==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-AUG-05 2BYW . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.G.OLSEN,P.VON WETTSTEIN-KNOWLES,A.HENRIKSEN . 1624 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1174 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 217 13.4 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 . 6 0.4 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 . 5 0.3 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 . 119 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 444 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 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 7 5 4 1 3 6 6 0 0 4 8 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 13 7 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 0 16 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 . 7 3 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 0 158 0, 0.0 177,-0.1 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0-173.3 12.2 52.1 74.0 2 2 A K - 0 0 105 176,-0.7 2,-0.3 175,-0.2 175,-0.0 -0.388 360.0-126.5 -69.1 144.3 14.9 54.5 75.3 3 3 A R - 0 0 91 -2,-0.1 240,-2.9 174,-0.1 2,-0.4 -0.679 23.8-150.1 -91.3 147.8 17.4 53.1 77.8 4 4 A V E +A 242 0A 2 253,-0.5 253,-2.9 -2,-0.3 2,-0.3 -0.963 15.4 178.7-126.5 137.5 17.8 55.0 81.0 5 5 A V E -AB 241 256A 0 236,-3.1 236,-3.2 -2,-0.4 2,-0.6 -0.836 30.8-117.3-130.9 166.3 20.8 55.4 83.3 6 6 A I E +AB 240 255A 2 249,-2.6 248,-2.6 -2,-0.3 249,-0.8 -0.936 30.9 171.5-104.6 122.5 21.8 57.1 86.6 7 7 A T E + 0 0 0 232,-2.3 245,-0.4 -2,-0.6 2,-0.3 0.327 61.9 14.4-114.5 3.7 24.5 59.6 86.0 8 8 A G E -A 239 0A 0 231,-0.5 231,-2.6 78,-0.1 2,-0.3 -0.949 57.9-165.4-171.9 153.1 24.7 61.4 89.3 9 9 A L E -A 238 0A 1 -2,-0.3 2,-0.3 72,-0.2 229,-0.2 -0.985 3.9-175.4-147.3 156.9 23.6 61.0 92.9 10 10 A G E +A 237 0A 0 227,-2.1 227,-2.4 -2,-0.3 2,-0.3 -0.983 11.6 178.8-149.8 145.3 23.3 63.1 96.0 11 11 A I E -A 236 0A 0 -2,-0.3 2,-0.4 225,-0.2 225,-0.2 -0.991 23.5-173.6-157.8 144.0 22.3 62.2 99.5 12 12 A V E +A 235 0A 1 223,-2.3 223,-2.7 -2,-0.3 2,-0.2 -0.926 37.6 147.1-134.8 104.0 21.8 63.5 103.0 13 13 A S B > -K 16 0B 0 3,-3.1 3,-1.6 -2,-0.4 40,-0.5 -0.788 63.9 -90.7-134.3 178.4 21.0 60.7 105.4 14 14 A S T 3 S+ 0 0 6 219,-0.4 37,-0.2 1,-0.3 3,-0.1 0.704 125.3 45.8 -62.9 -19.8 21.5 59.5 109.0 15 15 A I T 3 S- 0 0 8 1,-0.3 10,-0.4 35,-0.1 -1,-0.3 0.263 126.0 -3.8-108.9 12.9 24.7 57.8 107.9 16 16 A G B < -K 13 0B 7 -3,-1.6 -3,-3.1 9,-0.1 -1,-0.3 -0.680 46.6-135.4 164.2 141.5 26.3 60.5 105.9 17 17 A N S S+ 0 0 31 -5,-0.2 2,-0.3 -2,-0.2 -6,-0.2 0.342 95.8 13.7 -90.9 5.5 25.9 64.0 104.4 18 18 A N S > S- 0 0 41 -8,-0.1 4,-2.4 -5,-0.1 5,-0.2 -0.947 93.4 -88.8-165.0 171.1 27.2 63.0 101.0 19 19 A Q H > S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.779 122.2 56.9 -64.8 -26.5 28.0 59.8 99.2 20 20 A Q H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.960 111.4 41.4 -67.6 -50.4 31.5 59.6 100.5 21 21 A E H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.883 116.2 50.5 -63.5 -38.6 30.3 59.6 104.1 22 22 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.925 109.0 51.3 -65.1 -44.8 27.5 57.3 103.3 23 23 A L H X S+ 0 0 33 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.934 109.8 50.0 -56.8 -47.9 29.9 54.9 101.6 24 24 A A H X S+ 0 0 58 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.891 112.2 47.8 -58.4 -42.3 32.1 54.9 104.7 25 25 A S H X>S+ 0 0 12 -4,-2.0 5,-2.6 -10,-0.4 4,-1.1 0.895 111.1 49.6 -67.0 -42.3 29.2 54.2 106.9 26 26 A L H <5S+ 0 0 0 -4,-2.7 3,-0.2 1,-0.2 -2,-0.2 0.894 111.0 49.9 -63.7 -42.3 27.9 51.3 104.8 27 27 A R H <5S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 116.6 41.4 -65.0 -35.7 31.3 49.7 104.6 28 28 A E H <5S- 0 0 124 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.563 105.8-124.8 -89.4 -10.4 31.7 49.9 108.4 29 29 A G T <5 + 0 0 15 -4,-1.1 2,-0.2 1,-0.2 -3,-0.2 0.865 48.7 176.5 66.6 33.6 28.1 48.9 109.1 30 30 A R < - 0 0 130 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.527 25.5-128.6 -76.8 136.4 27.9 52.1 111.1 31 31 A S - 0 0 15 -2,-0.2 300,-0.2 -3,-0.1 299,-0.1 -0.618 14.9-166.3 -86.4 142.5 24.6 53.1 112.7 32 32 A G + 0 0 4 298,-3.3 19,-0.5 -2,-0.3 2,-0.4 0.267 55.1 114.1-107.6 9.4 23.0 56.5 112.1 33 33 A I E +L 50 0C 2 297,-0.5 2,-0.3 17,-0.2 17,-0.2 -0.662 39.7 169.7 -87.0 132.5 20.5 56.1 114.9 34 34 A T E -L 49 0C 50 15,-2.5 15,-2.1 -2,-0.4 2,-0.2 -0.869 40.4 -85.7-135.4 168.4 20.7 58.3 118.0 35 35 A F E -L 48 0C 68 -2,-0.3 2,-0.6 13,-0.2 13,-0.3 -0.557 39.5-148.1 -74.8 137.3 18.7 59.1 121.0 36 36 A S > - 0 0 1 11,-3.7 4,-2.1 -2,-0.2 5,-0.1 -0.900 19.6-176.2-115.1 109.3 16.2 61.9 120.5 37 37 A Q H > S+ 0 0 57 -2,-0.6 4,-3.4 1,-0.2 5,-0.2 0.875 89.1 59.6 -65.4 -35.8 15.3 64.2 123.3 38 38 A E H > S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.919 106.6 44.5 -59.1 -46.0 12.8 65.8 121.1 39 39 A L H >>S+ 0 0 0 2,-0.2 5,-1.6 1,-0.2 4,-0.6 0.915 115.4 48.5 -66.4 -41.0 10.9 62.6 120.6 40 40 A K H ><5S+ 0 0 63 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.945 110.3 50.8 -63.6 -47.5 11.1 61.8 124.3 41 41 A D H 3<5S+ 0 0 107 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.790 101.6 62.9 -60.6 -28.5 9.9 65.3 125.3 42 42 A S H 3<5S- 0 0 22 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.690 119.9-107.6 -71.5 -17.0 6.9 65.0 123.0 43 43 A G T <<5 + 0 0 48 -3,-1.6 490,-0.4 -4,-0.6 -3,-0.2 0.486 69.1 147.1 103.4 5.8 5.6 62.0 125.0 44 44 A M < - 0 0 5 -5,-1.6 -1,-0.2 2,-0.1 155,-0.1 -0.242 51.0-139.2 -72.5 162.9 6.4 