==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-APR-10 2XCU . COMPND 2 MOLECULE: 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR H.SCHMIDT,G.HANSEN,R.HILGENFELD,U.MAMAT,J.R.MESTERS . 1410 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1033 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 238 16.9 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 . 115 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 175 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 411 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 7 5 9 2 5 4 4 5 3 4 4 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 16 22 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 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 . 0 0 0 0 0 8 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 0 A H 0 0 206 0, 0.0 2,-0.2 0, 0.0 828,-0.0 0.000 360.0 360.0 360.0 -23.9 41.5 -1.1 28.2 2 1 A M - 0 0 84 1,-0.0 2,-0.6 57,-0.0 55,-0.1 -0.563 360.0-120.6 -79.5 152.8 38.2 0.1 26.7 3 2 A Q - 0 0 89 53,-0.3 56,-0.2 -2,-0.2 -1,-0.0 -0.863 23.4-173.7 -91.4 121.1 37.3 -1.0 23.2 4 3 A F - 0 0 79 -2,-0.6 -1,-0.1 53,-0.0 5,-0.1 0.708 20.6-150.3 -88.5 -19.0 36.9 2.0 20.9 5 4 A E > + 0 0 21 1,-0.1 4,-2.2 3,-0.1 5,-0.1 0.851 36.2 156.6 58.2 42.4 35.6 -0.1 18.1 6 5 A V H > + 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.912 68.2 52.5 -68.4 -42.5 37.0 2.2 15.4 7 6 A L H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.912 112.2 46.2 -63.1 -43.8 37.2 -0.3 12.7 8 7 A K H 4 S+ 0 0 61 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.858 111.3 51.1 -64.3 -43.6 33.5 -1.2 13.2 9 8 A R H < S+ 0 0 12 -4,-2.2 68,-2.0 1,-0.2 -2,-0.2 0.933 118.0 40.4 -59.6 -39.7 32.4 2.4 13.3 10 9 A F H < S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.841 134.4 19.7 -76.5 -40.2 34.3 3.0 10.0 11 10 A F S < S- 0 0 126 -4,-2.8 -1,-0.3 -5,-0.3 3,-0.1 -0.746 92.0-140.9-134.1 83.2 33.3 -0.2 8.3 12 11 A P - 0 0 0 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.104 34.4 -82.6 -52.1 147.0 30.2 -1.6 10.1 13 12 A K > - 0 0 99 1,-0.1 3,-1.9 -5,-0.1 4,-0.3 -0.153 24.4-135.3 -53.7 130.8 29.9 -5.3 10.6 14 13 A E G > S+ 0 0 93 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.835 102.3 70.3 -49.6 -34.7 28.6 -7.6 7.8 15 14 A S G > S+ 0 0 61 1,-0.3 3,-2.5 2,-0.2 -1,-0.3 0.614 72.7 83.0 -68.6 -12.2 26.5 -9.4 10.4 16 15 A L G X S+ 0 0 6 -3,-1.9 3,-2.2 