==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-JUL-99 1QDS . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR A.M.LAMBEIR,J.BACKMANN,J.RUIZ-SANZ,V.FILIMONOV,J.E.NIELSEN,G . 250 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 15.2 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 . 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 . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 4 1 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 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 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 0 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 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 S 0 0 159 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.1 36.7 1.6 18.5 2 2 A A - 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.885 360.0-143.8-132.4 127.7 34.7 4.1 16.5 3 3 A K - 0 0 62 -2,-0.3 202,-0.1 1,-0.0 204,-0.1 -0.969 22.2-110.9 -82.5 158.5 31.0 3.3 15.6 4 4 A P - 0 0 29 0, 0.0 201,-0.1 0, 0.0 202,-0.1 -0.104 58.7 -62.8 -69.0 176.8 29.5 4.4 12.3 5 5 A Q - 0 0 60 200,-0.1 32,-0.1 1,-0.1 224,-0.0 -0.370 62.2-124.8 -66.3 128.2 26.8 7.2 12.3 6 6 A P - 0 0 11 0, 0.0 32,-2.6 0, 0.0 2,-0.4 -0.221 17.1-147.0 -74.4 156.7 23.8 6.0 14.3 7 7 A I E -ab 38 230A 0 222,-1.8 224,-1.7 30,-0.2 2,-0.5 -0.997 9.3-167.7-124.6 133.7 20.2 5.9 13.0 8 8 A A E -ab 39 231A 0 30,-2.0 32,-2.3 -2,-0.4 2,-0.5 -0.982 19.8-171.4-117.0 114.2 17.0 6.5 15.0 9 9 A A E -ab 40 232A 2 222,-2.8 224,-2.7 -2,-0.5 2,-0.7 -0.907 16.0-152.8-118.2 128.9 14.1 5.4 12.8 10 10 A A E -ab 41 233A 0 30,-3.7 32,-2.7 -2,-0.5 2,-0.9 -0.880 6.7-169.3 -98.3 112.2 10.4 5.9 13.5 11 11 A N E -a 42 0A 8 222,-3.3 226,-0.2 -2,-0.7 227,-0.1 -0.870 4.6-178.3 -98.9 98.8 8.1 3.3 12.0 12 12 A W - 0 0 2 30,-1.5 -1,-0.1 -2,-0.9 3,-0.1 0.568 19.7-167.1 -69.6 -11.7 4.7 4.7 12.4 13 13 A K - 0 0 40 29,-0.4 2,-1.3 1,-0.2 -1,-0.2 -0.196 60.6 -22.0 53.3-148.6 3.1 1.6 10.8 14 14 A C S S+ 0 0 118 29,-0.1 2,-0.3 30,-0.1 -1,-0.2 -0.587 111.8 105.7 -93.1 66.8 -0.6 2.0 9.9 15 15 A N + 0 0 79 -2,-1.3 29,-0.4 -3,-0.1 2,-0.1 -0.986 34.9 74.0-140.7 160.4 -1.3 4.8 12.4 16 16 A G - 0 0 36 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 -0.265 41.0-138.7 118.5 145.2 -2.0 8.5 12.5 17 17 A T > - 0 0 79 -2,-0.1 4,-2.9 1,-0.1 5,-0.3 -0.912 38.0-106.6-120.8 168.9 -4.4 11.3 11.8 18 18 A T H > S+ 0 0 90 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.908 121.7 47.7 -60.1 -40.9 -3.7 14.7 10.2 19 19 A A H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.877 113.8 44.2 -64.8 -48.5 -4.2 16.3 13.6 20 20 A S H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.903 114.3 50.3 -71.5 -29.0 -2.0 13.8 15.6 21 21 A I H X S+ 0 0 4 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.924 106.8 54.2 -74.2 -38.0 0.7 13.9 13.0 22 22 A E H X S+ 0 0 71 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.958 110.9 46.4 -62.3 -40.0 0.8 17.7 12.9 23 23 A K H X S+ 0 0 149 