==== 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 2VFG . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR P.GAYATHRI,M.BANERJEE,A.VIJAYALAKSHMI,H.BALARAM,P.BALARAM, . 986 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 678 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 75 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 1 8 14 5 0 1 3 0 4 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 0 12 4 4 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 . 4 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 4 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,-0.3 0, 0.0 200,-0.0 0.000 360.0 360.0 360.0 154.6 45.1 -3.9 -8.2 2 3 A R - 0 0 64 201,-0.1 2,-0.5 1,-0.1 201,-0.1 -0.596 360.0-120.0 -78.3 136.3 42.2 -2.4 -6.1 3 4 A K - 0 0 70 -2,-0.3 33,-0.2 199,-0.2 -1,-0.1 -0.653 34.8-120.6 -75.0 122.3 42.7 -2.3 -2.3 4 5 A Y E -a 36 0A 79 31,-0.6 33,-2.7 -2,-0.5 2,-0.4 -0.270 22.2-151.6 -69.1 155.0 39.9 -4.4 -0.7 5 6 A F E -ab 37 227A 0 221,-2.3 223,-1.0 31,-0.2 2,-0.6 -0.956 12.7-176.8-137.8 110.0 37.4 -2.7 1.7 6 7 A V E -ab 38 228A 0 31,-3.1 33,-2.0 -2,-0.4 2,-0.4 -0.940 13.8-169.2-112.6 115.7 35.6 -4.6 4.5 7 8 A A E -ab 39 229A 0 221,-3.0 223,-3.0 -2,-0.6 2,-0.7 -0.853 15.9-150.1-113.7 139.7 33.1 -2.4 6.5 8 9 A A E -ab 40 230A 0 31,-3.4 33,-3.3 -2,-0.4 2,-1.0 -0.890 9.4-170.7-109.0 102.0 31.3 -3.1 9.8 9 10 A N E +a 41 0A 3 221,-2.7 225,-0.2 -2,-0.7 226,-0.1 -0.810 6.3 179.0 -92.1 99.0 27.9 -1.4 10.0 10 11 A W - 0 0 2 31,-1.5 -1,-0.2 -2,-1.0 3,-0.1 0.606 21.2-171.2 -74.3 -12.2 26.9 -1.9 13.6 11 12 A K - 0 0 28 30,-0.4 2,-1.4 1,-0.2 -1,-0.2 -0.180 60.6 -17.9 53.3-143.7 23.7 0.1 13.0 12 13 A C B S+I 318 0B 0 306,-1.6 306,-2.0 304,-0.1 2,-0.3 -0.521 112.7 104.6 -91.8 68.5 21.6 0.9 16.1 13 14 A N + 0 0 36 -2,-1.4 30,-0.4 304,-0.2 -3,-0.1 -0.978 38.1 64.9-144.3 153.2 23.2 -1.8 18.3 14 15 A G - 0 0 15 -2,-0.3 2,-0.3 28,-0.1 3,-0.0 -0.016 41.2-134.2 118.2 147.5 25.7 -2.2 21.1 15 16 A T > - 0 0 52 316,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.816 38.4-104.8-120.8 168.3 26.6 -1.6 24.8 16 17 A L H > S+ 0 0 52 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.873 122.4 45.4 -59.3 -39.0 29.9 -0.4 26.3 17 18 A E H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 111.8 49.8 -73.2 -41.1 30.6 -3.9 27.5 18 19 A S H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.829 111.0 50.1 -68.4 -34.3 29.6 -5.7 24.3 19 20 A I H X S+ 0 0 3 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.893 108.1 53.4 -68.2 -41.8 31.8 -3.3 22.2 20 21 A K H X S+ 0 0 56 -4,-1.6 4,-1.1 -5,-0.2 -2,-0.2 0.885 113.4 43.4 -58.5 -41.5 34.8 -4.0 24.6 21 22 A S H X S+ 0 0 66 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.871 