==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-OCT-09 3K9W . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.1 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 . 1 0.6 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 0 1 0 1 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 1 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 . 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 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 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 G 0 0 141 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.0 -36.2 62.0 -7.2 2 0 A S - 0 0 78 2,-0.0 2,-0.6 0, 0.0 29,-0.1 -0.964 360.0-117.4-146.7 162.3 -35.7 58.4 -5.9 3 1 A M - 0 0 140 -2,-0.3 2,-0.5 27,-0.1 27,-0.1 -0.925 35.0-179.4-103.6 112.4 -32.9 56.1 -4.9 4 2 A V - 0 0 22 -2,-0.6 27,-1.3 80,-0.1 28,-1.2 -0.964 10.1-163.6-118.2 122.4 -32.8 53.1 -7.1 5 3 A V E -a 32 0A 23 -2,-0.5 80,-2.1 78,-0.5 81,-1.2 -0.876 8.1-167.4-100.4 133.8 -30.2 50.3 -6.7 6 4 A A E -ab 33 86A 0 26,-2.2 28,-3.1 -2,-0.4 2,-0.4 -0.936 10.9-144.0-117.9 148.1 -29.6 47.8 -9.5 7 5 A V E -ab 34 87A 0 79,-2.5 81,-2.9 -2,-0.4 28,-0.2 -0.938 5.5-164.8-109.0 133.0 -27.7 44.5 -9.5 8 6 A Y E -a 35 0A 13 26,-2.9 28,-1.8 -2,-0.4 2,-0.2 -0.925 22.7-170.4-113.3 98.4 -25.6 43.4 -12.5 9 7 A P E +a 36 0A 6 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.627 18.8 129.5 -95.9 152.7 -25.0 39.7 -11.8 10 8 A G E -a 37 0A 13 26,-2.2 28,-2.6 -2,-0.2 -2,-0.0 -0.979 62.3-107.7-178.1 172.7 -22.7 37.3 -13.6 11 9 A T - 0 0 20 -2,-0.3 -1,-0.1 26,-0.2 4,-0.1 0.827 42.4-163.2 -82.3 -35.7 -19.9 34.8 -13.3 12 10 A F > - 0 0 9 2,-0.2 3,-0.6 1,-0.2 44,-0.1 0.941 7.5-173.7 52.9 59.1 -17.4 37.3 -14.7 13 11 A D T 3 S- 0 0 13 1,-0.6 33,-0.2 33,-0.0 -1,-0.2 -0.634 86.3 -12.3-116.2 69.8 -14.8 34.7 -15.6 14 12 A P T 3 S- 0 0 1 0, 0.0 -1,-0.6 0, 0.0 2,-0.2 0.651 90.7-111.9 -98.3 179.5 -13.1 37.1 -16.2 15 13 A L < - 0 0 2 -3,-0.6 133,-0.3 37,-0.2 2,-0.2 -0.495 42.7-160.3 -58.8 124.7 -14.6 40.6 -16.5 16 14 A T > - 0 0 6 -2,-0.2 4,-2.2 131,-0.1 131,-0.3 -0.502 34.4 -99.5-102.8 176.3 -14.4 41.6 -20.2 17 15 A R H > S+ 0 0 49 129,-2.8 4,-1.9 1,-0.2 130,-0.1 0.796 124.1 58.6 -65.1 -28.2 -14.5 44.9 -22.0 18 16 A G H > S+ 0 0 12 128,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.941 107.3 45.2 -64.3 -48.3 -18.2 44.1 -22.8 19 17 A H H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.904 111.5 52.6 -60.8 -44.8 -19.0 43.8 -19.1 20 18 A E H X S+ 0 0 20 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.894 107.8 51.0 -60.3 -39.7 -17.1 47.0 -18.2 21 19 A D H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.902 109.1 51.2 -65.5 -37.9 -19.0 48.9 -20.9 22 20 A L H X S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.903 110.0 50.2 -65.3 -40.2 -22.3 47.6 -19.4 23 21 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.942 109.9 50.2 -63.1 -45.2 -21.1 48.8 -15.9 24 22 A R H X S+ 0 0 101 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.945 116.0 42.4 -55.5 -50.0 -20.3 52.2 -17.3 25 23 A R H >X S+ 0 0 79 -4,-2.5 3,-0.7 1,-0.2 4,-0.5 0.935 116.7 