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.910 113.7 47.2 -63.0 -50.9 1.3 17.8 16.7 24 24 A L H X S+ 0 0 18 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.909 109.8 52.6 -59.0 -43.9 4.0 15.1 16.7 25 25 A V H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 31,-0.2 0.907 107.2 53.3 -61.5 -37.3 6.0 16.7 13.9 26 26 A Q H X S+ 0 0 112 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.926 107.3 51.8 -61.5 -44.5 6.0 20.0 15.8 27 27 A V H X S+ 0 0 36 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.910 111.7 46.6 -53.0 -46.2 7.4 18.1 18.8 28 28 A F H < S+ 0 0 2 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.872 109.8 53.6 -68.8 -40.9 10.2 16.7 16.6 29 29 A N H < S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.780 108.4 49.8 -54.8 -40.9 10.9 20.1 14.9 30 30 A E H < S+ 0 0 157 -4,-1.7 2,-0.8 -3,-0.2 -1,-0.2 0.577 88.1 95.1 -84.0 -7.4 11.4 21.8 18.3 31 31 A H S < S- 0 0 22 -4,-0.7 2,-0.5 -3,-0.5 -1,-0.0 -0.731 70.0-146.0 -84.0 113.1 13.8 19.1 19.6 32 32 A T - 0 0 122 -2,-0.8 2,-0.6 2,-0.0 -2,-0.1 -0.622 8.9-155.5 -80.3 122.3 17.3 20.3 18.9 33 33 A I - 0 0 13 -2,-0.5 4,-0.1 1,-0.1 -1,-0.0 -0.851 13.3-178.7-104.1 124.2 19.7 17.5 18.1 34 34 A S + 0 0 92 -2,-0.6 2,-0.2 2,-0.1 -1,-0.1 0.247 56.3 65.2-110.3 10.3 23.3 18.2 18.9 35 35 A H S S- 0 0 30 2,-0.0 2,-0.9 215,-0.0 215,-0.1 -0.723 92.9 -89.1-126.8 170.7 25.1 15.0 17.8 36 36 A D + 0 0 103 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.817 67.8 135.0 -82.6 106.1 25.6 13.3 14.4 37 37 A V - 0 0 4 -2,-0.9 2,-0.7 -32,-0.1 -30,-0.2 -0.964 51.2-130.7-148.8 137.7 22.7 10.9 14.0 38 38 A Q E -a 7 0A 41 -32,-2.6 -30,-2.0 -2,-0.3 2,-0.3 -0.944 25.6-159.1 -89.1 115.2 20.5 10.2 11.0 39 39 A C E -ac 8 60A 0 20,-2.8 22,-2.2 -2,-0.7 2,-0.4 -0.750 7.3-166.3 -92.9 147.1 16.8 10.4 12.1 40 40 A V E -ac 9 61A 1 -32,-2.3 -30,-3.7 -2,-0.3 2,-0.5 -0.998 9.2-166.8-136.4 130.1 14.2 8.7 9.9 41 41 A V E -ac 10 62A 2 20,-2.4 22,-3.0 -2,-0.4 -30,-0.2 -0.967 1.7-168.6-119.6 132.6 10.4 9.0 9.9 42 42 A A E +a 11 0A 0 -32,-2.7 -30,-1.5 -2,-0.5 -29,-0.4 -0.797 14.1 174.5-122.5 89.2 8.3 6.5 8.0 43 43 A P - 0 0 0 0, 0.0 22,-0.4 0, 0.0 -30,-0.1 -0.316 43.6 -79.6 -79.0 172.4 4.6 7.6 7.8 44 44 A T >> - 0 0 26 -29,-0.4 3,-1.7 1,-0.1 4,-0.6 -0.349 49.2-103.5 -66.4 159.2 1.9 5.8 5.8 45 45 A F G >4 S+ 0 0 75 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.829 121.4 55.3 -49.8 -45.1 1.9 6.5 2.1 46 46 A V G 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.669 107.7 48.5 -66.1 -21.7 -1.0 8.9 2.4 47 47 A H G <> S+ 0 0 24 -3,-1.7 4,-2.7 2,-0.1 5,-0.3 0.347 81.8 95.5 -98.1 -6.1 0.8 11.0 5.0 48 48 A I H S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.902 111.3 50.1 -69.6 -36.8 3.0 14.8 1.6 50 50 A L H > S+ 0 0 34 -4,-0.3 4,-1.5 1,-0.2 3,-0.2 0.970 113.1 46.2 -64.5 -44.1 1.8 16.2 4.9 51 51 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.892 109.9 54.0 -67.8 -35.6 5.0 15.2 6.7 52 52 A Q H < S+ 0 0 72 