116.4 46.9 -70.9 -40.1 34.3 -7.7 24.1 22 23 A L H X S+ 0 0 15 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.889 111.1 49.5 -72.0 -41.9 33.8 -7.4 20.3 23 24 A T H X S+ 0 0 2 -4,-3.1 4,-2.3 1,-0.2 32,-0.2 0.793 106.4 57.6 -68.3 -30.5 36.8 -5.0 19.7 24 25 A N H X S+ 0 0 100 -4,-1.1 4,-0.6 -5,-0.3 -1,-0.2 0.872 108.5 45.1 -67.1 -39.6 39.1 -7.4 21.7 25 26 A S H < S+ 0 0 24 -4,-1.2 3,-0.4 2,-0.2 4,-0.4 0.848 112.4 52.8 -69.7 -37.0 38.3 -10.3 19.4 26 27 A F H >< S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.900 104.0 56.4 -63.6 -43.2 38.8 -7.9 16.4 27 28 A N H 3< S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.702 93.9 69.2 -62.6 -23.2 42.2 -6.9 17.6 28 29 A N T 3< S+ 0 0 125 -4,-0.6 2,-0.4 -3,-0.4 -1,-0.3 0.692 79.4 93.8 -69.8 -20.6 43.4 -10.5 17.7 29 30 A L S < S- 0 0 20 -3,-1.5 2,-0.7 -4,-0.4 -3,-0.0 -0.644 70.3-146.0 -78.2 125.3 43.3 -10.6 13.8 30 31 A D + 0 0 141 -2,-0.4 2,-0.3 2,-0.0 -2,-0.1 -0.836 36.4 144.4 -97.0 110.9 46.7 -9.8 12.3 31 32 A F - 0 0 12 -2,-0.7 26,-0.0 5,-0.0 213,-0.0 -0.975 50.5-112.4-142.6 157.6 46.4 -7.9 9.0 32 33 A D >> - 0 0 89 -2,-0.3 3,-1.4 1,-0.1 4,-1.1 -0.829 17.8-160.7 -92.1 115.7 48.3 -5.2 7.1 33 34 A P T 34 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.640 88.6 67.2 -69.7 -15.2 46.2 -2.0 6.9 34 35 A S T 34 S+ 0 0 77 1,-0.2 3,-0.1 3,-0.1 -2,-0.0 0.557 112.6 31.5 -79.4 -8.9 48.3 -0.7 4.0 35 36 A K T <4 S+ 0 0 156 -3,-1.4 -31,-0.6 1,-0.3 2,-0.4 0.510 125.1 38.2-122.1 -15.6 46.9 -3.6 1.8 36 37 A L E < -a 4 0A 8 -4,-1.1 2,-0.6 -33,-0.2 -1,-0.3 -0.982 67.1-143.8-144.0 128.1 43.4 -4.0 3.3 37 38 A D E +a 5 0A 16 -33,-2.7 -31,-3.1 -2,-0.4 2,-0.5 -0.819 19.6 178.2 -91.0 122.5 40.9 -1.4 4.5 38 39 A V E -a 6 0A 0 -2,-0.6 21,-3.1 19,-0.4 2,-0.4 -0.973 7.2-176.2-125.6 115.6 38.8 -2.5 7.5 39 40 A V E -ac 7 59A 0 -33,-2.0 -31,-3.4 -2,-0.5 2,-0.5 -0.936 13.3-157.4-120.5 132.5 36.4 0.1 8.8 40 41 A V E -ac 8 60A 0 19,-2.4 21,-1.8 -2,-0.4 -31,-0.2 -0.927 3.5-163.5-109.3 127.5 34.1 -0.1 11.9 41 42 A F E +a 9 0A 0 -33,-3.3 -31,-1.5 -2,-0.5 -30,-0.4 -0.803 17.5 174.3-112.5 88.4 31.0 2.2 12.1 42 43 A P - 0 0 0 0, 0.0 21,-0.5 0, 0.0 5,-0.1 -0.290 45.1 -73.8 -81.9 174.6 29.6 2.4 15.6 43 44 A V > - 0 0 1 -30,-0.4 3,-1.8 19,-0.1 4,-0.5 -0.393 50.8-109.5 -61.4 145.6 26.8 4.6 16.9 44 45 A S G > S+ 0 0 22 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.865 120.2 49.8 -47.6 -47.5 27.8 8.2 17.2 45 46 A V G 3 S+ 0 0 5 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.658 110.7 52.1 -68.5 -17.4 27.8 8.2 21.0 46 47 A H G <> S+ 0 0 0 -3,-1.8 4,-2.6 1,-0.1 -1,-0.3 0.411 82.8 95.9 -94.7 -1.2 30.0 5.0 20.9 47 48 A Y H <> S+ 0 0 5 -3,-1.3 4,-3.1 -4,-0.5 5,-0.2 0.922 