==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-SEP-07 2VBA . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.PAPPENBERGER,T.SCHULZ-GASCH,J.BAILLY,M.HENNIG . 1618 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1156 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 215 13.3 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 4 0.2 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 . 114 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 178 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 444 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.0 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 15 9 4 4 0 4 5 7 0 0 4 8 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 14 6 8 0 0 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 PARALLEL BRIDGES PER LADDER . 8 8 6 0 0 0 1 15 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 . 6 4 0 0 0 0 0 0 0 4 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 M 0 0 174 0, 0.0 177,-0.1 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 144.4 13.0 55.3 50.2 2 2 A K - 0 0 93 176,-0.6 2,-0.3 175,-0.2 178,-0.0 -0.375 360.0-135.3 -64.3 141.1 12.3 55.7 54.0 3 3 A R - 0 0 113 174,-0.1 240,-2.5 -2,-0.1 2,-0.4 -0.723 10.6-144.9-101.1 147.0 12.4 59.3 55.2 4 4 A A E +A 242 0A 3 253,-0.5 253,-2.7 -2,-0.3 2,-0.3 -0.933 17.7 179.5-119.3 131.5 14.2 60.4 58.5 5 5 A V E -AB 241 256A 0 236,-3.0 236,-2.8 -2,-0.4 2,-0.6 -0.865 29.8-117.6-124.8 163.0 13.0 63.1 60.8 6 6 A I E +AB 240 255A 4 249,-2.7 248,-2.8 -2,-0.3 249,-0.8 -0.911 31.8 169.5-103.4 122.2 14.3 64.6 64.1 7 7 A T E + 0 0 0 232,-2.2 245,-0.4 -2,-0.6 2,-0.3 0.354 62.1 15.2-114.8 0.6 11.8 64.2 66.9 8 8 A G E -A 239 0A 0 231,-0.6 231,-2.5 78,-0.1 2,-0.3 -0.947 57.6-165.5-168.7 154.0 13.8 65.2 69.9 9 9 A L E -A 238 0A 2 -2,-0.3 2,-0.3 72,-0.3 229,-0.2 -0.972 4.3-178.0-146.8 155.2 17.0 67.0 70.9 10 10 A G E +A 237 0A 0 227,-2.0 227,-2.4 -2,-0.3 2,-0.3 -0.978 9.4 178.7-151.7 148.0 19.2 67.5 73.9 11 11 A I E -A 236 0A 0 -2,-0.3 2,-0.4 225,-0.2 225,-0.2 -0.991 24.3-170.5-157.4 140.5 22.3 69.5 74.5 12 12 A V E +A 235 0A 1 223,-2.3 223,-2.7 -2,-0.3 2,-0.3 -0.956 39.7 154.9-130.5 110.5 24.9 70.5 77.1 13 13 A S B > -K 16 0B 1 3,-3.1 3,-1.7 -2,-0.4 40,-0.5 -0.861 61.2-100.9-134.7 168.8 27.0 73.2 75.6 14 14 A S T 3 S+ 0 0 7 219,-0.3 37,-0.2 -2,-0.3 3,-0.1 0.725 124.4 47.3 -60.9 -22.4 29.2 76.2 76.4 15 15 A I T 3 S- 0 0 7 1,-0.3 10,-0.3 35,-0.1 -1,-0.3 0.274 127.2 -11.5-108.6 12.5 26.2 78.4 75.7 16 16 A G B < -K 13 0B 6 -3,-1.7 -3,-3.1 1,-0.1 -1,-0.3 -0.681 46.3-129.6 160.9 150.7 23.6 76.5 77.6 17 17 A N S S+ 0 0 25 -5,-0.2 2,-0.3 -2,-0.2 -6,-0.2 0.347 95.5 13.0 -94.8 5.0 22.7 73.3 79.6 18 18 A N S > S- 0 0 46 -8,-0.1 4,-2.3 -5,-0.1 5,-0.2 -0.939 93.3 -87.3-166.0 174.9 19.4 72.7 77.7 19 19 A Q H > S+ 0 0 25 