==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUN-06 2IV7 . COMPND 2 MOLECULE: LIPOPOLYSACCHARIDE CORE BIOSYNTHESIS PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.MARTINEZ-FLEITES,M.PROCTOR,S.ROBERTS,D.N.BOLAM, . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 27 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 1 1 0 2 2 1 3 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 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 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 2 A I 0 0 68 0, 0.0 80,-2.1 0, 0.0 81,-1.3 0.000 360.0 360.0 360.0 119.2 14.4 10.0 -37.9 2 3 A V E -ab 33 82A 7 30,-3.1 32,-2.5 79,-0.2 2,-0.4 -0.960 360.0-155.7-112.9 116.0 11.3 11.4 -36.1 3 4 A A E -ab 34 83A 0 79,-2.7 81,-3.3 -2,-0.6 2,-0.4 -0.792 4.9-160.6 -92.5 131.9 12.1 13.3 -32.9 4 5 A F E -ab 35 84A 0 30,-3.2 32,-2.7 -2,-0.4 2,-0.5 -0.933 3.1-162.4-112.5 134.7 9.4 13.6 -30.2 5 6 A C E +ab 36 85A 2 79,-2.7 81,-2.9 -2,-0.4 82,-0.6 -0.973 23.2 147.4-121.1 120.2 9.4 16.2 -27.5 6 7 A L - 0 0 0 30,-1.7 32,-0.4 -2,-0.5 3,-0.1 -0.981 43.6-132.8-142.3 144.0 7.4 16.1 -24.3 7 8 A Y S S+ 0 0 21 -2,-0.3 31,-2.7 1,-0.2 32,-0.8 0.903 87.3 13.0 -63.5 -41.8 8.6 17.5 -21.0 8 9 A K E -g 39 0B 81 30,-0.2 2,-0.5 29,-0.2 -1,-0.2 -0.994 61.1-156.7-141.8 129.5 7.7 14.5 -18.9 9 10 A Y E +g 40 0B 17 30,-3.0 32,-2.5 -2,-0.4 28,-0.0 -0.928 28.8 144.1-101.8 132.7 6.8 10.9 -19.6 10 11 A F > - 0 0 35 -2,-0.5 3,-0.7 30,-0.2 32,-0.1 -0.948 52.4-116.2-154.1 158.4 4.8 8.8 -17.1 11 12 A P T 3 S+ 0 0 26 0, 0.0 31,-0.1 0, 0.0 249,-0.0 0.633 99.9 64.4 -75.2 -9.3 2.1 6.2 -17.7 12 13 A F T 3 S+ 0 0 45 4,-0.0 191,-0.5 191,-0.0 2,-0.3 -0.054 81.6 86.6-112.7 32.3 -0.9 7.9 -16.0 13 14 A G <> - 0 0 12 -3,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.969 68.3-134.9-132.0 146.0 -1.5 11.0 -18.2 14 15 A G H > S+ 0 0 36 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.915 107.0 51.2 -65.3 -48.0 -3.5 11.5 -21.4 15 16 A L H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.934 114.0 47.1 -51.2 -46.5 -0.8 13.6 -23.2 16 17 A Q H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.881 112.0 47.8 -67.3 -41.0 1.6 10.8 -22.4 17 18 A R H X S+ 0 0 49 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.864 112.3 49.2 -71.4 -35.4 -0.6 7.9 -23.4 18 19 A D H X S+ 0 0 10 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.944 112.4 49.6 -64.4 -46.4 -1.5 9.7 -26.7 19 20 A F H X S+ 0 0 0 -4,-2.6 4,-3.3 -5,-0.3 5,-0.4 0.934 109.1 52.1 -56.6 -48.1 2.2 10.2 -27.3 20 21 A X H X S+ 0 0 24 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.926 112.9 43.2 -59.4 -45.2 3.1 6.6 -26.6 21 22 A R H X S+ 0 0 31 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.906 116.9 46.6 -68.3 -40.0 0.5 5.3 -29.1 22 23 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.936 114.9 45.8 -67.7 -47.8 1.4 7.8 -31.8 23 24 A A H X S+ 0 0 0 -4,-3.3 4,-2.6 -5,-0.2 -2,-0.2 0.896 112.3 51.4 -63.5 -38.1 5.2 7.3 -31.4 24 25 A S H X S+ 0 0 43 -4,-2.3 4,-2.2 -5,-0.4 -1,-0.2 0.876 109.5 50.6 -65.9 -36.7 4.8 3.5 -31.4 25 26 A T H X S+ 0 0 22 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.923 110.9 48.7 -67.4 -43.6 2.7 3.7 -34.5 26 27 A V H ><>S+ 0 0 0 -4,-2.4 5,-1.4 1,-0.2 3,-0.7 0.918 112.5 47.8 -60.6 -44.7 5.4 5.8 -36.2 27 28 A A H ><5S+ 0 0 21 -4,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.894 106.5 57.6 -62.5 -39.6 8.2 3.4 -35.1 28 29 A A H 3<5S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.706 97.1 63.2 -68.2 -20.5 6.1 0.4 -36.4 29 30 A R T <<5S- 0 0 87 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.389 127.4 -99.6 -80.8 -0.6 6.1 2.0 -39.8 30 31 A G T < 5S+ 0 0 70 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.521 80.1 132.0 96.5 7.6 9.9 1.6 -39.8 31 32 A H < - 0 0 76 -5,-1.4 2,-0.6 1,-0.0 -1,-0.3 -0.633 62.5-111.7 -87.5 152.0 11.0 5.1 -38.8 32 33 A H - 0 0 80 -2,-0.2 -30,-3.1 16,-0.0 2,-0.6 -0.752 31.8-151.3 -84.0 119.2 13.5 5.8 -36.1 33 34 A V E -a 2 0A 2 -2,-0.6 16,-2.8 14,-0.3 2,-0.4 -0.827 12.9-173.8 -98.0 122.3 11.9 7.3 -33.1 34 35 A R E -ac 3 49A 13 -32,-2.5 -30,-3.2 -2,-0.6 2,-0.5 -0.952 7.0-161.5-110.5 133.8 13.9 9.6 -30.9 35 36 A V E -ac 4 50A 0 14,-3.3 16,-3.3 -2,-0.4 2,-0.5 -0.974 6.4-166.6-120.5 126.8 12.4 10.9 -27.6 36 37 A Y E +ac 5 51A 0 -32,-2.7 -30,-1.7 -2,-0.5 2,-0.3 -0.953 24.2 154.4-105.8 124.9 13.6 13.9 -25.7 37 38 A T E - c 0 52A 1 14,-2.2 16,-3.0 -2,-0.5 -30,-0.2 -0.983 49.2-134.2-145.6 157.1 12.2 14.3 -22.2 38 39 A Q S S+ 0 0 23 -31,-2.7 2,-0.3 -32,-0.4 -30,-0.2 0.815 96.1 2.5 -76.4 -30.9 13.1 15.8 -18.8 39 40 A S E -g 8 0B 29 -32,-0.8 -30,-3.0 -3,-0.1 2,-0.4 -0.986 60.5-157.7-156.6 147.0 12.1 12.6 -17.1 40 41 A W E -g 9 0B 45 -2,-0.3 2,-0.5 -32,-0.2 -30,-0.2 -0.975 9.7-174.5-131.4 116.1 10.7 9.2 -18.0 41 42 A E + 0 0 83 -32,-2.5 2,-0.1 -2,-0.4 -2,-0.0 -0.937 53.6 9.4-109.3 132.1 8.8 7.1 -15.5 42 43 A G S S- 0 0 50 -2,-0.5 -33,-0.0 -32,-0.1 -2,-0.0 -0.381 103.6 -16.7 99.0-177.3 7.8 3.5 -16.4 43 44 A D - 0 0 154 -2,-0.1 -2,-0.1 1,-0.0 -33,-0.0 -0.283 54.5-156.2 -64.5 142.9 8.6 1.1 -19.2 44 45 A C - 0 0 49 -4,-0.1 6,-0.1 4,-0.0 -2,-0.1 -0.995 26.8-108.3-121.6 127.1 10.1 2.5 -22.5 45 46 A P > - 0 0 41 0, 0.0 3,-1.1 0, 0.0 0, 0.0 -0.247 24.7-130.9 -49.0 