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.883 110.1 48.7 -62.4 -38.6 7.1 16.6 3.8 53 53 A A H < S+ 0 0 63 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.763 123.0 29.3 -71.3 -29.1 5.3 19.9 4.2 54 54 A K H < S+ 0 0 92 -4,-1.5 2,-0.4 -3,-0.2 -2,-0.2 0.622 91.2 95.7-105.6 -33.2 5.7 20.2 8.0 55 55 A L < + 0 0 26 -4,-2.5 -29,-0.1 -5,-0.2 -30,-0.0 -0.643 35.5 157.4 -72.0 121.9 8.9 18.4 9.0 56 56 A R + 0 0 189 -2,-0.4 -1,-0.2 -31,-0.2 -30,-0.0 0.501 27.6 119.0-121.8 -13.2 11.8 21.0 9.3 57 57 A N > - 0 0 14 1,-0.2 3,-2.1 2,-0.1 -28,-0.1 -0.405 58.3-144.0 -60.8 120.4 14.4 19.3 11.6 58 58 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.662 92.6 65.7 -69.8 -8.2 17.5 19.0 9.4 59 59 A K T 3 S+ 0 0 63 -21,-0.1 -20,-2.8 2,-0.0 2,-0.4 0.543 90.2 86.1 -86.2 -4.8 18.5 15.6 11.0 60 60 A Y E < -c 39 0A 18 -3,-2.1 2,-0.3 -22,-0.2 -20,-0.2 -0.792 48.9-177.0-101.2 149.0 15.5 13.8 9.6 61 61 A V E -c 40 0A 31 -22,-2.2 -20,-2.4 -2,-0.4 2,-0.4 -0.808 28.7-119.0-128.8 160.7 14.7 12.1 6.3 62 62 A I E -c 41 0A 28 -2,-0.3 28,-0.5 25,-0.2 27,-0.5 -0.874 28.8-170.5-102.4 135.6 11.4 10.6 5.3 63 63 A S E -d 90 0A 0 -22,-3.0 28,-0.2 -2,-0.4 2,-0.2 -0.953 19.9-127.1-117.9 155.1 11.1 6.8 4.5 64 64 A A E -d 91 0A 0 26,-2.2 28,-2.1 -2,-0.4 -20,-0.1 -0.591 16.8-134.1 -91.5 156.3 8.3 4.7 3.0 65 65 A Q S S- 0 0 43 -22,-0.4 2,-0.3 -2,-0.2 30,-0.2 0.507 81.5 -15.1 -81.8 -15.5 7.2 1.6 4.9 66 66 A N + 0 0 6 27,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.932 62.5 178.6-171.1 168.5 7.2 -0.6 1.8 67 67 A A - 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 12,-0.2 -0.935 25.2-120.2-166.3 170.1 7.3 -0.4 -2.1 68 68 A I B -i 79 0B 29 10,-2.0 12,-2.2 -2,-0.3 -2,-0.0 -0.758 30.6-117.4-112.8 165.1 7.4 -2.5 -5.2 69 69 A A S S+ 0 0 25 -2,-0.3 2,-0.4 10,-0.2 10,-0.1 0.794 86.4 30.3 -70.2 -40.9 10.2 -2.3 -7.8 70 70 A K S S- 0 0 110 10,-0.1 -1,-0.1 9,-0.1 -2,-0.0 -0.971 72.3-118.7-130.4 148.1 8.3 -1.1 -10.9 71 71 A S + 0 0 65 -2,-0.4 2,-0.3 8,-0.1 7,-0.1 -0.284 63.5 84.8 -72.3 157.4 5.3 1.0 -11.9 72 72 A G S S- 0 0 63 2,-0.1 2,-2.1 7,-0.0 7,-0.1 -0.993 83.9 -6.0 148.1-151.7 2.5 -0.7 -13.8 73 73 A A S S+ 0 0 99 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 -0.474 81.1 121.5 -86.6 68.5 -0.6 -2.8 -13.4 74 74 A F > - 0 0 112 -2,-2.1 3,-2.2 3,-0.1 -1,-0.1 -0.632 52.3-151.4-130.0 75.7 -0.5 -3.4 -9.7 75 75 A T T 3 S+ 0 0 149 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.165 78.6 14.7 -54.3 131.3 -3.7 -1.9 -8.2 76 76 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.101 103.2 104.4 99.5 -21.2 -3.1 -0.8 -4.6 77 77 A E < - 0 0 85 -3,-2.2 2,-0.4 -10,-0.0 -1,-0.3 -0.549 58.6-138.8 -98.2 166.5 0.7 -0.7 -4.5 78 78 A V - 0 0 32 -2,-0.2 -10,-2.0 -3,-0.1 2,-0.1 -0.963 21.2-142.7-125.3 134.1 3.2 2.1 -4.7 79 79 A S B > -i 68 0B 3 -2,-0.4 4,-2.0 -12,-0.2 -10,-0.2 -0.447 20.5-116.0-101.8 161.3 6.4 1.7 -6.7 80 80 A M H > S+ 0 0 0 -12,-2.2 4,-2.6 2,-0.2 5,-0.2 0.926 114.6 52.2 -58.2 -38.0 10.0 2.8 -6.2 81 81 A P H > S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.890 108.4 52.7 -69.7 -32.0 10.0 5.2 -9.2 82 82 A I H > S+ 0 0 87 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.944 110.3 46.5 -68.5 -41.5 6.9 6.9 -7.9 83 83 A L H <>S+ 0 0 3 -4,-2.0 5,-2.6 2,-0.2 4,-0.4 0.936 111.4 52.0 -65.2 -42.5 8.4 7.5 -4.4 84 84 A K H ><5S+ 0 0 88 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.955 104.9 56.6 -58.9 -43.3 11.6 8.8 -6.0 85 85 A D H 3<5S+ 0 0 138 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.865 108.0 47.1 -60.9 -31.7 9.6 11.3 -8.1 86 86 A I T 3<5S- 0 0 71 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.406 126.6 -98.0 -92.4 9.6 8.0 12.7 -4.9 87 87 A G T < 5S+ 0 0 50 -3,-2.1 2,-0.5 -4,-0.4 -25,-0.2 0.616 80.5 130.4 91.7 23.8 11.4 13.0 -3.2 88 88 A V < + 0 0 1 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.881 16.9 160.7-109.7 122.2 11.4 9.9 -1.0 89 89 A H + 0 0 80 -2,-0.5 33,-2.7 -27,-0.5 2,-0.3 0.131 51.1 78.8-135.8 28.3 14.6 7.9 -1.3 90 90 A W E +de 63 122A 11 -28,-0.5 -26,-2.2 31,-0.2 2,-0.3 -0.974 54.4 177.4-120.3 151.5 14.6 5.8 1.8 91 91 A V E -de 64 123A 0 31,-1.9 33,-2.7 -2,-0.3 2,-0.5 -0.996 26.3-137.3-151.9 142.4 12.5 2.6 2.2 92 92 A I E - e 0 124A 3 -28,-2.1 2,-0.4 -2,-0.3 33,-0.2 -0.899 32.0-172.3 -94.7 131.0 11.9 -0.1 4.9 93 93 A L E + e 0 125A 1 31,-2.8 33,-2.4 -2,-0.5 -27,-0.1 -0.989 53.2 13.3-129.7 143.1 11.8 -3.6 3.3 94 94 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 31,-0.2 5,-0.1 0.728 71.2 177.8 69.1 37.3 11.0 -7.1 4.6 95 95 A H >> - 0 0 8 -30,-0.2 4,-2.1 1,-0.1 3,-1.1 -0.292 41.8-111.0 -65.4 148.3 9.4 -6.0 7.9 96 96 A S H 3> S+ 0 0 17 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.799 116.3 57.1 -47.9 -43.5 8.2 -8.9 9.9 97 97 A E H 3> S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.853 109.7 45.8 -63.8 -33.4 4.5 -8.0 9.5 98 98 A R H <> S+ 0 0 59 -3,-1.1 6,-1.7 2,-0.2 4,-1.5 0.891 111.6 50.1 -75.4 -42.4 4.9 -8.1 5.7 99 99 A R H < S+ 0 0 43 -4,-2.1 4,-0.2 4,-0.2 -2,-0.2 0.853 121.6 36.8 -59.7 -34.5 6.8 -11.4 5.7 100 100 A T H < S+ 0 0 95 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.903 128.9 24.6 -86.7 -53.1 4.0 -12.8 7.9 101 101 A Y H < S+ 0 0 160 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.661 126.8 38.9 -82.9 -35.3 0.8 -11.3 6.7 102 102 A Y S < S- 0 0 141 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.1 0.010 105.6-108.0-120.2 22.2 1.4 -10.4 3.1 103 103 A G + 0 0 50 -4,-0.2 2,-1.0 -3,-0.2 -4,-0.2 0.602 54.3 159.8 68.4 29.2 3.5 -13.2 1.8 104 104 A E - 0 0 11 -6,-1.7 -1,-0.2 -9,-0.1 2,-0.1 -0.654 18.6-172.2 -87.0 105.1 7.0 -11.7 1.5 105 105 A T > - 0 0 75 -2,-1.0 4,-2.5 1,-0.1 5,-0.2 -0.411 42.7 -92.9 -79.5 179.1 9.4 -14.6 1.4 106 106 A D H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.860 127.1 52.8 -60.0 -39.8 13.2 -14.2 1.5 107 107 A E H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 109.5 47.6 -64.5 -45.0 13.4 -14.2 -2.3 108 108 A I H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.960 