==== 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 2VFD . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR P.GAYATHRI,M.BANERJEE,A.VIJAYALAKSHMI,H.BALARAM,P.BALARAM, . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 14.6 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 . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 31.2 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 0 6 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,-0.1 0, 0.0 201,-0.0 0.000 360.0 360.0 360.0 145.8 -10.0 17.2 42.9 2 3 A R - 0 0 64 199,-0.1 2,-0.5 1,-0.1 201,-0.1 -0.434 360.0-119.0 -67.9 138.9 -7.6 15.6 40.3 3 4 A K - 0 0 69 199,-0.2 33,-0.2 -2,-0.1 -1,-0.1 -0.675 32.6-120.2 -76.7 123.7 -3.9 15.9 40.9 4 5 A Y E -a 36 0A 70 31,-0.6 33,-2.8 -2,-0.5 2,-0.4 -0.267 24.5-154.5 -66.0 157.7 -2.3 17.7 37.9 5 6 A F E -ab 37 227A 0 221,-1.9 223,-1.3 31,-0.2 2,-0.5 -0.967 11.7-175.3-146.0 111.1 0.4 15.9 36.0 6 7 A V E -ab 38 228A 0 31,-2.8 33,-2.2 -2,-0.4 2,-0.4 -0.968 13.9-171.9-116.4 118.7 3.1 17.6 34.0 7 8 A A E -ab 39 229A 0 221,-2.7 223,-3.3 -2,-0.5 2,-0.7 -0.917 19.5-146.8-121.2 140.2 5.4 15.3 32.0 8 9 A A E -ab 40 230A 0 31,-2.9 33,-2.6 -2,-0.4 2,-1.0 -0.905 9.9-168.0-101.9 107.4 8.6 15.8 30.0 9 10 A N E -a 41 0A 2 221,-2.9 225,-0.2 -2,-0.7 226,-0.1 -0.840 5.3-178.2 -93.1 99.3 8.8 13.5 27.0 10 11 A W - 0 0 2 31,-1.5 309,-0.1 -2,-1.0 -1,-0.1 0.616 18.4-169.6 -72.1 -11.0 12.4 14.0 26.0 11 12 A K - 0 0 31 30,-0.4 2,-1.4 1,-0.2 -1,-0.2 -0.199 61.6 -19.9 51.5-142.7 11.9 11.7 23.0 12 13 A C B S+I 319 0B 0 307,-2.1 307,-2.5 -3,-0.1 2,-0.3 -0.540 110.8 108.4 -96.4 72.6 15.2 10.7 21.3 13 14 A N + 0 0 35 -2,-1.4 30,-0.4 305,-0.2 2,-0.1 -0.997 35.2 67.8-147.4 146.4 17.3 13.6 22.6 14 15 A G - 0 0 18 -2,-0.3 2,-0.3 28,-0.1 3,-0.1 -0.275 40.6-137.8 129.3 152.8 20.0 14.3 25.1 15 16 A T > - 0 0 52 -2,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.883 40.0-105.5-126.0 164.5 23.7 13.9 25.9 16 17 A L H > S+ 0 0 54 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.930 123.3 47.4 -53.9 -43.3 25.1 13.2 29.4 17 18 A E H > S+ 0 0 151 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 111.3 47.8 -66.8 -44.5 26.2 16.8 29.5 18 19 A S H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 112.4 50.5 -65.6 -36.5 23.0 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 0.893 107.2 54.3 -68.3 -38.1 21.0 16.2 30.8 20 21 A K H X S+ 0 0 53 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.945 112.8 43.3 -57.6 -48.1 23.4 17.3 33.7 21 22 A S H X S+ 0 0 64 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.919 116.7 46.1 -63.8 -45.2 22.6 20.9 32.9 22 23 A L H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.909 111.3 49.2 -70.3 -45.1 18.9 20.5 32.4 23 24 A T H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 32,-0.2 0.851 108.7 55.8 -63.9 -34.3 18.3 18.4 35.5 24 25 A N H X S+ 0 0 99 -4,-1.6 4,-1.0 -5,-0.3 -1,-0.2 0.940 109.1 45.8 -61.4 -46.5 20.2 20.9 37.6 25 26 A S H < S+ 0 0 14 -4,-1.8 3,-0.5 1,-0.2 4,-0.4 0.895 112.4 51.4 -62.6 -41.5 17.9 23.7 36.3 26 27 A F H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.916 104.1 57.5 -61.6 -43.2 14.8 21.5 37.0 27 28 A N H 3< S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.770 94.9 67.1 -60.2 -26.9 16.1 20.8 40.6 28 29 A N T 3< S+ 0 0 127 -4,-1.0 2,-0.5 -3,-0.5 -1,-0.3 0.656 80.4 94.6 -68.7 -18.0 16.1 24.6 41.3 29 30 A L S < S- 0 0 14 -3,-1.8 2,-0.7 -4,-0.4 -3,-0.0 -0.658 71.0-144.0 -78.1 124.1 12.3 24.7 41.0 30 31 A D + 0 0 139 -2,-0.5 2,-0.3 2,-0.0 -2,-0.1 -0.800 37.5 145.9 -89.7 116.0 10.6 24.4 44.4 31 32 A F - 0 0 12 -2,-0.7 26,-0.0 216,-0.0 213,-0.0 -0.972 49.0-114.8-144.7 162.8 7.3 22.4 44.2 32 33 A D >> - 0 0 78 -2,-0.3 3,-1.8 1,-0.1 4,-1.3 -0.857 16.6-163.7-102.6 107.0 5.3 20.0 46.3 33 34 A P T 34 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.640 87.4 67.7 -68.3 -12.2 5.2 16.5 44.8 34 35 A S T 34 S+ 0 0 76 1,-0.2 3,-0.1 3,-0.1 -2,-0.0 0.699 111.9 32.9 -74.7 -18.6 2.3 15.6 47.1 35 36 A K T <4 S+ 0 0 152 -3,-1.8 -31,-0.6 1,-0.3 2,-0.3 0.643 125.9 32.3-110.4 -20.4 0.1 18.1 45.2 36 37 A L E < -a 4 0A 6 -4,-1.3 2,-0.5 -33,-0.2 -1,-0.3 -0.997 67.5-139.4-142.9 130.5 1.5 17.9 41.6 37 38 A D E -a 5 0A 18 -33,-2.8 -31,-2.8 -2,-0.3 2,-0.4 -0.818 20.7-178.3 -88.7 127.7 3.0 15.0 39.7 38 39 A V E -a 6 0A 0 -2,-0.5 21,-2.9 19,-0.5 2,-0.4 -0.982 8.0-174.5-127.4 117.6 6.0 16.0 37.6 39 40 A V E -ac 7 59A 0 -33,-2.2 -31,-2.9 -2,-0.4 2,-0.4 -0.946 13.5-158.3-123.8 130.9 7.4 13.2 35.5 40 41 A V E -ac 8 60A 0 19,-2.4 21,-2.0 -2,-0.4 -31,-0.2 -0.915 2.9-164.7-109.6 132.1 10.5 13.1 33.3 41 42 A F E +a 9 0A 0 -33,-2.6 -31,-1.5 -2,-0.4 -30,-0.4 -0.825 16.0 177.6-118.6 88.5 10.8 10.4 30.5 42 43 A P - 0 0 0 0, 0.0 21,-0.5 0, 0.0 5,-0.1 -0.350 43.5 -77.7 -80.4 167.2 14.5 10.2 29.3 43 44 A V >> - 0 0 2 -30,-0.4 3,-1.8 19,-0.1 4,-0.6 -0.328 51.4-107.5 -55.8 146.5 15.8 7.8 26.7 44 45 A S G >4 S+ 0 0 23 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.878 119.6 49.3 -49.2 -49.1 16.2 4.3 28.2 45 46 A V G 34 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.591 112.1 51.5 -72.8 -8.8 20.1 4.4 28.3 46 47 A H G <> S+ 0 0 0 -3,-1.8 4,-2.8 2,-0.1 -1,-0.3 0.461 83.9 93.6 -97.8 -5.7 19.8 