==== 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 23-JUN-06 2IW1 . 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) . 16497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 72.7 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 . 25 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 1 1 1 2 2 2 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 67 0, 0.0 80,-2.2 0, 0.0 81,-1.4 0.000 360.0 360.0 360.0 118.5 14.4 9.9 -37.9 2 3 A V E -ab 33 82A 8 30,-2.9 32,-2.5 79,-0.2 2,-0.4 -0.955 360.0-157.4-111.9 117.1 11.4 11.2 -36.0 3 4 A A E -ab 34 83A 0 79,-2.9 81,-3.1 -2,-0.6 2,-0.4 -0.802 3.3-158.8 -97.0 134.1 12.1 13.1 -32.8 4 5 A F E -ab 35 84A 0 30,-3.1 32,-2.7 -2,-0.4 2,-0.5 -0.932 2.8-161.1-112.1 135.0 9.4 13.4 -30.1 5 6 A C E +ab 36 85A 2 79,-2.9 81,-2.9 -2,-0.4 82,-0.6 -0.972 24.0 146.8-120.2 121.6 9.5 16.0 -27.5 6 7 A L - 0 0 0 30,-1.7 32,-0.3 -2,-0.5 3,-0.1 -0.971 43.4-134.1-145.1 142.4 7.5 15.8 -24.2 7 8 A Y S S+ 0 0 21 -2,-0.3 31,-2.6 1,-0.2 32,-0.9 0.893 87.0 14.1 -64.1 -42.8 8.6 17.2 -20.9 8 9 A K E -g 39 0B 83 30,-0.2 2,-0.5 29,-0.2 -1,-0.2 -0.991 60.4-158.5-140.9 129.1 7.7 14.2 -18.8 9 10 A Y E +g 40 0B 19 30,-2.8 32,-2.4 -2,-0.4 28,-0.0 -0.922 29.2 142.0-103.2 132.2 6.8 10.6 -19.6 10 11 A F > - 0 0 30 -2,-0.5 3,-0.6 30,-0.2 32,-0.1 -0.941 54.0-113.9-155.3 159.6 4.9 8.5 -17.0 11 12 A P T 3 S+ 0 0 27 0, 0.0 31,-0.1 0, 0.0 249,-0.0 0.593 99.8 66.1 -74.3 -7.8 2.2 5.9 -17.6 12 13 A F T 3 S+ 0 0 46 247,-0.0 191,-0.4 191,-0.0 223,-0.4 -0.062 81.6 82.6-115.1 33.1 -0.8 7.7 -15.9 13 14 A G <> - 0 0 13 -3,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.981 68.6-135.5-133.5 145.7 -1.4 10.7 -18.1 14 15 A G H > S+ 0 0 35 -2,-0.3 4,-3.1 2,-0.2 5,-0.3 0.904 107.0 54.2 -64.0 -44.6 -3.4 11.1 -21.4 15 16 A L H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 113.1 44.3 -54.7 -45.1 -0.7 13.2 -23.1 16 17 A Q H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.865 114.0 48.5 -69.2 -40.8 1.8 10.5 -22.3 17 18 A R H X S+ 0 0 53 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.858 112.1 49.0 -70.7 -36.4 -0.4 7.6 -23.4 18 19 A D H X S+ 0 0 9 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.937 111.9 49.7 -65.4 -47.7 -1.3 9.4 -26.6 19 20 A F H X S+ 0 0 0 -4,-2.5 4,-3.2 -5,-0.3 5,-0.4 0.935 109.9 51.3 -52.0 -48.2 2.4 10.0 -27.2 20 21 A M H X S+ 0 0 22 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.932 113.6 43.3 -60.9 -44.1 3.2 6.3 -26.5 21 22 A R H X S+ 0 0 31 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.911 