59.3 122.5 45 45 A R S S+ 0 0 119 154,-0.1 2,-0.6 162,-0.0 167,-0.2 0.684 90.1 73.3 -92.0 -26.0 7.4 55.8 123.5 46 46 A S + 0 0 0 1,-0.1 163,-0.2 -7,-0.1 -2,-0.1 -0.820 55.8 174.0 -91.6 124.4 10.1 55.7 120.7 47 47 A H + 0 0 27 -2,-0.6 -11,-3.7 161,-0.2 2,-0.3 0.118 50.8 81.6-117.8 20.3 13.0 57.9 121.6 48 48 A V E +L 35 0C 0 160,-0.3 183,-0.5 -13,-0.3 2,-0.3 -0.917 47.4 164.3-127.9 152.6 15.4 57.1 118.8 49 49 A W E -L 34 0C 28 -15,-2.1 -15,-2.5 -2,-0.3 2,-1.1 -0.990 43.7-112.2-159.6 162.1 15.7 58.3 115.2 50 50 A G E -Lm 33 232C 0 181,-2.4 183,-2.3 -2,-0.3 -36,-0.2 -0.773 50.6-175.5 -99.6 86.4 18.0 58.4 112.2 51 51 A N - 0 0 37 -2,-1.1 2,-0.7 -19,-0.5 -38,-0.1 -0.485 31.1-111.9 -86.8 153.2 18.7 62.1 112.2 52 52 A V - 0 0 14 -2,-0.2 2,-1.6 2,-0.1 -38,-0.2 -0.752 23.9-150.5 -83.5 117.1 20.6 64.1 109.7 53 53 A K + 0 0 84 -2,-0.7 2,-0.3 -40,-0.5 -36,-0.1 -0.617 55.9 111.6 -88.9 77.7 23.8 65.3 111.4 54 54 A L - 0 0 64 -2,-1.6 2,-1.1 -42,-0.1 -2,-0.1 -0.970 64.8-136.1-154.1 133.9 24.2 68.5 109.4 55 55 A D - 0 0 113 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.781 22.5-177.4 -90.8 97.8 23.9 72.2 110.1 56 56 A T > + 0 0 37 -2,-1.1 3,-2.4 2,-0.1 4,-0.5 0.524 36.5 130.8 -74.1 -6.0 22.0 73.4 107.1 57 57 A T T 3 S+ 0 0 107 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.264 81.9 0.3 -53.9 123.3 22.2 77.0 108.2 58 58 A G T 3 S+ 0 0 75 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.538 98.6 110.7 75.4 7.2 23.4 79.2 105.4 59 59 A L S < S+ 0 0 79 -3,-2.4 2,-0.4 1,-0.1 -2,-0.1 0.676 77.2 46.7 -85.3 -17.6 23.7 76.3 102.9 60 60 A I S S- 0 0 12 -4,-0.5 -2,-0.2 2,-0.0 -1,-0.1 -0.972 100.8 -93.6-127.3 140.3 20.8 77.6 100.8 61 61 A D >> - 0 0 71 -2,-0.4 4,-3.0 1,-0.1 3,-1.3 -0.190 33.7-125.4 -50.1 135.8 20.1 81.2 99.7 62 62 A R H 3> S+ 0 0 177 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.857 109.9 52.7 -52.1 -42.9 17.9 83.1 102.1 63 63 A K H 34 S+ 0 0 142 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.698 116.6 40.2 -69.7 -19.6 15.3 83.9 99.4 64 64 A V H X4 S+ 0 0 36 -3,-1.3 3,-1.6 2,-0.1 4,-0.2 0.886 112.5 50.2 -93.5 -50.0 15.1 80.3 98.4 65 65 A V H >< S+ 0 0 45 -4,-3.0 3,-1.5 1,-0.3 -2,-0.2 0.694 92.2 78.8 -64.6 -19.3 15.1 78.5 101.8 66 66 A R T 3< S+ 0 0 100 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.1 0.728 96.3 46.3 -63.2 -19.9 12.4 80.7 103.1 67 67 A F T < S+ 0 0 21 -3,-1.6 2,-0.3 68,-0.1 -1,-0.3 0.462 100.6 98.2 -98.2 -2.4 9.8 78.7 101.2 68 68 A M < - 0 0 5 -3,-1.5 2,-0.2 -4,-0.2 68,-0.2 -0.680 52.6-160.2-103.1 144.4 11.3 75.3 102.3 69 69 A S > - 0 0 3 -2,-0.3 4,-2.3 66,-0.3 3,-0.2 -0.484 49.4 -91.1 -97.9 174.7 10.5 72.7 105.0 70 70 A D H > S+ 0 0 39 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.847 125.6 58.7 -59.6 -36.7 13.3 70.2 106.0 71 