114.4 46.7 -60.1 -42.5 10.8 -11.4 -2.6 109 109 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.950 111.5 51.5 -65.7 -47.6 12.5 -9.3 0.0 110 110 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.895 110.3 49.1 -56.9 -42.6 15.9 -9.9 -1.6 111 111 A Q H X S+ 0 0 105 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.910 112.2 48.4 -60.6 -48.0 14.5 -8.8 -5.0 112 112 A K H X S+ 0 0 20 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.914 112.1 48.6 -56.4 -48.8 13.0 -5.6 -3.5 113 113 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.937 112.4 49.0 -60.3 -44.1 16.2 -4.7 -1.7 114 114 A S H X S+ 0 0 10 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.946 112.7 46.5 -61.8 -47.6 18.3 -5.2 -4.9 115 115 A E H X S+ 0 0 60 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.884 110.9 53.0 -60.7 -43.0 15.9 -3.1 -7.0 116 116 A A H <>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 -1,-0.2 0.891 109.2 49.4 -58.9 -40.4 15.8 -0.4 -4.4 117 117 A C H ><5S+ 0 0 8 -4,-2.3 3,-2.5 1,-0.2 -2,-0.2 0.986 109.1 51.7 -66.5 -42.4 19.6 -0.3 -4.3 118 118 A K H 3<5S+ 0 0 146 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.833 108.5 52.8 -60.5 -35.3 19.8 -0.1 -8.1 119 119 A Q T 3<5S- 0 0 42 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.379 122.1-105.6 -85.8 8.0 17.3 2.8 -8.0 120 120 A G T < 5 + 0 0 34 -3,-2.5 2,-0.2 1,-0.2 -3,-0.2 0.736 68.2 147.4 89.3 13.1 19.5 4.7 -5.5 121 121 A F < - 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0 0 26 -3,-1.4 2,-0.2 -4,-0.4 -40,-0.0 -0.854 65.6-138.4-105.8 159.6 23.7 -7.4 -4.2 155 155 A T >> - 0 0 97 -2,-0.4 3,-0.8 -41,-0.1 4,-0.7 -0.532 37.1-105.4-100.8 158.9 27.0 -6.1 -5.5 156 156 A K G >4 S+ 0 0 94 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.896 119.7 52.9 -55.1 -48.4 29.7 -5.0 -3.0 157 157 A D G >4 S+ 0 0 122 1,-0.2 3,-1.5 2,-0.2 -1,-0.3 0.799 96.5 68.0 -57.1 -32.6 29.2 -1.3 -3.7 158 158 A A G X4 S+ 0 0 12 -3,-0.8 3,-2.6 1,-0.2 -1,-0.2 0.805 81.6 76.5 -65.4 -15.9 25.4 -1.6 -3.0 159 159 A W G X< S+ 0 0 11 -3,-1.2 3,-1.3 -4,-0.7 -1,-0.2 0.762 78.7 73.1 -70.1 -15.2 26.1 -2.3 0.7 160 160 A N G < S+ 0 0 105 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.711 100.2 44.5 -64.0 -24.4 26.8 1.4 1.1 161 161 A Q G < S+ 0 0 50 -3,-2.6 -38,-3.3 -4,-0.2 2,-0.4 0.349 97.3 96.1 -99.7 0.3 23.0 1.9 0.8 162 162 A V E < -f 123 0A 5 -3,-1.3 45,-0.5 -4,-0.2 2,-0.4 -0.802 43.7-179.7-103.9 133.2 22.0 -0.9 3.1 163 163 A V E -f 124 0A 0 -40,-2.3 -38,-2.9 -2,-0.4 2,-0.4 -0.995 19.9-145.1-119.7 132.1 21.1 -0.7 6.8 164 164 A L E -fg 125 208A 0 43,-2.0 45,-3.3 -2,-0.4 2,-0.5 -0.796 8.4-163.0 -99.8 142.3 20.2 -4.0 8.6 165 165 A A E -fg 126 209A 0 -40,-2.5 -38,-2.3 -2,-0.4 2,-0.7 -0.985 4.8-158.0-125.2 106.0 17.5 -4.0 11.3 166 166 A Y E +fg 127 210A 2 43,-2.9 45,-2.0 -2,-0.5 -38,-0.2 -0.874 20.4 168.1 -82.9 118.3 17.5 -7.1 13.6 167 167 A E - 0 0 11 -40,-2.8 45,-0.2 -2,-0.7 2,-0.1 -0.888 30.0-140.6-134.9 95.6 14.1 -7.3 15.2 168 168 