==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JAN-10 2X3E . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.OKE,L.G.CARTER,K.A.JOHNSON,H.LIU,S.A.MCMAHON,M.F.WHITE, . 642 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 16.5 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 . 2 0.3 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 . 35 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 2 0 3 3 3 0 0 3 1 0 2 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 2 4 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 . 2 4 3 0 0 0 2 4 2 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 . 6 0 0 2 0 0 0 0 0 0 1 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 3 A R 0 0 143 0, 0.0 2,-0.2 0, 0.0 166,-0.2 0.000 360.0 360.0 360.0 111.0 0.3 1.5 -3.6 2 4 A A E -A 166 0A 9 164,-2.4 164,-2.0 121,-0.1 2,-0.5 -0.600 360.0-119.9-105.3 165.4 -2.7 -0.7 -4.1 3 5 A A E -A 165 0A 3 171,-0.3 171,-2.3 162,-0.2 2,-0.5 -0.957 33.9-161.8-104.5 124.3 -3.3 -4.0 -5.9 4 6 A V E -AB 164 173A 1 160,-3.0 160,-2.1 -2,-0.5 2,-0.3 -0.916 18.0-128.4-116.5 127.1 -5.9 -3.6 -8.6 5 7 A V E +A 163 0A 7 167,-2.5 158,-0.2 -2,-0.5 3,-0.1 -0.551 39.6 156.2 -67.5 128.9 -8.0 -6.3 -10.4 6 8 A C E + 0 0 27 156,-2.9 2,-0.3 1,-0.3 318,-0.2 0.351 54.5 35.3-138.8 5.3 -7.6 -5.9 -14.1 7 9 A G E -A 162 0A 0 155,-1.0 155,-1.7 316,-0.1 2,-0.3 -0.983 51.7-169.5-162.0 147.6 -8.3 -9.3 -15.7 8 10 A L E +A 161 0A 10 316,-0.3 2,-0.3 -2,-0.3 153,-0.2 -0.998 14.9 156.7-141.1 138.4 -10.5 -12.4 -15.3 9 11 A G E -A 160 0A 8 151,-2.5 151,-3.2 -2,-0.3 2,-0.3 -0.969 10.1-177.5-152.8 164.7 -10.4 -15.8 -16.9 10 12 A S E -A 159 0A 33 -2,-0.3 2,-0.3 149,-0.3 149,-0.2 -0.982 11.6-156.5-157.5 164.8 -11.6 -19.3 -16.2 11 13 A Y E -A 158 0A 50 147,-2.5 147,-2.0 -2,-0.3 46,-0.1 -0.954 3.2-168.9-151.2 132.1 -11.7 -22.9 -17.5 12 14 A L - 0 0 43 -2,-0.3 145,-0.1 145,-0.2 32,-0.1 -0.964 33.9-109.8-115.2 136.0 -14.0 -25.8 -16.8 13 15 A P - 0 0 2 0, 0.0 31,-0.1 0, 0.0 32,-0.1 -0.296 26.4-122.5 -62.3 153.6 -13.2 -29.3 -17.9 14 16 A E S S+ 0 0 183 31,-0.1 31,-0.1 29,-0.1 2,-0.0 0.896 85.0 87.0 -66.8 -44.8 -15.3 -30.7 -20.7 15 17 A A - 0 0 59 29,-0.5 29,-2.6 30,-0.1 2,-0.4 -0.305 61.5-163.3 -64.6 137.1 -16.7 -33.8 -19.0 16 18 A V E -L 43 0B 48 27,-0.3 2,-0.6 139,-0.0 27,-0.2 -0.969 13.7-146.9-125.8 137.6 -19.9 -33.2 -16.9 17 19 A L E -L 42 0B 18 25,-3.2 25,-1.1 -2,-0.4 2,-0.1 -0.923 22.4-162.0-103.3 112.4 -21.4 -35.5 -14.2 18 20 A S E > -L 41 0B 32 -2,-0.6 4,-2.5 