84.6 43.4 -59.2 -52.9 32.6 6.4 18.6 48 49 A D H > S+ 0 0 40 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.902 115.9 49.7 -60.1 -44.4 35.2 7.5 21.2 49 50 A H H > S+ 0 0 45 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.917 115.5 43.2 -57.5 -48.0 34.8 4.3 23.1 50 51 A T H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.885 112.4 52.1 -68.6 -42.6 35.2 2.2 19.9 51 52 A R H < S+ 0 0 66 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.888 110.4 48.2 -62.8 -41.8 38.2 4.3 18.6 52 53 A K H < S+ 0 0 109 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.848 114.7 45.5 -66.7 -36.6 40.1 3.9 21.8 53 54 A L H < S+ 0 0 57 -4,-1.4 2,-0.2 -5,-0.2 -2,-0.2 0.827 99.2 79.6 -79.0 -35.1 39.6 0.2 22.1 54 55 A L S < S- 0 0 8 -4,-2.2 -30,-0.1 -5,-0.1 -31,-0.0 -0.546 84.2-116.2 -78.0 138.8 40.4 -0.7 18.4 55 56 A Q > - 0 0 96 -32,-0.2 3,-2.1 -2,-0.2 -1,-0.1 -0.318 32.9-103.6 -67.6 156.5 44.0 -1.0 17.3 56 57 A S T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.1 0.670 115.4 73.3 -61.4 -20.3 45.2 1.5 14.6 57 58 A K T 3 S+ 0 0 29 -30,-0.1 2,-0.5 2,-0.1 -19,-0.4 0.791 87.9 76.0 -61.2 -29.7 45.0 -1.1 11.9 58 59 A F S < S- 0 0 0 -3,-2.1 2,-0.2 -21,-0.1 -19,-0.2 -0.745 77.2-146.6 -85.6 126.8 41.2 -0.7 12.1 59 60 A S E -c 39 0A 16 -21,-3.1 -19,-2.4 -2,-0.5 2,-0.3 -0.586 15.8-153.3 -84.4 155.0 39.8 2.5 10.5 60 61 A T E +c 40 0A 2 -21,-0.2 29,-1.4 -2,-0.2 28,-0.8 -0.926 19.4 156.7-131.3 156.5 36.7 4.1 12.1 61 62 A G E -d 89 0A 0 -21,-1.8 2,-0.3 -2,-0.3 29,-0.2 -0.925 34.8 -95.9-159.1-176.9 33.8 6.2 11.0 62 63 A I E -d 90 0A 3 27,-2.0 29,-1.6 -2,-0.3 -19,-0.1 -0.843 23.0-129.5-116.5 155.4 30.2 7.4 11.7 63 64 A Q S S+ 0 0 6 -21,-0.5 2,-0.3 -2,-0.3 31,-0.2 0.583 88.2 15.6 -81.5 -13.8 26.9 6.1 10.2 64 65 A N - 0 0 29 258,-0.1 2,-0.3 28,-0.1 28,-0.1 -0.985 59.2-163.9-156.4 152.9 25.5 9.5 9.1 65 66 A V - 0 0 1 26,-0.3 13,-0.2 -2,-0.3 50,-0.1 -0.992 30.8-102.9-140.4 145.9 26.7 13.0 8.5 66 67 A S - 0 0 0 11,-3.1 13,-0.4 -2,-0.3 48,-0.1 -0.306 7.1-145.4 -68.6 147.4 24.8 16.3 8.2 67 68 A K S S+ 0 0 50 11,-0.1 2,-0.2 47,-0.1 -1,-0.1 0.576 86.9 75.8 -78.7 -15.1 24.1 18.0 4.9 68 69 A F S S- 0 0 40 1,-0.1 11,-0.4 9,-0.1 -2,-0.1 -0.647 76.7-136.8 -94.5 153.6 24.5 21.2 6.9 69 70 A G - 0 0 42 -2,-0.2 -1,-0.1 1,-0.2 190,-0.1 -0.106 57.3 -42.1 -85.4-165.4 27.6 22.8 8.2 70 71 A N S S+ 0 0 51 -2,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.353 95.7 72.3 -63.9 140.1 28.0 24.3 11.7 71 72 A G B S-J 259 0C 17 188,-2.1 2,-2.1 2,-0.1 188,-1.7 -0.988 90.0 -11.6 152.6-158.6 25.1 26.3 13.0 72 73 A S S S+ 0 0 66 -2,-0.3 2,-0.3 186,-0.2 186,-0.1 -0.472 80.6 122.2 -80.7 73.8 21.5 26.2 14.3 73 74 A Y > - 0 0 57 -2,-2.1 3,-1.8 3,-0.1 -2,-0.1 -0.727 51.9-149.8-136.4 83.1 20.7 22.5 13.5 74 75 A T T 3 S+ 0 0 1 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.289 79.6 16.1 -59.0 129.5 19.8 20.7 16.6 75 76 A G T 3 S+ 0 0 25 1,-0.3 -1,-0.2 183,-0.1 2,-0.2 0.399 98.6 125.9 90.2 0.1 20.7 17.0 16.6 76 77 A E < - 0 0 9 -3,-1.8 2,-0.5 234,-0.1 -1,-0.3 -0.628 48.7-153.9 -98.4 149.4 23.1 17.2 13.7 77 78 A V - 0 0 17 -2,-0.2 -11,-3.1 -3,-0.1 182,-0.1 -0.946 21.2-153.2-119.4 106.8 26.7 16.2 13.2 78 79 A S > - 0 0 0 -2,-0.5 4,-1.8 -13,-0.2 -9,-0.1 -0.334 24.8-119.7 -76.4 158.9 28.5 18.2 10.6 79 80 A A H > S+ 0 0 1 -11,-0.4 4,-2.0 -13,-0.4 5,-0.1 0.779 115.1 60.4 -64.7 -29.4 31.5 17.1 8.5 80 81 A E H > S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.893 106.0 45.5 -64.6 -42.6 33.4 20.0 10.1 81 82 A I H > S+ 0 0 1 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.878 111.7 52.7 -67.1 -40.4 32.9 18.5 13.5 82 83 A A H <>S+ 0 0 0 -4,-1.8 5,-2.7 1,-0.2 -2,-0.2 0.864 107.6 51.8 -63.3 -38.6 33.8 15.1 12.3 83 84 A K H ><5S+ 0 0 89 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.884 105.9 53.8 -65.0 -41.8 37.1 16.4 10.8 84 85 A D H 3<5S+ 0 0 59 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.811 109.7 48.3 -63.4 -32.0 38.1 18.1 14.1 85 86 A L T 3<5S- 0 0 21 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.389 115.4-119.0 -86.4 1.6 37.6 14.7 15.9 86 87 A N T < 5 + 0 0 126 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.751 50.2 169.4 60.9 28.4 39.7 13.0 13.1 87 88 A I < - 0 0 3 -5,-2.7 -1,-0.2 1,-0.2 -26,-0.1 -0.609 16.3-165.7 -67.8 120.9 36.8 10.8 12.1 88 89 A E + 0 0 63 -28,-0.8 33,-3.0 -2,-0.5 2,-0.3 0.908 57.2 36.3 -82.0 -45.5 38.0 9.2 8.9 89 90 A Y E -de 61 121A 5 -29,-1.4 -27,-2.0 31,-0.2 2,-0.3 -0.758 54.8-170.0-117.0 155.7 34.9 7.7 7.3 90 91 A V E -de 62 122A 0 31,-1.6 33,-3.2 -2,-0.3 2,-0.5 -0.982 19.1-134.7-136.4 149.9 31.2 8.4 6.9 91 92 A I E - e 0 123A 1 -29,-1.6 2,-0.4 -2,-0.3 -26,-0.3 -0.931 27.0-176.2-102.5 129.3 28.1 6.5 5.6 92 93 A I E + e 0 124A 0 31,-2.4 33,-3.1 -2,-0.5 -28,-0.1 -0.990 58.7 8.6-128.1 131.8 25.9 8.4 3.3 93 94 A G + 0 0 1 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.708 68.8 174.6 78.8 23.2 22.6 7.3 1.7 94 95 A H >> - 0 0 6 -31,-0.2 3,-2.0 1,-0.1 4,-1.4 -0.413 40.4-121.0 -60.5 136.5 22.0 4.0 3.6 95 96 A H H 3> S+ 0 0 26 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.738 110.3 63.3 -58.2 -27.6 18.6 2.7 2.5 96 97 A E H 3> S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.783 105.5 46.3 -66.5 -28.8 17.3 2.7 6.2 97 98 A R H <> S+ 0 0 16 -3,-2.0 6,-1.9 2,-0.2 4,-1.1 0.795 113.7 47.9 -81.3 -32.3 17.8 6.5 6.2 98 99 A R H < S+ 0 0 50 -4,-1.4 4,-0.3 4,-0.2 -2,-0.2 0.806 116.1 47.6 -70.1 -31.9 16.0 