45.6 -65.0 -48.0 -23.7 52.6 -18.9 26 24 A A H >X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 3,-1.0 0.856 108.7 55.8 -66.0 -37.4 -25.8 51.1 -16.0 27 25 A S H 3< S+ 0 0 12 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.671 101.2 59.7 -72.8 -14.3 -24.0 53.1 -13.4 28 26 A S H << S+ 0 0 90 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.662 113.4 37.4 -81.0 -18.6 -24.8 56.3 -15.3 29 27 A I H << S+ 0 0 114 -3,-1.0 2,-0.2 -4,-0.5 -2,-0.2 0.830 110.8 59.2 -98.9 -44.9 -28.6 55.5 -14.9 30 28 A F S < S- 0 0 23 -4,-2.4 3,-0.1 1,-0.1 -25,-0.1 -0.582 75.1-130.5 -95.6 151.6 -28.8 54.0 -11.4 31 29 A D S S+ 0 0 70 -27,-1.3 2,-0.4 1,-0.3 -26,-0.2 0.910 98.2 12.1 -64.9 -41.6 -27.9 55.6 -8.1 32 30 A T E -a 5 0A 38 -28,-1.2 -26,-2.2 2,-0.0 2,-0.5 -0.997 67.8-159.8-134.5 136.2 -25.9 52.5 -7.1 33 31 A L E -ac 6 66A 0 32,-2.6 34,-2.3 -2,-0.4 2,-0.6 -0.979 7.9-160.4-114.6 118.7 -24.9 49.6 -9.3 34 32 A V E -ac 7 67A 0 -28,-3.1 -26,-2.9 -2,-0.5 2,-0.8 -0.877 6.7-152.1 -99.0 118.0 -23.9 46.4 -7.4 35 33 A V E -ac 8 68A 0 32,-3.5 34,-2.8 -2,-0.6 2,-0.7 -0.827 15.1-158.5 -89.2 112.2 -21.8 44.1 -9.5 36 34 A G E -ac 9 69A 0 -28,-1.8 -26,-2.2 -2,-0.8 2,-0.8 -0.863 4.7-160.4-100.2 112.6 -22.7 40.6 -8.1 37 35 A V E -ac 10 70A 0 32,-2.8 34,-2.1 -2,-0.7 2,-0.2 -0.833 14.0-147.7 -95.9 108.8 -20.1 38.0 -8.8 38 36 A A E - c 0 71A 16 -28,-2.6 34,-0.2 -2,-0.8 36,-0.0 -0.549 14.5-133.0 -77.1 139.5 -21.7 34.6 -8.4 39 37 A D - 0 0 42 32,-2.3 -1,-0.1 -2,-0.2 33,-0.1 0.919 31.1-173.3 -55.5 -46.1 -19.6 31.7 -7.1 40 38 A S > + 0 0 27 1,-0.1 3,-1.7 4,-0.1 4,-0.4 0.845 10.3 172.0 54.8 42.2 -21.0 29.5 -10.0 41 39 A R G > S+ 0 0 192 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.835 71.4 54.9 -46.1 -45.6 -19.3 26.3 -8.7 42 40 A A G 3 S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.655 98.8 61.9 -71.0 -17.3 -21.1 24.1 -11.2 43 41 A K G < S- 0 0 113 -3,-1.7 -1,-0.3 -4,-0.0 -2,-0.2 0.502 102.9-133.9 -84.7 -6.2 -19.9 26.1 -14.1 44 42 A K < - 0 0 184 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.953 25.8-149.2 52.0 63.3 -16.4 25.2 -13.1 45 43 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.243 13.7-133.9 -65.1 150.6 -15.0 28.7 -13.5 46 44 A F S S+ 0 0 43 -33,-0.2 2,-0.3 2,-0.1 -2,-0.0 0.934 93.2 47.9 -67.9 -47.1 -11.3 29.2 -14.5 47 45 A F S S- 0 0 1 1,-0.1 108,-0.0 2,-0.0 107,-0.0 -0.734 92.2-115.8 -93.5 144.0 -10.7 31.8 -11.8 48 46 A S > - 0 0 53 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.233 32.9-104.8 -65.1 163.4 -11.7 31.3 -8.2 49 47 A L H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 123.5 52.8 -57.2 -43.3 -14.4 33.7 -6.7 50 48 A E H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 111.8 46.3 -58.8 -44.0 -11.7 35.5 -4.8 51 49 A E H > S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.918 110.5 51.6 -64.3 -45.1 -9.7 36.0 -8.0 52 50 A R H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.887 109.9 50.5 -63.1 -36.5 -12.8 37.1 -10.0 53 51 A L H X S+ 0 0 38 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.919 111.7 47.1 -63.8 -44.8 -13.5 39.7 -7.3 54 52 A K H X S+ 0 0 97 