==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-DEC-03 1RO8 . COMPND 2 MOLECULE: ALPHA-2,3/8-SIALYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR C.P.CHIU,A.G.WATTS,L.L.LAIRSON,M.GILBERT,D.LIM, . 472 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 38 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 4 3 0 2 0 0 0 2 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 2 2 2 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 2 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 -3 A G 0 0 57 0, 0.0 146,-0.1 0, 0.0 142,-0.1 0.000 360.0 360.0 360.0-166.6 20.6 8.1 10.1 2 -2 A S > - 0 0 26 144,-0.8 3,-1.2 141,-0.2 145,-0.1 -0.232 360.0-167.9-167.6 65.8 22.2 10.0 12.9 3 -1 A H T 3 S+ 0 0 110 143,-0.3 145,-0.3 1,-0.2 2,-0.2 -0.265 79.8 19.4 -57.8 146.5 20.0 12.6 14.6 4 1 A X T 3 S+ 0 0 148 143,-1.6 -1,-0.2 1,-0.3 144,-0.1 -0.018 102.9 109.6 81.7 -31.0 21.9 15.0 16.9 5 2 A K S < S- 0 0 46 -3,-1.2 144,-0.8 -2,-0.2 145,-0.7 -0.187 72.5-111.1 -71.7 167.8 25.2 14.1 15.2 6 3 A K E -a 150 0A 55 21,-0.2 23,-2.5 142,-0.1 2,-0.4 -0.795 30.3-161.7-102.4 145.1 27.1 16.5 12.9 7 4 A V E -ab 151 29A 0 143,-2.0 145,-3.0 -2,-0.3 2,-0.6 -0.975 14.0-147.7-131.3 143.0 27.4 16.0 9.2 8 5 A I E -ab 152 30A 0 21,-2.7 23,-2.8 -2,-0.4 2,-0.6 -0.941 14.6-158.2-107.5 117.9 29.7 17.4 6.5 9 6 A I E -ab 153 31A 0 143,-2.8 145,-1.8 -2,-0.6 2,-0.6 -0.874 12.0-163.2 -96.6 119.6 28.0 17.8 3.1 10 7 A A E -a 154 0A 0 21,-2.4 23,-0.3 -2,-0.6 145,-0.2 -0.915 11.6-172.8-114.1 120.3 30.6 17.8 0.4 11 8 A G - 0 0 6 143,-3.0 145,-0.2 -2,-0.6 22,-0.0 -0.322 35.6-116.5 -86.8-177.4 29.9 19.0 -3.1 12 9 A N + 0 0 12 143,-0.2 154,-1.9 -2,-0.1 155,-0.3 0.101 67.6 130.4-112.0 21.9 32.7 18.5 -5.7 13 10 A G S > S- 0 0 10 142,-2.6 3,-2.0 152,-0.2 4,-0.2 -0.153 77.9 -95.4 -66.4 168.3 33.5 22.1 -6.4 14 11 A P G > S+ 0 0 32 0, 0.0 3,-1.6 0, 0.0 4,-0.1 0.747 119.0 72.6 -61.0 -20.4 37.0 23.4 -6.3 15 12 A S G > S+ 0 0 2 1,-0.3 3,-1.7 2,-0.2 190,-0.1 0.630 74.7 82.1 -69.3 -10.5 36.5 24.6 -2.6 16 13 A L G X S+ 0 0 0 -3,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.823 93.8 48.5 -60.5 -28.1 36.6 20.9 -1.6 17 14 A K G < S+ 0 0 99 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.413 106.1 59.0 -90.6 -0.8 40.4 21.4 -1.7 18 15 A E G < + 0 0 99 -3,-1.7 187,-0.4 -4,-0.1 -1,-0.2 -0.123 69.0 149.6-120.6 36.4 40.3 24.6 0.3 19 16 A I < - 0 0 11 -3,-0.5 2,-1.4 184,-0.1 184,-0.2 -0.484 49.5-131.8 -68.6 134.5 38.7 23.3 3.5 20 17 A D > - 0 0 37 182,-3.1 3,-2.2 -2,-0.2 4,-0.2 -0.780 23.1-165.4 -88.3 96.0 39.8 25.3 6.5 21 