23,-0.2 5,-0.2 -0.462 31.5-112.3 -87.2 163.8 -25.2 -35.2 -14.3 19 21 A N H > S+ 0 0 7 21,-0.9 4,-3.1 1,-0.2 5,-0.2 0.896 119.4 55.2 -59.5 -41.6 -27.6 -36.2 -11.5 20 22 A D H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 109.3 46.5 -57.7 -46.1 -28.9 -39.0 -13.7 21 23 A M H > S+ 0 0 102 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.950 115.5 45.3 -60.9 -50.3 -25.3 -40.4 -14.2 22 24 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 6,-0.2 0.880 112.0 52.3 -62.6 -40.4 -24.6 -40.2 -10.4 23 25 A A H <>S+ 0 0 12 -4,-3.1 5,-1.7 1,-0.2 4,-0.5 0.878 111.7 46.5 -61.8 -40.5 -28.0 -41.7 -9.6 24 26 A A H <5S+ 0 0 74 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.908 113.6 48.4 -68.0 -42.5 -27.3 -44.7 -11.9 25 27 A E H <5S+ 0 0 108 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.871 123.1 30.1 -66.6 -40.4 -23.8 -45.2 -10.6 26 28 A L T <5S- 0 0 36 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.172 105.9-115.8-111.4 15.3 -24.6 -45.1 -6.9 27 29 A D T 5S+ 0 0 149 -3,-0.5 -3,-0.2 -4,-0.5 2,-0.1 0.887 77.5 113.9 51.4 46.8 -28.2 -46.5 -7.0 28 30 A T < - 0 0 39 -5,-1.7 2,-0.3 -6,-0.2 -1,-0.1 -0.329 61.7 -95.9-121.3-152.8 -29.8 -43.3 -5.7 29 31 A S > - 0 0 54 -2,-0.1 4,-1.3 1,-0.1 -9,-0.0 -0.922 15.0-122.5-137.2 157.6 -32.2 -40.7 -7.2 30 32 A D H > S+ 0 0 72 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.894 111.2 58.8 -61.8 -43.3 -32.2 -37.3 -9.0 31 33 A A H > S+ 0 0 69 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.937 103.1 50.2 -50.7 -57.3 -34.4 -35.9 -6.3 32 34 A W H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.851 110.0 51.0 -51.5 -42.8 -32.0 -36.6 -3.4 33 35 A I H X>S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 5,-0.5 0.921 116.2 38.9 -67.0 -46.7 -29.1 -35.0 -5.3 34 36 A S H X5S+ 0 0 21 -4,-2.1 4,-2.9 3,-0.2 -2,-0.2 0.957 115.1 54.2 -66.5 -52.1 -30.9 -31.7 -6.0 35 37 A S H <5S+ 0 0 87 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.916 115.4 37.1 -44.6 -58.9 -32.7 -31.6 -2.7 36 38 A R H <5S+ 0 0 71 -4,-2.2 216,-0.3 -5,-0.2 -1,-0.2 0.897 139.5 9.2 -67.1 -44.5 -29.5 -31.9 -0.6 37 39 A T H <5S- 0 0 3 -4,-1.8 214,-1.2 -5,-0.3 -3,-0.2 0.667 76.5-138.4-113.0 -24.5 -27.2 -29.7 -2.7 38 40 A G << + 0 0 21 -4,-2.9 2,-0.4 -5,-0.5 -4,-0.2 0.383 60.8 136.0 69.5 -3.5 -29.2 -28.0 -5.5 39 41 A V + 0 0 0 -6,-0.5 -1,-0.3 1,-0.2 234,-0.2 -0.637 30.5 176.9 -78.1 125.9 -26.3 -28.9 -7.7 40 42 A R + 0 0 166 233,-1.8 -21,-0.9 -2,-0.4 2,-0.3 0.689 65.3 11.0-103.2 -27.3 -27.5 -30.2 -11.1 41 43 A Q E -L 18 0B 73 232,-1.6 2,-0.3 231,-0.3 -1,-0.3 -0.996 55.5-167.7-149.5 160.4 -24.1 -30.7 -12.7 42 44 A R E -L 17 0B 0 -25,-1.1 -25,-3.2 -2,-0.3 2,-0.3 -0.996 24.9-122.4-146.8 139.4 -20.4 -30.7 -12.0 43 45 A H E -L 16 0B 26 232,-0.5 113,-2.5 -2,-0.3 2,-0.5 -0.679 24.1-149.6 -88.3 138.5 -17.4 -30.6 -14.4 44 46 A I - 0 0 42 -29,-2.6 -29,-0.5 -2,-0.3 4,-0.1 -0.937 9.3-153.6-119.9 120.7 -14.9 -33.5 -14.0 45 47 A A > + 0 0 5 -2,-0.5 3,-2.2 1,-0.2 2,-0.4 0.822 28.3 172.0 -64.7 -35.3 -11.2 -33.1 -14.7 46 48 A G T 3 S+ 0 0 47 1,-0.3 -1,-0.2 -33,-0.1 95,-0.0 -0.457 75.0 0.2 66.0-116.1 -10.6 -36.8 -15.6 47 49 A D T 3 S+ 0 0 153 -2,-0.4 -1,-0.3 2,-0.0 2,-0.2 0.594 118.0 93.8 -81.3 -9.8 -7.1 -37.1 -17.0 48 50 A L < - 0 0 48 -3,-2.2 2,-0.2 -4,-0.1 -3,-0.0 -0.590 63.3-152.6 -82.6 142.8 -6.5 -33.3 -16.5 49 51 A G > - 0 0 16 -2,-0.2 4,-1.8 -4,-0.0 5,-0.2 -0.494 36.0 -92.5-102.0 177.7 -4.9 -32.0 -13.3 50 52 A S H > S+ 0 0 0 29,-0.5 4,-2.9 1,-0.2 5,-0.2 0.878 125.2 58.0 -56.3 -39.8 -5.1 -28.7 -11.5 51 53 A G H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 105.0 49.5 -57.8 -46.6 -2.1 -27.5 -13.4 52 54 A D H > S+ 0 0 49 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.903 114.3 44.5 -58.5 -45.7 -3.8 -28.1 -16.7 53 55 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.903 112.4 52.2 -67.9 -41.6 -7.0 -26.2 -15.6 54 56 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.867 105.0 56.6 -62.0 -38.2 -5.0 -23.4 -14.1 55 57 A L H X S+ 0 0 22 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.931 109.2 44.9 -60.7 -46.6 -3.0 -23.0 -17.4 56 58 A R H X S+ 0 0 140 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.909 115.0 47.6 -65.8 -43.4 -6.2 -22.4 -19.4 57 59 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 103,-0.2 0.904 113.0 48.8 -63.2 -42.9 -7.7 -20.0 -16.9 58 60 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.877 108.6 52.0 -66.7 -41.4 -4.5 -18.0 -16.6 59 61 A S H X S+ 0 0 56 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.921 112.5 46.5 -60.4 -44.3 -4.1 -17.7 -20.4 60 62 A A H X S+ 0 0 43 -4,-1.9 4,-2.3 1,-0.2 -52,-0.2 0.882 110.7 53.1 -64.4 -39.0 -7.6 -16.4 -20.7 61 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.866 107.6 50.8 -64.4 -38.4 -7.0 -14.0 -17.7 62 64 A L H X>S+ 0 0 15 -4,-2.2 5,-1.9 2,-0.2 4,-0.9 0.883 109.9 49.9 -66.6 -41.0 -3.9 -12.5 -19.4 63 65 A A H ><5S+ 0 0 80 -4,-1.8 3,-0.6 2,-0.2 -2,-0.2 0.920 110.1 51.5 -60.5 -45.8 -5.9 -11.9 -22.6 64 66 A S H 3<5S+ 