71 A A H > S+ 0 0 0 37,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 110.6 43.4 -57.8 -46.1 12.2 67.7 103.4 72 72 A S H > S+ 0 0 0 -3,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.897 112.2 53.0 -66.1 -41.8 12.8 70.2 100.7 73 73 A I H X S+ 0 0 13 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.945 111.1 46.2 -59.2 -48.9 16.1 71.4 102.3 74 74 A Y H X S+ 0 0 25 -4,-3.1 4,-2.1 1,-0.2 161,-0.2 0.913 115.8 45.5 -60.7 -43.7 17.4 67.8 102.4 75 75 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.889 111.3 53.6 -67.1 -38.6 16.3 67.2 98.8 76 76 A F H X S+ 0 0 13 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.929 110.6 45.2 -61.4 -47.2 17.7 70.5 97.7 77 77 A L H X S+ 0 0 11 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.900 112.9 51.9 -64.3 -40.0 21.1 69.7 99.1 78 78 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.903 109.3 50.2 -63.4 -39.1 21.0 66.2 97.7 79 79 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.891 106.5 53.8 -67.8 -38.4 20.1 67.7 94.3 80 80 A E H X S+ 0 0 82 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.927 112.0 46.8 -59.6 -43.1 23.1 70.2 94.5 81 81 A Q H X S+ 0 0 46 -4,-2.1 4,-2.9 1,-0.2 -72,-0.2 0.927 112.4 48.7 -63.1 -46.3 25.3 67.1 95.1 82 82 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.862 108.8 53.5 -63.7 -37.5 23.7 65.1 92.3 83 83 A I H X>S+ 0 0 13 -4,-2.7 5,-2.3 2,-0.2 4,-0.6 0.946 114.2 41.0 -62.3 -48.3 24.1 68.0 89.8 84 84 A A H ><5S+ 0 0 74 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.924 114.5 52.4 -65.1 -44.7 27.8 68.3 90.6 85 85 A D H 3<5S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.773 108.8 50.9 -63.5 -26.2 28.3 64.6 90.7 86 86 A A H 3<5S- 0 0 4 -4,-1.6 -1,-0.3 -5,-0.2 166,-0.2 0.608 112.0-123.0 -85.7 -13.0 26.6 64.3 87.3 87 87 A G T <<5 + 0 0 56 -3,-1.1 2,-0.3 -4,-0.6 -3,-0.2 0.736 59.3 151.0 77.9 23.2 29.0 67.0 85.9 88 88 A L < - 0 0 13 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.695 28.7-162.9 -93.6 141.2 26.1 69.2 84.8 89 89 A S >> - 0 0 66 -2,-0.3 3,-2.6 1,-0.1 4,-1.3 -0.842 36.1-101.6-117.6 156.3 26.2 72.9 84.7 90 90 A P H 3> S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.828 118.6 62.4 -43.3 -44.7 23.3 75.5 84.5 91 91 A E H 34 S+ 0 0 171 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.763 110.2 43.1 -56.9 -22.9 23.7 76.0 80.8 92 92 A A H <4 S+ 0 0 45 -3,-2.6 -1,-0.2 1,-0.0 -4,-0.0 0.838 127.8 19.9 -93.4 -38.7 22.9 72.3 80.4 93 93 A Y H >< S+ 0 0 13 -4,-1.3 3,-0.7 4,-0.0 60,-0.3 0.652 102.0 88.6-109.8 -18.1 20.0 71.6 82.8 94 94 A Q T 3< S+ 0 0 44 -4,-2.5 58,-0.2 -5,-0.3 57,-0.2 -0.547 98.8 4.7 -84.5 148.7 18.5 75.0 83.5 95 95 A N T 3 S+ 0 0 90 56,-3.0 -1,-0.2 -2,-0.2 57,-0.1 0.849 95.6 136.8 48.3 41.2 15.7 76.6 81.4 96 96 A N X - 0 0 45 -3,-0.7 