18 A Y G > S+ 0 0 51 -2,-1.4 199,-0.7 1,-0.3 3,-0.7 0.595 79.5 69.6 -60.8 -12.5 40.6 22.1 8.6 22 19 A S G 3 S+ 0 0 15 1,-0.2 197,-2.7 197,-0.2 -1,-0.3 0.621 98.6 52.0 -80.7 -10.5 40.8 24.1 11.8 23 20 A R G < S+ 0 0 22 -3,-2.2 -1,-0.2 194,-0.2 -2,-0.2 0.358 82.3 116.3-103.0 1.9 37.0 24.6 11.5 24 21 A L S < S- 0 0 0 -3,-0.7 198,-0.1 -4,-0.2 4,-0.0 -0.564 72.6-114.1 -74.2 128.2 36.3 20.9 11.1 25 22 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.214 21.1-116.8 -60.5 154.8 34.2 19.5 13.9 26 23 A N S S+ 0 0 106 1,-0.2 2,-0.3 193,-0.1 195,-0.1 0.789 99.4 21.5 -63.6 -28.9 35.9 16.9 16.2 27 24 A D S S+ 0 0 100 2,-0.0 2,-0.3 -20,-0.0 -1,-0.2 -0.998 77.3 145.5-141.3 141.7 33.4 14.3 15.1 28 25 A F - 0 0 38 -2,-0.3 2,-0.3 -23,-0.1 -21,-0.2 -0.991 40.7-120.4-169.8 160.7 31.1 14.0 12.1 29 26 A D E -b 7 0A 18 -23,-2.5 -21,-2.7 -2,-0.3 2,-0.4 -0.721 34.4-135.8-100.8 158.0 29.4 11.9 9.4 30 27 A V E -b 8 0A 4 -2,-0.3 19,-2.9 -23,-0.2 20,-1.8 -0.973 12.8-164.0-126.3 129.5 30.3 12.6 5.7 31 28 A F E +bc 9 50A 0 -23,-2.8 -21,-2.4 -2,-0.4 2,-0.3 -0.940 17.4 177.7-108.7 120.8 27.9 12.8 2.7 32 29 A R E - c 0 51A 0 18,-2.6 20,-2.1 -2,-0.5 2,-0.3 -0.782 6.9-160.1-117.8 165.1 29.6 12.6 -0.7 33 30 A C E > - c 0 52A 5 -23,-0.3 3,-1.2 -2,-0.3 20,-0.2 -0.976 41.0 -28.6-148.0 159.8 28.1 12.6 -4.2 34 31 A N T 3 S+ 0 0 25 18,-2.5 3,-0.4 -2,-0.3 2,-0.1 -0.044 124.6 7.4 42.2-113.5 28.7 11.7 -7.9 35 32 A Q T > S+ 0 0 25 1,-0.2 3,-2.1 2,-0.1 -1,-0.2 -0.014 84.1 129.2 -90.4 33.8 32.4 11.8 -8.9 36 33 A F G X + 0 0 0 -3,-1.2 3,-2.2 1,-0.3 -1,-0.2 0.861 65.6 64.6 -52.8 -40.7 33.8 12.3 -5.3 37 34 A Y G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.579 83.2 77.8 -63.0 -8.6 36.2 9.4 -5.7 38 35 A F G < + 0 0 5 -3,-2.1 -1,-0.3 194,-0.1 130,-0.3 0.657 69.6 117.1 -72.9 -16.6 38.0 11.4 -8.4 39 36 A E < - 0 0 0 -3,-2.2 128,-0.1 -4,-0.2 3,-0.0 -0.176 65.4-141.9 -53.6 143.5 39.6 13.4 -5.6 40 37 A D S S+ 0 0 66 126,-0.3 187,-1.5 1,-0.1 2,-0.3 0.586 83.8 28.4 -86.5 -9.4 43.4 13.1 -5.5 41 38 A K E S-H 226 0B 74 185,-0.2 2,-2.2 4,-0.0 185,-0.2 -0.969 90.6-102.2-145.1 156.5 43.4 13.1 -1.7 42 39 A Y E > +H 225 0B 14 183,-3.1 3,-0.9 -2,-0.3 183,-0.5 -0.500 45.8 171.5 -81.2 73.7 41.1 12.0 1.1 43 40 A Y T 3 S+ 0 0 10 -2,-2.2 -1,-0.2 1,-0.3 3,-0.1 0.748 83.3 18.7 -55.6 -27.2 40.0 15.6 1.8 44 41 A L T 3 S- 0 0 3 1,-0.4 -1,-0.3 -3,-0.2 3,-0.2 0.154 120.6 -98.8-130.8 17.0 37.2 14.2 4.1 45 42 A G < - 0 0 18 -3,-0.9 -1,-0.4 1,-0.1 -2,-0.1 -0.121 35.1 -79.8 91.5 171.2 38.5 10.7 4.8 46 43 A K S S+ 0 0 75 -4,-0.1 29,-2.2 28,-0.1 2,-0.6 