117.1 45.8 -69.5 -40.4 0.6 5.1 -29.0 22 23 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.943 115.2 45.7 -67.5 -47.5 1.5 7.6 -31.7 23 24 A A H X S+ 0 0 0 -4,-3.2 4,-2.8 -5,-0.2 -2,-0.2 0.881 112.4 51.8 -63.5 -38.1 5.3 7.1 -31.4 24 25 A S H X S+ 0 0 44 -4,-2.3 4,-2.2 -5,-0.4 -1,-0.2 0.884 109.3 50.5 -64.9 -37.6 4.8 3.3 -31.4 25 26 A T H X S+ 0 0 20 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.927 111.8 47.8 -63.7 -45.3 2.7 3.5 -34.5 26 27 A V H ><>S+ 0 0 0 -4,-2.4 5,-1.3 1,-0.2 3,-1.1 0.937 112.5 48.1 -60.9 -48.4 5.4 5.7 -36.2 27 28 A A H ><5S+ 0 0 20 -4,-2.8 3,-2.1 1,-0.2 -1,-0.2 0.894 106.4 57.8 -58.3 -40.5 8.2 3.3 -35.1 28 29 A A H 3<5S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.660 97.1 62.8 -68.9 -16.6 6.1 0.3 -36.4 29 30 A R T <<5S- 0 0 89 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.387 128.6 -96.5 -85.0 -0.8 6.1 1.9 -39.9 30 31 A G T < 5S+ 0 0 69 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.459 81.6 131.2 103.3 3.6 9.9 1.6 -40.0 31 32 A H < - 0 0 75 -5,-1.3 2,-0.6 1,-0.0 -1,-0.3 -0.566 61.7-112.8 -87.3 153.0 11.0 5.0 -38.8 32 33 A H - 0 0 79 -2,-0.2 -30,-2.9 16,-0.0 2,-0.5 -0.773 31.4-150.6 -87.5 120.3 13.6 5.6 -36.1 33 34 A V E -a 2 0A 1 -2,-0.6 16,-2.7 14,-0.3 2,-0.4 -0.820 13.8-174.7 -98.2 123.7 11.9 7.1 -33.0 34 35 A R E -ac 3 49A 13 -32,-2.5 -30,-3.1 -2,-0.5 2,-0.5 -0.956 7.0-161.6-114.0 134.4 14.0 9.4 -30.8 35 36 A V E -ac 4 50A 0 14,-3.1 16,-3.1 -2,-0.4 2,-0.5 -0.977 6.5-166.0-121.2 126.5 12.4 10.7 -27.6 36 37 A Y E +ac 5 51A 0 -32,-2.7 -30,-1.7 -2,-0.5 2,-0.3 -0.958 24.4 155.5-105.9 124.3 13.7 13.7 -25.6 37 38 A T E - c 0 52A 2 14,-2.1 16,-3.0 -2,-0.5 -30,-0.2 -0.985 49.1-135.0-142.8 157.2 12.3 14.1 -22.1 38 39 A Q S S+ 0 0 23 -31,-2.6 2,-0.3 -32,-0.3 -30,-0.2 0.833 96.0 1.6 -75.0 -32.1 13.2 15.6 -18.7 39 40 A S E -g 8 0B 31 -32,-0.9 -30,-2.8 -3,-0.1 2,-0.4 -0.989 60.6-157.9-156.3 149.5 12.1 12.4 -17.0 40 41 A W E -g 9 0B 46 -2,-0.3 2,-0.4 -32,-0.2 -30,-0.2 -0.971 8.8-174.8-135.6 115.8 10.8 9.0 -17.9 41 42 A E + 0 0 82 -32,-2.4 2,-0.1 -2,-0.4 -2,-0.0 -0.930 53.3 10.6-110.5 133.4 8.9 6.7 -15.4 42 43 A G S S- 0 0 51 -2,-0.4 -33,-0.0 -32,-0.1 -2,-0.0 -0.338 101.6 -19.1 97.9-178.5 7.9 3.2 -16.4 43 44 A D - 0 0 151 -2,-0.1 -2,-0.1 1,-0.0 0, 0.0 -0.185 53.2-155.4 -62.5 151.2 8.7 0.8 -19.3 44 45 A C - 0 0 47 -4,-0.1 -2,-0.0 4,-0.0 6,-0.0 -0.999 25.6-108.9-130.3 129.4 10.1 2.1 -22.6 45 46 A P > - 0 0 41 0, 0.0 3,-1.3 0, 0.0 0, 0.0 -0.265 24.7-129.3 -51.8 137.0 9.7 