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 112.5 50.4 -62.1 -42.8 -10.0 41.0 -7.4 55 53 A I H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.947 114.1 43.8 -61.7 -48.4 -10.0 41.1 -11.2 56 54 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.886 111.6 53.2 -66.2 -39.6 -13.3 43.1 -11.2 57 55 A N H X S+ 0 0 78 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.871 105.1 55.6 -63.6 -37.5 -12.3 45.5 -8.4 58 56 A E H < S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 116.9 35.4 -60.7 -39.9 -9.1 46.4 -10.3 59 57 A V H < S+ 0 0 11 -4,-1.4 3,-0.2 -5,-0.2 -2,-0.2 0.869 129.0 31.9 -81.5 -37.8 -11.1 47.4 -13.4 60 58 A L H >< S+ 0 0 1 -4,-2.7 3,-1.9 1,-0.2 -3,-0.2 0.536 85.9 97.7-104.6 -10.7 -14.2 48.9 -11.7 61 59 A G T 3< S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.3 5,-0.1 0.751 76.9 63.5 -52.8 -31.8 -12.9 50.4 -8.5 62 60 A H T 3 S+ 0 0 130 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.715 77.9 96.0 -71.2 -21.3 -12.7 53.9 -9.9 63 61 A Y X - 0 0 32 -3,-1.9 3,-1.5 1,-0.1 -3,-0.0 -0.611 68.1-151.9 -72.5 116.1 -16.5 54.1 -10.5 64 62 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.732 89.7 41.0 -67.5 -25.4 -17.8 56.0 -7.4 65 63 A N T 3 S+ 0 0 43 -35,-0.1 -32,-2.6 -38,-0.0 2,-0.5 0.099 94.2 99.5-109.6 20.7 -21.3 54.4 -7.3 66 64 A V E < -c 33 0A 18 -3,-1.5 2,-0.4 -34,-0.2 -32,-0.2 -0.930 49.7-169.4-110.3 129.9 -20.3 50.9 -8.2 67 65 A K E -c 34 0A 113 -34,-2.3 -32,-3.5 -2,-0.5 2,-0.5 -0.971 8.6-154.0-115.6 132.9 -19.9 48.1 -5.6 68 66 A V E +c 35 0A 21 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.941 25.5 163.5-108.4 121.3 -18.3 44.8 -6.4 69 67 A M E -c 36 0A 66 -34,-2.8 -32,-2.8 -2,-0.5 2,-0.2 -0.998 28.3-136.0-140.6 142.4 -19.5 41.9 -4.2 70 68 A G E -c 37 0A 30 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.540 18.4-169.2 -88.7 159.7 -19.4 38.1 -4.3 71 69 A F E -c 38 0A 26 -34,-2.1 -32,-2.3 -2,-0.2 4,-0.1 -0.969 20.2-170.7-152.4 144.2 -22.3 35.8 -3.5 72 70 A T S S+ 0 0 119 -2,-0.3 -31,-0.1 -34,-0.2 3,-0.1 0.424 71.5 51.7-110.3 -5.1 -22.6 32.0 -3.0 73 71 A G S S- 0 0 51 1,-0.2 2,-0.2 2,-0.0 -34,-0.1 -0.064 100.1 -30.5-112.8-147.6 -26.3 31.6 -2.8 74 72 A L > - 0 0 105 1,-0.1 4,-1.7 -2,-0.1 3,-0.3 -0.479 42.3-135.0 -77.4 141.4 -29.4 32.6 -4.7 75 73 A L H > S+ 0 0 27 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.894 106.6 63.6 -57.2 -41.6 -29.5 35.8 -6.8 76 74 A K H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 105.1 44.7 -46.4 -49.3 -33.0 36.4 -5.2 77 75 A D H > S+ 0 0 87 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.879 112.2 51.0 -69.9 -35.5 -31.4 36.7 -1.8 78 76 A F H X S+ 0 0 16 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.894 110.6 49.4 -68.2 -41.7 -28.5 38.9 -3.1 79 77 A V H ><>S+ 0 0 0 -4,-3.1 5,-2.2 2,-0.2 3,-0.5 0.949 112.9 46.2 -60.8 -50.3 -31.0 41.3 -4.8 80 78 A R H ><5S+ 0 0 103 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.896 109.1 56.6 -59.4 -40.7 -33.1 41.5 -1.6 81 79 A A H 3<5S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 109.1 45.6 -61.0 -32.7 -30.0 42.0 0.5 82 80 A N T <<5S- 0 0 21 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.299 