0 0 19 -4,-2.3 260,-0.5 1,-0.2 -2,-0.2 0.895 111.9 45.9 -57.0 -44.2 -8.6 -10.2 -20.5 65 67 A A H 3<5S- 0 0 21 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.630 106.2-127.5 -75.0 -15.2 -6.0 -7.9 -18.9 66 68 A G T <<5 + 0 0 65 -4,-0.9 2,-0.4 -3,-0.6 -3,-0.2 0.771 69.6 125.8 69.6 25.7 -4.3 -7.1 -22.2 67 69 A L < - 0 0 61 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 -0.905 45.6-170.8-116.2 143.4 -1.0 -8.2 -20.6 68 70 A E S S+ 0 0 164 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.498 75.7 38.3-109.0 -7.7 1.4 -10.8 -22.0 69 71 A R - 0 0 188 -7,-0.1 2,-0.3 28,-0.0 -1,-0.2 -0.994 56.2-179.9-139.4 146.1 3.7 -10.8 -18.9 70 72 A V - 0 0 10 -2,-0.3 61,-0.2 -3,-0.1 3,-0.1 -0.938 30.1-130.4-134.3 162.3 3.2 -10.7 -15.1 71 73 A D S S+ 0 0 74 59,-1.0 30,-2.1 -2,-0.3 2,-0.3 0.710 86.9 32.0 -83.4 -21.6 5.9 -10.8 -12.3 72 74 A A E -cd 101 131A 0 58,-0.7 60,-2.7 28,-0.2 2,-0.4 -0.983 54.1-164.3-144.1 143.7 4.3 -13.5 -10.2 73 75 A V E +cd 102 132A 0 28,-2.9 30,-1.2 -2,-0.3 2,-0.4 -0.958 17.1 178.5-131.7 114.4 2.1 -16.6 -10.6 74 76 A V E -cd 103 133A 0 58,-2.6 60,-2.7 -2,-0.4 2,-0.5 -0.958 12.9-157.9-120.6 130.3 0.3 -18.0 -7.5 75 77 A L E -cd 104 134A 0 28,-1.8 30,-3.1 -2,-0.4 2,-0.8 -0.951 6.1-155.3-106.2 124.5 -2.0 -21.0 -7.3 76 78 A A E +cd 105 135A 0 58,-2.8 60,-2.2 -2,-0.5 2,-0.3 -0.904 45.1 136.4 -91.1 108.5 -4.5 -21.3 -4.5 77 79 A T - 0 0 8 28,-1.9 60,-0.2 -2,-0.8 31,-0.1 -0.994 51.8-166.7-155.4 151.2 -5.0 -25.1 -4.4 78 80 A S S S+ 0 0 17 58,-0.3 59,-0.1 -2,-0.3 28,-0.1 0.170 93.4 60.0-115.0 8.2 -5.4 -28.1 -2.2 79 81 A T S S+ 0 0 18 57,-0.4 -29,-0.5 62,-0.0 -1,-0.1 -0.424 71.8 171.6-137.6 54.9 -5.0 -30.5 -5.1 80 82 A G - 0 0 23 2,-0.1 6,-0.1 -3,-0.1 4,-0.0 -0.228 45.3-113.8 -63.5 158.2 -1.6 -29.7 -6.6 81 83 A D S S+ 0 0 40 -32,-0.1 438,-0.7 2,-0.0 2,-0.2 0.800 97.3 22.2 -63.9 -31.5 -0.2 -32.0 -9.4 82 84 A F E -M 518 0C 29 3,-0.4 -2,-0.1 436,-0.2 5,-0.1 -0.790 66.8-129.9-128.3 168.5 2.6 -33.1 -7.1 83 85 A C E S+ 0 0 43 434,-2.7 -1,-0.1 1,-0.4 436,-0.1 0.800 101.4 45.3 -81.2 -37.7 3.4 -33.4 -3.4 84 86 A C E S+M 517 0C 2 433,-1.8 433,-3.1 -3,-0.1 -1,-0.4 -0.946 104.4 30.2-149.1 131.8 6.7 -31.7 -4.3 85 87 A P S S- 0 0 1 0, 0.0 -3,-0.4 0, 0.0 544,-0.1 0.501 87.9-106.8 -82.3-172.7 7.2 -29.3 -6.1 86 88 A A - 0 0 2 542,-0.3 4,-0.4 -2,-0.2 -3,-0.1 -0.267 22.2-127.7 -60.8 162.4 4.3 -26.7 -6.2 87 89 A T S > S+ 0 0 0 2,-0.1 4,-2.1 1,-0.1 3,-0.3 0.762 94.9 78.0 -85.1 -27.9 2.2 -26.6 -9.4 88 90 