==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-NOV-07 2VFF . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR P.GAYATHRI,M.BANERJEE,A.VIJAYALAKSHMI,H.BALARAM,P.BALARAM, . 493 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 37 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 4 7 3 0 0 2 0 2 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 1 5 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 A 0 0 157 0, 0.0 2,-0.2 0, 0.0 201,-0.1 0.000 360.0 360.0 360.0 141.8 -10.1 17.0 43.0 2 3 A R - 0 0 67 199,-0.2 2,-0.4 1,-0.1 201,-0.1 -0.430 360.0-119.8 -67.9 134.3 -7.8 15.5 40.4 3 4 A K - 0 0 65 -2,-0.2 33,-0.2 1,-0.1 -1,-0.1 -0.609 32.7-117.6 -71.2 124.8 -4.1 15.9 40.9 4 5 A Y E -a 36 0A 78 31,-0.6 33,-2.7 -2,-0.4 2,-0.4 -0.286 26.3-152.9 -65.1 155.1 -2.5 17.8 38.0 5 6 A F E -ab 37 227A 0 221,-2.1 223,-1.3 31,-0.2 2,-0.6 -0.943 12.9-176.2-143.2 107.4 0.1 15.9 36.0 6 7 A V E -ab 38 228A 0 31,-3.2 33,-2.4 -2,-0.4 2,-0.4 -0.936 13.2-171.6-112.4 118.8 3.0 17.6 34.0 7 8 A A E -ab 39 229A 0 221,-2.8 223,-3.1 -2,-0.6 2,-0.7 -0.907 18.6-148.9-120.1 139.7 5.1 15.3 32.0 8 9 A A E -ab 40 230A 0 31,-3.2 33,-2.7 -2,-0.4 2,-1.0 -0.899 9.2-169.7-104.1 106.4 8.4 15.8 30.1 9 10 A N E -a 41 0A 3 221,-2.9 225,-0.2 -2,-0.7 226,-0.1 -0.816 5.3-179.6 -94.3 96.4 8.7 13.6 27.0 10 11 A W - 0 0 1 31,-1.3 308,-0.2 -2,-1.0 -1,-0.1 0.622 19.8-169.1 -68.4 -12.6 12.3 14.1 26.0 11 12 A K - 0 0 31 30,-0.4 2,-1.4 1,-0.2 -1,-0.2 -0.213 61.2 -20.8 50.8-141.6 11.8 11.7 23.1 12 13 A C B S+I 318 0B 0 306,-2.1 306,-2.6 -3,-0.1 2,-0.3 -0.530 110.5 109.8 -97.3 71.1 15.1 10.7 21.4 13 14 A N + 0 0 38 -2,-1.4 30,-0.4 304,-0.2 2,-0.1 -0.998 36.4 69.0-145.9 142.9 17.1 13.7 22.6 14 15 A G - 0 0 15 -2,-0.3 2,-0.3 28,-0.1 3,-0.1 -0.364 39.9-139.8 134.3 153.8 19.9 14.3 25.0 15 16 A T > - 0 0 51 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.877 39.9-106.7-129.3 167.0 23.5 13.9 26.0 16 17 A L H > S+ 0 0 61 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.929 122.9 46.8 -57.4 -45.2 25.0 13.2 29.4 17 18 A E H > S+ 0 0 163 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 111.9 48.1 -64.5 -45.6 26.1 16.8 29.6 18 19 A S H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 112.7 49.4 -65.6 -37.4 22.8 18.4 28.4 19 20 A I H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.875 108.0 54.2 -67.9 -38.0 20.9 16.2 30.9 20 21 A K H X S+ 0 0 118 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.924 112.8 43.5 -59.7 -46.5 23.2 17.3 33.7 21 22 A S H X S+ 0 0 58 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.915 116.5 46.7 -63.1 -47.2 22.5 20.9 32.9 22 23 A L H X S+ 0 0 12 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.926 111.7 48.1 -66.5 -48.0 18.8 20.5 32.4 23 24 A T H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 32,-0.2 0.886 108.3 56.6 -61.2 -41.1 18.1 18.4 35.6 24 25 A N H X S+ 0 0 86 -4,-1.6 4,-0.7 -5,-0.3 -1,-0.2 0.919 109.4 45.3 -54.2 -46.5 20.1 20.9 37.7 25 26 A S H >< S+ 0 0 14 -4,-1.6 3,-0.6 1,-0.2 4,-0.2 0.860 111.7 53.0 -66.2 -37.4 17.8 23.7 36.5 26 27 A F H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.915 102.6 58.2 -62.3 -45.4 14.7 21.5 37.1 27 28 A N H 3< S+ 0 0 24 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.702 92.9 69.4 -59.2 -22.3 15.9 20.9 40.7 28 29 A N T << S+ 0 0 128 -4,-0.7 2,-0.6 -3,-0.6 -1,-0.3 0.623 80.3 92.5 -72.1 -14.8 15.8 24.6 41.4 29 30 A L S < S- 0 0 16 -3,-2.1 2,-0.6 -4,-0.2 -3,-0.0 -0.725 70.3-147.0 -84.6 123.5 12.0 24.6 41.2 30 31 A D + 0 0 142 -2,-0.6 2,-0.3 2,-0.0 -2,-0.1 -0.811 34.7 146.1 -92.7 120.1 10.3 24.1 44.5 31 32 A F - 0 0 16 -2,-0.6 26,-0.0 216,-0.0 213,-0.0 -0.966 48.9-112.3-146.0 164.1 7.1 22.2 44.3 32 33 A D >> - 0 0 79 -2,-0.3 3,-1.6 1,-0.1 4,-1.3 -0.879 17.1-161.7-102.6 111.1 5.1 19.8 46.5 33 34 A P T 34 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.610 88.7 65.7 -69.6 -11.8 4.9 16.3 44.9 34 35 A S T 34 S+ 0 0 77 1,-0.1 3,-0.1 3,-0.1 -31,-0.0 0.682 112.3 33.5 -78.3 -19.6 1.9 15.4 47.1 35 36 A K T <4 S+ 0 0 153 -3,-1.6 -31,-0.6 1,-0.3 2,-0.4 0.610 125.9 33.8-107.4 -20.1 -0.1 18.0 45.3 36 37 A L E < -a 4 0A 8 -4,-1.3 2,-0.6 -33,-0.2 -1,-0.3 -0.998 66.6-140.0-144.2 131.5 1.3 17.8 41.8 37 38 A D E +a 5 0A 15 -33,-2.7 -31,-3.2 -2,-0.4 2,-0.5 -0.846 20.7 179.4 -91.0 121.3 2.7 15.0 39.6 38 39 A V E -a 6 0A 0 -2,-0.6 21,-3.3 19,-0.5 2,-0.4 -0.975 9.1-175.2-121.7 116.7 5.8 16.0 37.6 39 40 A V E -ac 7 59A 0 -33,-2.4 -31,-3.2 -2,-0.5 2,-0.4 -0.934 13.7-158.2-122.2 130.0 7.2 13.2 35.5 40 41 A V E -ac 8 60A 0 19,-2.5 21,-2.0 -2,-0.4 -31,-0.2 -0.903 2.7-166.3-109.3 131.5 10.4 13.0 33.4 41 42 A F E +a 9 0A 0 -33,-2.7 -31,-1.3 -2,-0.4 -30,-0.4 -0.799 16.4 175.1-118.9 86.4 10.7 10.5 30.5 42 43 A P - 0 0 0 0, 0.0 21,-0.5 0, 0.0 5,-0.1 -0.339 44.9 -76.0 -81.3 168.7 14.3 10.2 29.3 43 44 A V >> - 0 0 2 -30,-0.4 3,-1.7 -32,-0.1 4,-0.7 -0.349 51.1-108.8 -56.0 144.9 15.7 7.8 26.7 44 45 A S G >4 S+ 0 0 23 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.881 119.3 50.1 -46.9 -51.5 16.2 4.3 28.3 45 46 A V G 34 S+ 0 0 4 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.646 112.1 50.2 -68.7 -14.0 20.0 4.5 28.3 46 47 A H G <> S+ 0 0 0 -3,-1.7 4,-3.1 1,-0.1 -1,-0.3 0.507 