6.8 2.8 99 100 A K H < S+ 0 0 136 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.942 129.2 13.3 -76.3 -52.7 13.3 4.5 4.1 100 101 A Y H < S+ 0 0 75 -4,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.635 127.0 47.9-103.7 -18.8 12.4 6.1 7.5 101 102 A F S < S- 0 0 44 -4,-1.1 -1,-0.1 -5,-0.3 -3,-0.1 0.063 100.5-113.1-122.4 24.7 14.1 9.5 7.6 102 103 A H + 0 0 103 -4,-0.3 2,-0.3 1,-0.2 -4,-0.2 0.605 52.6 168.5 59.5 17.1 13.1 11.1 4.2 103 104 A E - 0 0 13 -6,-1.9 -1,-0.2 -9,-0.1 2,-0.2 -0.468 12.7-171.4 -68.5 123.7 16.7 11.0 2.9 104 105 A T > - 0 0 71 -2,-0.3 4,-1.9 1,-0.0 5,-0.1 -0.480 39.6 -96.7-108.7 177.0 16.7 11.8 -0.8 105 106 A D H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.827 124.8 52.3 -62.1 -35.0 19.2 11.8 -3.7 106 107 A E H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.821 106.2 53.1 -73.2 -33.1 19.8 15.5 -3.2 107 108 A D H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.907 107.7 52.5 -62.4 -44.1 20.5 15.0 0.5 108 109 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.894 109.5 49.2 -57.3 -44.9 23.1 12.4 -0.5 109 110 A R H X S+ 0 0 54 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.942 111.6 47.0 -60.5 -51.6 24.8 14.9 -2.8 110 111 A E H X S+ 0 0 68 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.815 112.0 51.9 -63.1 -33.3 24.9 17.7 -0.2 111 112 A K H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.911 112.0 44.9 -67.9 -45.4 26.3 15.2 2.4 112 113 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.901 112.2 53.1 -64.6 -43.0 29.1 14.0 0.1 113 114 A Q H X S+ 0 0 90 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.934 113.1 43.1 -55.3 -50.5 29.9 17.6 -0.9 114 115 A A H X S+ 0 0 16 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.879 114.4 51.3 -64.1 -41.0 30.2 18.6 2.8 115 116 A S H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 3,-0.3 0.919 112.4 43.8 -63.9 -47.8 32.2 15.4 3.6 116 117 A L H ><5S+ 0 0 17 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.877 108.2 58.7 -68.2 -38.6 34.7 15.9 0.8 117 118 A K H 3<5S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.813 109.3 46.2 -56.5 -33.1 35.1 19.6 1.6 118 119 A N T 3<5S- 0 0 47 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.027 121.5-106.9-102.0 24.6 36.2 18.6 5.1 119 120 A N T < 5 + 0 0 127 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.802 69.6 146.2 55.6 37.7 38.6 15.9 3.9 120 121 A L < - 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0 0 17 -5,-1.8 4,-1.7 1,-0.1 -1,-0.2 -0.859 32.8 -80.1 155.4 170.8 91.2 41.6 20.7 939 198 D E H > S+ 0 0 63 -2,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.860 123.6 46.9 -67.9 -39.8 90.6 44.5 18.2 940 199 D K H > S+ 0 0 108 