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.449 19.7-131.6 -52.3 130.7 13.3 -10.6 16.9 169 169 A V G > S+ 0 0 46 -40,-2.2 3,-1.5 1,-0.3 -39,-0.2 0.886 105.0 58.3 -60.0 -29.9 9.7 -11.3 16.1 170 170 A W G 3 S+ 0 0 41 -41,-0.6 6,-0.3 1,-0.3 -1,-0.3 0.623 104.0 52.6 -77.2 -14.4 8.9 -12.0 19.7 171 171 A A G < S+ 0 0 0 -3,-1.8 2,-0.6 40,-0.1 4,-0.5 0.517 81.1 109.2 -92.3 -6.9 10.0 -8.6 20.7 172 172 A I S < S- 0 0 23 -3,-1.5 -5,-0.0 -4,-0.5 5,-0.0 -0.597 104.1 -27.7 -83.6 117.1 7.9 -6.6 18.2 173 173 A G S S+ 0 0 72 -2,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.528 113.9 103.8 63.0 13.8 5.1 -4.7 19.9 174 174 A T S S- 0 0 66 -3,-0.4 -2,-0.1 2,-0.1 -1,-0.1 0.548 87.4-121.8 -97.0 -22.4 5.0 -7.2 22.8 175 175 A G S S+ 0 0 63 -4,-0.5 2,-1.0 1,-0.1 -4,-0.1 0.500 81.1 114.9 91.6 -5.4 6.8 -5.3 25.5 176 176 A K - 0 0 144 -6,-0.3 -1,-0.1 -5,-0.1 -2,-0.1 -0.782 50.2-170.0-103.5 77.0 9.4 -8.0 25.7 177 177 A V - 0 0 46 -2,-1.0 36,-0.1 36,-0.2 2,-0.1 -0.401 27.2-108.0 -64.5 143.4 12.5 -6.3 24.6 178 178 A A - 0 0 2 34,-0.5 -1,-0.1 1,-0.1 34,-0.0 -0.444 39.9-106.3 -61.8 153.1 15.7 -8.3 24.0 179 179 A T > - 0 0 62 1,-0.1 4,-2.4 -2,-0.1 5,-0.3 -0.435 27.4-111.1 -75.2 158.0 18.4 -7.9 26.6 180 180 A P H > S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.877 121.4 52.6 -52.6 -38.8 21.4 -5.8 25.5 181 181 A E H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.873 108.3 48.0 -67.5 -46.1 23.3 -9.1 25.7 182 182 A Q H > S+ 0 0 51 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.848 115.9 44.4 -54.2 -55.0 20.9 -11.1 23.5 183 183 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.906 110.9 53.8 -60.1 -46.6 20.9 -8.3 20.8 184 184 A Q H X S+ 0 0 27 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.905 104.9 54.7 -56.9 -38.2 24.7 -7.8 21.0 185 185 A E H X S+ 0 0 123 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.890 112.8 42.3 -63.9 -45.0 25.4 -11.5 20.3 186 186 A V H X S+ 0 0 5 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.899 113.5 51.4 -63.6 -45.2 23.3 -11.4 17.2 187 187 A H H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.909 111.3 48.8 -60.4 -38.0 24.6 -8.1 16.0 188 188 A L H X S+ 0 0 86 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.905 109.9 51.6 -65.5 -43.6 28.2 -9.4 16.4 189 189 A L H X S+ 0 0 58 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.896 112.1 46.6 -58.7 -44.9 27.4 -12.6 14.5 190 190 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.919 111.0 50.5 -62.7 -48.3 25.9 -10.5 11.6 191 191 A R H X S+ 0 0 32 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.932 111.1 50.0 -59.3 -42.0 28.9 -8.1 11.5 192 192 A K H X S+ 0 0 116 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.900 109.3 50.3 -58.4 -49.7 31.3 -11.0 11.4 193 193 A W H X S+ 0 0 45 -4,-1.9 4,-2.4 1,-0.2 5,-0.4 0.898 113.3 46.5 -56.3 -42.7 29.5 -12.8 8.6 194 194 A V H X>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-2.0 0.864 110.8 52.7 -66.9 -40.6 29.5 -9.5 6.6 195 