0.3 -25.9 46 47 A K T 3 S+ 0 0 217 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.752 104.9 66.4 -65.8 -21.8 13.1 -1.2 -27.0 47 48 A A T 3 S+ 0 0 64 2,-0.1 -14,-0.3 -15,-0.0 -1,-0.3 0.775 84.8 92.5 -65.6 -29.7 12.6 0.4 -30.4 48 49 A F < - 0 0 18 -3,-1.3 2,-0.8 -16,-0.1 -14,-0.2 -0.457 69.3-141.7 -78.9 136.8 12.9 4.0 -28.9 49 50 A E E -c 34 0A 69 -16,-2.7 -14,-3.1 -2,-0.2 2,-0.5 -0.878 29.6-160.6 -87.7 108.1 16.1 6.0 -28.6 50 51 A L E -c 35 0A 70 -2,-0.8 2,-0.5 -16,-0.2 -14,-0.2 -0.841 11.3-173.2-103.6 120.1 15.5 7.6 -25.2 51 52 A I E -c 36 0A 25 -16,-3.1 -14,-2.1 -2,-0.5 2,-0.5 -0.969 14.1-147.9-117.1 118.3 17.4 10.8 -24.3 52 53 A Q E -c 37 0A 74 -2,-0.5 -14,-0.2 -16,-0.2 -13,-0.1 -0.748 15.4-143.5 -84.2 126.0 17.2 12.2 -20.8 53 54 A V - 0 0 4 -16,-3.0 2,-0.2 -2,-0.5 14,-0.1 -0.832 13.1-133.1 -97.7 118.3 17.6 16.0 -21.0 54 55 A P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 16,-0.1 -0.490 31.7 170.0 -74.2 133.6 19.5 17.5 -18.0 55 56 A V - 0 0 46 -2,-0.2 8,-0.1 -17,-0.1 9,-0.0 -0.945 21.2-179.3-136.5 159.1 17.9 20.6 -16.4 56 57 A K + 0 0 176 -2,-0.3 7,-0.1 6,-0.1 -1,-0.1 0.433 39.3 122.4-140.1 -3.8 18.7 22.4 -13.1 57 58 A S - 0 0 31 5,-0.1 6,-0.1 1,-0.1 -2,-0.1 -0.210 60.1-132.4 -61.1 156.4 16.2 25.3 -12.8 58 59 A H S S+ 0 0 175 4,-0.0 2,-0.3 5,-0.0 -1,-0.1 0.451 83.8 61.0 -92.7 -1.7 14.0 25.4 -9.7 59 60 A T S > S- 0 0 55 1,-0.1 4,-2.2 60,-0.0 5,-0.2 -0.871 81.5-123.7-121.3 155.4 10.7 26.0 -11.6 60 61 A N H > S+ 0 0 86 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.946 115.3 49.8 -56.0 -48.6 8.7 24.0 -14.2 61 62 A H H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 111.2 48.1 -63.2 -39.7 8.8 27.0 -16.5 62 63 A G H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 112.6 48.4 -65.2 -42.5 12.6 27.5 -16.1 63 64 A R H X S+ 0 0 65 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.868 108.5 54.7 -65.6 -38.1 13.3 23.7 -16.6 64 65 A N H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.911 108.1 48.9 -62.5 -42.9 11.1 23.8 -19.8 65 66 A A H X S+ 0 0 39 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.919 112.2 48.2 -62.0 -44.1 13.1 26.6 -21.2 66 67 A E H X S+ 0 0 67 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.889 110.5 52.7 -61.7 -40.2 16.4 24.7 -20.4 67 68 A Y H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.937 108.2 49.6 -60.7 -48.5 14.9 21.6 -22.0 68 69 A Y H X S+ 0 0 65 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.915 113.0 47.0 -58.7 -44.9 14.0 23.4 -25.2 69 70 A A H X S+ 0 0 