==== 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 2VB7 . 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) . 48044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1154 71.3 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 . 216 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 . 115 7.1 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 . 440 27.2 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 16 8 4 4 0 4 4 8 0 0 4 8 2 2 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 7 7 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 0 176 0, 0.0 177,-0.1 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 141.9 13.2 55.1 50.2 2 2 A K - 0 0 93 176,-0.7 2,-0.3 175,-0.2 178,-0.0 -0.338 360.0-133.7 -63.9 143.7 12.4 55.5 53.9 3 3 A R - 0 0 116 174,-0.1 240,-2.5 175,-0.0 2,-0.4 -0.740 11.4-145.2-103.7 147.2 12.5 59.1 55.2 4 4 A A E +A 242 0A 3 253,-0.5 253,-2.7 -2,-0.3 2,-0.3 -0.932 17.2 179.0-118.5 132.4 14.2 60.3 58.4 5 5 A V E -AB 241 256A 0 236,-3.1 236,-3.1 -2,-0.4 2,-0.6 -0.878 29.4-118.6-126.2 161.1 13.1 63.0 60.8 6 6 A I E +AB 240 255A 3 249,-2.8 248,-2.7 -2,-0.3 249,-0.8 -0.893 32.4 167.3-101.3 125.6 14.3 64.5 64.0 7 7 A T E + 0 0 0 232,-2.2 245,-0.4 -2,-0.6 2,-0.3 0.327 61.5 20.0-122.5 2.7 11.8 64.1 66.9 8 8 A G E -A 239 0A 0 231,-0.6 231,-2.3 78,-0.1 2,-0.3 -0.950 57.7-167.1-168.1 149.3 13.9 65.0 70.0 9 9 A L E -A 238 0A 2 -2,-0.3 2,-0.3 72,-0.3 229,-0.2 -0.988 4.4-178.7-144.6 158.9 17.0 66.9 71.0 10 10 A G E +A 237 0A 0 227,-2.0 227,-2.5 -2,-0.3 2,-0.3 -0.989 9.1 177.9-154.8 145.0 19.2 67.3 74.0 11 11 A I E -A 236 0A 0 -2,-0.3 2,-0.4 225,-0.2 225,-0.2 -0.990 25.1-171.6-158.6 138.3 22.3 69.4 74.6 12 12 A V E +A 235 0A 1 223,-2.1 223,-2.8 -2,-0.3 2,-0.3 -0.960 39.8 156.7-128.1 111.0 24.9 70.3 77.2 13 13 A S B > -K 16 0B 1 3,-2.9 3,-1.6 -2,-0.4 40,-0.5 -0.832 60.5-102.9-134.9 165.6 27.0 73.2 75.6 14 14 A S T 3 S+ 0 0 6 219,-0.3 37,-0.2 -2,-0.3 3,-0.1 0.687 124.7 47.6 -61.7 -20.5 29.3 76.1 76.5 15 15 A I T 3 S- 0 0 8 1,-0.3 10,-0.3 35,-0.1 -1,-0.3 0.253 126.8 -9.9-106.2 10.7 26.2 78.3 75.7 16 16 A G B < -K 13 0B 7 -3,-1.6 -3,-2.9 9,-0.1 -1,-0.3 -0.691 45.6-131.8 159.9 147.4 23.6 76.3 77.7 17 17 A N S S+ 0 0 27 -5,-0.2 2,-0.3 -2,-0.2 -6,-0.2 0.330 94.7 12.8 -96.9 3.8 22.7 73.2 79.6 18 18 A N S > S- 0 0 46 -8,-0.1 4,-2.2 -5,-0.1 5,-0.2 -0.948 92.8 -86.9-163.7 177.6 19.5 72.6 77.8 19 19 A Q H > S+ 0 0 25 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.803 121.5 57.0 -70.5 -25.1 17.6 73.8 74.7 20 20 A Q H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 110.9 42.3 -68.1 -46.3 16.0 76.7 76.5 21 21 A E H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.887 115.0 51.2 -64.9 -39.7 19.4 78.2 77.6 22 22 