195 A S H <5S+ 0 0 37 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.945 117.7 37.6 -63.8 -34.4 33.2 -9.0 7.3 196 196 A E H <5S+ 0 0 126 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.789 126.4 33.4 -83.4 -39.3 34.0 -12.5 6.1 197 197 A N H <5S+ 0 0 91 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.741 134.6 18.2 -91.0 -27.3 31.6 -12.8 3.1 198 198 A I T <5S- 0 0 37 -4,-2.0 2,-0.2 -5,-0.4 -3,-0.2 0.805 118.0 -68.0-111.7 -55.2 31.4 -9.2 1.8 199 199 A G >< - 0 0 13 -5,-2.5 4,-2.3 1,-0.1 -1,-0.2 -0.694 23.8-115.4 165.8 150.2 34.5 -7.3 3.2 200 200 A T H > S+ 0 0 102 2,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.839 117.2 54.2 -68.3 -31.6 36.0 -5.9 6.4 201 201 A D H > S+ 0 0 73 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.907 109.7 47.4 -72.1 -35.7 35.6 -2.4 5.0 202 202 A V H >> S+ 0 0 15 1,-0.2 4,-1.0 2,-0.2 3,-0.8 0.935 111.2 51.2 -66.7 -47.5 31.9 -3.0 4.4 203 203 A A H 3< S+ 0 0 4 -4,-2.3 3,-0.4 1,-0.3 -2,-0.2 0.852 104.7 56.9 -59.8 -36.7 31.5 -4.5 7.9 204 204 A A H 3< S+ 0 0 68 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.776 115.1 37.0 -65.3 -31.6 33.2 -1.6 9.6 205 205 A K H << S+ 0 0 117 -3,-0.8 -1,-0.2 -4,-0.8 2,-0.2 0.493 88.4 114.0 -94.3 -20.7 30.7 0.9 8.1 206 206 A L < - 0 0 6 -4,-1.0 2,-0.5 -3,-0.4 -43,-0.1 -0.497 58.4-141.7 -63.4 128.3 27.5 -1.1 8.2 207 207 A R - 0 0 35 -45,-0.5 -43,-2.0 -2,-0.2 2,-0.5 -0.815 17.0-172.1 -85.3 127.3 24.8 0.2 10.5 208 208 A I E -g 164 0A 0 -2,-0.5 21,-2.9 -45,-0.2 22,-0.3 -0.989 9.9-162.8-121.4 112.2 22.9 -2.7 12.2 209 209 A L E -g 165 0A 0 -45,-3.3 -43,-2.9 -2,-0.5 2,-0.4 -0.676 11.0-138.2 -95.8 152.9 19.9 -1.4 14.2 210 210 A Y E +gh 166 231A 0 20,-2.6 22,-1.6 -2,-0.3 2,-0.3 -0.902 25.4 175.6-103.5 142.6 18.0 -3.2 16.9 211 211 A G E + h 0 232A 0 -45,-2.0 22,-0.2 -2,-0.4 -40,-0.1 -0.993 29.4 95.1-141.4 151.3 14.2 -3.0 17.0 212 212 A G S S- 0 0 5 20,-0.6 -34,-0.5 -2,-0.3 -40,-0.3 0.243 100.5 -14.1 131.5 93.4 11.4 -4.6 19.1 213 213 A S S S+ 0 0 28 1,-0.2 -36,-0.2 -36,-0.1 2,-0.2 0.685 79.9 167.7 58.2 43.3 9.9 -2.8 22.1 214 214 A V + 0 0 7 18,-0.3 22,-0.4 4,-0.1 2,-0.3 -0.500 7.6 172.8 -77.6 135.4 12.6 -0.1 22.3 215 215 A N > - 0 0 70 -2,-0.2 4,-1.5 20,-0.1 3,-0.2 -0.810 48.2 -93.2-133.9-178.9 11.5 2.7 24.6 216 216 A A T 4 S+ 0 0 35 -2,-0.3 4,-0.3 1,-0.2 -2,-0.0 0.691 121.2 50.6 -71.0 -22.8 13.2 5.8 26.0 217 217 A A T 4 S+ 0 0 85 2,-0.1 4,-0.3 1,-0.1 -1,-0.2 0.751 116.2 36.2 -82.2 -35.7 14.3 4.0 29.2 218 218 A N T > S+ 0 0 32 -3,-0.2 4,-1.4 1,-0.1 5,-0.2 0.618 97.1 83.3 -96.1 -11.2 16.0 0.9 27.7 219 219 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 5,-0.2 0.877 85.3 54.9 -55.1 -47.5 17.5 2.6 24.6 220 220 A A H > S+ 0 0 58 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.919 108.3 48.9 -63.2 -33.8 20.6 3.9 26.4 221 221 A T H 4 S+ 0 0 82 -4,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.780 111.8 48.0 -72.7 -38.5 21.6 0.4 27.6 222 222 A L H >< S+ 0 0 2 -4,-1.4 3,-1.9 -3,-0.2 -2,-0.2 