==== 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 03-NOV-07 2VFE . 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) . 19835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.2 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 . 40 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 31.8 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 2 4 5 2 1 1 1 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 4 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 0 158 0, 0.0 2,-0.4 0, 0.0 201,-0.0 0.000 360.0 360.0 360.0 151.4 -9.5 16.9 42.9 2 3 A R - 0 0 53 201,-0.1 2,-0.4 1,-0.1 201,-0.1 -0.591 360.0-124.7 -77.8 126.1 -7.2 15.5 40.2 3 4 A K - 0 0 70 -2,-0.4 33,-0.2 199,-0.2 -1,-0.1 -0.557 33.4-114.2 -69.1 123.8 -3.5 15.9 40.9 4 5 A Y E -a 36 0A 80 31,-0.6 33,-2.8 -2,-0.4 2,-0.5 -0.274 27.2-154.4 -65.4 148.0 -1.9 17.8 38.0 5 6 A F E -ab 37 227A 0 221,-2.5 223,-1.0 31,-0.2 2,-0.6 -0.943 13.0-178.7-134.7 107.3 0.6 15.9 35.8 6 7 A V E -ab 38 228A 0 31,-3.1 33,-2.1 -2,-0.5 2,-0.4 -0.938 13.6-171.1-111.0 119.0 3.4 17.6 33.8 7 8 A A E -ab 39 229A 0 221,-2.7 223,-3.0 -2,-0.6 2,-0.7 -0.916 17.4-149.6-120.9 133.4 5.6 15.2 31.7 8 9 A A E -ab 40 230A 0 31,-3.3 33,-2.8 -2,-0.4 2,-0.9 -0.877 8.6-168.7-100.3 109.6 8.8 15.8 29.8 9 10 A N E +a 41 0A 2 221,-3.2 225,-0.2 -2,-0.7 226,-0.1 -0.838 7.2 178.6 -96.8 97.1 9.2 13.6 26.7 10 11 A W - 0 0 3 31,-1.4 -1,-0.1 -2,-0.9 33,-0.1 0.639 20.0-172.9 -72.1 -14.7 12.8 14.1 25.7 11 12 A K - 0 0 29 30,-0.5 2,-1.2 1,-0.2 -1,-0.2 -0.244 61.3 -16.5 55.0-138.9 12.3 11.6 22.8 12 13 A C B S+I 318 0B 0 306,-1.6 306,-2.6 304,-0.1 2,-0.3 -0.593 112.0 105.5 -95.8 71.4 15.5 10.7 21.0 13 14 A N + 0 0 28 -2,-1.2 30,-0.4 304,-0.2 2,-0.1 -0.977 37.0 63.5-146.9 155.3 17.6 13.6 22.3 14 15 A G - 0 0 16 -2,-0.3 2,-0.3 28,-0.1 3,-0.0 -0.112 41.7-134.9 116.0 152.9 20.3 14.5 24.7 15 16 A T > - 0 0 55 -2,-0.1 4,-2.6 316,-0.1 5,-0.3 -0.879 38.5-102.1-129.7 167.7 24.0 14.0 25.6 16 17 A L H > S+ 0 0 49 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.886 124.3 42.5 -56.0 -41.7 25.6 13.3 29.0 17 18 A E H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.863 113.6 50.5 -73.9 -39.9 26.7 17.0 29.2 18 19 A S H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.864 111.8 47.9 -68.0 -38.0 23.4 18.5 27.9 19 20 A I H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.886 109.2 54.3 -67.5 -40.6 21.4 16.4 30.4 20 21 A K H X S+ 0 0 58 -4,-1.5 4,-1.0 -5,-0.3 -2,-0.2 0.907 113.8 41.9 -56.9 -43.8 23.8 17.4 33.2 21 22 A S H X S+ 0 0 69 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.843 117.0 47.0 -73.8 -36.7 23.1 21.1 32.3 22 23 A L H X S+ 0 0 16 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.884 110.5 50.4 -74.7 -40.9 19.3 20.6 31.8 23 24 A T H X S+ 0 0 2 -4,-2.9 4,-1.8 1,-0.2 32,-0.3 0.768 106.2 57.5 -69.5 -27.1 18.7 18.6 35.0 24 25 A N H X S+ 0 0 101 -4,-1.0 4,-0.7 -5,-0.3 -1,-0.2 0.901 107.9 45.8 -66.6 -43.3 20.5 21.3 37.0 25 26 A S H < S+ 0 0 18 -4,-1.1 3,-0.5 1,-0.2 4,-0.3 0.843 111.3 53.4 -68.0 -35.7 18.2 24.0 35.8 26 27 A F H >< S+ 0 0 0 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.884 104.5 56.0 -63.4 -41.3 15.2 21.7 36.5 27 28 A N H 3< S+ 0 0 22 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.678 93.6 69.1 -65.9 -21.4 16.5 21.2 40.1 28 29 A N T 3< S+ 0 0 127 -4,-0.7 2,-0.5 -3,-0.5 -1,-0.3 0.645 82.8 88.2 -72.3 -16.2 16.4 25.0 40.7 29 30 A L S < S- 0 0 20 -3,-1.4 2,-0.5 -4,-0.3 -3,-0.0 -0.766 71.9-147.0 -89.5 124.6 12.6 24.9 40.6 30 31 A D + 0 0 134 -2,-0.5 2,-0.3 2,-0.0 -2,-0.1 -0.781 32.1 144.8 -96.1 127.3 11.0 24.3 43.9 31 32 A F - 0 0 15 -2,-0.5 26,-0.0 5,-0.0 213,-0.0 -0.975 49.4-106.2-152.7 164.5 7.7 22.3 44.1 32 33 A D >> - 0 0 90 -2,-0.3 3,-1.2 1,-0.1 4,-1.2 -0.874 19.1-160.3 -97.5 114.3 5.7 19.8 46.2 33 34 A P T 34 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.601 89.4 64.1 -67.1 -13.3 5.7 16.3 44.6 34 35 A S T 34 S+ 0 0 80 1,-0.1 3,-0.1 3,-0.1 -31,-0.0 0.664 112.3 32.8 -83.8 -19.6 2.6 15.4 46.7 35 36 A K T <4 S+ 0 0 88 -3,-1.2 -31,-0.6 1,-0.3 2,-0.3 0.546 126.4 37.7-107.6 -14.3 0.5 18.0 45.0 36 37 A L E < -a 4 0A 8 -4,-1.2 2,-0.6 -33,-0.2 -1,-0.3 -0.972 66.5-144.1-147.5 124.1 2.0 17.9 41.6 37 38 A D E +a 5 0A 16 -33,-2.8 -31,-3.1 -2,-0.3 2,-0.5 -0.795 20.0 178.7 -88.0 119.3 3.4 15.1 39.4 38 39 A V E -a 6 0A 1 -2,-0.6 21,-3.1 19,-0.4 2,-0.4 -0.958 9.2-177.7-123.0 110.7 6.5 16.1 37.4 39 40 A V E -ac 7 59A 0 -33,-2.1 -31,-3.3 -2,-0.5 2,-0.4 -0.888 14.8-157.3-117.7 138.1 7.9 13.3 35.3 40 41 A V E -ac 8 60A 0 19,-2.3 21,-1.7 -2,-0.4 -31,-0.2 -0.946 2.0-162.6-114.9 132.8 10.9 13.1 33.0 41 42 A F E +a 9 0A 0 -33,-2.8 -31,-1.4 -2,-0.4 -30,-0.5 -0.791 18.4 174.2-117.4 86.6 11.3 10.6 30.2 42 43 A P - 0 0 0 0, 0.0 21,-0.5 0, 0.0 5,-0.1 -0.306 45.5 -74.5 -81.7 172.1 14.9 10.3 29.0 43 44 A V >> - 0 0 2 -30,-0.4 3,-1.7 19,-0.1 4,-0.5 -0.370 50.7-110.4 -58.5 144.4 16.3 7.8 26.5 44 45 A S G >4 S+ 0 0 23 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.864 120.1 49.3 -47.9 -46.4 16.6 4.3 28.0 45 46 A V G 34 S+ 0 0 6 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.646 111.1 52.1 -71.8 -14.6 20.5 4.5 28.1 46 47 A H G <> S+ 0 0 0 -3,-1.7 4,-2.7 1,-0.1 -1,-0.3 0.431 84.3 94.2 -94.5 -3.9 20.2 7.9 29.7 47 48 A Y H S+ 0 0 46 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.899 117.0 48.5 -57.2 -44.6 20.4 6.0 35.2 49 50 A H H > S+ 0 0 48 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.904 115.7 43.8 -60.7 -44.6 22.3 9.2 34.4 50 51 A T H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.877 112.1 51.8 -71.5 -40.6 19.1 11.2 34.5 51 52 A R H < S+ 0 0 72 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.812 110.5 49.6 -66.2 -32.3 17.7 9.6 37.6 52 53 A K H < S+ 0 0 109 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.823 115.0 43.0 -74.4 -33.6 21.0 10.3 39.5 53 54 A L H < S+ 0 0 55 -4,-1.3 2,-0.2 -5,-0.2 -2,-0.2 0.835 98.9 80.1 -85.1 -36.7 21.1 14.0 38.5 54 55 A L S < S- 0 0 7 -4,-2.3 -30,-0.1 -5,-0.1 2,-0.1 -0.511 85.6-114.1 -73.1 139.4 17.4 14.8 39.0 55 56 A Q > - 0 0 92 -32,-0.3 3,-2.3 -2,-0.2 -1,-0.1 -0.330 32.1-101.1 -70.8 156.9 16.3 15.5 42.6 56 57 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.673 116.9 71.0 -56.0 -23.8 13.8 13.2 44.3 57 58 A K T 3 S+ 0 0 22 -30,-0.1 -19,-0.4 2,-0.1 2,-0.4 0.804 87.7 78.5 -61.2 -31.8 10.9 15.6 43.7 58 59 A F S < S- 0 0 0 -3,-2.3 2,-0.2 -21,-0.1 -19,-0.2 -0.658 75.0-145.7 -82.4 131.4 11.1 14.6 40.0 59 60 A S E -c 39 0A 18 -21,-3.1 -19,-2.3 -2,-0.4 2,-0.3 -0.593 15.7-152.4 -89.0 158.3 9.6 11.3 38.8 60 61 A T E +c 40 0A 4 -21,-0.2 29,-1.4 -2,-0.2 28,-0.8 -0.930 19.3 157.5-133.8 156.9 11.2 9.3 36.0 61 62 A G E -d 89 0A 0 -21,-1.7 2,-0.3 -2,-0.3 29,-0.2 -0.952 35.1 -98.1-160.7 177.7 10.2 6.8 33.4 62 63 A I E -d 90 0A 4 27,-2.0 29,-1.8 -2,-0.3 -19,-0.1 -0.807 23.8-129.0-110.5 155.6 11.0 5.2 30.0 63 64 A Q S S+ 0 0 7 -21,-0.5 2,-0.3 -2,-0.3 31,-0.2 0.556 89.6 16.8 -81.7 -12.0 9.6 6.1 26.6 64 65 A N - 0 0 31 258,-0.1 2,-0.3 28,-0.1 28,-0.1 -0.980 60.2-163.4-154.9 155.4 8.5 2.5 25.7 65 66 A V - 0 0 2 -2,-0.3 13,-0.2 26,-0.3 50,-0.1 -0.987 32.2-100.6-140.6 146.7 8.0 -0.8 27.4 66 67 A S - 0 0 1 11,-3.1 13,-0.3 -2,-0.3 48,-0.1 -0.341 6.7-147.7 -70.5 145.0 7.7 -4.3 25.9 67 68 A K S S+ 0 0 47 11,-0.1 2,-0.3 47,-0.1 -1,-0.1 0.603 87.3 73.5 -75.8 -16.4 4.5 -6.2 25.2 68 69 A F S S- 0 0 40 1,-0.1 11,-0.4 9,-0.1 -2,-0.1 -0.685 78.8-134.3 -97.0 152.5 6.6 -9.3 26.0 69 70 A G - 0 0 26 -2,-0.3 -1,-0.1 1,-0.2 190,-0.1 -0.104 57.7 -43.4 -82.9-168.5 7.8 -10.4 29.4 70 71 A N S S+ 0 0 64 2,-0.1 2,-0.3 -2,-0.0 -1,-0.2 -0.351 97.4 76.7 -58.2 137.0 11.3 -11.7 30.1 71 72 A G B S-J 259 0C 16 188,-2.3 2,-2.2 2,-0.1 188,-1.6 -0.992 88.7 -14.2 156.3-159.6 12.6 -14.0 27.5 72 73 A S S S+ 0 0 67 -2,-0.3 2,-0.3 186,-0.2 186,-0.1 -0.447 81.0 123.6 -80.0 71.6 14.1 -14.3 24.0 