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.876 112.3 49.9 -70.8 -39.2 88.0 42.6 16.1 941 200 D Q H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.844 110.8 50.5 -66.7 -36.0 86.1 41.4 19.1 942 201 D A H < S+ 0 0 3 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.851 110.2 49.4 -68.8 -36.8 86.0 44.9 20.5 943 202 D N H < S+ 0 0 93 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.546 112.7 50.4 -79.6 -9.1 84.7 46.2 17.2 944 203 D Q H < S+ 0 0 62 -4,-0.5 -199,-0.2 -3,-0.3 -2,-0.2 0.845 89.0 92.2 -89.1 -44.4 82.0 43.5 17.2 945 204 D I < - 0 0 0 -4,-1.8 2,-0.4 1,-0.1 -43,-0.1 -0.268 69.6-133.3 -69.7 133.3 80.5 43.9 20.7 946 205 D R E -i 902 0H 10 -45,-0.5 -43,-2.6 -48,-0.4 2,-0.5 -0.721 18.6-167.2 -82.1 128.1 77.5 46.1 21.3 947 206 D I E -i 903 0H 0 -2,-0.4 21,-2.6 -45,-0.2 22,-0.4 -0.965 10.4-165.3-120.2 113.9 77.9 48.4 24.3 948 207 D L E -i 904 0H 0 -45,-3.6 -43,-2.9 -2,-0.5 2,-0.4 -0.684 22.5-117.6-102.5 149.8 74.7 50.1 25.4 949 208 D Y E -ij 905 970H 10 20,-2.4 22,-2.1 -2,-0.3 -43,-0.2 -0.733 24.6-173.7 -81.7 129.3 73.9 53.0 27.7 950 209 D G + 0 0 11 -45,-3.2 -44,-0.1 -2,-0.4 -1,-0.1 0.072 50.4 96.1-115.7 21.2 71.9 51.9 30.8 951 210 D G S S- 0 0 10 -46,-0.2 2,-0.5 1,-0.2 22,-0.3 -0.092 94.1 -41.8 -88.1-162.6 71.2 55.2 32.4 952 211 D S - 0 0 93 20,-0.1 2,-0.4 -35,-0.1 -1,-0.2 -0.526 64.2-178.3 -71.0 117.5 68.1 57.3 32.0 953 212 D V + 0 0 5 -2,-0.5 22,-0.4 18,-0.1 2,-0.2 -0.979 8.9 156.9-122.4 128.5 67.0 57.3 28.4 954 213 D N > - 0 0 61 -2,-0.4 4,-1.4 18,-0.1 3,-0.5 -0.747 57.0 -85.9-135.2-176.8 64.0 59.3 27.0 955 214 D T T 4 S+ 0 0 47 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.744 123.3 50.7 -64.2 -24.1 62.6 60.7 23.7 956 215 D E T 4 S+ 0 0 163 1,-0.1 -1,-0.2 2,-0.1 4,-0.2 0.679 118.9 30.6 -93.2 -20.7 64.6 64.0 24.3 957 216 D N T > S+ 0 0 41 -3,-0.5 4,-1.5 2,-0.1 -2,-0.2 0.493 93.3 89.5-114.1 -7.6 68.1 62.6 25.0 958 217 D C H X S+ 0 0 2 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.849 87.7 51.1 -62.4 -38.1 68.2 59.3 22.9 959 218 D S H > S+ 0 0 61 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.894 108.9 50.1 -66.1 -42.5 69.5 61.0 19.8 960 219 D S H 4 S+ 0 0 42 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.795 114.2 46.7 -66.6 -29.4 72.4 62.7 21.6 961 220 D L H >< S+ 0 0 2 -4,-1.5 3,-1.2 2,-0.2 6,-0.2 0.926 111.2 48.2 -76.8 -48.8 73.3 59.4 23.2 962 221 D I H 3< S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.742 101.9 66.0 -66.1 -24.8 73.2 57.2 20.0 963 222 D Q T 3< S+ 0 0 156 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.723 78.0 103.9 -69.2 -23.5 75.3 59.8 18.1 964 223 D Q S X S- 0 0 40 -3,-1.2 3,-1.3 -4,-0.3 -44,-0.0 -0.393 81.6-122.6 -64.1 