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.943 108.9 50.4 -63.1 -45.9 20.9 77.5 74.2 23 23 A L H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.924 111.4 49.2 -59.6 -43.6 18.0 79.2 72.3 24 24 A A H X S+ 0 0 30 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.923 112.2 47.6 -62.3 -42.8 18.4 82.3 74.6 25 25 A S H X>S+ 0 0 6 -4,-2.4 5,-1.9 -10,-0.3 4,-1.2 0.910 110.7 51.9 -63.9 -42.1 22.2 82.4 74.0 26 26 A L H <5S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.2 -2,-0.2 0.913 112.4 45.2 -60.4 -43.7 21.8 82.0 70.2 27 27 A R H <5S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.824 117.2 45.1 -70.1 -31.4 19.3 84.9 70.1 28 28 A E H <5S- 0 0 116 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.571 102.5-126.4 -89.3 -9.8 21.4 87.1 72.4 29 29 A G T <5 + 0 0 17 -4,-1.2 2,-0.4 -3,-0.4 -3,-0.2 0.812 47.8 174.5 64.2 34.5 24.8 86.4 70.7 30 30 A R < - 0 0 104 -5,-1.9 -1,-0.2 -6,-0.2 2,-0.1 -0.587 27.1-129.1 -84.5 125.0 26.1 85.4 74.1 31 31 A S - 0 0 14 -2,-0.4 300,-0.2 -3,-0.1 299,-0.1 -0.452 12.8-163.8 -68.8 140.5 29.7 84.0 74.3 32 32 A G + 0 0 1 298,-3.1 19,-0.6 -2,-0.1 2,-0.4 0.241 55.8 114.2-100.0 9.2 30.3 80.7 76.1 33 33 A I E +L 50 0C 3 297,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.678 38.2 169.0 -93.9 133.4 34.0 81.3 76.3 34 34 A T E -L 49 0C 47 15,-2.6 15,-2.3 -2,-0.4 2,-0.2 -0.883 40.3 -89.8-133.3 164.5 35.9 81.9 79.6 35 35 A F E -L 48 0C 84 -2,-0.3 2,-0.6 13,-0.2 13,-0.3 -0.561 38.9-147.1 -70.6 141.2 39.4 82.1 81.0 36 36 A S > - 0 0 1 11,-3.1 4,-2.0 -2,-0.2 5,-0.1 -0.925 20.0-174.0-117.4 110.6 40.8 78.7 82.1 37 37 A Q H > S+ 0 0 94 -2,-0.6 4,-3.1 1,-0.2 5,-0.2 0.860 90.5 60.7 -64.8 -33.4 43.3 78.6 85.0 38 38 A E H > S+ 0 0 58 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.945 106.1 44.6 -56.0 -50.6 43.6 74.9 84.2 39 39 A L H 4>S+ 0 0 0 1,-0.2 5,-1.5 2,-0.2 4,-0.4 0.940 115.3 47.8 -61.8 -42.9 44.9 75.6 80.7 40 40 A K H ><5S+ 0 0 70 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.939 110.2 51.7 -61.7 -47.3 47.3 78.3 82.0 41 41 A D H 3<5S+ 0 0 88 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 101.4 62.5 -60.0 -31.4 48.6 76.1 84.8 42 42 A S T 3<5S- 0 0 16 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.593 120.2-105.6 -71.2 -12.5 49.4 73.3 82.3 43 43 A G T < 5S+ 0 0 20 -3,-1.7 488,-0.4 -4,-0.4 -3,-0.2 0.471 70.0 147.3 96.5 6.3 51.9 75.6 80.4 44 44 A M < - 0 0 6 -5,-1.5 -1,-0.3 2,-0.1 155,-0.1 -0.289 50.0-142.7 -70.4 157.2 49.7 76.3 77.4 45 45 A R S S+ 0 0 125 154,-0.1 2,-0.5 1,-0.0 167,-0.2 0.682 89.3 72.4 -87.9 -27.1 49.7 79.5 75.4 46 46 A S + 0 0 0 -7,-0.1 163,-0.2 1,-0.1 -2,-0.1 -0.839 56.2 173.7 -90.3 122.2 45.9 79.3 74.9 47 47 A H + 0 0 31 -2,-0.5 -11,-3.1 161,-0.1 2,-0.3 0.003 48.7 87.2-118.3 26.3 44.1 80.1 