73 74 A Y > - 0 0 58 -2,-2.2 3,-1.7 3,-0.1 -2,-0.1 -0.770 50.5-149.8-135.4 87.3 13.2 -10.8 22.7 74 75 A T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.333 80.8 15.7 -61.3 130.5 16.4 -8.9 21.5 75 76 A G T 3 S+ 0 0 26 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.421 98.7 126.5 88.3 2.2 16.2 -5.2 22.0 76 77 A E < - 0 0 11 -3,-1.7 2,-0.6 234,-0.1 -1,-0.3 -0.688 48.7-155.1-100.6 145.3 13.2 -5.3 24.4 77 78 A V - 0 0 16 -2,-0.3 -11,-3.1 -3,-0.1 182,-0.1 -0.955 23.7-150.7-113.5 107.9 12.7 -3.8 27.9 78 79 A S > - 0 0 0 -2,-0.6 4,-1.8 -13,-0.2 -9,-0.1 -0.299 23.5-118.4 -75.4 161.4 10.1 -5.8 29.8 79 80 A A H > S+ 0 0 0 -11,-0.4 4,-1.8 -13,-0.3 5,-0.1 0.810 116.1 58.2 -65.4 -32.6 7.8 -4.4 32.5 80 81 A E H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 106.3 47.0 -59.3 -50.4 9.5 -6.9 34.9 81 82 A I H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.887 110.6 52.7 -60.1 -43.3 12.9 -5.4 34.3 82 83 A A H <>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 -1,-0.2 0.883 108.0 50.0 -61.4 -43.0 11.6 -1.8 34.7 83 84 A K H ><5S+ 0 0 71 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.875 106.2 55.6 -65.9 -40.5 10.0 -2.6 38.1 84 85 A D H 3<5S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.831 107.8 50.1 -58.3 -35.1 13.2 -4.2 39.4 85 86 A L T 3<5S- 0 0 21 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.279 117.2-116.9 -87.0 9.5 15.0 -0.9 38.5 86 87 A N T < 5 + 0 0 137 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.684 55.0 164.5 59.1 22.8 12.3 1.1 40.4 87 88 A I < - 0 0 2 -5,-2.5 -1,-0.2 -6,-0.2 -26,-0.1 -0.594 18.8-167.9 -69.6 121.4 11.3 2.8 37.1 88 89 A E + 0 0 68 -28,-0.8 33,-2.6 -2,-0.4 2,-0.3 0.870 56.6 41.8 -84.6 -40.2 7.9 4.3 37.9 89 90 A Y E -de 61 121A 4 -29,-1.4 -27,-2.0 31,-0.2 2,-0.3 -0.775 52.5-171.1-118.1 154.6 6.5 5.4 34.6 90 91 A V E -de 62 122A 0 31,-1.3 33,-3.4 -2,-0.3 2,-0.5 -0.995 19.9-136.2-137.1 142.2 6.2 4.1 31.0 91 92 A I E - e 0 123A 1 -29,-1.8 2,-0.4 -2,-0.3 -26,-0.3 -0.885 27.7-173.7 -95.5 127.8 5.0 5.8 27.8 92 93 A I E + e 0 124A 0 31,-2.9 33,-3.3 -2,-0.5 -28,-0.1 -0.982 57.0 6.8-125.8 132.6 2.7 3.5 25.7 93 94 A G S S+ 0 0 1 -2,-0.4 -1,-0.1 31,-0.2 2,-0.1 0.782 70.4 178.0 75.1 31.6 1.2 4.1 22.3 94 95 A H >> - 0 0 7 -31,-0.2 4,-1.8 1,-0.1 3,-1.6 -0.418 38.2-120.4 -65.3 142.1 3.0 7.3 21.2 95 96 A S H 3> S+ 0 0 19 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.787 111.6 59.5 -55.1 -34.1 2.1 8.4 17.7 96 97 A E H 3> S+ 0 0 22 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.748 108.3 45.0 -68.9 -25.6 5.8 8.2 16.6 97 98 A R H <> S+ 0 0 14 -3,-1.6 6,-1.8 