133.1 9.8 0.6 -25.8 46 47 A K T 3 S+ 0 0 215 1,-0.3 -3,-0.0 3,-0.1 -2,-0.0 0.806 104.0 62.5 -62.6 -28.9 13.1 -0.9 -26.8 47 48 A A T 3 S+ 0 0 69 2,-0.1 -14,-0.3 -15,-0.0 -1,-0.3 0.784 86.4 91.7 -65.0 -31.3 12.8 0.6 -30.3 48 49 A F S < S- 0 0 16 -3,-1.1 2,-0.9 -16,-0.1 -14,-0.2 -0.433 72.7-137.7 -72.7 137.9 12.8 4.2 -29.0 49 50 A E E -c 34 0A 67 -16,-2.8 -14,-3.3 -2,-0.2 2,-0.5 -0.853 29.0-160.5 -87.6 105.9 16.0 6.2 -28.6 50 51 A L E -c 35 0A 66 -2,-0.9 2,-0.5 -16,-0.2 -14,-0.2 -0.807 11.5-173.2 -97.5 123.1 15.4 7.9 -25.3 51 52 A I E -c 36 0A 23 -16,-3.3 -14,-2.2 -2,-0.5 2,-0.5 -0.967 13.7-149.6-116.5 116.9 17.3 11.0 -24.4 52 53 A Q E -c 37 0A 73 -2,-0.5 -14,-0.2 -16,-0.2 -13,-0.1 -0.763 16.9-142.5 -84.6 123.8 17.0 12.4 -20.9 53 54 A V - 0 0 4 -16,-3.0 2,-0.2 -2,-0.5 14,-0.1 -0.797 13.1-131.7 -93.4 120.3 17.5 16.2 -21.1 54 55 A P + 0 0 82 0, 0.0 2,-0.3 0, 0.0 16,-0.1 -0.496 32.1 170.5 -77.5 136.7 19.4 17.6 -18.1 55 56 A V - 0 0 45 -2,-0.2 8,-0.1 -17,-0.1 9,-0.0 -0.941 20.9-179.3-139.0 157.7 17.9 20.7 -16.4 56 57 A K + 0 0 176 -2,-0.3 7,-0.1 6,-0.1 -1,-0.1 0.468 39.0 122.0-139.7 -5.0 18.6 22.6 -13.2 57 58 A S - 0 0 30 5,-0.1 6,-0.1 1,-0.1 -2,-0.1 -0.188 59.7-133.1 -58.5 154.7 16.2 25.5 -12.9 58 59 A H S S+ 0 0 179 4,-0.0 2,-0.3 5,-0.0 -1,-0.1 0.478 83.9 64.5 -90.9 -1.3 14.0 25.6 -9.8 59 60 A T S > S- 0 0 55 1,-0.1 4,-2.2 60,-0.0 5,-0.2 -0.856 81.3-125.7-118.7 153.9 10.8 26.4 -11.6 60 61 A N H > S+ 0 0 82 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.944 114.3 48.0 -58.3 -48.6 8.8 24.3 -14.1 61 62 A H H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 111.0 50.3 -64.1 -38.6 8.9 27.2 -16.6 62 63 A G H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 111.6 48.8 -64.0 -40.8 12.7 27.7 -16.2 63 64 A R H X S+ 0 0 63 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.882 108.7 53.5 -64.8 -40.4 13.2 23.9 -16.7 64 65 A N H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.902 108.7 48.9 -63.3 -41.1 11.1 24.0 -19.8 65 66 A A H X S+ 0 0 38 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.926 111.9 49.0 -62.8 -44.7 13.1 26.8 -21.3 66 67 A E H X S+ 0 0 65 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.896 110.4 51.8 -57.8 -42.4 16.4 24.9 -20.5 67 68 A Y H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.932 108.1 50.5 -61.1 -49.4 14.9 21.8 -22.1 68 69 A Y H X S+ 0 0 68 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.933 113.6 45.7 -55.1 -48.3 14.0 23.7 -25.3 69 70 A A H X S+ 0 0 45 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.909 112.7 49.1 -64.7 -43.0 17.6 25.2 -25.6 70 71 A W H X S+ 0 0 87 