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.771 121.4 58.0 -71.4 -22.7 17.7 73.9 74.6 20 20 A Q H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.952 111.1 41.5 -68.5 -46.2 16.0 76.9 76.4 21 21 A E H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.901 115.2 51.2 -66.2 -41.4 19.3 78.3 77.5 22 22 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.945 109.0 51.0 -62.1 -45.1 20.9 77.5 74.1 23 23 A L H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.925 110.7 48.7 -57.4 -46.1 18.1 79.3 72.3 24 24 A A H X S+ 0 0 30 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.928 111.9 49.0 -62.0 -41.7 18.4 82.4 74.5 25 25 A S H X>S+ 0 0 6 -4,-2.5 5,-2.1 -10,-0.3 4,-1.1 0.918 110.6 50.3 -62.3 -44.1 22.2 82.5 74.0 26 26 A L H <5S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.916 112.7 46.5 -61.9 -43.1 21.8 82.1 70.2 27 27 A R H <5S+ 0 0 97 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.849 117.5 43.7 -66.6 -32.4 19.3 85.0 70.1 28 28 A E H <5S- 0 0 115 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.554 104.1-126.6 -89.9 -9.1 21.5 87.2 72.3 29 29 A G T <5 + 0 0 16 -4,-1.1 2,-0.4 -3,-0.4 -3,-0.2 0.860 47.4 175.6 61.5 38.0 24.8 86.4 70.6 30 30 A R < - 0 0 103 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.1 -0.623 26.7-129.2 -87.3 123.0 26.1 85.5 74.0 31 31 A S - 0 0 15 -2,-0.4 300,-0.2 -3,-0.1 299,-0.1 -0.438 12.8-164.0 -66.2 141.3 29.6 84.0 74.2 32 32 A G + 0 0 1 298,-3.1 19,-0.6 -2,-0.1 2,-0.4 0.233 55.3 114.2-101.0 11.6 30.2 80.8 76.1 33 33 A I E +L 50 0C 2 297,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.708 38.7 170.6 -95.1 134.2 34.0 81.4 76.2 34 34 A T E -L 49 0C 47 15,-2.7 15,-2.3 -2,-0.4 2,-0.2 -0.888 39.8 -90.7-132.3 163.6 35.8 81.9 79.5 35 35 A F E -L 48 0C 86 -2,-0.3 2,-0.6 13,-0.2 13,-0.3 -0.543 39.2-148.3 -70.2 141.8 39.4 82.2 80.9 36 36 A S > - 0 0 2 11,-3.1 4,-2.1 -2,-0.2 5,-0.1 -0.928 18.9-172.3-119.6 110.2 40.7 78.8 82.0 37 37 A Q H > S+ 0 0 92 -2,-0.6 4,-3.2 1,-0.2 5,-0.2 0.841 90.4 60.6 -64.5 -31.5 43.2 78.7 84.9 38 38 A E H > S+ 0 0 59 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.946 105.4 45.2 -61.0 -46.5 43.6 75.0 84.1 39 39 A L H 4>S+ 0 0 0 1,-0.2 5,-1.5 2,-0.2 4,-0.4 0.944 115.8 47.2 -64.2 -44.0 44.8 75.6 80.6 40 40 A K H ><5S+ 0 0 69 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.942 110.0 52.3 -60.2 -44.9 47.2 78.4 81.9 41 41 A D H 3<5S+ 0 0 86 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.783 101.4 62.5 -63.0 -29.3 48.5 76.2 84.7 42 42 A S T 3<5S- 0 0 16 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.567 120.1-105.2 -73.1 -11.1 49.3 73.4 82.3 43 43 A G T < 5S+ 0 0 21 -3,-1.9 488,-0.4 -4,-0.4 -3,-0.2 0.489 71.0 146.2 99.8 4.6 51.8 75.6 80.4 44 44 A M < - 0 0 7 -5,-1.5 -1,-0.3 2,-0.1 155,-0.1 -0.276 50.0-142.8 -72.9 160.9 49.6 