84.9 92.4 -93.1 -8.0 19.7 7.9 30.0 47 48 A Y H S+ 0 0 35 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.925 116.5 44.2 -57.7 -49.2 19.9 5.8 35.4 49 50 A H H > S+ 0 0 40 -4,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.920 116.1 47.7 -59.7 -48.4 21.7 9.1 34.9 50 51 A T H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 3,-0.2 0.922 111.0 49.4 -63.0 -47.6 18.5 11.1 34.9 51 52 A R H < S+ 0 0 61 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 111.2 50.1 -61.8 -40.5 17.0 9.4 38.0 52 53 A K H < S+ 0 0 145 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.798 113.6 45.8 -69.4 -29.4 20.2 10.0 40.0 53 54 A L H < S+ 0 0 54 -4,-1.4 2,-0.3 -3,-0.2 -2,-0.2 0.807 99.7 77.5 -84.4 -31.7 20.4 13.7 39.0 54 55 A L S < S- 0 0 7 -4,-2.2 -30,-0.1 -5,-0.1 -31,-0.0 -0.648 83.8-119.6 -85.1 133.5 16.7 14.6 39.7 55 56 A Q > - 0 0 101 -2,-0.3 3,-1.9 -32,-0.2 -2,-0.1 -0.288 35.2-103.4 -60.6 156.2 15.4 15.1 43.2 56 57 A S T 3 S+ 0 0 112 1,-0.3 -1,-0.1 4,-0.0 4,-0.1 0.676 113.5 78.9 -61.2 -20.6 12.7 12.6 44.3 57 58 A K T 3 S+ 0 0 24 -30,-0.1 -19,-0.5 2,-0.1 2,-0.5 0.830 86.0 72.0 -56.7 -33.1 10.0 15.3 43.8 58 59 A F S < S- 0 0 0 -3,-1.9 -19,-0.2 -21,-0.1 2,-0.2 -0.744 81.3-147.0 -81.8 128.3 10.3 14.5 40.1 59 60 A S E -c 39 0A 16 -21,-3.3 -19,-2.5 -2,-0.5 2,-0.3 -0.545 16.3-147.6 -84.7 161.8 8.8 11.2 39.2 60 61 A T E +c 40 0A 3 -21,-0.2 29,-1.4 -2,-0.2 28,-1.0 -0.947 22.4 156.8-136.1 155.2 10.5 9.2 36.4 61 62 A G E -d 89 0A 0 -21,-2.0 2,-0.3 -2,-0.3 29,-0.2 -0.930 33.9-101.2-158.6-178.8 9.5 6.8 33.6 62 63 A I E -d 90 0A 5 27,-2.0 29,-1.9 -2,-0.3 -19,-0.1 -0.851 25.2-124.3-120.2 158.5 10.4 5.3 30.2 63 64 A Q S S+ 0 0 8 -21,-0.5 2,-0.3 -2,-0.3 31,-0.3 0.431 88.3 8.8 -82.1 -3.2 9.0 6.2 26.8 64 65 A N - 0 0 22 258,-0.1 2,-0.3 28,-0.1 28,-0.1 -0.969 60.2-157.1-168.4 158.7 7.9 2.6 25.9 65 66 A V - 0 0 1 -2,-0.3 13,-0.2 26,-0.2 46,-0.1 -0.985 31.5 -95.5-147.4 152.8 7.4 -0.9 27.4 66 67 A S - 0 0 0 11,-2.9 13,-0.3 -2,-0.3 48,-0.1 -0.353 12.0-147.3 -68.6 145.4 7.3 -4.4 25.9 67 68 A K S S+ 0 0 52 11,-0.1 2,-0.2 47,-0.1 -1,-0.1 0.576 87.2 67.3 -78.7 -12.2 4.0 -6.1 25.2 68 69 A F S S- 0 0 40 1,-0.1 11,-0.4 5,-0.1 -2,-0.1 -0.691 82.2-127.1-104.6 158.6 5.9 -9.3 26.1 69 70 A G - 0 0 42 1,-0.3 -1,-0.1 -2,-0.2 190,-0.1 -0.035 59.1 -42.5 -83.1-163.5 7.2 -10.4 29.5 70 71 A N S S+ 0 0 50 2,-0.1 2,-0.3 7,-0.0 -1,-0.3 -0.271 96.4 63.5 -60.7 149.4 10.7 -11.5 30.2 71 72 A G B S+J 259 0C 15 188,-2.3 2,-2.2 186,-0.1 188,-2.2 -0.970 91.8 0.9 139.9-150.2 12.4 -13.8 27.7 72 73 A S S S+ 0 0 42 -2,-0.3 2,-0.2 186,-0.2 186,-0.1 -0.447 80.2 119.7 -84.2 70.9 