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.855 87.8 54.4 -56.2 -44.3 2.6 -22.8 -9.9 89 91 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 420,-0.8 0.941 110.4 46.8 -58.0 -45.3 6.1 -22.9 -11.3 90 92 A R H > S+ 0 0 69 -4,-0.4 4,-2.4 -3,-0.3 -2,-0.2 0.913 113.8 48.5 -60.3 -44.1 5.1 -25.4 -14.1 91 93 A V H X S+ 0 0 3 -4,-2.1 4,-1.2 2,-0.2 6,-0.2 0.941 110.6 50.4 -61.8 -47.3 2.0 -23.3 -14.8 92 94 A A H ><>S+ 0 0 0 -4,-3.1 5,-2.8 1,-0.2 3,-0.8 0.940 111.7 48.7 -55.1 -48.3 4.0 -20.1 -15.0 93 95 A A H ><5S+ 0 0 2 -4,-2.6 3,-1.8 4,-0.3 5,-0.4 0.907 109.1 52.0 -58.8 -44.4 6.5 -21.8 -17.4 94 96 A R H 3<5S+ 0 0 137 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.644 104.6 57.5 -71.0 -15.4 3.7 -23.1 -19.6 95 97 A L T <<5S- 0 0 23 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.347 124.8-104.4 -86.7 1.8 2.3 -19.6 -19.8 96 98 A G T < 5S+ 0 0 57 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.639 91.6 119.9 80.9 17.7 5.6 -18.4 -21.2 97 99 A L > < + 0 0 9 -5,-2.8 3,-2.0 -6,-0.2 -4,-0.3 -0.150 29.9 158.9-113.5 36.9 6.4 -16.8 -17.8 98 100 A V T 3 + 0 0 71 -5,-0.4 410,-0.2 1,-0.2 3,-0.1 -0.331 67.2 38.7 -51.0 139.0 9.6 -18.7 -16.9 99 101 A G T 3 S+ 0 0 35 408,-2.2 -1,-0.2 1,-0.4 409,-0.1 0.073 87.0 131.4 99.9 -22.0 11.5 -16.6 -14.3 100 102 A A S < S- 0 0 8 -3,-2.0 -1,-0.4 406,-0.2 2,-0.3 -0.291 70.9-102.1 -65.5 145.8 8.3 -15.5 -12.5 101 103 A L E +c 72 0A 6 -30,-2.1 -28,-2.9 404,-0.2 2,-0.3 -0.538 56.1 178.6 -55.6 125.5 7.9 -15.7 -8.7 102 104 A A E +c 73 0A 0 404,-0.3 2,-0.3 -2,-0.3 -28,-0.2 -0.971 13.9 139.2-148.3 129.5 5.7 -18.8 -8.4 103 105 A F E -c 74 0A 2 -30,-1.2 -28,-1.8 -2,-0.3 2,-0.3 -0.981 40.6-114.1-158.3 162.6 4.2 -20.7 -5.5 104 106 A D E -cE 75 432A 12 328,-1.4 328,-2.5 -2,-0.3 2,-0.4 -0.823 22.8-152.6-101.1 143.9 1.1 -22.6 -4.3 105 107 A L E -cE 76 431A 1 -30,-3.1 -28,-1.9 -2,-0.3 2,-0.6 -0.959 4.7-151.5-118.2 131.7 -1.0 -21.4 -1.3 106 108 A S E + E 0 430A 20 324,-2.4 324,-1.3 -2,-0.4 -28,-0.1 -0.913 46.1 124.4-110.1 108.3 -3.1 -23.8 0.8 107 109 A A > - 0 0 1 -2,-0.6 3,-2.2 1,-0.3 4,-0.2 -0.013 56.4-138.7-148.1 32.4 -6.2 -22.5 2.5 108 110 A A G > S- 0 0 3 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 -0.112 79.7 -4.0 52.5-132.2 -8.9 -24.9 1.2 109 111 A A G 3 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.592 137.6 56.4 -73.2 -10.3 -12.2 -23.2 0.2 110 112 A T G <> S+ 0 0 0 -3,-2.2 4,-2.4 199,-0.3 5,-0.3 0.269 76.7 107.9 -95.5 8.1 -10.8 -19.8 1.5 111 113 A G H <> S+ 0 0 1 -3,-1.8 4,-2.4 