137.8 78.3 59.0 20.4 965 224 D E T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.735 105.6 33.7 -56.0 -32.0 80.9 56.8 18.6 966 225 D D T 3 S+ 0 0 26 -20,-0.0 2,-0.7 2,-0.0 -1,-0.3 0.287 91.3 97.7-114.9 9.0 80.9 54.0 21.1 967 226 D I < + 0 0 0 -3,-1.3 -19,-0.2 -6,-0.2 3,-0.1 -0.895 45.1 179.4 -98.6 113.1 77.2 53.9 22.3 968 227 D D - 0 0 1 -21,-2.6 -221,-2.2 -2,-0.7 2,-0.3 0.224 58.3 -53.8-101.3 12.4 75.5 51.2 20.3 969 228 D G E -d 747 0H 0 -22,-0.4 -20,-2.4 -223,-0.2 2,-0.3 -0.963 61.8 -83.8 146.0-163.2 72.0 51.6 21.8 970 229 D F E -dj 748 949H 0 -223,-1.0 -221,-2.7 -2,-0.3 2,-0.7 -0.983 8.9-136.8-143.6 150.2 70.2 51.7 25.2 971 230 D L E -d 749 0H 8 -22,-2.1 2,-0.4 -2,-0.3 -221,-0.2 -0.942 43.7-152.7-100.0 103.6 68.6 49.5 27.9 972 231 D V E -d 750 0H 0 -223,-2.9 -221,-2.7 -2,-0.7 -20,-0.1 -0.651 16.6-173.2 -92.2 131.6 65.5 51.7 28.4 973 232 D G > - 0 0 17 -2,-0.4 3,-1.7 -22,-0.3 4,-0.2 0.682 68.0 -8.7 -85.5-116.1 63.6 51.9 31.7 974 233 D N G > S+ 0 0 87 1,-0.3 3,-1.3 2,-0.2 4,-0.1 0.686 123.8 68.3 -64.7 -22.7 60.3 53.7 32.2 975 234 D A G > S+ 0 0 11 -22,-0.4 3,-0.9 1,-0.2 -1,-0.3 0.692 91.6 63.2 -69.0 -18.9 60.3 55.4 28.8 976 235 D S G < S+ 0 0 0 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.549 90.7 66.5 -81.1 -9.1 59.8 51.9 27.3 977 236 D L G < S+ 0 0 53 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.2 0.413 93.8 78.6 -87.0 -0.6 56.4 51.7 29.1 978 237 D K S X S- 0 0 121 -3,-0.9 3,-1.6 1,-0.1 4,-0.1 -0.771 86.1-122.6-112.3 154.2 55.1 54.5 26.9 979 238 D E T > S+ 0 0 109 -2,-0.3 3,-1.2 1,-0.3 4,-0.1 0.736 108.2 71.0 -63.3 -24.0 53.8 54.6 23.3 980 239 D S T >> + 0 0 43 1,-0.2 3,-1.5 2,-0.1 4,-0.7 0.472 68.4 94.3 -73.7 -2.9 56.5 57.1 22.5 981 240 D F H X> S+ 0 0 0 -3,-1.6 4,-2.0 1,-0.3 3,-0.5 0.770 71.9 70.4 -58.8 -26.8 59.2 54.4 22.9 982 241 D V H <> S+ 0 0 24 -3,-1.2 4,-2.1 1,-0.2 -1,-0.3 0.804 93.9 54.5 -59.1 -31.9 58.9 54.0 19.1 983 242 D D H <> S+ 0 0 80 -3,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.772 105.2 52.5 -74.2 -28.5 60.6 57.4 18.7 984 243 D I H << S+ 0 0 0 -4,-0.7 4,-0.5 -3,-0.5 3,-0.3 0.874 110.3 48.1 -71.3 -40.1 63.5 56.1 20.8 985 244 D I H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.911 107.3 57.5 -61.1 -43.4 63.8 53.1 18.5 986 245 D K H >< S+ 0 0 123 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.749 94.4 66.0 -59.5 -28.1 63.6 55.6 15.5 987 246 D S T 3< S+ 0 0 24 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.733 103.5 45.9 -67.5 -23.5 66.7 57.4 16.9 988 247 D A T < 0 0 8 -3,-1.5 -1,-0.3 -4,-0.5 -242,-0.2 0.231 360.0 360.0-101.6 10.6 68.8 54.3 16.2 989 248 D M < 0 0 133 -3,-1.3 -216,-0.0 -4,-0.1 -3,-0.0 -0.474 360.0 360.0-106.2 360.0 67.4 53.8 12.7