0.669 102.0 84.2 -86.0 -19.5 37.7 7.2 3.5 47 44 A K E - d 0 75A 153 27,-0.2 2,-0.4 -3,-0.2 29,-0.2 -0.776 55.6-177.1 -95.6 120.7 34.5 6.8 5.6 48 45 A C E - d 0 76A 6 27,-2.8 29,-0.9 -2,-0.6 -17,-0.2 -0.875 25.3-155.4-113.5 145.0 31.3 8.1 4.3 49 46 A K E S- 0 0 16 -19,-2.9 29,-2.0 -2,-0.4 2,-0.3 0.800 85.9 -2.2 -83.3 -32.6 27.9 8.0 6.0 50 47 A A E -cd 31 78A 0 -20,-1.8 -18,-2.6 27,-0.2 2,-0.4 -0.987 57.5-155.5-159.2 147.5 26.2 8.3 2.6 51 48 A V E -cd 32 79A 1 27,-1.4 29,-3.3 -2,-0.3 2,-0.4 -0.983 17.4-152.1-124.8 136.5 27.0 8.7 -1.1 52 49 A F E -cd 33 80A 0 -20,-2.1 -18,-2.5 -2,-0.4 2,-0.4 -0.899 12.3-178.0-113.4 141.4 24.5 10.1 -3.5 53 50 A Y E - d 0 81A 0 27,-2.4 29,-1.8 -2,-0.4 5,-0.1 -0.999 29.1-115.3-139.0 138.0 24.1 9.5 -7.3 54 51 A N >> - 0 0 59 -2,-0.4 3,-1.1 27,-0.2 4,-0.7 -0.327 30.7-117.7 -65.4 149.8 21.8 10.9 -9.9 55 52 A P G >4 S+ 0 0 23 0, 0.0 3,-0.5 0, 0.0 4,-0.5 0.831 109.7 66.5 -59.4 -32.0 19.4 8.4 -11.5 56 53 A S G 34 S+ 0 0 98 1,-0.2 3,-0.0 33,-0.1 34,-0.0 0.793 117.1 23.1 -61.8 -29.4 20.9 8.9 -14.9 57 54 A L G <> S+ 0 0 34 -3,-1.1 4,-2.8 2,-0.1 3,-0.2 0.279 90.5 107.8-119.6 8.8 24.2 7.3 -13.9 58 55 A F H S+ 0 0 34 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.932 116.3 34.9 -51.5 -48.5 23.5 1.9 -12.7 60 57 A E H > S+ 0 0 16 -3,-0.2 4,-2.3 2,-0.2 175,-0.4 0.850 116.7 53.5 -77.0 -35.4 27.2 2.6 -13.4 61 58 A Q H X S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.901 107.6 50.8 -66.0 -42.0 27.9 4.5 -10.1 62 59 A Y H X S+ 0 0 38 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.928 111.3 49.3 -60.9 -44.6 26.6 1.6 -8.0 63 60 A Y H X S+ 0 0 115 -4,-1.3 4,-1.2 -5,-0.3 -2,-0.2 0.927 113.7 46.1 -59.1 -46.4 28.8 -0.8 -10.0 64 61 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 171,-0.2 -2,-0.2 0.874 108.0 55.7 -66.6 -39.8 31.8 1.5 -9.4 65 62 A L H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.917 104.2 54.2 -60.9 -43.4 31.1 2.0 -5.7 66 63 A K H X S+ 0 0 77 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.863 109.9 48.0 -59.3 -34.7 31.2 -1.7 -5.2 67 64 A H H X S+ 0 0 75 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.911 110.3 51.3 -71.5 -41.5 34.6 -1.8 -6.8 68 65 A L H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 6,-1.0 0.906 114.3 44.3 -59.4 -42.8 35.7 1.2 -4.6 69 66 A I H ><5S+ 0 0 57 -4,-2.8 3,-1.6 3,-0.2 -2,-0.2 0.932 112.5 50.2 -68.2 -47.6 34.5 -0.7 -1.5 70 67 A Q H 3<5S+ 0 0 162 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.856 111.8 49.2 -59.3 -36.1 36.0 -4.0 -2.5 71 68 A N T 3<5S- 0 0 88 