47 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.898 113.4 47.8 -65.0 -40.2 17.6 24.9 -25.5 70 71 A W H X S+ 0 0 86 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.915 112.3 48.9 -68.2 -44.6 19.3 21.6 -24.8 71 72 A V H X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.913 109.2 53.2 -61.4 -42.8 17.1 19.8 -27.3 72 73 A Q H X S+ 0 0 63 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.903 110.5 46.8 -59.3 -43.3 17.8 22.4 -29.9 73 74 A N H X S+ 0 0 105 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.899 112.0 50.4 -65.7 -39.7 21.5 22.1 -29.5 74 75 A H H X S+ 0 0 35 -4,-2.3 4,-2.1 1,-0.2 3,-0.4 0.935 110.1 50.3 -64.1 -44.5 21.3 18.3 -29.6 75 76 A L H < S+ 0 0 18 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.823 103.5 60.5 -61.4 -33.2 19.3 18.5 -32.8 76 77 A K H < S+ 0 0 158 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.904 115.8 32.8 -59.5 -41.3 21.9 20.8 -34.3 77 78 A E H < S+ 0 0 132 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.699 131.9 33.5 -87.0 -24.1 24.5 18.1 -33.9 78 79 A H S < S- 0 0 94 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.669 87.7-153.6-134.5 76.7 22.2 15.1 -34.5 79 80 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.105 4.2-155.2 -60.7 148.5 19.5 16.2 -37.0 80 81 A A - 0 0 26 1,-0.1 -78,-0.2 -5,-0.1 3,-0.1 -0.852 19.4-133.9-115.3 156.3 16.1 14.7 -37.2 81 82 A D S S+ 0 0 130 -80,-2.2 2,-0.3 -2,-0.3 -79,-0.2 0.811 91.9 11.6 -78.1 -32.6 13.8 14.6 -40.2 82 83 A R E -b 2 0A 47 -81,-1.4 -79,-2.9 2,-0.0 2,-0.5 -0.994 63.9-150.7-145.1 144.6 10.8 15.7 -38.2 83 84 A V E -b 3 0A 13 -2,-0.3 10,-2.5 -81,-0.2 11,-1.7 -0.978 15.9-172.1-118.4 120.3 10.3 17.1 -34.7 84 85 A V E -bd 4 94A 0 -81,-3.1 -79,-2.9 -2,-0.5 2,-0.4 -0.957 5.4-161.7-117.6 122.9 7.0 16.3 -33.0 85 86 A G E -bd 5 95A 0 9,-2.9 11,-2.5 -2,-0.5 -79,-0.2 -0.856 24.5-173.6-111.1 143.7 6.0 18.0 -29.7 86 87 A F S S+ 0 0 0 -81,-2.9 2,-0.3 -2,-0.4 12,-0.3 0.344 83.3 52.1-108.8 1.2 3.4 17.1 -27.1 87 88 A N S S- 0 0 20 -82,-0.6 2,-0.4 10,-0.1 -82,-0.1 -0.963 99.2 -99.0-130.6 152.1 4.1 20.3 -25.2 88 89 A K + 0 0 26 -2,-0.3 39,-0.2 7,-0.1 38,-0.1 -0.544 64.7 126.1 -75.6 122.6 4.1 23.8 -26.6 89 90 A M > - 0 0 3 -2,-0.4 3,-0.6 38,-0.1 -4,-0.1 -0.964 59.7 -81.9-162.7 163.6 7.6 25.1 -27.4 90 91 A P T 3 S+ 0 0 26 0, 0.0 40,-0.1 0, 0.0 36,-0.0 -0.333 100.0 42.8 -67.1 160.0 9.5 26.6 -30.4 91 92 A G T 3 S+ 0 0 44 1,-0.3 2,-0.3 38,-0.2 -8,-0.1 0.501 74.0 140.1 91.2 7.6 11.0 24.4 -33.1 92 93 A L < - 0 0 4 -3,-0.6 -1,-0.3 