76.3 77.3 45 45 A R S S+ 0 0 127 154,-0.1 2,-0.6 1,-0.0 167,-0.1 0.697 88.7 72.8 -91.0 -28.9 49.6 79.5 75.4 46 46 A S + 0 0 0 1,-0.1 163,-0.2 -7,-0.1 -2,-0.1 -0.817 56.4 173.6 -87.2 123.9 45.9 79.4 74.8 47 47 A H + 0 0 31 -2,-0.6 -11,-3.1 161,-0.2 2,-0.3 0.002 48.8 86.6-119.4 26.9 44.0 80.2 78.1 48 48 A V E +L 35 0C 0 160,-0.3 183,-0.5 -13,-0.3 2,-0.3 -0.942 46.8 166.2-131.4 150.0 40.5 80.3 76.9 49 49 A W E -L 34 0C 31 -15,-2.3 -15,-2.7 -2,-0.3 2,-1.0 -0.990 42.2-115.4-158.3 160.2 37.8 77.6 76.5 50 50 A G E -Lm 33 232C 0 181,-2.5 183,-2.2 -2,-0.3 -36,-0.2 -0.800 50.0-173.7 -99.0 89.6 34.1 76.9 75.9 51 51 A N - 0 0 36 -2,-1.0 2,-0.6 -19,-0.6 -38,-0.1 -0.518 30.6-113.3 -89.3 154.1 33.3 75.2 79.2 52 52 A V - 0 0 18 -2,-0.2 2,-1.2 2,-0.1 -38,-0.1 -0.724 25.6-152.5 -81.7 122.5 30.2 73.4 80.3 53 53 A K + 0 0 91 -2,-0.6 2,-0.3 -40,-0.5 -36,-0.1 -0.649 55.4 105.4-100.9 74.7 28.9 75.5 83.2 54 54 A L - 0 0 65 -2,-1.2 2,-0.8 -42,-0.0 -2,-0.1 -0.952 68.1-130.9-156.7 129.9 27.1 72.8 85.1 55 55 A D - 0 0 121 -2,-0.3 -2,-0.1 1,-0.1 4,-0.0 -0.763 24.1-173.1 -83.0 110.6 27.8 70.9 88.3 56 56 A T > + 0 0 42 -2,-0.8 3,-2.0 2,-0.1 4,-0.4 0.442 35.1 134.2 -87.5 1.5 27.2 67.3 87.1 57 57 A T T 3 S- 0 0 113 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.274 80.6 -1.5 -55.0 126.8 27.6 65.8 90.6 58 58 A G T 3 S+ 0 0 73 2,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.432 96.4 114.3 74.6 0.8 24.8 63.3 91.3 59 59 A L S < S+ 0 0 77 -3,-2.0 2,-0.4 1,-0.1 -2,-0.1 0.712 76.7 45.7 -74.9 -20.6 23.0 63.8 88.0 60 60 A I S S- 0 0 12 -4,-0.4 -2,-0.2 2,-0.0 -1,-0.1 -0.986 100.0-100.3-125.4 136.2 23.9 60.2 86.9 61 61 A D >> - 0 0 127 -2,-0.4 4,-2.8 1,-0.1 3,-1.6 -0.190 32.9-119.0 -55.3 142.4 23.4 57.1 89.1 62 62 A R H 3> S+ 0 0 92 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.865 111.5 52.1 -51.6 -44.4 26.7 55.9 90.7 63 63 A K H 34 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.672 116.2 41.9 -72.7 -13.7 26.6 52.5 89.0 64 64 A V H X4 S+ 0 0 37 -3,-1.6 3,-1.3 2,-0.1 -2,-0.2 0.854 114.7 46.8 -91.2 -48.4 26.2 54.1 85.6 65 65 A V H >< S+ 0 0 45 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.729 92.3 79.3 -74.8 -18.7 28.6 57.0 85.9 66 66 A R T 3< S+ 0 0 99 -4,-1.8 -1,-0.3 -5,-0.3 -3,-0.1 0.747 96.3 48.0 -60.0 -24.0 31.4 54.9 87.3 67 67 A F T < S+ 0 0 27 -3,-1.3 2,-0.3 78,-0.1 -1,-0.3 0.525 100.2 97.3 -86.2 -8.5 32.1 53.7 83.7 68 68 A M < - 0 0 7 -3,-2.0 68,-0.2 -4,-0.2 2,-0.2 -0.645 52.1-159.8-104.1 141.2 32.1 57.2 82.2 69 69 A S > - 0 0 2 66,-0.3 4,-2.2 -2,-0.3 3,-0.4 -0.488 50.8 -91.2 -89.1 178.1 34.4 59.9 81.1 70 70 A D H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.847 125.8 59.5 -64.4 -34.0 33.2 63.5 80.7 71 71 A A H > S+ 0 0 0 37,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 110.1 44.3 -58.2 -43.9 32.3 63.0 77.0 