 -60.3 -45.4 43.6 33.5 22.7 49 48 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.894 107.6 50.9 -58.8 -40.6 46.1 36.3 21.9 50 49 A T H < S+ 0 0 49 -4,-0.5 -1,-0.2 -5,-0.3 -2,-0.2 0.820 109.9 51.1 -67.6 -31.7 47.2 36.3 25.6 51 50 A R H < S+ 0 0 121 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.752 117.7 38.4 -73.0 -27.1 47.7 32.6 25.5 52 51 A L H X S+ 0 0 17 -4,-1.5 4,-1.6 -3,-0.2 3,-0.2 0.743 91.5 111.8 -91.6 -28.8 49.8 32.8 22.3 53 52 A A B < S+i 56 0C 21 -4,-2.5 2,-1.7 1,-0.2 -28,-0.2 -0.033 79.5 17.1 -53.1 145.0 51.7 36.0 23.1 54 53 A G B 4 S+h 25 0B 42 -30,-1.8 -28,-1.9 2,-0.9 -1,-0.2 -0.475 124.6 57.7 87.8 -62.3 55.5 35.9 23.8 55 54 A D T 4 S+ 0 0 104 -2,-1.7 2,-0.3 -3,-0.2 -2,-0.2 0.824 125.3 16.6 -61.3 -30.7 55.6 32.5 22.1 56 55 A W B < S-i 53 0C 12 -4,-1.6 -2,-0.9 -32,-0.2 2,-0.4 -0.992 77.4-120.4-139.0 144.3 54.2 34.2 19.1 57 56 A R - 0 0 56 -31,-0.5 -25,-2.8 -2,-0.3 2,-0.4 -0.728 38.6-159.6 -72.7 140.6 53.8 37.8 17.8 58 57 A V E -Bc 23 32A 1 -35,-2.2 -35,-3.2 -2,-0.4 2,-0.5 -0.989 14.7-167.2-135.4 128.9 50.0 38.3 17.4 59 58 A L E -Bc 22 33A 16 -27,-3.0 -25,-2.8 -2,-0.4 -37,-0.2 -0.978 2.4-173.6-114.3 129.2 48.2 40.9 15.3 60 59 A C E -B 21 0A 0 -39,-2.8 -39,-1.9 -2,-0.5 -18,-0.2 -0.791 13.5-173.1-125.5 84.4 44.4 41.4 15.8 61 60 A P E -B 20 0A 0 0, 0.0 2,-0.4 0, 0.0 -41,-0.3 -0.436 14.4-146.2 -78.9 156.8 43.1 43.7 13.2 62 61 A E - 0 0 4 -43,-2.5 -43,-0.5 -2,-0.1 -21,-0.1 -0.974 21.1-124.8-120.4 130.2 39.6 45.2 13.0 63 62 A X > - 0 0 15 -2,-0.4 3,-2.2 -23,-0.3 6,-0.3 -0.233 45.3 -73.1 -70.4 162.4 38.0 45.9 9.6 64 63 A R T 3 S+ 0 0 0 1,-0.3 7,-0.2 13,-0.1 -1,-0.2 -0.282 123.8 25.3 -51.9 138.3 36.7 49.3 8.6 65 64 A G T 3 S+ 0 0 0 5,-2.0 134,-2.8 1,-0.2 2,-0.4 0.465 104.6 98.3 84.6 1.3 33.4 49.9 10.5 66 65 A R B X S-J 198 0D 4 -3,-2.2 3,-2.0 4,-0.3 132,-0.2 -0.968 88.2 -33.7-123.2 141.5 34.3 47.6 13.4 67 66 A G T 3 S- 0 0 7 130,-2.3 -2,-0.1 -2,-0.4 -26,-0.0 -0.287 123.8 -16.7 59.5-131.6 35.7 48.4 16.8 68 67 A D T 3 S+ 0 0 92 -49,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.397 106.4 113.1 -91.7 0.9 38.1 51.3 16.9 69 68 A S S < S- 0 0 3 -3,-2.0 -51,-0.2 -6,-0.3 -4,-0.2 -0.462 79.8 -92.8 -69.4 148.0 38.7 51.2 13.1 70 69 A D - 0 0 55 -53,-2.4 -5,-2.0 -2,-0.1 -4,-0.3 -0.240 36.5-120.0 -59.2 148.1 37.4 54.2 11.2 71 70 A Y - 0 0 108 -7,-0.2 2,-0.3 -6,-0.2 -54,-0.1 -0.632 31.8-109.8 -83.2 146.5 33.9 54.1 9.8 72 71 A A - 0 0 12 -2,-0.3 129,-0.1 1,-0.1 6,-0.1 -0.637 7.7-149.3 -82.0 136.1 33.6 54.6 6.0 73 72 A K S S+ 0 0 161 