78.2 48 48 A V E +L 35 0C 0 160,-0.3 183,-0.5 -13,-0.3 2,-0.3 -0.935 46.6 166.0-129.9 149.3 40.5 80.2 77.0 49 49 A W E -L 34 0C 31 -15,-2.3 -15,-2.6 -2,-0.3 2,-1.0 -0.989 42.1-115.1-156.5 161.3 37.8 77.5 76.5 50 50 A G E -Lm 33 232C 0 181,-2.4 183,-2.1 -2,-0.3 2,-0.2 -0.821 49.7-173.7 -99.0 88.5 34.2 76.8 76.0 51 51 A N - 0 0 35 -2,-1.0 2,-0.5 -19,-0.6 -38,-0.1 -0.556 30.7-114.0 -89.6 153.9 33.4 75.1 79.2 52 52 A V - 0 0 18 -2,-0.2 2,-1.2 2,-0.1 -38,-0.2 -0.728 25.6-152.5 -82.4 122.0 30.3 73.3 80.4 53 53 A K + 0 0 92 -2,-0.5 2,-0.3 -40,-0.5 -36,-0.1 -0.673 55.9 104.1-101.6 77.5 28.9 75.5 83.3 54 54 A L - 0 0 67 -2,-1.2 2,-0.9 -42,-0.0 -2,-0.1 -0.942 68.2-130.6-160.7 129.2 27.1 72.7 85.2 55 55 A D - 0 0 117 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.772 22.7-172.9 -84.8 110.1 27.8 70.8 88.4 56 56 A T > + 0 0 39 -2,-0.9 3,-2.1 2,-0.1 4,-0.4 0.476 34.4 136.3 -85.6 -0.3 27.3 67.2 87.2 57 57 A T T 3 S- 0 0 114 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.223 80.4 -3.7 -50.4 123.3 27.6 65.7 90.7 58 58 A G T 3 S+ 0 0 71 2,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.485 95.4 116.9 72.0 6.0 24.9 63.1 91.4 59 59 A L S < S+ 0 0 80 -3,-2.1 2,-0.4 1,-0.1 -2,-0.1 0.723 76.4 44.1 -75.0 -21.7 23.1 63.6 88.1 60 60 A I S S- 0 0 12 -4,-0.4 -2,-0.2 2,-0.0 -1,-0.1 -0.981 101.5 -97.2-125.7 139.1 23.8 60.0 87.0 61 61 A D >> - 0 0 129 -2,-0.4 4,-2.8 1,-0.1 3,-1.8 -0.198 33.2-118.8 -57.4 139.5 23.5 56.9 89.2 62 62 A R H 3> S+ 0 0 98 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.842 111.8 52.1 -47.3 -45.3 26.8 55.8 90.9 63 63 A K H 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.680 116.2 40.7 -71.8 -17.3 26.8 52.3 89.2 64 64 A V H X4 S+ 0 0 39 -3,-1.8 3,-1.2 2,-0.1 -2,-0.2 0.833 114.3 49.3 -92.7 -44.2 26.3 53.9 85.7 65 65 A V H >< S+ 0 0 45 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.718 91.5 78.7 -73.9 -21.6 28.6 56.9 86.0 66 66 A R T 3< S+ 0 0 98 -4,-1.6 -1,-0.2 -5,-0.3 -3,-0.1 0.746 96.2 47.9 -58.1 -22.1 31.5 54.7 87.4 67 67 A F T < S+ 0 0 29 -3,-1.2 2,-0.3 78,-0.1 -1,-0.3 0.541 99.4 98.2 -91.5 -6.3 32.2 53.6 83.8 68 68 A M < - 0 0 7 -3,-1.7 68,-0.2 -4,-0.2 2,-0.2 -0.634 52.1-159.8-102.9 140.9 32.1 57.1 82.3 69 69 A S > - 0 0 3 -2,-0.3 4,-2.2 66,-0.3 3,-0.5 -0.489 50.2 -90.7 -92.3 177.0 34.5 59.8 81.2 70 70 A D H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.861 126.0 58.7 -62.5 -35.9 33.2 63.4 80.8 71 71 A A H > S+ 0 0 0 37,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 109.8 43.9 -56.5 -44.2 32.4 62.9 77.1 72 72 A S H > S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.863 110.5 55.2 -70.5 -39.5 30.0 60.1 78.1 73 73 A I H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.966 111.6 44.0 -54.8 -50.3 28.6 62.1 