72 72 A S H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.884 110.7 53.7 -67.3 -39.5 30.0 60.2 78.0 73 73 A I H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.952 112.4 44.0 -57.8 -49.0 28.5 62.2 80.9 74 74 A Y H X S+ 0 0 26 -4,-2.8 4,-2.1 1,-0.2 161,-0.2 0.904 115.5 47.6 -66.0 -39.9 27.7 65.1 78.6 75 75 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.898 111.7 51.9 -65.3 -38.6 26.3 62.8 75.9 76 76 A F H X S+ 0 0 13 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.932 110.2 46.8 -64.6 -47.1 24.2 60.9 78.5 77 77 A L H X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.904 112.8 50.7 -61.3 -40.9 22.7 64.1 79.9 78 78 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 159,-0.2 0.889 108.8 51.8 -62.9 -39.9 21.9 65.2 76.3 79 79 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.902 106.7 52.6 -64.7 -41.2 20.3 61.8 75.6 80 80 A E H X S+ 0 0 82 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.941 111.3 47.6 -57.7 -44.7 18.0 62.1 78.7 81 81 A Q H X S+ 0 0 50 -4,-2.2 4,-2.8 1,-0.2 -72,-0.3 0.922 111.7 50.2 -61.2 -43.5 16.9 65.5 77.4 82 82 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.883 109.0 51.0 -65.6 -39.9 16.3 64.2 73.9 83 83 A I H X>S+ 0 0 15 -4,-2.5 5,-2.2 2,-0.2 4,-0.5 0.919 113.0 45.3 -61.9 -44.8 14.2 61.3 75.2 84 84 A A H ><5S+ 0 0 78 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.932 113.0 50.6 -65.9 -43.8 12.0 63.6 77.2 85 85 A D H 3<5S+ 0 0 51 -4,-2.8 167,-0.2 1,-0.3 -1,-0.2 0.863 110.2 50.6 -61.2 -36.4 11.8 66.0 74.3 86 86 A A H 3<5S- 0 0 5 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.533 109.6-124.2 -79.8 -7.2 10.7 63.1 72.0 87 87 A G T <<5 + 0 0 59 -3,-1.2 2,-0.6 -4,-0.5 -3,-0.2 0.850 53.5 159.9 69.8 32.3 8.1 61.9 74.4 88 88 A L < - 0 0 12 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.817 27.9-153.5 -97.6 116.9 9.6 58.4 74.6 89 89 A S >> - 0 0 52 -2,-0.6 4,-1.3 1,-0.1 3,-1.1 -0.397 34.1-104.8 -73.5 160.4 8.6 56.3 77.6 90 90 A P H 3> S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.905 123.8 56.5 -51.6 -39.8 11.1 53.5 78.7 91 91 A E H 34 S+ 0 0 156 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.772 103.2 55.1 -65.9 -25.4 8.7 51.0 77.1 92 92 A A H <4 S+ 0 0 40 -3,-1.1 -1,-0.2 1,-0.1 -4,-0.0 0.847 124.6 16.2 -76.3 -35.8 8.9 52.8 73.7 93 93 A Y H >< S+ 0 0 14 -4,-1.3 3,-0.6 -3,-0.4 60,-0.3 0.644 101.8 91.9-118.5 -18.3 12.7 52.7 73.3 94 94 A Q T 3< S+ 0 0 53 -4,-2.6 58,-0.2 -5,-0.3 57,-0.2 -0.539 95.7 4.5 -81.4 148.7 14.2 50.1 75.7 95 95 A N T 3 S+ 0 0 95 56,-2.8 -1,-0.2 -2,-0.2 57,-0.1 0.848 94.7 135.3 53.0 43.4 14.8 46.5 74.9 96 96 A N X - 0 0 43 -3,-0.6 3,-2.3 55,-0.5 57,-0.7 -0.952 50.9-154.8-132.0 109.2 13.8 47.2 71.3 97 97 A P T 3 S+ 0 0 60 0, 0.0 58,-0.2 0, 0.0 -1,-0.1 0.674 95.4 62.0 -59.0 -15.8 15.8 45.8 68.4 98 98 A R T 3 S+ 0 0 91 