3,-2.5 55,-0.4 57,-0.7 -0.941 49.8-156.4-123.2 109.1 15.6 73.3 79.4 97 97 A P T 3 S+ 0 0 59 0, 0.0 58,-0.2 0, 0.0 -1,-0.1 0.683 95.3 60.8 -55.4 -18.5 12.2 71.9 78.5 98 98 A R T 3 S+ 0 0 88 56,-0.1 85,-2.9 84,-0.1 86,-1.8 0.368 92.8 76.1 -91.2 3.1 13.9 68.5 78.2 99 99 A V E < +c 184 0A 3 -3,-2.5 55,-2.3 83,-0.2 54,-0.7 -0.968 62.7 172.0-120.0 123.8 15.0 68.4 81.9 100 100 A G E -c 185 0A 0 84,-2.7 86,-2.8 -2,-0.5 2,-0.4 -0.605 25.3-134.5-123.6-175.8 12.6 67.7 84.6 101 101 A L E +cd 186 156A 0 54,-2.8 56,-1.5 84,-0.3 2,-0.4 -0.982 16.0 174.6-145.1 126.1 12.2 67.0 88.3 102 102 A I E +cd 187 157A 2 84,-2.9 86,-1.6 -2,-0.4 2,-0.3 -0.933 28.7 134.5-133.2 105.8 10.1 64.3 90.1 103 103 A A E +c 188 0A 0 54,-1.3 40,-0.5 -2,-0.4 86,-0.3 -0.986 18.8 160.1-153.8 143.1 10.6 64.3 93.8 104 104 A G E -c 189 0A 0 84,-1.5 86,-1.8 -2,-0.3 2,-0.3 -0.803 27.8-121.5-149.1-170.4 8.4 64.1 96.8 105 105 A S - 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0 0 19 -4,-2.1 3,-0.5 1,-0.2 480,-0.1 -0.047 32.1 -81.8 85.1 165.9 3.5 84.3 107.6 131 131 A P T 3 S+ 0 0 59 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.265 114.8 68.6 -91.0 13.1 3.3 83.9 103.8 132 132 A Y T 3> + 0 0 75 -3,-0.3 4,-0.9 1,-0.1 5,-0.1 0.398 68.7 90.1-112.8 4.3 5.6 80.9 103.5 133 133 A V H <> S+ 0 0 3 -3,-0.5 4,-3.2 474,-0.2 5,-0.4 0.890 79.3 60.5 -69.6 -39.0 3.6 78.1 105.1 134 134 A V H > S+ 0 0 4 473,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.934 107.4 44.0 -54.5 -51.3 1.9 76.8 102.0 135 135 A T H 4 S+ 0 0 2 -4,-0.2 -66,-0.3 1,-0.2 -1,-0.2 0.762 117.8 47.3 -66.9 -24.4 5.1 76.0 100.1 136 136 A K H < S+ 0 0 36 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.896 120.6 34.1 -82.2 -41.9 6.5 74.4 103.3 137 137 A A H < S+ 0 0 2 -4,-3.2 -28,-0.8 -25,-0.2 -2,-0.2 0.636 91.5 117.2 -87.6 -17.6 3.4 72.3 104.3 138 138 A M S >< S- 0 0 10 -4,-2.2 3,-1.9 -5,-0.4 4,-0.2 -0.202 70.8-130.5 -51.9 136.3 2.4 71.6 100.7 139 139 A A T 3 S+ 0 0 2 374,-1.9 -34,-0.5 1,-0.3 3,-0.3 0.786 111.8 47.6 -62.2 -26.6 2.5 67.9 99.7 140 140 A S T 3> S+ 0 0 1 373,-0.5 4,-2.8 1,-0.2 3,-0.4 0.215 76.5 118.6 -98.7 15.0 4.5 68.9 96.6 141 141 A G H <> S+ 0 0 2 -3,-1.9 4,-3.0 1,-0.2 5,-0.2 0.874 70.1 55.7 -46.7 -47.4 6.8 71.0 98.6 142 142 A V H > S+ 0 0 2 -3,-0.3 4,-0.6 -4,-0.2 -1,-0.2 0.913 114.6 36.9 -56.2 -47.8 9.9 69.0 97.6 143 143 A S H >> S+ 0 0 2 -40,-0.5 4,-3.0 -3,-0.4 3,-0.7 0.936 118.6 49.2 -72.6 -44.3 9.3 69.3 93.9 144 144 A A H 3X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.923 111.1 49.7 -59.4 -46.2 8.1 72.9 94.0 145 145 A C H 3< S+ 0 0 2 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.616 119.8 36.6 -70.8 -14.5 11.0 74.1 96.1 146 146 A L H S+ 0 0 0 -4,-3.0 5,-2.6 -5,-0.2 -3,-0.2 0.861 109.6 52.0 -56.8 -36.8 12.2 72.9 90.4 