109.2-121.9 -95.1 8.0 -29.0 45.0 -1.6 83 81 A D T < 5 + 0 0 135 -3,-1.6 -78,-0.5 1,-0.2 2,-0.3 0.839 54.1 170.4 55.0 35.6 -32.5 46.6 -1.6 84 82 A A < - 0 0 5 -5,-2.2 -1,-0.2 -6,-0.2 -78,-0.2 -0.586 33.1-174.8 -85.6 138.5 -32.3 46.4 -5.4 85 83 A R S S+ 0 0 133 -80,-2.1 30,-2.3 -2,-0.3 2,-0.4 0.521 71.3 49.6-101.4 -9.3 -35.3 47.1 -7.6 86 84 A V E -bd 6 115A 10 -81,-1.2 -79,-2.5 28,-0.2 2,-0.5 -0.987 57.3-157.7-136.8 138.2 -33.6 46.2 -10.8 87 85 A I E -bd 7 116A 1 28,-2.4 30,-2.8 -2,-0.4 2,-0.4 -0.989 23.8-155.5-106.0 118.6 -31.6 43.3 -12.2 88 86 A V E + d 0 117A 0 -81,-2.9 2,-0.3 -2,-0.5 30,-0.2 -0.836 15.2 177.5 -96.0 133.9 -29.5 44.6 -15.2 89 87 A R E - d 0 118A 30 28,-2.1 30,-2.6 -2,-0.4 2,-0.3 -0.974 29.6-118.0-129.9 148.8 -28.3 42.2 -17.8 90 88 A G E - d 0 119A 18 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.664 27.4-168.4 -80.3 137.2 -26.4 42.8 -21.1 91 89 A L + 0 0 30 28,-2.9 2,-0.3 -2,-0.3 35,-0.0 -0.998 8.7 176.8-128.4 128.3 -28.3 41.8 -24.2 92 90 A R > - 0 0 66 -2,-0.4 3,-1.9 28,-0.1 35,-0.0 -0.808 47.3-104.2-123.8 165.2 -26.4 41.7 -27.4 93 91 A A T 3 S+ 0 0 71 -2,-0.3 4,-0.1 1,-0.3 34,-0.1 0.785 125.9 43.8 -61.8 -24.1 -27.5 40.7 -30.9 94 92 A V T 3 S+ 0 0 72 32,-0.4 -1,-0.3 2,-0.1 2,-0.0 -0.025 87.8 132.2-109.7 28.8 -25.6 37.4 -30.3 95 93 A S S < S- 0 0 14 -3,-1.9 2,-1.6 1,-0.1 3,-0.2 -0.335 73.4-103.5 -72.4 159.9 -26.8 36.8 -26.7 96 94 A D > + 0 0 89 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.693 46.6 180.0 -78.8 87.2 -28.1 33.4 -25.5 97 95 A F H > S+ 0 0 78 -2,-1.6 4,-2.6 1,-0.2 5,-0.3 0.863 74.4 56.2 -64.1 -38.5 -31.7 34.7 -25.7 98 96 A E H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.959 111.5 44.5 -53.1 -52.3 -33.2 31.5 -24.5 99 97 A Y H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.911 114.0 48.5 -61.5 -48.2 -31.0 31.6 -21.3 100 98 A E H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.903 114.2 44.1 -63.4 -42.2 -31.7 35.3 -20.7 101 99 A F H X S+ 0 0 103 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.830 112.3 53.0 -77.3 -30.5 -35.4 35.2 -21.0 102 100 A Q H X S+ 0 0 107 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.943 111.8 45.8 -64.8 -47.4 -35.7 32.0 -19.0 103 101 A M H X S+ 0 0 34 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.936 114.3 48.0 -60.0 -46.7 -33.7 33.6 -16.1 104 102 A A H X S+ 0 0 5 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.927 113.7 47.6 -61.8 -42.6 -35.8 36.8 -16.4 105 103 A G H X S+ 0 0 15 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.886 115.5 44.0 -65.8 -40.5 -39.1 34.8 -16.4 106 104 A M H >X S+ 0 0 129 -4,-2.6 4,-1.9 1,-0.2 3,-0.9 0.880 111.7 51.7 -74.4 -37.9 -38.0 32.6 -13.5 107 105 A N H 3X S+ 0 0 19 -4,-3.0 4,-3.1 -5,-0.2 -1,-0.2 0.804 102.4 63.8 -64.2 -28.1 -36.7 35.5 -11.4 108 106 A R H 3< S+ 0 0 167 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.670 106.3 43.4 -62.4 -30.1 -40.1 37.1 -12.1 109 107 A Y H << S+ 0 0 206 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.818 118.9 42.9 -81.8 -41.4 -41.7 34.3 -10.1 110 108 A L H < S+ 0 0 84 