2,-0.2 4,-1.4 0.793 114.2 48.2 -86.1 -32.7 5.8 4.5 17.5 98 99 A R H < S+ 0 0 47 -4,-1.8 4,-0.3 4,-0.2 -2,-0.2 0.838 119.0 42.0 -68.9 -35.6 2.4 3.9 15.8 99 100 A K H < S+ 0 0 152 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.909 130.9 19.7 -77.9 -46.6 3.7 5.8 12.7 100 101 A Y H < S+ 0 0 85 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.653 127.3 42.3-103.4 -19.1 7.2 4.5 12.4 101 102 A F S < S- 0 0 42 -4,-1.4 -3,-0.1 -5,-0.2 -1,-0.1 0.081 100.9-111.3-126.3 25.1 7.3 1.2 14.3 102 103 A H + 0 0 99 -4,-0.3 2,-0.6 1,-0.2 -4,-0.2 0.683 52.7 169.2 58.2 23.7 4.0 -0.6 13.5 103 104 A E - 0 0 11 -6,-1.8 -1,-0.2 -9,-0.1 2,-0.1 -0.565 13.9-168.4 -73.1 114.2 2.6 -0.2 17.0 104 105 A T > - 0 0 72 -2,-0.6 4,-1.9 1,-0.1 3,-0.4 -0.459 38.7 -99.2 -97.8 170.9 -1.1 -1.1 16.8 105 106 A D H > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.809 125.3 55.1 -55.3 -33.6 -4.0 -0.7 19.3 106 107 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.831 104.1 52.5 -72.5 -34.3 -3.4 -4.3 20.3 107 108 A D H > S+ 0 0 22 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.899 107.7 52.8 -63.3 -42.5 0.3 -3.7 21.1 108 109 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.884 110.1 48.1 -58.8 -43.2 -0.9 -0.8 23.3 109 110 A R H X S+ 0 0 63 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.924 112.2 47.5 -63.4 -48.1 -3.3 -3.2 25.2 110 111 A E H X S+ 0 0 76 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.844 112.3 50.5 -65.0 -35.9 -0.6 -5.8 25.7 111 112 A K H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.907 111.3 47.8 -66.4 -45.1 1.9 -3.2 26.9 112 113 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.902 111.1 50.6 -63.4 -43.6 -0.6 -1.8 29.4 113 114 A Q H X S+ 0 0 54 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.896 112.7 46.9 -60.2 -42.9 -1.5 -5.3 30.7 114 115 A A H X S+ 0 0 16 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.890 114.1 48.0 -65.1 -41.7 2.2 -6.0 31.2 115 116 A S H <>S+ 0 0 0 -4,-2.3 5,-3.1 2,-0.2 3,-0.5 0.907 113.6 44.5 -66.9 -46.2 2.8 -2.7 32.9 116 117 A L H ><5S+ 0 0 18 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.790 109.3 57.2 -72.1 -29.0 -0.1 -2.9 35.3 117 118 A K H 3<5S+ 0 0 123 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.709 110.6 45.6 -70.3 -22.1 0.7 -6.5 36.1 118 119 A N T 3<5S- 0 0 39 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.104 120.1-107.6-108.7 19.2 4.2 -5.3 37.2 119 120 A N T < 5 + 0 0 129 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.733 68.7 148.3 60.3 28.9 2.9 -2.3 39.2 120 121 A L < - 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