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.829 99.0 49.4 -63.9 -34.6 32.1 57.7 4.5 74 73 A D S > S- 0 0 88 1,-0.1 3,-2.5 -3,-0.0 -1,-0.2 -0.894 72.3-165.6-108.4 98.1 30.9 55.4 1.7 75 74 A P G > S+ 0 0 17 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.620 81.7 78.1 -61.3 -12.7 29.1 52.4 3.1 76 75 A X G 3 S+ 0 0 70 1,-0.2 131,-0.1 130,-0.0 -3,-0.0 0.691 82.4 69.0 -68.1 -15.1 29.3 50.7 -0.3 77 76 A T G < S+ 0 0 16 -3,-2.5 2,-1.7 1,-0.1 -1,-0.2 0.528 71.0 98.6 -77.7 -2.8 33.0 50.0 0.7 78 77 A Y < + 0 0 25 -3,-1.6 -1,-0.1 123,-0.1 3,-0.0 -0.642 61.1 111.8 -81.1 76.8 31.8 47.6 3.4 79 78 A Q S >> S- 0 0 76 -2,-1.7 4,-1.9 1,-0.1 3,-1.1 -0.986 78.9-104.9-151.5 153.3 32.4 44.5 1.2 80 79 A P H 3> S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.806 114.5 53.5 -52.1 -41.2 34.7 41.5 1.3 81 80 A X H 3> S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.796 108.6 51.7 -67.0 -26.2 37.1 42.5 -1.5 82 81 A Q H <> S+ 0 0 30 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.921 108.7 49.5 -71.1 -44.2 37.6 45.9 0.2 83 82 A Y H X S+ 0 0 5 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.898 110.0 52.5 -60.2 -39.1 38.5 44.1 3.5 84 83 A L H X S+ 0 0 21 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.940 110.3 47.5 -61.1 -47.0 40.9 41.9 1.5 85 84 A Q H X S+ 0 0 93 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.900 110.5 52.3 -59.2 -40.9 42.6 45.0 0.0 86 85 A D H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.874 109.3 49.2 -65.8 -37.7 42.8 46.6 3.4 87 86 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.882 108.3 53.2 -69.2 -39.7 44.5 43.5 4.8 88 87 A E H X S+ 0 0 60 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.905 108.8 51.7 -56.7 -38.4 47.0 43.5 1.9 89 88 A A H X S+ 0 0 17 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.902 108.8 49.6 -66.3 -41.7 47.7 47.2 2.9 90 89 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 6,-0.2 0.948 112.3 47.7 -57.5 -48.7 48.3 46.1 6.5 91 90 A L H X>S+ 0 0 5 -4,-2.7 5,-2.3 1,-0.2 4,-0.7 0.901 114.8 46.1 -62.7 -42.2 50.7 43.3 5.4 92 91 A A H ><5S+ 0 0 78 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.929 113.4 48.5 -62.2 -48.4 52.6 45.7 3.0 93 92 A Q H 3<5S+ 0 0 97 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.819 116.0 42.9 -67.6 -30.5 52.8 48.5 5.6 94 93 A E H 3<5S- 0 0 95 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.460 107.7-122.5 -93.5 -4.6 54.1 46.2 8.3 95 94 A G T <<5 + 0 0 61 -3,-0.8 2,-0.7 -4,-0.7 -3,-0.2 0.800 52.8 159.8 71.1 29.6 56.5 44.3 6.0 96 95 A I < + 0 0 25 