1,-0.2 -1,-0.1 0.825 73.5 51.2 -57.5 -38.9 -7.8 -20.1 -0.9 112 114 A F H > S+ 0 0 4 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 112.3 46.1 -69.9 -39.2 -8.8 -17.4 -3.4 113 115 A V H > S+ 0 0 0 2,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.938 116.9 43.5 -66.3 -48.3 -9.4 -14.8 -0.6 114 116 A Y H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.871 111.7 56.8 -60.8 -40.5 -6.1 -15.7 1.1 115 117 A G H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 5,-0.4 0.889 105.5 49.3 -56.3 -44.0 -4.5 -15.7 -2.4 116 118 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.888 111.2 50.0 -64.9 -40.1 -5.7 -12.2 -3.0 117 119 A A H X S+ 0 0 2 -4,-1.9 4,-2.0 3,-0.2 -2,-0.2 0.927 115.4 43.5 -59.9 -47.1 -4.3 -11.1 0.4 118 120 A S H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.952 121.2 36.8 -68.9 -51.4 -0.9 -12.7 -0.4 119 121 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.923 117.4 52.4 -69.0 -44.4 -0.6 -11.6 -4.0 120 122 A G H X S+ 0 0 4 -4,-2.4 4,-2.7 -5,-0.4 -1,-0.2 0.893 111.1 47.8 -54.3 -43.1 -2.1 -8.2 -3.3 121 123 A S H X S+ 0 0 3 -4,-2.0 4,-2.8 -5,-0.3 6,-0.2 0.874 107.3 55.5 -68.2 -38.7 0.4 -7.7 -0.5 122 124 A L H <>S+ 0 0 1 -4,-2.0 5,-2.4 2,-0.2 6,-0.9 0.900 112.7 43.3 -58.8 -41.3 3.3 -8.8 -2.7 123 125 A I H ><5S+ 0 0 0 -4,-2.1 3,-1.4 4,-0.2 -2,-0.2 0.941 113.9 49.6 -69.5 -48.2 2.3 -6.0 -5.1 124 126 A S H 3<5S+ 0 0 35 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.885 109.9 51.8 -58.1 -40.5 1.7 -3.4 -2.4 125 127 A A T 3<5S- 0 0 34 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.490 118.0-112.6 -76.6 -5.6 5.1 -4.1 -0.8 126 128 A G T < 5S+ 0 0 43 -3,-1.4 -3,-0.2 2,-0.3 -2,-0.1 0.626 85.1 118.8 85.3 15.9 6.8 -3.7 -4.2 127 129 A L S + 0 0 4 -2,-0.3 3,-1.8 18,-0.2 4,-0.3 -0.503 26.5 158.6-123.0 58.8 -9.8 -30.9 -8.8 139 141 A F G > + 0 0 5 16,-0.5 3,-2.2 1,-0.3 4,-0.5 0.741 61.0 77.1 -56.5 -27.5 -11.5 -32.4 -5.7 140 142 A S G > S+ 0 0 26 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.830 88.6 59.3 -54.8 -32.0 -13.2 -35.0 -7.9 141 143 A H G < S+ 0 0 69 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.743 108.2 46.6 -64.6 -21.4 -9.9 -36.9 -7.9 142 144 A T G < S+ 0 0 7 -3,-2.2 66,-2.6 -4,-0.3 -1,-0.2 0.357 88.5 108.1-105.5 0.8 -10.1 -37.0 -4.1 143 145 A L S < S- 0 0 14 -3,-0.9 66,-0.1 -4,-0.5 63,-0.0 -0.558 76.3-110.1 -86.1 145.7 -13.7 -38.2 -3.5 144 146 A D > - 0 0 54 64,-0.4 3,-1.8 -2,-0.2 7,-0.2 -0.626 25.6-138.6 -65.5 121.5 -14.7 -41.6 -2.3 145 147 