7.8 30.0 47 48 A Y H S+ 0 0 46 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.935 115.7 45.9 -60.2 -48.1 20.0 5.8 35.4 49 50 A H H > S+ 0 0 42 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.925 115.7 47.3 -56.9 -48.6 21.9 9.0 34.9 50 51 A T H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.914 111.2 49.3 -64.2 -45.8 18.6 11.1 34.9 51 52 A R H < S+ 0 0 64 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.883 111.3 50.3 -62.5 -38.6 17.2 9.4 38.0 52 53 A K H < S+ 0 0 141 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.835 113.5 45.9 -69.2 -31.1 20.4 9.9 39.9 53 54 A L H < S+ 0 0 53 -4,-1.6 2,-0.4 -5,-0.2 -2,-0.2 0.765 100.0 77.2 -84.0 -29.4 20.5 13.6 39.0 54 55 A L S < S- 0 0 7 -4,-1.9 -30,-0.1 -5,-0.1 -31,-0.0 -0.693 82.8-120.1 -88.5 134.4 16.9 14.5 39.7 55 56 A Q > - 0 0 98 -2,-0.4 3,-2.2 -32,-0.2 -2,-0.1 -0.320 35.0-104.2 -62.0 154.5 15.6 15.0 43.2 56 57 A S T 3 S+ 0 0 109 1,-0.3 -1,-0.1 4,-0.0 4,-0.1 0.658 113.8 79.2 -61.2 -19.5 12.8 12.6 44.2 57 58 A K T 3 S+ 0 0 30 -30,-0.1 2,-0.6 -20,-0.0 -19,-0.5 0.805 86.9 72.2 -58.1 -28.3 10.1 15.4 43.8 58 59 A F S < S- 0 0 0 -3,-2.2 -19,-0.2 -21,-0.1 2,-0.2 -0.806 80.5-149.7 -86.1 122.9 10.5 14.5 40.1 59 60 A S E -c 39 0A 17 -21,-2.9 -19,-2.4 -2,-0.6 2,-0.3 -0.527 15.4-149.9 -80.7 159.0 9.0 11.2 39.2 60 61 A T E +c 40 0A 4 -21,-0.2 29,-1.2 -2,-0.2 28,-1.0 -0.947 20.9 160.8-135.0 155.9 10.7 9.3 36.3 61 62 A G E -d 89 0A 0 -21,-2.0 2,-0.3 -2,-0.3 29,-0.2 -0.904 32.6-102.8-155.8-179.9 9.6 6.8 33.6 62 63 A I E -d 90 0A 6 27,-2.0 29,-2.0 -2,-0.3 -19,-0.1 -0.846 25.0-123.7-118.6 160.4 10.5 5.3 30.3 63 64 A Q S S+ 0 0 7 -21,-0.5 2,-0.3 -2,-0.3 31,-0.2 0.415 87.9 7.4 -85.2 -2.1 9.1 6.1 26.8 64 65 A N - 0 0 24 259,-0.1 2,-0.3 28,-0.1 28,-0.1 -0.953 60.0-158.4-167.7 162.1 7.9 2.6 25.9 65 66 A V - 0 0 1 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.975 32.2 -93.8-150.5 154.5 7.6 -0.9 27.4 66 67 A S - 0 0 0 11,-2.8 13,-0.3 -2,-0.3 48,-0.1 -0.376 10.6-146.0 -71.9 147.5 7.3 -4.4 26.0 67 68 A K S S+ 0 0 51 -2,-0.1 2,-0.2 11,-0.1 -1,-0.1 0.527 88.3 67.0 -79.6 -8.7 4.1 -6.1 25.2 68 69 A F S S- 0 0 40 1,-0.1 11,-0.4 9,-0.1 -2,-0.1 -0.702 81.2-128.0-107.5 159.8 6.0 -9.3 26.2 69 70 A G - 0 0 41 1,-0.3 -1,-0.1 -2,-0.2 191,-0.1 -0.029 59.2 -43.1 -82.9-161.7 7.3 -10.4 29.5 70 71 A N S S+ 0 0 49 2,-0.1 2,-0.3 7,-0.0 -1,-0.3 -0.332 96.1 66.2 -63.8 148.2 10.9 -11.6 30.2 71 72 A G B S-J 260 0C 17 189,-2.2 2,-2.3 187,-0.1 189,-2.2 -0.981 91.8 -2.1 143.1-149.6 12.5 -13.9 27.6 72 73 A S S S+ 0 0 62 -2,-0.3 2,-0.2 187,-0.2 187,-0.1 -0.435 80.6 120.6 -85.7 70.7 13.7 -14.1 24.0 73 74 A Y > - 0 0 52 -2,-2.3 3,-2.4 3,-0.1 -1,-0.1 -0.635 52.7-152.4-133.4 71.4 12.7 -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 -0.177 78.4 14.2 -53.6 130.8 15.9 -8.9 21.8 75 76 A G T 3 S+ 0 0 23 1,-0.3 -1,-0.3 237,-0.1 2,-0.2 0.291 100.2 117.2 87.1 -6.2 15.9 -5.2 22.2 76 77 A E < - 0 0 6 -3,-2.4 2,-0.5 235,-0.1 -1,-0.3 -0.620 54.1-146.3 -96.2 153.6 12.7 -5.0 24.5 77 78 A V - 0 0 15 -2,-0.2 -11,-2.8 -3,-0.1 2,-0.1 -0.969 22.7-145.1-114.2 113.8 12.3 -3.8 28.1 78 79 A S > - 0 0 0 -2,-0.5 4,-2.4 -13,-0.2 5,-0.2 -0.372 20.3-120.4 -76.9 156.6 9.7 -5.8 30.0 79 80 A A H > S+ 0 0 1 -11,-0.4 4,-2.6 -13,-0.3 5,-0.2 0.867 116.0 57.9 -58.4 -36.7 7.4 -4.3 32.6 80 81 A E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 107.4 46.1 -61.6 -44.0 9.0 -6.8 35.1 81 82 A I H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.932 111.7 51.7 -64.1 -44.0 12.5 -5.4 34.4 82 83 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-0.3 0.922 109.7 49.8 -58.8 -42.7 11.1 -1.8 34.8 83 84 A K H ><5S+ 0 0 83 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.910 105.9 55.0 -64.3 -42.3 9.5 -2.7 38.1 84 85 A D H 3<5S+ 0 0 57 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.816 109.1 49.2 -60.6 -30.7 12.7 -4.2 39.5 85 86 A L T 3<5S- 0 0 29 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.399 115.9-118.2 -85.7 2.1 14.5 -0.9 38.6 86 87 A N T < 5 + 0 0 126 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.796 52.1 167.1 59.7 32.4 11.7 1.0 40.4 87 88 A I < - 0 0 1 -5,-2.6 -1,-0.2 -6,-0.2 -26,-0.1 -0.676 19.3-163.4 -74.3 121.7 10.8 2.8 37.2 88 89 A E + 0 0 66 -28,-1.0 33,-2.7 -2,-0.5 2,-0.3 0.874 57.9 32.2 -81.2 -39.4 7.5 4.3 38.1 89 90 A Y E -de 61 121A 4 -29,-1.2 -27,-2.0 31,-0.2 2,-0.3 -0.870 53.8-166.2-125.9 152.1 5.9 5.3 34.8 90 91 A V E -de 62 122A 0 31,-1.7 33,-3.2 -2,-0.3 2,-0.5 -0.986 18.9-135.5-131.4 142.4 5.8 4.1 31.2 91 92 A I E - e 0 123A 0 -29,-2.0 2,-0.4 -2,-0.3 33,-0.2 -0.866 27.4-172.5 -91.0 133.8 4.5 5.8 28.0 92 93 A I E + e 0 124A 0 31,-2.9 33,-2.9 -2,-0.5 -28,-0.1 -0.993 57.7 8.1-128.4 133.4 2.4 3.5 25.9 93 94 A G S S+ 0 0 1 -2,-0.4 5,-0.1 31,-0.2 -1,-0.1 0.674 70.7 178.3 81.8 16.5 1.0 4.2 22.4 94 95 A H >> - 0 0 7 -31,-0.2 4,-2.0 1,-0.1 3,-1.4 -0.257 39.8-117.8 -53.7 139.0 2.7 7.4 21.5 95 96 A S H 3> S+ 0 0 16 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.786 113.2 60.1 -48.3 -34.6 1.8 8.6 18.0 96 97 A E H 3> S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.839 107.7 44.5 -68.5 -30.4 5.5 8.3 16.9 97 98 A R H <> S+ 0 0 14 -3,-1.4 6,-1.8 2,-0.2 4,-1.3 0.861 112.2 51.1 -79.2 -36.6 5.4 4.6 17.8 98 99 A R H < S+ 0 0 43 -4,-2.0 4,-0.3 4,-0.2 -2,-0.2 0.891 119.6 39.5 -61.6 -37.3 2.1 4.1 16.1 99 100 A K H < S+ 0 0 131 -4,-2.3 3,-0.2 -5,-0.2 -2,-0.2 0.975 127.3 25.8 -78.0 -61.5 3.5 5.8 13.0 100 101 A Y H < S+ 0 0 62 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.767 133.2 33.2 -79.7 -26.6 7.1 4.6 12.6 101 102 A F S < S- 0 0 54 -4,-1.3 -1,-0.2 -5,-0.4 -3,-0.2 0.266 100.9-122.6-118.4 10.2 6.8 1.2 14.4 102 103 A H - 0 0 134 -4,-0.3 -4,-0.2 -3,-0.2 2,-0.2 0.787 40.2-178.4 54.9 35.5 3.2 0.3 13.4 103 104 A E - 0 0 15 -6,-1.8 -1,-0.2 -9,-0.1 2,-0.2 -0.481 11.7-153.9 -64.0 131.0 2.1 -0.1 17.0 104 105 A T > - 0 0 69 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.546 30.3-101.8-104.5 169.0 -1.5 -1.1 17.0 105 106 A D H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.880 124.9 53.2 -51.5 -41.3 -4.4 -0.8 19.5 106 107 A E H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.881 106.4 51.4 -67.4 -37.8 -3.8 -4.4 20.5 107 108 A D H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.923 109.8 50.5 -60.7 -44.3 -0.1 -3.7 21.1 108 109 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.935 110.9 49.2 -57.4 -47.9 -1.2 -0.8 23.4 109 110 A R H X S+ 0 0 51 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.934 112.4 46.9 -58.0 -48.2 -3.6 -3.1 25.2 110 111 A E H X S+ 0 0 64 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.873 112.1 50.4 -66.4 -37.6 -1.0 -5.8 25.8 111 112 A K H X S+ 0 0 8 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.911 112.2 47.6 -63.8 -42.1 1.6 -3.2 26.9 112 113 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.927 110.5 51.7 -65.3 -44.2 -0.9 -1.8 29.4 113 114 A Q H X S+ 0 0 106 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.930 113.0 45.0 -57.9 -46.2 -1.9 -5.2 30.7 114 115 A A H X S+ 0 0 17 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.903 113.3 51.2 -64.5 -41.5 1.8 -6.1 31.3 115 116 A S H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 3,-0.2 0.943 112.8 43.3 -62.8 -48.5 2.5 -2.7 32.9 116 117 A L H ><5S+ 0 0 23 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.887 109.0 58.3 -68.7 -36.6 -0.5 -2.9 35.4 117 118 A K H 3<5S+ 0 0 116 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.850 109.9 45.6 -56.4 -37.1 0.3 -6.6 36.2 118 119 A N T 3<5S- 0 0 36 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.128 120.7-109.3 -96.4 16.7 3.8 -5.4 37.3 119 120 A N T < 5 + 0 0 114 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.801 68.7 144.2 63.7 35.2 2.4 -2.5 39.2 120 121 A L < - 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