56,-0.1 85,-2.7 84,-0.1 86,-1.8 0.354 91.5 78.0 -90.5 5.3 14.5 48.6 66.2 99 99 A V E < +c 184 0A 1 -3,-2.3 55,-2.5 84,-0.2 54,-0.7 -0.973 61.6 172.0-122.8 125.6 16.1 51.3 68.3 100 100 A G E -c 185 0A 0 84,-2.4 86,-2.7 -2,-0.5 2,-0.3 -0.605 24.7-137.3-126.4-179.4 19.8 52.1 68.1 101 101 A L E +cd 186 156A 0 54,-2.5 56,-1.5 84,-0.2 2,-0.5 -0.963 15.4 175.0-148.0 123.3 22.5 54.5 69.2 102 102 A I E +cd 187 157A 0 84,-2.7 86,-1.6 -2,-0.3 2,-0.3 -0.952 26.7 141.6-130.8 106.0 25.3 56.0 67.1 103 103 A A E +c 188 0A 0 54,-1.5 40,-0.4 -2,-0.5 86,-0.3 -0.984 18.2 169.7-152.7 138.9 27.4 58.5 69.1 104 104 A G E -c 189 0A 0 84,-1.6 86,-1.9 -2,-0.3 2,-0.3 -0.721 24.1-132.6-140.8-178.5 31.0 59.3 69.3 105 105 A S - 0 0 1 34,-0.4 57,-0.2 -2,-0.2 86,-0.1 -0.963 18.9-134.5-135.7 158.1 33.8 61.5 70.4 106 106 A G S S+ 0 0 7 84,-0.4 438,-2.3 -2,-0.3 439,-0.5 0.825 103.8 18.0 -78.3 -34.6 36.8 63.0 68.6 107 107 A G S S- 0 0 9 1,-0.3 2,-0.5 436,-0.2 -1,-0.1 0.457 84.7-146.4-117.7 -7.1 39.4 62.2 71.2 108 108 A G - 0 0 7 82,-0.2 84,-0.4 31,-0.2 -1,-0.3 -0.634 68.7 -34.6 72.0-121.5 37.8 59.5 73.5 109 109 A S > + 0 0 0 28,-0.8 4,-2.6 -2,-0.5 5,-0.2 -0.666 57.0 171.2-135.3 89.6 39.3 60.4 76.9 110 110 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.903 85.4 59.9 -54.4 -37.6 42.8 61.7 76.8 111 111 A R H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.928 110.0 38.5 -58.1 -47.6 42.3 62.5 80.5 112 112 A F H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.817 111.5 57.2 -79.0 -26.0 41.6 58.8 81.4 113 113 A Q H X S+ 0 0 4 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.948 114.1 41.3 -60.8 -46.4 44.3 57.4 79.0 114 114 A V H X S+ 0 0 2 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.903 111.6 56.0 -68.8 -39.3 46.8 59.6 80.9 115 115 A F H X S+ 0 0 87 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.926 107.9 48.8 -57.7 -44.9 45.2 58.8 84.3 116 116 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.926 114.1 44.9 -62.4 -46.8 45.7 55.0 83.6 117 117 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.896 114.5 48.3 -65.9 -38.7 49.3 55.5 82.6 118 118 A D H < S+ 0 0 57 -4,-2.8 4,-0.4 2,-0.2 3,-0.3 0.942 113.6 47.8 -67.5 -44.7 50.1 57.8 85.6 119 119 A A H >< S+ 0 0 13 -4,-2.8 3,-1.4 -5,-0.3 6,-0.6 0.898 108.0 54.3 -60.9 -41.8 48.4 55.4 88.0 120 120 A M H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.3 51.7 -65.1 -29.5 50.2 52.4 86.6 121 121 A R T 3< S+ 0 0 85 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.454 101.1 82.1 -86.1 -1.0 53.6 54.2 87.2 122 122 A G S X S- 0 0 10 -3,-1.4 3,-1.1 -4,-0.4 1217,-0.2 -0.249 100.6 -84.1 -98.1-175.0 52.7 55.0 90.9 123 123 A P T 3 S+ 0 0 40 0, 0.0 1220,-0.1 0, 0.0 1216,-0.1 0.612 123.2 47.9 -71.7 -14.1 52.9 52.9 94.1 124 124 A R T > S- 0 0 70 -5,-0.3 3,-2.0 1,-0.2 4,-0.4 0.506 80.5-177.8-105.9 -6.6 49.6 51.1 93.7 125 125 A G T X> S+ 0 0 14 -3,-1.1 4,-1.6 -6,-0.6 3,-1.1 -0.154 71.2 6.4 53.3-130.2 50.0 50.0 90.0 126 126 A L H 3> S+ 0 0 25 322,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.759 127.9 61.6 -60.8 -28.3 46.9 48.2 88.8 127 127 A K H <4 S+ 0 0 87 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.837 106.0 46.2 -68.6 -32.6 45.0 48.9 92.0 128 128 A A H <4 S+ 0 0 28 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.835 110.0 54.5 -74.8 -33.9 45.3 52.7 91.3 129 129 A V H < S- 0 0 5 -4,-1.6 3,-0.4 -10,-0.2 -2,-0.2 0.964 95.1-172.1 -61.8 -48.6 44.2 52.2 87.6 130 130 A G >< - 0 0 17 -4,-2.4 3,-0.5 1,-0.2 -2,-0.1 -0.069 37.3 -72.0 74.4 175.2 41.1 50.4 88.8 131 131 A P T 3 S+ 0 0 64 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.367 115.2 66.6 -92.2 7.7 38.6 48.5 86.6 132 132 A Y T 3> + 0 0 71 -3,-0.4 4,-1.2 1,-0.1 5,-0.1 0.396 67.4 93.1-111.5 3.4 36.9 51.4 84.8 133 133 A V H <> S+ 0 0 2 -3,-0.5 4,-3.0 1,-0.2 5,-0.3 0.850 79.4 58.9 -72.3 -34.0 39.5 52.9 82.6 134 134 A V H > S+ 0 0 2 471,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.943 108.0 45.8 -59.3 -45.9 38.8 50.9 79.4 135 135 A T H 4 S+ 0 0 4 1,-0.2 -66,-0.3 -4,-0.2 -1,-0.2 0.805 118.1 44.3 -69.6 -26.5 35.2 52.2 79.2 136 136 A K H < S+ 0 0 39 -4,-1.2 -1,-0.2 -68,-0.2 -2,-0.2 0.899 122.9 34.1 -76.7 -41.5 36.4 55.7 79.9 137 137 A A H < S+ 0 0 4 -4,-3.0 -28,-0.8 -25,-0.2 -2,-0.2 0.660 89.8 103.2 -92.2 -22.9 39.4 55.7 77.5 138 138 A M S >< S- 0 0 12 -4,-2.6 3,-2.1 -5,-0.3 374,-0.2 -0.263 78.7-117.6 -71.6 155.1 38.3 53.6 74.6 139 139 A A T 3 S+ 0 0 8 372,-2.5 -34,-0.4 1,-0.3 3,-0.4 0.811 114.8 50.5 -62.5 -29.1 37.3 55.3 71.3 140 140 A S T 3> S+ 0 0 1 371,-0.5 4,-2.7 1,-0.2 3,-0.3 0.251 74.5 116.4 -93.3 15.4 33.7 53.8 71.6 141 141 A G H <> S+ 0 0 3 -3,-2.1 4,-2.8 1,-0.2 5,-0.2 0.867 71.1 54.6 -52.5 -41.5 33.2 55.0 75.2 142 142 A V H > S+ 0 0 5 -3,-0.4 4,-0.8 -4,-0.2 -1,-0.2 0.927 114.5 38.3 -64.2 -44.0 30.3 57.3 74.4 143 143 A S H >> S+ 0 0 2 -40,-0.4 4,-2.9 -3,-0.3 3,-0.7 0.947 118.1 49.4 -72.0 -44.7 28.3 54.7 72.7 144 144 A A H 3X S+ 0 0 2 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.920 110.7 49.3 -58.1 -44.9 29.2 51.9 75.1 145 145 A C H 3< S+ 0 0 4 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.655 119.1 38.1 -75.4 -14.9 28.4 54.0 78.2 146 146 A L H S+ 0 0 0 -4,-2.9 5,-2.4 -5,-0.2 4,-0.2 0.873 105.1 50.6 -63.2 -35.5 23.8 51.9 75.2 148 148 A T T ><5S+ 0 0 18 -4,-1.4 3,-1.7 -5,-0.2 -1,-0.2 0.985 113.9 38.9 -65.7 -60.8 23.9 49.9 78.4 149 149 A P T 345S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.825 117.4 50.3 -64.0 -29.1 21.9 52.1 80.8 150 150 A F T 3<5S- 0 0 12 -4,-2.1 -2,-0.2 2,-0.0 -55,-0.2 0.409 108.2-127.8 -87.8 4.9 19.4 53.1 78.1 151 151 A K T < 5 - 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