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.771 102.2 49.2 -53.0 -29.4 -16.3 -43.2 -5.4 146 148 A A T 3 S+ 0 0 76 1,-0.0 2,-0.9 2,-0.0 -2,-0.0 0.448 86.1 100.9 -92.4 -2.8 -19.1 -44.7 -3.2 147 149 A D <> - 0 0 59 -3,-1.8 4,-1.7 1,-0.2 5,-0.2 -0.740 45.3-177.5 -94.0 105.4 -19.9 -41.4 -1.4 148 150 A R H > S+ 0 0 121 -2,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.825 77.0 58.7 -71.0 -32.6 -23.1 -39.9 -2.8 149 151 A S H > S+ 0 0 57 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.930 113.3 34.8 -64.5 -50.2 -23.0 -36.7 -0.6 150 152 A T H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 3,-0.5 0.884 117.5 52.7 -74.2 -39.2 -19.6 -35.4 -1.6 151 153 A R H < S+ 0 0 35 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.818 107.6 53.6 -65.9 -29.4 -19.9 -36.6 -5.2 152 154 A A H < S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.781 118.8 34.9 -69.8 -27.2 -23.2 -34.8 -5.5 153 155 A L H < S+ 0 0 11 -4,-0.8 124,-2.9 -3,-0.5 2,-0.2 0.879 100.7 76.3 -96.8 -45.5 -21.7 -31.5 -4.3 154 156 A F B < +n 277 0D 7 -4,-2.7 2,-0.2 122,-0.2 124,-0.2 -0.510 46.5 166.2 -90.5 138.6 -18.1 -31.2 -5.6 155 157 A G - 0 0 0 122,-2.3 -16,-0.5 -2,-0.2 2,-0.3 -0.801 28.2-112.7-133.0 178.3 -16.8 -30.3 -9.0 156 158 A D + 0 0 0 -113,-2.5 -113,-0.3 -2,-0.2 2,-0.3 -0.771 45.4 113.6-115.4 156.6 -13.6 -29.2 -10.7 157 159 A G E - F 0 137A 0 -20,-1.9 -20,-1.9 -2,-0.3 2,-0.3 -0.947 42.4-117.2 164.8 176.4 -12.3 -26.0 -12.3 158 160 A A E -AF 11 136A 0 -147,-2.0 -147,-2.5 -2,-0.3 2,-0.4 -0.997 16.3-175.9-142.7 138.7 -10.1 -23.0 -12.3 159 161 A G E -AF 10 135A 0 -24,-2.7 -24,-2.9 -2,-0.3 2,-0.3 -0.997 12.0-169.7-133.2 141.1 -10.6 -19.3 -12.2 160 162 A A E -AF 9 134A 0 -151,-3.2 -151,-2.5 -2,-0.4 2,-0.3 -0.958 10.1-168.0-135.0 145.8 -7.9 -16.6 -12.5 161 163 A V E -AF 8 133A 2 -28,-2.4 -28,-2.6 -2,-0.3 2,-0.5 -0.950 16.9-137.8-125.7 151.6 -7.5 -12.9 -12.0 162 164 A V E -AF 7 132A 0 -155,-1.7 -156,-2.9 -2,-0.3 -155,-1.0 -0.930 20.6-165.8-103.1 131.8 -4.7 -10.5 -13.0 163 165 A L E -AF 5 131A 0 -32,-2.8 -32,-2.4 -2,-0.5 2,-0.3 -0.922 6.0-174.8-114.3 144.3 -3.7 -7.9 -10.4 164 166 A R E -AF 4 130A 82 -160,-2.1 -160,-3.0 -2,-0.4 -34,-0.2 -0.952 35.0 -92.6-132.2 157.4 -1.5 -4.8 -11.1 165 167 A A E +A 3 0A 25 -36,-2.4 2,-0.2 -2,-0.3 -162,-0.2 -0.437 65.0 133.6 -60.8 139.1 0.0 -2.0 -9.1 166 168 A G E -A 2 0A 21 -164,-2.0 -164,-2.4 -2,-0.1 2,-0.3 -0.855 53.0 -64.3-163.1-162.7 -2.3 0.9 -8.9 167 169 A D > - 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