1,-0.3 -1,-0.3 0.792 76.8 76.0 -53.1 -31.8 24.2 -6.3 10.7 17 16 A K G X S+ 0 0 94 -3,-1.9 3,-0.9 -4,-0.3 -1,-0.3 0.721 85.1 60.5 -46.0 -29.3 22.7 -7.9 7.6 18 17 A N G < S+ 0 0 130 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.382 97.6 60.6 -86.4 6.8 21.1 -10.4 10.0 19 18 A a G X S+ 0 0 1 -3,-2.2 3,-1.5 70,-0.2 -1,-0.2 0.236 75.8 157.4-113.7 14.3 19.3 -7.6 11.6 20 19 A K T < + 0 0 87 -3,-0.9 71,-0.2 1,-0.2 70,-0.1 -0.029 64.5 13.8 -45.3 130.9 17.4 -6.5 8.4 21 20 A G T 3 S+ 0 0 30 69,-1.3 -1,-0.2 70,-0.7 27,-0.2 0.522 90.2 147.9 84.0 6.0 14.2 -4.5 9.0 22 21 A A < - 0 0 0 -3,-1.5 71,-2.2 68,-0.6 72,-0.6 -0.208 57.2-107.1 -67.5 158.0 14.8 -3.7 12.7 23 22 A L E -ab 49 94A 0 25,-3.1 27,-3.0 69,-0.2 2,-0.6 -0.838 38.4-142.0 -79.8 122.1 13.8 -0.6 14.6 24 23 A W E -ab 50 95A 0 70,-2.9 72,-2.8 -2,-0.6 2,-0.5 -0.827 19.6-174.1 -96.8 118.1 17.1 1.3 15.1 25 24 A V E -ab 51 96A 0 25,-2.7 27,-2.7 -2,-0.6 2,-0.6 -0.959 8.1-157.9-112.8 126.4 17.4 3.1 18.5 26 25 A H E +ab 52 97A 0 70,-3.2 72,-2.3 -2,-0.5 2,-0.5 -0.926 14.4 174.1-110.1 117.1 20.4 5.3 19.1 27 26 A T - 0 0 0 25,-2.4 27,-0.4 -2,-0.6 6,-0.1 -0.953 22.0-151.5-118.8 110.1 21.4 6.0 22.7 28 27 A A - 0 0 11 -2,-0.5 27,-3.1 70,-0.4 26,-2.2 0.873 68.9 -31.9 -48.4 -44.5 24.7 8.0 22.9 29 28 A S S > S- 0 0 29 25,-0.2 4,-1.9 24,-0.2 5,-0.1 -0.784 86.6 -55.6-157.8-166.8 25.6 6.5 26.3 30 29 A I H > S+ 0 0 52 -2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.901 124.7 55.2 -57.6 -49.7 24.4 5.2 29.6 31 30 A G H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.910 110.8 44.8 -46.8 -53.0 22.3 8.3 30.5 32 31 A E H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.866 111.7 52.2 -65.9 -36.8 20.4 8.2 27.3 33 32 A F H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.954 112.3 44.8 -65.6 -50.6 19.7 4.4 27.5 34 33 A N H < S+ 0 0 54 -4,-2.7 3,-0.2 2,-0.2 -2,-0.2 0.905 111.6 54.2 -58.8 -46.7 18.3 4.6 31.0 35 34 A T H < S+ 0 0 17 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.937 117.5 35.5 -49.3 -50.5 16.2 7.7 30.0 36 35 A F H >X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 3,-1.9 0.636 88.7 99.6 -84.4 -15.2 14.7 5.8 27.1 37 36 A L H 3X S+ 0 0 12 -4,-1.5 4,-2.9 1,-0.3 5,-0.2 0.843 77.5 57.3 -45.7 -42.8 14.5 2.4 28.8 38 37 A P H 3> S+ 0 0 7 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.816 113.0 40.3 -65.5 -24.3 10.8 2.7 29.7 39 38 A I H X> S+ 0 0 0 -3,-1.9 4,-2.6 -4,-0.2 3,-0.6 0.894 113.8 53.7 -80.6 -43.2 9.8 3.3 26.0 40 39 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 5,-0.2 0.941 100.5 61.1 -56.8 -52.4 12.3 0.6 24.8 41 40 A K H 3< S+ 0 0 92 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.836 113.6 37.1 -32.0 -50.7 10.7 -2.0 27.1 42 41 A E H X< S+ 0 0 54 -4,-0.6 3,-0.8 -3,-0.6 4,-0.4 0.842 115.1 51.1 -79.9 -36.5 7.4 -1.5 25.3 43 42 A L H >X S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 4,-1.1 0.875 98.0 69.2 -72.4 -31.9 8.7 -1.1 21.8 44 43 A K T 3< S+ 0 0 60 -4,-3.5 -1,-0.2 1,-0.3 3,-0.2 0.796 92.7 60.5 -50.8 -29.5 10.8 -4.2 22.2 45 44 A R T <4 S+ 0 0 162 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.701 114.1 31.6 -77.3 -18.8 7.5 -6.2 22.2 46 45 A E T <4 S+ 0 0 73 -3,-1.9 2,-0.4 -4,-0.4 -1,-0.2 0.441 120.5 41.8-115.3 -5.0 6.5 -5.1 18.7 47 46 A H S < S- 0 0 26 -4,-1.1 2,-0.2 -3,-0.2 -1,-0.2 -0.999 74.2-115.2-148.6 140.6 9.8 -4.7 17.0 48 47 A R - 0 0 111 -2,-0.4 -25,-3.1 -27,-0.2 2,-0.5 -0.565 44.1-136.0 -62.2 140.2 13.2 -6.2 16.5 49 48 A I E -a 23 0A 0 -2,-0.2 22,-2.4 -27,-0.2 21,-2.2 -0.940 21.3-169.3-116.5 122.0 15.7 -3.7 18.0 50 49 A L E -ac 24 71A 0 -27,-3.0 -25,-2.7 -2,-0.5 2,-0.6 -0.943 21.7-161.7-102.9 108.6 19.0 -2.6 16.6 51 50 A L E +ac 25 72A 0 20,-3.3 22,-2.6 -2,-0.7 2,-0.3 -0.850 11.8 178.9-101.3 120.4 20.7 -0.6 19.4 52 51 A T E -ac 26 73A 0 -27,-2.7 -25,-2.4 -2,-0.6 2,-0.3 -0.791 2.2-176.9-113.0 164.7 23.6 1.7 18.7 53 52 A Y E - c 0 74A 2 20,-0.5 22,-2.4 -2,-0.3 -25,-0.3 -0.954 20.5-151.4-153.6 157.4 25.6 3.9 21.2 54 53 A F S S+ 0 0 47 -26,-2.2 -25,-0.2 -27,-0.4 -26,-0.1 0.797 71.7 78.4-106.3 -43.0 28.4 6.5 20.8 55 54 A S >> - 0 0 27 -27,-3.1 3,-1.5 1,-0.1 4,-0.5 -0.518 67.0-145.2 -74.6 129.6 30.4 6.3 24.1 56 55 A P H >> S+ 0 0 26 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.797 101.8 67.2 -59.9 -27.4 32.8 3.4 24.4 57 56 A R H 3> S+ 0 0 178 1,-0.2 4,-0.8 2,-0.1 3,-0.2 0.804 92.8 60.6 -55.6 -33.9 31.8 3.5 28.1 58 57 A A H <> S+ 0 0 0 -3,-1.5 4,-2.8 -30,-0.2 5,-0.2 0.777 85.0 76.9 -70.7 -24.3 28.4 2.4 27.1 59 58 A R H < S+ 0 0 64 -4,-0.8 3,-1.6 1,-0.2 -1,-0.2 0.956 111.8 48.8 -54.8 -53.9 26.8 -1.7 30.4 62 61 A L H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.706 98.4 68.4 -65.2 -22.1 24.6 -2.4 27.4 63 62 A K H >< S+ 0 0 108 -4,-1.7 3,-0.8 -3,-0.5 -1,-0.3 0.833 98.0 54.0 -64.4 -29.2 26.0 -5.9 27.1 64 63 