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.811 132.2 20.9 -75.0 -31.9 -39.0 34.5 -7.4 111 109 A L >< + 0 0 0 -4,-3.1 3,-2.1 -5,-0.1 -1,-0.2 -0.643 67.8 173.6-139.2 72.3 -39.0 38.4 -7.2 112 110 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.799 80.6 49.1 -60.1 -29.7 -42.2 39.7 -8.7 113 111 A D T 3 S+ 0 0 88 2,-0.1 2,-0.5 -27,-0.0 -5,-0.1 0.367 94.5 87.6 -90.6 2.0 -41.5 43.3 -7.7 114 112 A V < - 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0 0 27 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.3 -0.676 54.7-105.6 -99.2 150.9 -3.0 34.0 -27.5 142 140 A D - 0 0 102 -2,-0.3 3,-0.2 1,-0.1 -1,-0.0 -0.608 28.9-179.4 -81.0 135.1 -3.4 37.7 -26.7 143 141 A V >> + 0 0 0 -2,-0.3 3,-2.1 1,-0.1 4,-1.7 0.057 42.9 121.3-116.9 18.3 -6.8 38.8 -25.6 144 142 A S T 34 S+ 0 0 54 1,-0.3 -1,-0.1 2,-0.2 8,-0.1 0.726 72.0 58.5 -57.6 -27.4 -6.0 42.6 -25.1 145 143 A K T 34 S+ 0 0 64 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.666 115.6 36.6 -73.2 -14.4 -8.7 43.5 -27.6 146 144 A F T <4 S+ 0 0 67 -3,-2.1 -129,-2.8 1,-0.2 -128,-0.4 0.637 121.4 30.4-114.7 -23.5 -11.3 41.8 -25.4 147 145 A V S < S- 0 0 0 -4,-1.7 -1,-0.2 -131,-0.3 -131,-0.1 -0.939 86.1 -95.0-136.8 157.0 -10.2 42.4 -21.8 148 146 A F >> - 0 0 55 -133,-0.3 4,-2.0 -2,-0.3 3,-0.8 -0.305 42.1-105.1 -69.1 157.6 -8.4 45.3 -20.0 149 147 A P H 3> S+ 0 0 84 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.852 120.9 56.1 -53.5 -38.0 -4.6 45.0 -19.4 150 148 A S H 3> S+ 0 0 31 1,-0.2 4,-1.4 2,-0.2 -92,-0.0 0.873 108.7 47.7 -62.7 -34.7 -5.0 44.2 -15.8 151 149 A V H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.867 106.1 57.1 -74.4 -37.8 -7.2 41.2 -16.7 152 150 A E H X S+ 0 0 28 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.920 104.1 54.9 -54.2 -44.9 -4.7 40.1 -19.3 153 151 A K H X S+ 0 0 141 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.900 108.2 47.8 -57.7 -44.1 -2.1 39.9 -16.5 154 152 A W H X S+ 0 0 49 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.914 111.9 49.6 -63.3 -44.2 -4.4 37.6 -14.5 155 153 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.939 112.1 48.2 -61.0 -46.1 -5.0 35.3 -17.5 156 154 A T H X S+ 0 0 78 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.919 113.7 46.6 -61.3 -44.2 -1.3 35.1 -18.3 157 155 A E H X S+ 0 0 139 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.912 114.0 46.8 -68.4 -39.9 -0.4 34.3 -14.7 158 156 A K H X S+ 0 0 36 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.907 112.2 50.2 -69.2 -41.7 -3.2 31.7 -14.2 159 157 A V H X S+ 0 0 36 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.917 112.7 47.3 -60.1 -43.2 -2.4 30.0 -17.5 160 158 A A H < S+ 0 0 71 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.885 112.1 50.2 -66.9 -36.9 1.3 29.8 -16.6 161 159 A A H < S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.861 107.0 52.8 -71.2 -36.8 0.6 28.5 -13.1 162 160 A M H < 0 0 130 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.727 360.0 360.0 -73.7 -21.9 -1.8 25.7 -14.3 163 161 A A < 0 0 122 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.934 360.0 360.0 -82.1 360.0 0.9 24.4 -16.7