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.411 113.5-121.7 -85.4 2.0 39.4 -2.3 -3.2 72 69 A Q T < 5S+ 0 0 164 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.786 76.3 124.6 62.2 33.0 39.2 -0.6 0.2 73 70 A E S > - 0 0 35 1,-0.1 4,-2.1 5,-0.0 3,-1.8 -0.992 51.2-143.1-128.3 124.0 9.3 13.5 -11.7 87 84 A A T 34 S+ 0 0 73 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.851 101.5 50.7 -52.2 -42.6 8.5 12.0 -15.1 88 85 A H T 34 S+ 0 0 110 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.518 116.7 41.6 -77.3 -4.0 10.8 14.5 -17.0 89 86 A L T <4 S+ 0 0 43 -3,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.690 116.6 28.9-113.7 -26.8 13.7 13.8 -14.7 90 87 A E S < S- 0 0 14 -4,-2.1 2,-0.3 -35,-0.1 -1,-0.3 -0.983 79.5-102.9-140.5 151.4 13.8 10.1 -14.1 91 88 A N > - 0 0 42 -2,-0.3 4,-1.7 157,-0.2 -3,-0.1 -0.554 32.0-143.5 -68.4 125.0 12.8 6.8 -15.8 92 89 A E H > S+ 0 0 119 -2,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.855 98.4 51.0 -61.0 -39.1 9.6 5.7 -14.1 93 90 A N H > S+ 0 0 65 154,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 104.5 59.4 -68.1 -35.9 10.4 2.0 -14.2 94 91 A F H 4 S+ 0 0 5 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.954 110.5 41.4 -54.6 -51.9 13.8 2.8 -12.6 95 92 A V H >< S+ 0 0 22 -4,-1.7 3,-0.9 1,-0.2 4,-0.3 0.919 112.0 53.7 -65.0 -46.0 12.1 4.3 -9.5 96 93 A K H 3< S+ 0 0 167 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.807 120.5 30.8 -61.0 -33.1 9.3 1.7 -9.2 97 94 A T T >X S+ 0 0 31 -4,-1.9 3,-1.6 -3,-0.2 4,-1.2 0.242 86.0 116.4-109.4 11.4 11.6 -1.3 -9.1 98 95 A F H X> S+ 0 0 0 -3,-0.9 4,-2.4 -4,-0.4 3,-0.8 0.874 73.5 49.8 -47.1 -52.2 14.6 0.5 -7.4 99 96 A Y H 34 S+ 0 0 81 -4,-0.3 -1,-0.3 1,-0.2 6,-0.1 0.635 108.3 55.2 -67.7 -13.4 14.6 -1.5 -4.2 100 97 A D H <4 S+ 0 0 133 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.692 114.3 37.9 -90.2 -23.1 14.6 -4.8 -6.1 101 98 A Y H << S+ 0 0 103 -4,-1.2 -2,-0.2 -3,-0.8 -3,-0.1 0.753 132.1 26.4 -95.7 -29.2 17.6 -4.0 -8.2 102 99 A F >< + 0 0 9 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.2 -0.581 70.0 171.6-134.6 71.7 19.6 -2.2 -5.5 103 100 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.743 78.1 48.8 -51.2 -35.2 18.4 -3.7 -2.1 104 101 A D T 3 S+ 0 0 74 2,-0.1 -25,-0.4 -26,-0.0 2,-0.2 0.365 103.4 77.7 -91.8 5.9 21.0 -2.0 0.1 105 102 A A < - 0 0 1 -3,-2.0 2,-0.3 -7,-0.1 -25,-0.2 -0.566 69.2-137.5-107.8 172.5 20.4 1.4 -1.4 106 103 A H E -e 80 0A 60 -27,-2.6 -25,-2.2 -2,-0.2 2,-0.7 -0.950 19.1-117.4-131.6 154.4 17.6 4.0 -0.9 107 104 A L E > -e 81 0A 8 -2,-0.3 3,-1.8 -27,-0.2 