81.0 74 74 A Y H X S+ 0 0 26 -4,-2.8 4,-2.2 1,-0.2 161,-0.2 0.903 115.5 47.0 -65.2 -41.3 27.7 65.0 78.6 75 75 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.891 111.2 52.9 -65.6 -39.9 26.3 62.7 75.9 76 76 A F H X S+ 0 0 14 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.941 110.5 45.7 -64.3 -47.6 24.3 60.8 78.6 77 77 A L H X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.897 112.9 51.3 -61.0 -41.2 22.7 64.0 80.0 78 78 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 159,-0.2 0.902 108.9 51.6 -62.3 -39.6 21.9 65.1 76.4 79 79 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.908 106.8 52.4 -65.1 -42.7 20.3 61.7 75.7 80 80 A E H X S+ 0 0 84 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.938 111.9 47.3 -54.8 -48.4 18.1 62.0 78.8 81 81 A Q H X S+ 0 0 50 -4,-2.2 4,-2.5 1,-0.2 -72,-0.3 0.920 112.2 49.4 -58.1 -45.3 17.0 65.4 77.5 82 82 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.886 109.1 52.2 -65.8 -37.8 16.4 64.0 74.0 83 83 A I H <>S+ 0 0 15 -4,-2.7 5,-2.2 2,-0.2 4,-0.5 0.933 112.3 44.7 -62.3 -47.6 14.3 61.1 75.3 84 84 A A H ><5S+ 0 0 80 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.910 113.3 51.8 -61.7 -42.1 12.1 63.4 77.3 85 85 A D H 3<5S+ 0 0 55 -4,-2.5 167,-0.2 1,-0.3 -2,-0.2 0.861 109.7 48.5 -64.5 -37.2 11.8 65.8 74.3 86 86 A A T 3<5S- 0 0 5 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.522 109.9-125.3 -80.2 -6.3 10.8 63.0 72.0 87 87 A G T < 5 + 0 0 58 -3,-1.0 2,-0.6 -4,-0.5 -3,-0.2 0.873 52.1 161.1 63.6 38.1 8.2 61.8 74.5 88 88 A L < - 0 0 12 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.835 27.7-152.0 -98.9 117.4 9.6 58.3 74.6 89 89 A S >> - 0 0 53 -2,-0.6 4,-1.3 1,-0.1 3,-1.0 -0.400 33.2-105.3 -73.7 159.6 8.7 56.1 77.6 90 90 A P H >> S+ 0 0 62 0, 0.0 4,-2.8 0, 0.0 3,-0.5 0.910 124.5 56.0 -50.1 -42.7 11.1 53.3 78.7 91 91 A E H 34 S+ 0 0 160 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.780 103.9 55.7 -61.1 -28.6 8.7 50.8 77.1 92 92 A A H <4 S+ 0 0 38 -3,-1.0 -1,-0.2 1,-0.1 -4,-0.0 0.836 124.8 14.5 -73.8 -35.7 9.0 52.7 73.8 93 93 A Y H X< S+ 0 0 14 -4,-1.3 3,-0.6 -3,-0.5 60,-0.3 0.625 102.1 91.6-119.7 -19.4 12.8 52.5 73.3 94 94 A Q T 3< S+ 0 0 54 -4,-2.8 58,-0.2 -5,-0.3 57,-0.2 -0.510 95.6 6.2 -82.9 151.2 14.3 50.0 75.8 95 95 A N T 3 S+ 0 0 96 56,-2.5 -1,-0.2 1,-0.2 57,-0.1 0.865 95.0 136.5 48.6 44.3 14.9 46.3 74.9 96 96 A N X - 0 0 41 -3,-0.6 3,-2.2 55,-0.5 57,-0.7 -0.945 49.7-156.9-129.8 108.9 13.9 47.1 71.3 97 97 A P T 3 S+ 0 0 61 0, 0.0 58,-0.2 0, 0.0 -1,-0.1 0.647 95.0 60.8 -59.4 -17.3 15.9 45.6 68.4 98 98 A R T 3 S+ 0 0 91 56,-0.1 85,-2.8 84,-0.1 86,-1.8 0.324 92.3 78.9 -90.7 5.3 14.6 48.5 66.2 99 99 A V E < +c 184 0A 1 -3,-2.2 55,-2.5 84,-0.2 54,-0.6 -0.974 61.2 171.4-123.5 123.2 16.1 