148 148 A T T ><5S+ 0 0 8 -4,-1.6 3,-1.6 -5,-0.3 -1,-0.2 0.986 114.1 36.8 -67.5 -59.1 11.8 76.7 91.0 149 149 A P T 345S+ 0 0 37 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.820 117.2 52.8 -65.0 -29.7 15.3 77.6 92.2 150 150 A F T 3<5S- 0 0 13 -4,-2.3 -2,-0.2 2,-0.0 -55,-0.2 0.371 109.9-125.3 -86.0 7.3 17.0 75.1 89.8 151 151 A K T < 5 - 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0 0 2 34,-0.5 57,-0.2 -2,-0.2 86,-0.2 -0.915 24.3-121.8-138.3 163.5 -4.4 65.8 97.1 513 106 B G S S+ 0 0 8 84,-0.3 -374,-1.9 -2,-0.3 -373,-0.5 0.863 107.2 10.3 -77.5 -35.9 -2.6 69.1 97.3 514 107 B G S S- 0 0 8 1,-0.3 2,-0.4 -376,-0.2 -1,-0.1 0.194 86.0-138.8-131.4 20.9 -2.0 69.1 101.0 515 108 B G S S- 0 0 3 31,-0.3 84,-0.5 82,-0.2 -1,-0.3 -0.434 71.0 -32.4 59.8-114.7 -2.9 65.7 102.3 516 109 B S > + 0 0 0 28,-0.9 4,-2.0 -2,-0.4 5,-0.2 -0.669 55.4 173.0-141.8 87.2 -4.7 66.4 105.5 517 110 B P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.885 84.3 61.3 -58.5 -35.5 -3.6 69.5 107.5 518 111 B R H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.933 109.5 37.6 -58.5 -47.7 -6.6 68.9 109.8 519 112 B F H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.774 113.1 56.8 -77.9 -22.7 -5.4 65.4 110.9 520 113 B Q H X S+ 0 0 5 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.942 113.9 41.0 -68.1 -44.9 -1.7 66.4 110.9 521 114 B V H X S+ 0 0 1 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.885 112.2 55.7 -68.2 -39.5 -2.7 69.2 113.4 522 115 B F H X S+ 0 0 88 -4,-2.3 4,-3.3 -5,-0.3 5,-0.3 0.930 107.4 49.8 -57.5 -48.2 -5.1 66.9 115.2 523 116 B G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.923 113.3 45.0 -57.3 -47.0 -2.3 64.4 115.8 524 117 B A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.881 115.1 48.5 -65.3 -40.1 0.0 67.1 117.2 525 118 B D H < S+ 0 0 55 -4,-2.8 4,-0.3 2,-0.2 -2,-0.2 0.937 114.3 44.9 -65.7 -48.3 -2.8 68.6 119.3 526 119 B A H >< S+ 0 0 14 -4,-3.3 3,-1.6 1,-0.2 6,-0.7 0.920 110.6 54.9 -61.5 -44.4 -3.7 65.2 120.7 527 120 B M H 3< S+ 0 0 5 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.844 106.9 50.8 -58.0 -36.1 -0.1 64.3 121.3 528 121 B R T 3< S+ 0 0 107 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.475 100.1 87.1 -82.8 -2.5 0.4 67.5 123.4 529 122 B G S X S- 0 0 32 -3,-1.6 3,-0.6 -4,-0.3 6,-0.1 -0.197 99.9 -87.9 -88.1-177.1 -2.6 66.7 125.5 530 123 B P T 3 S+ 0 0 145 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.605 124.5 50.2 -68.5 -12.3 -3.0 64.7 128.7 531 124 B R T > S+ 0 0 155 -5,-0.4 3,-1.7 1,-0.2 -4,-0.1 0.655 81.4 179.2 -99.7 -20.3 -3.6 61.5 126.7 532 125 B G T X> + 0 0 13 -6,-0.7 3,-1.5 -3,-0.6 4,-1.4 -0.282 69.8 5.7 58.2-133.4 -0.7 61.7 124.4 533 126 B L H 3> S+ 0 0 24 -490,-0.4 4,-1.9 1,-0.3 -1,-0.3 0.783 128.1 62.5 -52.4 -33.1 -0.4 58.7 122.0 534 127 B K H <4 S+ 0 0 158 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.840 105.0 46.7 -64.4 -32.6 -3.7 57.4 123.2 535 128 B A H <4 S+ 0 0 28 -3,-1.5 -1,-0.2 -9,-0.2 -2,-0.2 0.813 106.9 58.5 -78.2 -31.1 -5.5 60.5 122.0 536 129 B V H < S- 0 0 4 -4,-1.4 3,-0.3 -10,-0.1 -2,-0.2 0.938 92.4-162.5 -64.0 -46.5 -3.7 60.4 118.6 537 130 B G >< - 0 0 18 -4,-1.9 3,-0.5 1,-0.2 -334,-0.1 -0.013 32.9 -82.3 82.0 165.7 -5.0 56.9 117.8 538 131 B P T 3 S+ 0 0 59 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.195 114.9 68.5 -92.6 15.8 -3.6 54.5 115.1 539 132 B Y T 3> + 0 0 64 -3,-0.3 4,-0.9 2,-0.1 5,-0.1 0.434 69.1 89.6-114.0 -0.2 -5.4 56.1 112.1 540 133 B V H <> S+ 0 0 3 -3,-0.5 4,-3.0 -340,-0.2 3,-0.3 0.862 79.6 61.5 -67.0 -36.0 -3.6 59.4 111.8 541 134 B V H > S+ 0 0 2 -341,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.951 106.2 43.8 -56.2 -53.5 -0.9 58.3 109.5 542 135 B T H 4 S+ 0 0 3 1,-0.2 -66,-0.3 -4,-0.2 -1,-0.2 0.723 117.9 47.5 -65.8 -21.2 -3.2 57.2 106.6 543 136 B K H < S+ 0 0 36 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.874 119.0 36.6 -85.4 -40.3 -5.2 60.4 107.0 544 137 B A H < S+ 0 0 1 -4,-3.0 -28,-0.9 -25,-0.2 -2,-0.2 0.763 90.6 102.8 -85.3 -29.0 -2.3 62.8 107.2 545 138 B M S >< S- 0 0 12 -4,-2.7 3,-1.7 -5,-0.3 -438,-0.2 -0.181 78.3-121.1 -59.1 149.8 0.1 61.3 104.7 546 139 B A T 3 S+ 0 0 3 -440,-2.0 -34,-0.5 1,-0.3 3,-0.4 0.764 112.5 53.3 -62.7 -26.0 0.4 62.9 101.2 547 140 B S T 3> S+ 0 0 1 -441,-0.6 4,-3.0 1,-0.2 3,-0.4 0.256 73.0 114.6 -93.9 12.5 -0.6 59.6 99.6 548 141 B G H <> S+ 0 0 3 -3,-1.7 4,-3.0 1,-0.2 5,-0.2 0.882 71.9 55.3 -48.7 -45.7 -3.8 59.2 101.7 549 142 B V H 4 S+ 0 0 0 -3,-0.4 4,-0.5 -4,-0.2 -1,-0.2 0.909 115.1 36.1 -58.5 -45.0 -6.0 59.6 98.7 550 143 B S H >> S+ 0 0 2 -40,-0.4 4,-3.0 -3,-0.4 3,-0.7 0.928 119.0 49.7 -75.8 -41.9 -4.5 56.8 96.6 551 144 B A H 3X S+ 0 0 2 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.916 110.1 49.9 -61.2 -45.6 -3.8 54.5 99.6 552 145 B C H 3< S+ 0 0 2 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.601 119.8 37.0 -71.4 -12.3 -7.3 54.8 101.0 553 146 B L H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.5 6,-0.2 0.793 110.2 55.4-105.2 -44.2 -8.9 54.0 97.7 554 147 B A H <>S+ 0 0 0 -4,-3.0 5,-2.8 1,-0.2 -3,-0.2 0.871 108.7 51.9 -59.2 -36.6 -6.5 51.4 96.1 555 148 B T T ><5S+ 0 0 12 -4,-1.5 3,-1.3 -5,-0.3 -1,-0.2 0.979 114.5 36.7 -67.4 -57.6 -6.9 49.2 99.2 556 149 B P T 345S+ 0 0 33 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.856 116.4 53.5 -65.8 -34.0 -10.7 49.0 99.5 557 150 B F T 3<5S- 0 0 12 -4,-2.4 -2,-0.2 2,-0.0 -55,-0.2 0.394 110.2-124.2 -81.7 7.2 -11.3 48.9 95.7 558 151 B K T < 5 - 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0 0 1 34,-0.5 57,-0.2 -2,-0.2 86,-0.2 -0.917 25.0-120.4-140.0 163.4 33.4 77.1 140.3 1327 106 D G S S+ 0 0 6 84,-0.3 -374,-1.9 -2,-0.3 -373,-0.6 0.842 108.3 10.1 -77.5 -33.2 36.4 75.7 142.1 1328 107 D G S S- 0 0 6 1,-0.3 2,-0.4 -376,-0.2 -1,-0.2 0.169 87.0-137.2-134.1 22.9 39.0 76.9 139.6 1329 108 D G S S- 0 0 2 31,-0.3 84,-0.4 1,-0.2 -1,-0.3 -0.430 73.0 -30.7 59.1-112.8 37.2 79.3 137.3 1330 109 D S > + 0 0 0 28,-0.8 4,-2.0 -2,-0.4 5,-0.2 -0.706 56.0 174.9-141.6 87.9 38.6 78.3 133.9 1331 110 D P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.907 84.7 60.5 -56.7 -39.0 42.2 76.9 133.9 1332 111 D R H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.922 109.7 37.9 -55.9 -49.6 41.7 76.2 130.2 1333 112 D F H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.760 112.0 58.0 -77.9 -21.1 41.1 79.8 129.3 1334 113 D Q H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.943 113.8 40.2 -68.4 -44.8 43.6 81.2 131.7 1335 114 D V H X S+ 0 0 1 -4,-2.9 4,-2.9 -5,-0.2 -2,-0.2 0.896 112.6 56.4 -67.6 -40.1 46.2 79.0 129.9 1336 115 D F H X S+ 0 0 86 -4,-2.4 4,-3.1 -5,-0.3 5,-0.3 0.918 106.0 50.7 -57.4 -46.4 44.7 79.9 126.5 1337 116 D G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.923 113.3 44.2 -59.2 -45.8 45.1 83.6 127.2 1338 117 D A H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.880 114.7 49.4 -66.8 -39.2 48.8 83.2 128.1 1339 118 D D H < S+ 0 0 54 -4,-2.9 4,-0.3 2,-0.2 3,-0.2 0.944 114.0 45.1 -64.6 -48.0 49.4 80.8 125.2 1340 119 D A H >< S+ 0 0 13 -4,-3.1 3,-1.3 1,-0.2 6,-0.5 0.887 109.8 55.2 -63.2 -40.9 47.7 83.2 122.7 1341 120 D M H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.839 107.9 49.5 -61.5 -33.4 49.6 86.2 124.2 1342 121 D R T 3< S+ 0 0 111 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.450 101.8 86.0 -86.3 -0.2 52.9 84.4 123.6 1343 122 D G S X S- 0 0 30 -3,-1.3 3,-1.0 -4,-0.3 6,-0.1 -0.272 99.6 -87.5 -92.2-178.2 52.0 83.6 120.0 1344 123 D P T 3 S+ 0 0 137 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.628 124.3 48.5 -65.8 -16.2 52.3 85.7 116.8 1345 124 D R T > S+ 0 0 145 -5,-0.3 3,-2.2 1,-0.2 4,-0.3 0.533 81.5 179.0-101.9 -8.0 48.9 87.4 117.2 1346 125 D G T X> S+ 0 0 13 -3,-1.0 4,-1.6 -6,-0.5 3,-1.1 -0.127 71.2 7.6 46.5-126.8 49.4 88.5 120.8 1347 126 D L H 3> S+ 0 0 26 -490,-0.3 4,-2.1 1,-0.3 -1,-0.3 0.765 128.4 61.1 -55.1 -30.4 46.4 90.4 122.1 1348 127 D K H <4 S+ 0 0 140 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.868 105.7 46.7 -66.5 -35.9 44.5 89.7 118.9 1349 128 D A H <4 S+ 0 0 24 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.848 108.1 56.6 -73.3 -35.5 44.6 86.0 119.6 1350 129 D V H < S- 0 0 5 -4,-1.6 3,-0.4 -10,-0.2 -2,-0.2 0.950 93.6-167.4 -61.5 -47.8 43.6 86.5 123.2 1351 130 D G >< - 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