13.6 -14.0 24.1 73 74 A Y > - 0 0 52 -2,-2.2 3,-2.3 3,-0.1 -1,-0.1 -0.611 53.2-151.9-134.8 69.7 12.6 -10.6 22.9 74 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.153 78.3 13.6 -50.1 129.5 15.9 -8.9 21.8 75 76 A G T 3 S+ 0 0 23 1,-0.3 -1,-0.3 236,-0.1 2,-0.2 0.252 100.1 117.1 89.5 -9.9 15.8 -5.1 22.3 76 77 A E < - 0 0 7 -3,-2.3 2,-0.5 234,-0.1 -1,-0.3 -0.588 54.7-145.0 -93.7 153.8 12.7 -5.0 24.4 77 78 A V - 0 0 14 -2,-0.2 -11,-2.9 -3,-0.1 182,-0.1 -0.971 22.2-145.0-115.9 112.9 12.3 -3.7 28.0 78 79 A S > - 0 0 0 -2,-0.5 4,-2.2 -13,-0.2 -9,-0.1 -0.338 20.0-121.3 -73.3 155.5 9.7 -5.7 30.0 79 80 A A H > S+ 0 0 2 -11,-0.4 4,-2.7 -13,-0.3 5,-0.2 0.876 115.4 57.5 -57.7 -40.9 7.3 -4.3 32.6 80 81 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 107.4 46.0 -58.5 -44.0 8.9 -6.8 35.1 81 82 A I H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.925 111.7 51.8 -65.3 -44.3 12.4 -5.4 34.5 82 83 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-0.5 0.922 109.5 50.4 -56.5 -45.4 11.1 -1.8 34.8 83 84 A K H ><5S+ 0 0 83 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.904 105.6 55.1 -62.0 -43.0 9.4 -2.7 38.1 84 85 A D H 3<5S+ 0 0 57 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.784 109.6 47.9 -61.0 -29.1 12.6 -4.2 39.5 85 86 A L T 3<5S- 0 0 29 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.343 116.5-117.5 -90.1 2.9 14.4 -0.9 38.7 86 87 A N T < 5 + 0 0 126 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.768 51.6 168.1 60.7 29.7 11.6 1.0 40.4 87 88 A I < - 0 0 1 -5,-2.5 -1,-0.2 -6,-0.2 -26,-0.2 -0.645 18.3-163.5 -69.2 120.3 10.7 2.8 37.1 88 89 A E + 0 0 64 -28,-1.0 33,-2.7 -2,-0.5 2,-0.3 0.876 57.8 30.8 -81.6 -40.8 7.4 4.4 38.1 89 90 A Y E -de 61 121A 3 -29,-1.4 -27,-2.0 31,-0.2 2,-0.3 -0.844 54.5-165.5-123.1 156.9 5.8 5.3 34.7 90 91 A V E -de 62 122A 0 31,-1.7 33,-3.3 -2,-0.3 2,-0.5 -0.987 19.1-134.1-135.3 144.6 5.6 4.1 31.1 91 92 A I E - e 0 123A 0 -29,-1.9 2,-0.4 -2,-0.3 33,-0.2 -0.871 27.5-172.0 -92.4 134.9 4.4 5.8 28.0 92 93 A I E + e 0 124A 0 31,-2.9 33,-3.0 -2,-0.5 -28,-0.1 -0.995 58.8 6.4-130.8 131.0 2.2 3.6 25.8 93 94 A G + 0 0 1 -2,-0.4 5,-0.1 1,-0.2 -1,-0.1 0.611 69.2 177.7 81.7 15.0 0.8 4.2 22.4 94 95 A H >> - 0 0 6 -31,-0.3 4,-1.7 1,-0.2 3,-1.6 -0.259 40.2-119.2 -49.3 136.2 2.6 7.5 21.6 95 96 A H H 3> S+ 0 0 27 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.766 112.1 62.9 -56.2 -29.2 1.6 8.4 18.0 96 97 A E H 3> S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.856 106.3 44.4 -63.0 -34.6 5.3 8.2 16.9 97 98 A R H <> S+ 0 0 10 -3,-1.6 6,-1.7 2,-0.2 4,-1.3 0.847 112.5 51.1 -78.6 -36.4 5.4 4.5 17.8 98 99 A R H < S+ 0 0 41 -4,-1.7 4,-0.3 4,-0.2 -2,-0.2 0.870 119.2 39.9 -61.0 -39.1 2.0 3.9 16.1 99 100 A K H < S+ 0 0 129 -4,-2.4 3,-0.2 -5,-0.2 -2,-0.2 0.969 126.9 26.4 -76.2 -60.6 3.4 5.7 13.0 100 101 A Y H < S+ 0 0 67 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.755 133.1 32.8 -81.5 -25.4 7.0 4.5 12.7 101 102 A F S < S- 0 0 49 -4,-1.3 -1,-0.2 -5,-0.4 -3,-0.2 0.211 100.9-122.1-122.2 13.8 6.7 1.1 14.4 102 103 A H + 0 0 136 -4,-0.3 -4,-0.2 -3,-0.2 2,-0.2 0.786 41.4 179.9 51.1 37.5 3.1 0.2 13.4 103 104 A E - 0 0 18 -6,-1.7 -1,-0.2 -9,-0.1 2,-0.2 -0.532 12.1-153.8 -68.2 132.9 2.0 -0.2 17.0 104 105 A T > - 0 0 68 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.575 31.1-101.0-105.4 166.3 -1.7 -1.1 17.1 105 106 A D H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.867 125.9 52.7 -48.6 -41.0 -4.6 -0.7 19.5 106 107 A E H > S+ 0 0 97 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.890 106.0 51.8 -68.3 -39.8 -3.9 -4.4 20.5 107 108 A D H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.899 110.4 50.3 -57.7 -42.1 -0.2 -3.7 21.1 108 109 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.932 110.2 49.5 -63.0 -47.7 -1.3 -0.8 23.4 109 110 A R H X S+ 0 0 53 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.956 112.5 46.9 -53.3 -54.0 -3.7 -3.1 25.3 110 111 A E H X S+ 0 0 63 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.870 112.2 50.4 -62.7 -38.5 -1.1 -5.8 25.8 111 112 A K H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.906 112.6 47.0 -62.5 -43.7 1.5 -3.2 26.9 112 113 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.942 111.0 51.6 -63.2 -48.0 -1.1 -1.7 29.4 113 114 A Q H X S+ 0 0 92 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.930 112.7 45.4 -53.9 -49.8 -2.0 -5.2 30.7 114 115 A A H X S+ 0 0 16 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.896 112.9 51.1 -60.7 -43.8 1.7 -6.0 31.3 115 116 A S H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 -2,-0.2 0.943 113.0 43.5 -61.0 -49.4 2.4 -2.7 33.0 116 117 A L H ><5S+ 0 0 41 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.883 108.8 58.1 -67.1 -37.7 -0.5 -3.0 35.4 117 118 A K H 3<5S+ 0 0 146 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.883 110.9 44.3 -55.8 -39.7 0.3 -6.6 36.2 118 119 A N T 3<5S- 0 0 33 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.107 121.1-108.7 -96.0 19.7 3.7 -5.5 37.3 119 120 A N T < 5 + 0 0 118 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.809 67.9 145.5 58.8 38.0 2.4 -2.5 39.2 120 121 A L < - 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