51.2 68.3 100 100 A G E -c 185 0A 0 84,-2.5 86,-2.7 -2,-0.5 2,-0.3 -0.608 25.4-137.1-125.2-176.7 19.8 52.0 68.1 101 101 A L E +cd 186 156A 0 54,-2.2 56,-1.4 84,-0.2 2,-0.4 -0.974 15.1 174.7-148.8 123.0 22.6 54.4 69.2 102 102 A I E +cd 187 157A 0 84,-2.7 86,-1.7 -2,-0.3 2,-0.3 -0.938 27.1 141.7-131.4 107.0 25.4 55.9 67.1 103 103 A A E +c 188 0A 0 54,-1.4 40,-0.5 -2,-0.4 86,-0.3 -0.989 17.9 169.1-152.1 140.8 27.4 58.4 69.1 104 104 A G E -c 189 0A 0 84,-1.7 86,-1.9 -2,-0.3 2,-0.3 -0.732 24.1-132.2-143.0-177.1 31.1 59.2 69.3 105 105 A S - 0 0 1 34,-0.4 57,-0.2 -2,-0.2 86,-0.1 -0.957 18.3-134.8-137.8 155.5 33.9 61.5 70.4 106 106 A G S S+ 0 0 7 84,-0.3 438,-2.1 -2,-0.3 439,-0.5 0.874 104.6 18.3 -76.0 -39.0 36.9 63.0 68.6 107 107 A G S S- 0 0 8 1,-0.3 2,-0.6 436,-0.2 -1,-0.1 0.534 84.6-148.5-110.5 -10.8 39.4 62.2 71.3 108 108 A G - 0 0 7 82,-0.2 84,-0.4 31,-0.2 -1,-0.3 -0.692 68.6 -35.2 76.3-120.2 37.9 59.6 73.5 109 109 A S > + 0 0 0 28,-0.7 4,-2.4 -2,-0.6 5,-0.2 -0.658 57.4 170.7-136.8 88.3 39.4 60.4 76.9 110 110 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.893 84.8 60.6 -52.7 -39.6 42.9 61.6 76.9 111 111 A R H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.928 110.2 38.4 -56.6 -47.6 42.4 62.4 80.6 112 112 A F H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.811 111.2 57.3 -78.7 -25.6 41.7 58.8 81.4 113 113 A Q H X S+ 0 0 5 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.925 114.6 41.4 -59.3 -45.3 44.4 57.4 79.0 114 114 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.901 110.8 55.7 -70.7 -42.7 46.8 59.5 81.0 115 115 A F H X S+ 0 0 87 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.926 107.5 50.7 -53.2 -48.4 45.3 58.6 84.3 116 116 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.923 113.4 43.6 -56.9 -49.3 45.8 54.9 83.6 117 117 A A H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.868 115.3 48.3 -67.6 -38.5 49.5 55.4 82.7 118 118 A D H < S+ 0 0 54 -4,-2.7 3,-0.2 2,-0.2 4,-0.2 0.923 113.3 48.1 -67.0 -48.0 50.2 57.7 85.6 119 119 A A H >< S+ 0 0 13 -4,-3.0 3,-1.6 -5,-0.2 6,-0.5 0.911 108.7 54.1 -56.7 -43.9 48.5 55.3 88.1 120 120 A M H 3< S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.839 106.6 52.3 -63.4 -30.8 50.4 52.3 86.7 121 121 A R T 3< S+ 0 0 86 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.385 100.8 81.2 -87.1 -1.1 53.7 54.1 87.3 122 122 A G S X S- 0 0 10 -3,-1.6 3,-1.0 -4,-0.2 1217,-0.2 -0.288 100.2 -82.3-100.5-171.7 52.9 54.9 90.9 123 123 A P T 3 S+ 0 0 40 0, 0.0 1220,-0.1 0, 0.0 1216,-0.1 0.600 123.5 46.1 -74.4 -11.6 53.1 52.8 94.1 124 124 A R T > S- 0 0 68 -5,-0.3 3,-2.1 1,-0.2 4,-0.3 0.466 80.6-178.3-110.3 -5.9 49.8 51.0 93.7 125 125 A G T X> S+ 0 0 13 -3,-1.0 4,-1.5 -6,-0.5 3,-1.2 -0.113 71.8 9.2 