A T T << S+ 0 0 97 -3,-1.6 -1,-0.3 -4,-0.9 -2,-0.2 0.333 101.1 61.9 -82.3 6.9 24.2 -6.6 30.3 65 64 A K T X + 0 0 55 -3,-1.6 3,-3.0 1,-0.1 4,-0.3 0.110 57.1 130.7-124.3 21.1 20.9 -5.3 28.8 66 65 A S T < + 0 0 70 -3,-0.8 3,-0.4 1,-0.3 -1,-0.1 0.522 63.4 72.8 -52.7 -9.9 20.5 -7.9 25.9 67 66 A D T 3 S+ 0 0 132 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.777 96.3 51.0 -72.8 -24.6 16.9 -8.4 27.0 68 67 A F S < S+ 0 0 37 -3,-3.0 2,-0.3 2,-0.0 -2,-0.2 0.476 114.2 34.0 -97.0 -0.7 16.1 -5.0 25.6 69 68 A Y - 0 0 21 -3,-0.4 -19,-0.1 -4,-0.3 3,-0.1 -0.967 51.9-149.7-148.3 166.3 17.6 -5.4 22.1 70 69 A D S S+ 0 0 78 -21,-2.2 2,-0.3 1,-0.3 -20,-0.2 0.753 88.0 24.9-104.3 -37.2 18.3 -7.8 19.3 71 70 A a E -c 50 0A 33 -22,-2.4 -20,-3.3 -52,-0.1 2,-0.4 -0.980 63.1-160.1-133.4 147.3 21.5 -6.3 17.8 72 71 A L E +c 51 0A 49 -2,-0.3 -20,-0.2 -22,-0.2 -22,-0.0 -0.994 23.3 151.3-129.2 125.0 24.1 -4.2 19.4 73 72 A H E -c 52 0A 6 -22,-2.6 -20,-0.5 -2,-0.4 2,-0.1 -0.984 44.0-106.8-154.1 142.4 26.5 -2.0 17.3 74 73 A P E -c 53 0A 1 0, 0.0 -20,-0.2 0, 0.0 3,-0.1 -0.446 50.8 -93.7 -65.8 147.0 28.5 1.2 17.7 75 74 A L - 0 0 1 -22,-2.4 3,-0.1 1,-0.1 8,-0.1 -0.331 50.8-102.7 -54.2 134.9 27.2 4.2 15.8 76 75 A P - 0 0 6 0, 0.0 -66,-0.2 0, 0.0 -67,-0.2 -0.281 42.9 -91.1 -56.9 148.8 28.9 4.4 12.5 77 76 A L - 0 0 8 -68,-2.0 2,-2.2 -71,-0.2 6,-0.2 -0.193 48.1 -99.6 -55.7 152.8 31.6 7.1 12.1 78 77 A D S S+ 0 0 7 4,-0.1 -1,-0.1 -3,-0.1 27,-0.1 -0.389 86.5 106.9 -88.6 67.9 30.3 10.4 10.7 79 78 A N S > S- 0 0 7 -2,-2.2 4,-2.4 707,-0.1 3,-0.4 -0.976 78.4-115.8-136.2 145.8 31.2 10.0 7.1 80 79 A P H > S+ 0 0 33 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.839 112.3 50.0 -55.2 -38.8 28.8 9.3 4.3 81 80 A F H > S+ 0 0 178 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.890 111.8 45.3 -68.5 -41.0 30.2 5.9 3.4 82 81 A S H > S+ 0 0 3 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.898 115.4 48.6 -68.1 -41.5 30.3 4.5 6.9 83 82 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 -6,-0.2 -2,-0.2 0.916 115.0 44.2 -63.9 -46.4 26.7 5.8 7.6 84 83 A K H X S+ 0 0 54 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.878 109.1 54.6 -71.5 -37.7 25.4 4.4 4.3 85 84 A R H X S+ 0 0 51 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.956 110.7 49.5 -60.2 -43.5 27.2 0.9 4.7 86 85 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.938 114.9 43.2 -54.5 -51.1 25.5 0.7 8.1 87 86 A E H X S+ 0 0 14 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.879 112.8 51.8 -62.7 -44.6 22.1 1.6 6.6 88 87 A E H < S+ 0 0 97 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 113.0 44.3 -62.3 -41.1 22.5 -0.7 3.6 89 88 A L H < S+ 0 0 13 -4,-2.3 -2,-0.2 -5,-0.2 -70,-0.2 0.914 122.2 35.2 -74.7 -42.7 23.4 -3.8 5.7 90 89 A S H < S- 0 0 0 -4,-2.1 -69,-1.3 -5,-0.2 -68,-0.6 0.601 81.6-156.0 -95.0 -17.1 20.7 -3.4 8.3 91 90 A K < - 0 0 101 -4,-2.2 -70,-0.7 -71,-0.2 -3,-0.1 0.856 22.2-161.1 43.3 54.9 17.8 -1.9 6.3 92 91 A P - 0 0 15 0, 0.0 -69,-0.2 0, 0.0 3,-0.1 -0.236 22.2-144.8 -68.8 153.9 16.1 -0.3 9.3 93 92 A K S S- 0 0 86 -71,-2.2 2,-0.3 1,-0.4 -70,-0.2 0.695 80.2 -11.2 -89.0 -23.9 12.5 0.7 9.3 94 93 A A E -b 23 0A 1 -72,-0.6 -70,-2.9 18,-0.1 2,-0.4 -0.947 58.9-136.0-168.2 157.3 13.1 3.9 11.4 95 94 A L E -bd 24 114A 0 18,-2.1 20,-3.0 -2,-0.3 2,-0.6 -0.998 12.5-162.1-125.5 125.1 15.7 5.4 13.6 96 95 A I E -bd 25 115A 0 -72,-2.8 -70,-3.2 -2,-0.4 2,-0.6 -0.971 7.8-159.5-109.9 117.0 14.9 6.9 17.0 97 96 A V E -bd 26 116A 0 18,-3.5 20,-2.5 -2,-0.6 2,-0.6 -0.886 13.6-138.1 -97.7 117.0 17.6 9.3 18.2 98 97 A V E - d 0 117A 0 -72,-2.3 2,-1.5 -2,-0.6 -70,-0.4 -0.654 68.1 -27.1 -77.8 115.8 17.4 9.8 22.0 99 98 A E S S- 0 0 14 18,-3.0 21,-0.4 -2,-0.6 -1,-0.1 -0.409 116.8 -40.0 91.2 -63.3 17.9 13.4 23.1 100 99 A R + 0 0 21 -2,-1.5 3,-0.2 19,-0.1 -1,-0.2 0.105 54.9 163.1-164.2 -76.9 20.1 15.2 20.4 101 100 A E - 0 0 31 1,-0.2 2,-2.5 -3,-0.1 -2,-0.1 0.884 23.9-168.6 38.4 53.2 23.0 13.4 18.8 102 101 A F + 0 0 10 4,-0.1 -1,-0.2 5,-0.0 29,-0.0 -0.473 17.3 166.5 -71.3 69.0 23.1 16.0 16.0 103 102 A W > - 0 0 35 -2,-2.5 4,-2.8 -3,-0.2 5,-0.2 -0.792 22.4-158.9 -81.8 107.9 25.5 13.9 13.8 104 103 A P H > S+ 0 0 1 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.881 86.2 45.9 -66.4 -45.8 25.3 15.6 10.4 105 104 A S H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.944 116.2 51.1 -60.5 -38.8 26.5 12.8 8.0 106 105 A L H > S+ 0 0 1 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.951 117.0 38.4 -52.7 -53.6 24.2 10.5 10.0 107 106 A I H < S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.947 122.5 41.1 -69.6 -43.3 21.3 12.9 9.6 108 107 A I H < S+ 0 0 60 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.850 117.9 41.3 -74.1 -38.0 22.0 14.0 6.0 109 108 A F H < S+ 0 0 90 -4,-2.6 2,-0.3 -5,-0.3 -1,-0.2 