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.780 13.2 165.1 -91.4 118.6 55.0 40.9 6.7 97 96 A E + 0 0 137 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.734 68.5 26.8-101.3 -31.2 55.8 38.3 4.0 98 97 A R S S+ 0 0 105 24,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.996 72.3 156.3-136.9 139.7 54.8 35.1 5.8 99 98 A F E - e 0 122A 1 22,-2.2 24,-2.5 -2,-0.4 25,-0.7 -0.986 42.1-110.7-159.3 157.6 52.3 34.6 8.5 100 99 A V E -de 32 124A 0 -69,-2.9 -67,-3.5 -2,-0.3 2,-0.5 -0.812 35.2-151.9 -90.6 138.2 49.9 32.2 10.3 101 100 A A E -de 33 125A 0 23,-1.9 25,-2.5 -2,-0.4 2,-0.5 -0.976 16.1-176.1-116.8 127.1 46.3 33.1 9.7 102 101 A I E -de 34 126A 0 -69,-2.8 -67,-2.7 -2,-0.5 2,-0.4 -0.972 18.2-178.4-118.0 111.0 43.4 32.3 12.2 103 102 A G E -de 35 127A 0 23,-2.5 25,-3.2 -2,-0.5 2,-0.6 -0.958 16.7-158.8-125.6 123.2 40.1 33.3 10.5 104 103 A T E > - e 0 128A 14 -69,-2.4 3,-2.3 -2,-0.4 25,-0.2 -0.888 62.1 -50.2 -98.3 122.8 36.6 33.1 12.0 105 104 A S T >> S+ 0 0 17 23,-2.0 4,-1.8 -2,-0.6 3,-1.4 -0.301 140.0 13.9 58.2-121.8 33.7 33.0 9.6 106 105 A L H 3> S+ 0 0 33 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.890 129.1 60.1 -52.8 -35.7 34.2 36.0 7.1 107 106 A G H <> S+ 0 0 0 -3,-2.3 4,-1.5 1,-0.2 -1,-0.3 0.845 101.9 51.1 -58.9 -33.8 37.7 36.1 8.5 108 107 A G H <> S+ 0 0 0 -3,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.870 108.3 51.6 -69.8 -41.9 38.2 32.5 7.3 109 108 A L H X S+ 0 0 15 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.926 110.1 49.1 -56.6 -44.9 36.9 33.5 3.9 110 109 A L H X S+ 0 0 5 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.871 106.6 56.9 -64.0 -34.5 39.5 36.4 3.9 111 110 A T H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.944 107.8 46.9 -62.9 -42.4 42.1 33.9 4.9 112 111 A X H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.939 112.4 50.3 -62.9 -39.0 41.4 31.8 1.8 113 112 A L H X S+ 0 0 24 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.906 111.0 48.0 -68.2 -40.9 41.5 35.0 -0.3 114 113 A L H >X S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 4,-0.6 0.920 111.7 50.7 -64.0 -43.4 44.8 36.0 1.1 115 114 A A H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 6,-0.2 0.899 100.8 63.9 -61.9 -38.8 46.2 32.5 0.5 116 115 A A H 3< S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.788 92.8 62.1 -55.9 -33.7 45.0 32.6 -3.1 117 116 A A H << S- 0 0 67 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.816 137.6 -22.3 -63.2 -31.7 47.4 35.5 -3.9 118 117 A N X< - 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