4,-0.4 -0.812 27.5-144.6 -86.1 117.2 15.6 6.3 -3.1 108 105 A G T >> S+ 0 0 0 -27,-2.9 4,-2.4 -2,-0.7 3,-1.8 0.841 95.6 66.8 -53.7 -34.6 16.7 9.7 -1.8 109 106 A Y H 3> S+ 0 0 27 -28,-0.5 4,-3.0 1,-0.3 -1,-0.3 0.744 84.2 70.9 -59.7 -27.1 13.2 11.0 -2.4 110 107 A D H <4 S+ 0 0 43 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.777 113.1 29.5 -62.8 -23.1 11.8 8.7 0.4 111 108 A F H X4 S+ 0 0 44 -3,-1.8 3,-1.5 -4,-0.4 4,-0.4 0.777 117.4 57.6 -99.4 -40.6 13.6 11.0 2.8 112 109 A F H >< S+ 0 0 1 -4,-2.4 3,-1.5 1,-0.3 7,-0.2 0.881 100.6 58.7 -58.5 -40.7 13.3 14.2 0.7 113 110 A K T 3< S+ 0 0 86 -4,-3.0 -1,-0.3 1,-0.3 -3,-0.1 0.627 87.6 74.7 -67.8 -12.3 9.5 13.9 0.6 114 111 A Q T < S+ 0 0 121 -3,-1.5 2,-1.3 1,-0.2 -1,-0.3 0.740 85.2 68.5 -71.5 -21.4 9.3 14.0 4.5 115 112 A L S <> S+ 0 0 12 -3,-1.5 4,-2.7 -4,-0.4 3,-0.4 -0.664 70.6 178.0 -96.2 76.4 10.1 17.7 4.2 116 113 A K H > S+ 0 0 165 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.850 74.4 48.9 -48.4 -45.5 6.7 18.5 2.6 117 114 A D H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.866 113.7 44.6 -68.6 -37.2 7.4 22.3 2.4 118 115 A F H > S+ 0 0 0 -3,-0.4 4,-3.3 2,-0.2 5,-0.2 0.865 110.7 54.3 -74.6 -34.7 10.8 22.0 0.9 119 116 A N H X S+ 0 0 19 -4,-2.7 4,-3.0 -7,-0.2 5,-0.2 0.944 112.1 45.9 -60.8 -43.6 9.6 19.4 -1.6 120 117 A A H X S+ 0 0 57 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.948 111.6 51.5 -62.6 -47.9 6.9 21.9 -2.5 121 118 A Y H X S+ 0 0 43 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.932 114.5 43.0 -53.3 -50.3 9.5 24.7 -2.7 122 119 A F H X S+ 0 0 1 -4,-3.3 4,-2.8 2,-0.2 5,-0.2 0.941 115.0 48.7 -61.8 -50.9 11.7 22.6 -5.0 123 120 A K H X S+ 0 0 28 -4,-3.0 4,-2.6 -5,-0.2 5,-0.4 0.892 110.1 50.8 -58.6 -43.7 8.8 21.4 -7.2 124 121 A F H X S+ 0 0 102 -4,-3.0 4,-1.8 -5,-0.2 5,-0.4 0.927 115.2 41.9 -63.1 -44.5 7.4 24.8 -7.7 125 122 A H H X S+ 0 0 45 -4,-1.8 6,-2.2 -5,-0.3 4,-1.3 0.890 118.6 45.0 -70.2 -39.1 10.7 26.3 -8.8 126 123 A E H X S+ 0 0 8 -4,-2.8 4,-1.3 4,-0.3 -2,-0.2 0.975 119.0 40.0 -67.9 -55.5 11.7 23.4 -11.0 127 124 A I H < S+ 0 0 90 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.946 127.7 27.8 -59.5 -55.9 8.4 22.9 -12.7 128 125 A Y H < S+ 0 0 164 -4,-1.8 -3,-0.2 -5,-0.4 -1,-0.2 0.716 134.9 24.2 -86.2 -21.7 7.3 26.5 -13.3 129 126 A F H < S- 0 0 117 -4,-1.3 -3,-0.2 -5,-0.4 -2,-0.2 0.400 92.2-122.5-124.3 2.9 10.6 28.4 -13.5 130 127 A N < + 0 0 128 -4,-1.3 2,-0.6 1,-0.2 -4,-0.3 0.873 64.1 143.0 56.3 36.5 13.2 25.8 -14.6 131 128 A Q - 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