0.711 92.3 85.3 -97.4 -16.2 23.0 10.7 4.3 110 109 A T < - 0 0 7 -4,-1.2 -26,-0.1 -5,-0.4 4,-0.1 -0.610 55.4-159.1 -84.3 146.0 20.6 8.1 5.7 111 110 A K + 0 0 181 -2,-0.3 -1,-0.1 -27,-0.1 3,-0.1 0.631 56.3 116.5 -91.6 -22.5 17.3 7.6 4.0 112 111 A V S S- 0 0 6 1,-0.1 -18,-0.1 -18,-0.1 -19,-0.1 -0.190 81.0-101.5 -49.7 133.2 15.7 5.9 7.0 113 112 A P - 0 0 50 0, 0.0 -18,-2.1 0, 0.0 2,-0.4 -0.401 45.9-145.1 -56.2 134.6 12.8 7.8 8.5 114 113 A K E -d 95 0A 10 19,-0.3 21,-2.0 -20,-0.2 22,-1.3 -0.885 16.8-167.7-117.8 135.5 14.3 9.6 11.6 115 114 A I E -de 96 136A 0 -20,-3.0 -18,-3.5 -2,-0.4 2,-0.5 -0.996 5.8-158.0-125.1 132.8 12.6 10.3 14.9 116 115 A L E -de 97 137A 1 20,-2.6 22,-3.0 -2,-0.4 2,-0.4 -0.936 14.3-166.8-110.2 129.2 14.0 12.6 17.6 117 116 A V E +de 98 138A 0 -20,-2.5 -18,-3.0 -2,-0.5 22,-0.2 -0.922 60.7 5.7-125.6 143.9 12.9 12.2 21.2 118 117 A N E S+ 0 0 0 20,-1.1 21,-0.3 -2,-0.4 -1,-0.2 0.752 85.7 162.0 65.5 26.0 13.2 14.3 24.4 119 118 A A E - 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0 0 35 1,-0.2 2,-2.7 -3,-0.1 -1,-0.1 0.867 23.2-165.7 50.4 49.8 -24.1 -15.9 16.4 1162 101 D F + 0 0 11 4,-0.1 -1,-0.2 5,-0.0 29,-0.0 -0.425 16.8 169.5 -67.5 68.9 -24.8 -18.1 13.4 1163 102 D W > - 0 0 37 -2,-2.7 4,-2.3 -3,-0.2 5,-0.2 -0.769 21.9-155.9 -74.5 111.3 -26.6 -15.4 11.4 1164 103 D P H > S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.4 0.896 85.6 46.5 -67.4 -43.4 -26.9 -17.1 7.9 1165 104 D S H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.917 114.2 51.6 -61.6 -36.6 -27.2 -14.1 5.5 1166 105 D L H > S+ 0 0 2 2,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.952 117.0 37.7 -62.2 -48.3 -24.3 -12.5 7.4 1167 106 D I H < S+ 0 0 2 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.969 121.8 41.7 -70.7 -49.5 -22.1 -15.6 7.0 1168 107 D I H < S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.777 119.3 43.6 -68.6 -31.2 -23.1 -16.6 3.5 1169 108 D F H < S+ 0 0 87 -4,-2.0 2,-0.3 -5,-0.4 -1,-0.2 0.674 91.8 83.2-100.4 -14.3 -23.2 -13.2 2.0 1170 109 D T < - 0 0 7 -4,-1.3 4,-0.1 -3,-0.2 -26,-0.1 -0.660 54.8-158.7 -91.4 145.8 -20.1 -11.3 3.2 1171 110 D K + 0 0 184 -2,-0.3 -1,-0.1 -27,-0.1 3,-0.1 0.690 58.5 115.8 -87.1 -24.6 -16.7 -11.8 1.4 1172 111 D V S S- 0 0 7 1,-0.1 -18,-0.1 -18,-0.1 -19,-0.1 -0.056 81.1-100.8 -47.5 136.3 -14.8 -10.6 4.5 1173 112 D P - 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