1,-0.1 -8,-0.2 -0.657 38.4-168.4 -89.7 138.8 8.2 21.9 -33.7 93 94 A D S S+ 0 0 59 -10,-2.5 45,-2.7 -2,-0.3 2,-0.3 0.756 87.3 18.0 -83.0 -31.5 7.2 20.6 -37.1 94 95 A V E -de 84 138A 0 -11,-1.7 -9,-2.9 43,-0.3 2,-0.4 -0.995 69.2-163.8-141.7 138.6 4.1 19.0 -35.6 95 96 A Y E -de 85 139A 0 43,-2.8 45,-3.1 -2,-0.3 2,-0.6 -0.986 10.8-148.1-124.9 135.8 2.4 19.7 -32.3 96 97 A F E - e 0 140A 0 -11,-2.5 2,-1.8 -2,-0.4 3,-0.2 -0.933 20.3-135.6-100.9 118.7 -0.3 17.4 -30.6 97 98 A A + 0 0 0 43,-3.1 45,-0.3 -2,-0.6 -11,-0.1 -0.490 47.3 146.7 -81.6 80.1 -2.7 19.6 -28.6 98 99 A A + 0 0 26 -2,-1.8 183,-0.3 -12,-0.3 2,-0.2 0.621 61.3 62.9 -81.9 -15.1 -3.1 17.8 -25.3 99 100 A D S S- 0 0 70 -3,-0.2 2,-0.1 182,-0.1 3,-0.0 -0.679 86.0-106.4-110.5 162.0 -3.6 21.0 -23.4 100 101 A V - 0 0 31 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.311 53.3 -80.4 -72.3 166.9 -6.2 23.8 -23.4 101 102 A C > - 0 0 1 1,-0.2 4,-2.3 -2,-0.1 -1,-0.1 -0.649 41.3-158.6 -70.9 114.6 -5.4 27.2 -25.0 102 103 A Y H > S+ 0 0 25 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.879 88.1 55.9 -65.9 -42.1 -3.4 29.0 -22.3 103 104 A A H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 111.1 45.5 -59.7 -40.8 -4.1 32.5 -23.5 104 105 A E H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 110.8 52.5 -68.2 -44.9 -7.9 31.8 -23.3 105 106 A K H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 5,-0.4 0.942 114.2 43.3 -52.5 -51.4 -7.6 30.2 -19.9 106 107 A V H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.917 113.3 51.4 -62.7 -45.6 -5.8 33.3 -18.6 107 108 A A H < S+ 0 0 50 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.883 118.3 38.4 -58.3 -40.6 -8.1 35.7 -20.4 108 109 A Q H < S+ 0 0 126 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.846 132.5 18.0 -79.7 -36.0 -11.2 34.0 -18.8 109 110 A E H < S+ 0 0 108 -4,-2.4 2,-0.2 -5,-0.2 -3,-0.2 0.681 108.7 67.9-115.3 -25.5 -10.0 33.2 -15.3 110 111 A K < - 0 0 75 -4,-2.1 2,-0.1 -5,-0.4 0, 0.0 -0.593 53.0-161.9-111.3 163.0 -7.0 35.2 -14.4 111 112 A G > - 0 0 37 -2,-0.2 4,-1.6 -3,-0.0 3,-0.3 -0.411 45.7 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0.616 87.6 114.8-101.1 -18.0 0.6 28.8 -32.8 132 133 A E S >< S- 0 0 67 -4,-2.8 3,-1.3 -5,-0.3 23,-0.1 -0.079 75.0 -87.4 -60.4 156.0 1.5 32.3 -34.1 133 134 A Q T 3 S+ 0 0 120 21,-0.6 -1,-0.1 1,-0.2 3,-0.1 -0.254 109.3 36.8 -57.4 146.5 1.1 33.3 -37.8 134 135 A G T 3 S+ 0 0 70 1,-0.4 -1,-0.2 -3,-0.1 2,-0.2 0.249 86.7 117.4 93.8 -11.5 4.1 32.5 -40.0 135 136 A K < - 0 0 71 -3,-1.3 -1,-0.4 1,-0.1 -5,-0.0 -0.603 57.3-147.7 -88.0 152.5 5.1 29.3 -38.4 136 137 A S + 0 0 95 -2,-0.2 -1,-0.1 -44,-0.1 -43,-0.1 0.537 51.4 133.0 -93.2 -9.2 4.9 26.0 -40.3 137 138 A T - 0 0 8 -45,-0.1 2,-0.3 -7,-0.1 -43,-0.3 -0.179 54.4-134.2 -54.5 123.8 4.0 23.8 -37.4 138 139 A K E -e 94 0A 78 -45,-2.7 -43,-2.8 228,-0.1 2,-0.6 -0.639 18.8-143.6 -78.8 138.6 1.2 21.4 -38.1 139 140 A L E -ef 95 161A 0 21,-2.9 23,-2.4 -2,-0.3 2,-0.7 -0.902 9.3-161.4-119.4 105.5 -1.4 21.5 -35.3 140 141 A M E -ef 96 162A 0 -45,-3.1 -43,-3.1 -2,-0.6 2,-0.2 -0.788 22.2-165.6 -93.6 112.8 -3.1 18.2 -34.4 141 142 A M E - f 0 163A 0 21,-2.6 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< +f 139 0A 19 -3,-1.4 2,-0.4 -4,-0.4 -21,-0.2 -0.626 50.8 176.5 -82.0 138.5 -5.2 22.8 -37.9 162 163 A Q E -f 140 0A 87 -23,-2.4 -21,-2.6 -2,-0.3 2,-0.3 -0.928 21.3-142.5-139.0 117.7 -6.2 19.2 -38.3 163 164 A I E -f 141 0A 83 -2,-0.4 -21,-0.2 -23,-0.2 -23,-0.1 -0.581 17.9-149.5 -77.1 136.1 -8.8 17.7 -35.9 164 165 A L - 0 0 9 -23,-2.9 195,-0.1 -2,-0.3 3,-0.1 -0.795 13.8-118.7-102.2 149.6 -8.1 14.1 -34.9 165 166 A P - 0 0 27 0, 0.0 191,-0.1 0, 0.0 197,-0.1 -0.366 53.1 -78.6 -71.2 166.6 -10.6 11.4 -34.0 166 167 A P - 0 0 2 0, 0.0 193,-2.1 0, 0.0 -24,-0.0 -0.186 33.5-148.2 -65.9 165.4 -10.3 10.0 -30.5 167 168 A G + 0 0 6 191,-0.2 190,-0.3 192,-0.2 2,-0.1 -0.258 26.7 166.9-132.4 48.0 -7.6 7.4 -29.6 168 169 A I - 0 0 3 188,-2.6 188,-0.1 1,-0.1 191,-0.0 -0.393 42.3-112.1 -67.9 134.2 -9.0 5.3 -26.9 169 170 A Y > - 0 0 49 1,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.505 20.3-129.9 -66.6 135.6 -6.9 2.1 -26.3 170 171 A P G > S+ 0 0 79 0, 0.0 3,-1.4 0, 0.0 6,-0.2 0.709 97.8 76.6 -62.6 -20.3 -8.9 -1.1 -27.3 171 172 A D G 3 S+ 0 0 64 1,-0.3 -2,-0.0 4,-0.1 -3,-0.0 0.613 87.3 60.5 -69.9 -12.3 -8.2 -2.8 -24.0 172 173 A R G < S+ 0 0 15 -3,-1.7 -1,-0.3 5,-0.0 5,-0.1 0.680 79.7 112.7 -81.6 -18.7 -10.8 -0.7 -22.2 173 174 A K S X S- 0 0 41 -3,-1.4 3,-2.0 -4,-0.3 119,-0.3 -0.257 72.6-130.3 -63.9 138.7 -13.7 -1.9 -24.5 174 175 A Y G > S+ 0 0 78 117,-3.2 3,-1.3 1,-0.3 -1,-0.1 0.842 108.4 55.7 -53.8 -36.2 -16.3 -4.1 -22.8 175 176 A S G 3 S+ 0 0 63 116,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.546 100.8 59.4 -79.6 -7.8 -16.0 -6.7 -25.6 176 177 A E G < S+ 0 0 126 -3,-2.0 -1,-0.3 -6,-0.2 2,-0.2 0.275 87.6 100.6-100.5 7.6 -12.3 -7.1 -24.9 177 178 A Q S < S- 0 0 30 -3,-1.3 3,-0.1 -4,-0.2 4,-0.1 -0.615 82.0-100.4 -91.1 153.5 -12.8 -8.1 -21.3 178 179 A I > - 0 0 76 -2,-0.2 3,-1.3 1,-0.1 -1,-0.1 -0.230 54.1 -83.8 -59.0 154.7 -12.7 -11.6 -19.9 179 180 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.377 118.3 19.2 -60.2 147.5 -16.1 -13.3 -19.4 180 181 A N T 3> S+ 0 0 114 -3,-0.1 4,-2.9 1,-0.1 5,-0.2 0.733 80.7 151.5 63.9 24.1 -17.7 -12.4 -16.1 181 182 A S H <> + 0 0 23 -3,-1.3 4,-2.9 1,-0.2 5,-0.3 0.867 65.2 55.1 -53.5 -43.0 -15.4 -9.4 -15.9 182 183 A R H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.960 114.8 38.3 -57.6 -52.8 -17.9 -7.4 -13.8 183 184 A E H > S+ 0 0 130 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.921 118.6 48.5 -63.7 -46.7 -18.1 -10.0 -11.1 184 185 A I H X S+ 0 0 62 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.941 115.7 41.7 -62.0 -48.6 -14.5 -11.0 -11.2 185 186 A Y H X S+ 0 0 27 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.795 112.3 54.1 -77.0 -27.1 -13.1 -7.5 -11.0 186 187 A R H <>S+ 0 0 8 -4,-2.0 5,-3.0 -5,-0.3 3,-0.2 0.944 111.6 46.1 -62.9 -47.8 -15.6 -6.3 -8.4 187 188 A Q H ><5S+ 0 0 152 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.918 109.8 54.3 -60.6 -44.1 -14.5 -9.3 -6.2 188 189 A K H 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 112.7 44.1 -56.2 -36.5 -10.8 -8.4 -6.8 189 190 A N T 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.247 117.6-109.3 -98.3 11.1 -11.5 -4.9 -5.6 190 191 A G T < 5 + 0 0 56 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.741 65.7 150.7 70.4 26.0 -13.5 -5.8 -2.6 191 192 A I < - 0 0 11 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.1 -0.808 39.3-136.1 -93.4 124.5 -16.8 -4.5 -4.0 192 193 A K > - 0 0 123 -2,-0.5 3,-1.5 1,-0.1 -5,-0.0 -0.447 22.9-108.6 -79.6 154.9 -19.9 -6.3 -2.8 193 194 A E T 3 S+ 0 0 177 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.821 116.8 40.7 -49.5 -41.4 -22.7 -7.4 -5.1 194 195 A Q T 3 S+ 0 0 121 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.523 93.6 104.6 -91.1 -6.6 -25.2 -4.8 -3.8 195 196 A Q < - 0 0 31 -3,-1.5 2,-0.6 1,-0.1 33,-0.2 -0.375 68.0-126.9 -78.4 153.3 -22.7 -1.8 -3.4 196 197 A N E -h 228 0C 17 31,-3.0 33,-3.1 28,-0.2 2,-0.7 -0.901 20.8-157.8 -97.5 122.2 -22.5 1.2 -5.8 197 198 A L E -h 229 0C 0 -2,-0.6 74,-3.0 31,-0.2 75,-1.6 -0.918 5.5-168.0-104.4 112.5 -19.0 1.8 -7.1 198 199 A L E -hi 230 272C 0 31,-3.2 33,-2.9 -2,-0.7 2,-0.4 -0.823 11.5-158.2 -93.8 138.2 -18.4 5.3 -8.3 199 200 A L E +hi 231 273C 0 73,-2.5 75,-2.5 -2,-0.4 2,-0.4 -0.976 17.5 178.6-127.8 128.6 -15.1 5.7 -10.2 200 201 A Q E -h 232 0C 3 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