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.931 111.3 49.3 -62.6 -45.7 19.3 21.8 -24.8 71 72 A V H X S+ 0 0 6 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.882 107.6 55.3 -64.4 -37.2 17.2 20.0 -27.4 72 73 A Q H X S+ 0 0 70 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.933 110.1 46.2 -59.6 -45.0 18.0 22.7 -30.0 73 74 A N H X S+ 0 0 106 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.892 112.5 49.7 -65.0 -39.2 21.7 22.2 -29.5 74 75 A H H X S+ 0 0 35 -4,-2.3 4,-2.1 1,-0.2 3,-0.3 0.932 110.5 50.0 -66.7 -43.0 21.3 18.4 -29.7 75 76 A L H < S+ 0 0 19 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.829 104.1 60.6 -62.2 -34.1 19.3 18.6 -32.9 76 77 A K H < S+ 0 0 154 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.904 115.8 31.9 -58.7 -43.3 22.0 20.9 -34.3 77 78 A E H < S+ 0 0 128 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.713 132.9 33.3 -85.1 -23.8 24.6 18.1 -33.9 78 79 A H S < S- 0 0 95 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.674 87.2-156.2-136.0 75.1 22.2 15.2 -34.5 79 80 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.128 2.6-153.4 -63.6 151.0 19.5 16.4 -37.0 80 81 A A - 0 0 26 1,-0.1 -78,-0.2 -5,-0.1 3,-0.1 -0.839 19.5-132.6-115.6 158.2 16.1 14.8 -37.3 81 82 A D S S+ 0 0 125 -80,-2.1 2,-0.3 -2,-0.3 -79,-0.2 0.795 92.7 10.4 -78.7 -30.7 13.8 14.7 -40.3 82 83 A R E -b 2 0A 56 -81,-1.3 -79,-2.7 2,-0.0 2,-0.5 -0.988 63.9-149.3-148.3 145.1 10.8 15.9 -38.3 83 84 A V E -b 3 0A 14 -2,-0.3 10,-2.5 -81,-0.2 11,-1.8 -0.975 16.8-173.2-118.8 119.7 10.3 17.3 -34.9 84 85 A V E -bd 4 94A 0 -81,-3.3 -79,-2.7 -2,-0.5 2,-0.4 -0.950 5.0-162.3-117.8 122.7 7.0 16.6 -33.1 85 86 A G E -bd 5 95A 0 9,-2.8 11,-2.6 -2,-0.5 -79,-0.2 -0.860 23.9-173.9-109.4 143.2 6.0 18.2 -29.8 86 87 A F S S+ 0 0 0 -81,-2.9 12,-0.3 -2,-0.4 2,-0.3 0.321 83.7 53.4-106.3 0.7 3.4 17.2 -27.3 87 88 A N S S- 0 0 20 -82,-0.6 2,-0.4 10,-0.1 9,-0.1 -0.955 99.4 -99.8-128.2 151.1 4.1 20.4 -25.4 88 89 A K + 0 0 26 -2,-0.3 39,-0.2 7,-0.1 38,-0.1 -0.565 64.1 125.7 -74.8 124.9 4.1 24.0 -26.8 89 90 A X > - 0 0 4 -2,-0.4 3,-0.6 38,-0.1 -4,-0.1 -0.962 59.6 -81.4-166.5 163.4 7.5 25.3 -27.6 90 91 A P T 3 S+ 0 0 26 0, 0.0 40,-0.1 0, 0.0 36,-0.0 -0.321 100.1 41.9 -69.0 159.3 9.5 26.8 -30.5 91 92 A G T 3 S+ 0 0 45 1,-0.3 2,-0.3 38,-0.2 -8,-0.1 0.457 74.5 140.7 94.7 3.0 11.0 24.7 -33.2 92 93 A L < - 0 0 5 -3,-0.6 -1,-0.3 1,-0.1 -8,-0.2 -0.601 38.8-167.3 -85.5 140.6 8.3 22.1 -33.8 93 94 A D S S+ 0 0 58 -10,-2.5 45,-2.6 1,-0.3 2,-0.3 0.759 87.0 17.2 -85.0 -32.8 7.3 20.8 -37.2 94 95 A V E -de 84 138A 1 -11,-1.8 -9,-2.8 43,-0.2 2,-0.4 -0.993 69.1-163.1-139.3 141.2 4.1 19.3 -35.7 95 96 A Y E -de 85 139A 0 43,-2.7 45,-3.1 -2,-0.3 2,-0.6 -0.991 10.3-148.9-126.0 135.9 2.3 20.0 -32.4 96 97 A F E - e 0 140A 0 -11,-2.6 2,-1.8 -2,-0.4 3,-0.2 -0.930 19.0-137.5-102.6 118.9 -0.2 17.7 -30.7 97 98 A A + 0 0 0 43,-2.9 45,-0.3 -2,-0.6 -11,-0.1 -0.480 45.6 147.8 -82.0 78.8 -2.7 19.8 -28.7 98 99 A A + 0 0 19 -2,-1.8 183,-0.2 -12,-0.3 2,-0.2 0.680 61.2 60.0 -79.7 -17.8 -3.1 17.9 -25.5 99 100 A D S S- 0 0 68 -3,-0.2 3,-0.1 1,-0.1 2,-0.0 -0.630 88.1 -99.6-111.2 164.6 -3.7 21.1 -23.5 100 101 A V - 0 0 31 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.317 53.0 -83.2 -73.8 164.3 -6.1 24.0 -23.4 101 102 A C > - 0 0 1 1,-0.2 4,-2.0 -4,-0.1 -1,-0.1 -0.628 39.5-157.7 -69.0 116.5 -5.4 27.3 -25.0 102 103 A Y H > S+ 0 0 25 -2,-0.6 4,-2.8 2,-0.2 5,-0.2 0.876 88.6 56.3 -66.2 -41.9 -3.4 29.1 -22.3 103 104 A A H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 111.1 45.3 -59.8 -38.2 -4.1 32.6 -23.6 104 105 A E H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.910 110.6 52.6 -72.2 -42.1 -7.9 31.9 -23.3 105 106 A K H X S+ 0 0 39 -4,-2.0 4,-2.5 1,-0.2 5,-0.4 0.945 113.6 44.2 -57.3 -49.4 -7.5 30.3 -19.9 106 107 A V H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.916 112.1 52.4 -61.8 -45.0 -5.7 33.4 -18.6 107 108 A A H < S+ 0 0 49 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.871 118.5 36.7 -59.3 -38.5 -8.2 35.8 -20.3 108 109 A Q H < S+ 0 0 126 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.838 132.3 19.8 -84.3 -35.3 -11.1 34.1 -18.7 109 110 A E H < S+ 0 0 112 -4,-2.5 2,-0.3 -5,-0.2 -3,-0.2 0.646 106.7 70.2-115.5 -22.2 -9.8 33.2 -15.2 110 111 A K < - 0 0 75 -4,-2.1 2,-0.1 -5,-0.4 0, 0.0 -0.681 55.0-155.3-110.7 158.0 -6.8 35.3 -14.3 111 112 A G > - 0 0 38 -2,-0.3 4,-1.5 -3,-0.0 3,-0.3 -0.373 43.3 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0.613 87.7 113.8-100.8 -16.0 0.5 29.1 -32.9 132 133 A E S >< S- 0 0 67 -4,-2.7 3,-1.2 -5,-0.3 23,-0.1 -0.106 75.0 -88.6 -63.0 157.3 1.4 32.6 -34.2 133 134 A Q T 3 S+ 0 0 118 21,-0.5 -1,-0.1 1,-0.2 3,-0.1 -0.218 108.1 37.5 -59.0 150.4 1.1 33.5 -37.9 134 135 A G T 3 S+ 0 0 70 1,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.253 86.5 116.8 90.5 -12.7 4.1 32.8 -40.1 135 136 A K < - 0 0 74 -3,-1.2 -1,-0.3 1,-0.1 -5,-0.0 -0.607 58.5-147.0 -85.1 151.3 5.1 29.5 -38.5 136 137 A S + 0 0 96 -2,-0.2 -1,-0.1 -44,-0.1 -43,-0.1 0.563 52.1 132.9 -92.3 -10.4 5.0 26.3 -40.5 137 138 A T - 0 0 8 -45,-0.2 2,-0.3 -7,-0.1 -43,-0.2 -0.139 54.3-134.2 -51.4 123.1 4.1 24.1 -37.5 138 139 A K E -e 94 0A 80 -45,-2.6 -43,-2.7 228,-0.0 2,-0.6 -0.632 18.3-143.8 -79.1 140.7 1.2 21.7 -38.3 139 140 A L E -ef 95 161A 0 21,-2.8 23,-2.4 -2,-0.3 2,-0.7 -0.892 8.9-160.9-122.1 102.5 -1.3 21.7 -35.5 140 141 A X E -ef 96 162A 0 -45,-3.1 -43,-2.9 -2,-0.6 2,-0.2 -0.753 22.5-164.3 -89.2 111.9 -3.1 18.4 -34.6 141 142 A X E - f 0 163A 0 21,-2.2 23,-2.7 -2,-0.7 3,-0.1 -0.603 28.4-162.2-105.7 155.2 -6.2 19.3 -32.6 142 143 A L S S+ 0 0 11 -45,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.737 74.4 22.1-103.0 -32.1 -8.6 17.5 -30.4 143 144 A T > - 0 0 11 1,-0.1 4,-1.7 22,-0.0 -1,-0.2 -0.966 63.1-125.9-139.4 156.1 -11.7 19.8 -30.4 144 145 A D H > S+ 0 0 119 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.813 112.5 60.2 -61.3 -33.4 -13.4 22.6 -32.3 145 146 A K H > S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 102.6 50.9 -63.9 -44.5 -13.3 24.7 -29.0 146 147 A Q H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.962 111.2 48.2 -53.1 -52.4 -9.5 24.5 -29.0 147 148 A I H X S+ 0 0 24 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.925 110.9 50.6 -57.0 -46.6 -9.4 25.7 -32.6 148 149 A A H X S+ 0 0 53 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.912 112.0 48.1 -57.1 -45.2 -11.8 28.5 -31.8 149 150 A D H X S+ 0 0 16 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.909 112.3 47.3 -61.9 -47.4 -9.7 29.6 -28.8 150 151 A F H X>S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.5 0.896 111.8 50.5 -65.7 -39.0 -6.4 29.6 -30.7 151 152 A Q H X5S+ 0 0 77 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172 A D G 3 S+ 0 0 67 1,-0.3 -2,-0.0 4,-0.1 -3,-0.0 0.655 87.8 59.4 -67.3 -13.2 -8.2 -2.7 -24.0 172 173 A R G < S+ 0 0 15 -3,-1.8 -1,-0.3 5,-0.0 5,-0.1 0.666 80.7 113.0 -80.5 -18.2 -10.9 -0.5 -22.3 173 174 A K S X S- 0 0 40 -3,-1.8 3,-1.8 -4,-0.3 119,-0.3 -0.264 71.8-131.2 -65.9 139.7 -13.7 -1.8 -24.5 174 175 A Y G > S+ 0 0 75 117,-3.1 3,-1.3 1,-0.3 -1,-0.1 0.857 108.5 55.0 -55.4 -38.5 -16.4 -3.9 -22.9 175 176 A S G 3 S+ 0 0 63 116,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.554 101.2 59.2 -77.2 -7.4 -16.1 -6.5 -25.7 176 177 A E G < S+ 0 0 123 -3,-1.8 -1,-0.3 -6,-0.2 2,-0.2 0.276 87.8 101.7 -98.0 5.9 -12.4 -6.9 -25.0 177 178 A Q S < S- 0 0 30 -3,-1.3 3,-0.1 -4,-0.2 4,-0.1 -0.582 81.0-100.3 -90.3 157.5 -13.0 -7.9 -21.4 178 179 A I > - 0 0 76 -2,-0.2 3,-1.3 1,-0.1 -1,-0.1 -0.255 53.8 -84.2 -64.6 155.8 -12.8 -11.5 -20.1 179 180 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.374 118.7 19.0 -59.2 147.5 -16.2 -13.2 -19.6 180 181 A N T 3> S+ 0 0 114 -3,-0.1 4,-2.9 1,-0.1 5,-0.3 0.739 80.5 151.6 63.1 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