51.2-126.1 50.1 49.9 90.1 126 126 A L H 3> S+ 0 0 26 322,-0.3 4,-2.5 1,-0.3 -1,-0.3 0.772 127.1 60.9 -58.6 -28.6 47.1 48.1 88.8 127 127 A K H <4 S+ 0 0 86 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.832 106.1 46.7 -70.7 -30.9 45.1 48.8 92.0 128 128 A A H <4 S+ 0 0 29 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.828 110.3 53.4 -75.1 -32.7 45.4 52.6 91.3 129 129 A V H < S- 0 0 5 -4,-1.5 3,-0.4 -10,-0.2 -2,-0.2 0.962 95.3-173.3 -66.3 -50.0 44.4 52.1 87.7 130 130 A G >< - 0 0 17 -4,-2.5 3,-0.5 1,-0.2 -2,-0.1 -0.072 38.8 -70.6 77.0 175.5 41.3 50.2 88.8 131 131 A P T 3 S+ 0 0 66 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.354 116.1 66.5 -89.8 3.3 38.7 48.3 86.7 132 132 A Y T 3> + 0 0 71 -3,-0.4 4,-1.2 1,-0.1 5,-0.1 0.396 68.6 92.0-107.7 0.6 37.0 51.3 85.0 133 133 A V H <> S+ 0 0 3 -3,-0.5 4,-3.1 1,-0.2 5,-0.3 0.881 79.2 58.7 -69.8 -38.0 39.7 52.8 82.7 134 134 A V H > S+ 0 0 2 471,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.921 108.0 46.2 -57.4 -44.9 39.0 50.8 79.5 135 135 A T H 4 S+ 0 0 4 1,-0.2 -66,-0.3 -4,-0.2 -1,-0.2 0.798 117.6 44.1 -71.1 -26.7 35.4 52.1 79.3 136 136 A K H < S+ 0 0 38 -4,-1.2 -2,-0.2 -68,-0.2 -1,-0.2 0.890 123.1 35.0 -77.4 -40.8 36.5 55.6 80.0 137 137 A A H < S+ 0 0 5 -4,-3.1 -28,-0.7 -25,-0.2 -2,-0.2 0.695 90.0 101.5 -92.6 -23.7 39.5 55.6 77.7 138 138 A M S >< S- 0 0 12 -4,-2.7 3,-1.9 -5,-0.3 374,-0.2 -0.272 79.3-116.9 -69.4 154.5 38.4 53.4 74.7 139 139 A A T 3 S+ 0 0 7 372,-2.5 -34,-0.4 1,-0.3 3,-0.4 0.787 114.1 51.5 -63.1 -25.7 37.4 55.2 71.5 140 140 A S T 3> S+ 0 0 1 371,-0.5 4,-2.9 1,-0.2 3,-0.3 0.220 73.3 118.1 -96.6 13.1 33.8 53.8 71.7 141 141 A G H <> S+ 0 0 3 -3,-1.9 4,-3.0 1,-0.2 5,-0.2 0.870 70.9 54.0 -47.1 -46.7 33.3 54.9 75.3 142 142 A V H > S+ 0 0 4 -3,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.929 114.8 38.6 -62.2 -43.8 30.4 57.2 74.4 143 143 A S H >> S+ 0 0 2 -40,-0.5 4,-2.8 -3,-0.3 3,-0.7 0.946 118.0 49.4 -70.6 -47.5 28.4 54.5 72.7 144 144 A A H 3X S+ 0 0 2 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.931 110.9 49.3 -55.9 -47.0 29.3 51.8 75.2 145 145 A C H 3< S+ 0 0 4 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.611 119.6 37.1 -73.4 -14.9 28.5 53.9 78.3 146 146 A L H S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.2 4,-0.2 0.882 106.3 51.9 -59.5 -36.9 23.8 51.8 75.1 148 148 A T T ><5S+ 0 0 14 -4,-1.4 3,-1.4 -5,-0.3 -1,-0.2 0.981 113.8 36.6 -66.8 -60.4 24.0 49.7 78.3 149 149 A P T 345S+ 0 0 28 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.827 117.6 52.1 -66.3 -29.3 22.0 51.9 80.8 150 150 A F T 3<5S- 0 0 12 -4,-2.2 -2,-0.2 2,-0.0 -3,-0.1 0.421 109.0-127.4 -83.8 2.4 19.5 53.0 78.1 151 151 A K T < 5 - 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