0.931 109.8 53.6 -66.3 -43.1 21.2 -1.2 24.2 223 223 A Y H 3< S+ 0 0 23 -4,-2.7 -2,-0.2 1,-0.3 5,-0.2 0.816 94.3 70.6 -65.8 -20.1 23.2 1.6 22.5 224 224 A A T 3< S+ 0 0 81 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.726 78.5 95.8 -69.7 -16.6 26.1 1.0 24.9 225 225 A K S X S- 0 0 50 -3,-1.9 3,-1.1 -4,-0.2 -44,-0.0 -0.511 82.9-123.6 -76.2 151.6 26.9 -2.4 23.2 226 226 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.675 102.5 43.0 -70.5 -28.2 29.6 -2.2 20.6 227 227 A D T 3 S+ 0 0 21 -224,-0.1 2,-0.6 -20,-0.0 -19,-0.2 0.282 87.9 98.2-105.8 14.5 27.7 -3.6 17.6 228 228 A I < - 0 0 0 -3,-1.1 -19,-0.2 -5,-0.2 3,-0.1 -0.875 45.0-179.2-101.9 119.7 24.4 -1.8 18.0 229 229 A N - 0 0 1 -21,-2.9 -222,-1.8 -2,-0.6 2,-0.3 0.153 55.4 -62.2-107.6 14.2 24.1 1.2 15.8 230 230 A G E -b 7 0A 0 -22,-0.3 -20,-2.6 -224,-0.2 2,-0.3 -0.914 61.9 -71.2 137.4-160.8 20.7 2.6 16.7 231 231 A F E -bh 8 210A 0 -224,-1.7 -222,-2.8 -2,-0.3 2,-0.5 -0.977 4.2-145.4-141.3 150.3 17.0 1.6 16.5 232 232 A L E -bh 9 211A 1 -22,-1.6 -20,-0.6 -2,-0.3 2,-0.5 -0.971 37.1-165.8-112.0 116.2 13.9 0.9 14.5 233 233 A V E +b 10 0A 2 -224,-2.7 -222,-3.3 -2,-0.5 -18,-0.1 -0.947 20.8 167.5-118.3 124.2 11.1 2.0 16.8 234 234 A G S > S+ 0 0 18 -2,-0.5 3,-1.9 -224,-0.2 4,-0.3 0.727 74.8 19.3 -94.6 -94.6 7.4 1.3 16.4 235 235 A G G > S+ 0 0 52 1,-0.3 3,-1.4 2,-0.2 -20,-0.1 0.807 124.6 51.5 -48.4 -46.3 5.1 2.1 19.3 236 236 A A G > S+ 0 0 14 -22,-0.4 3,-1.0 1,-0.3 6,-0.3 0.657 97.2 68.9 -75.1 -9.2 7.4 4.5 21.1 237 237 A S G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.537 88.6 64.3 -87.9 -3.8 7.9 6.6 17.9 238 238 A L G < S+ 0 0 64 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.1 0.296 100.5 67.9 -91.8 5.3 4.3 7.7 18.0 239 239 A K S X S- 0 0 115 -3,-1.0 3,-2.0 1,-0.1 4,-0.2 -0.890 92.9-108.8-125.4 163.6 5.1 9.5 21.3 240 240 A P T > S+ 0 0 49 0, 0.0 3,-2.3 0, 0.0 4,-0.2 0.806 107.5 77.6 -69.9 -14.9 7.1 12.5 22.4 241 241 A E T >> + 0 0 93 1,-0.3 4,-1.7 2,-0.2 3,-0.9 0.627 68.2 86.9 -72.8 -5.4 9.6 10.2 24.1 242 242 A F H <> S+ 0 0 0 -3,-2.0 4,-2.4 -6,-0.3 -1,-0.3 0.886 79.4 67.4 -58.7 -25.8 11.0 9.4 20.7 243 243 A R H <> S+ 0 0 95 -3,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.879 101.0 43.9 -57.3 -46.3 13.1 12.5 21.5 244 244 A D H <> S+ 0 0 95 -3,-0.9 4,-1.4 -4,-0.2 -1,-0.2 0.817 108.0 59.3 -77.5 -19.4 15.0 10.7 24.3 245 245 A I H >< S+ 0 0 0 -4,-1.7 3,-0.6 2,-0.2 4,-0.3 0.970 107.9 46.0 -65.4 -47.1 15.4 7.6 22.0 246 246 A I H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.938 111.4 52.3 -55.8 -44.0 17.3 9.9 19.6 247 247 A D H >< S+ 0 0 28 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.738 95.0 70.4 -75.9 -12.9 19.3 11.3 22.4 248 248 A A T << S+ 0 0 18 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.558 85.8 68.3 -78.2 -3.9 20.3 7.9 23.7 249 249 A T T < 0 0 2 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.1 0.241 360.0 360.0 -94.7 10.2 22.5 7.4 20.6 250 250 A R < 0 0 188 -3,-1.2 -215,-0.0 -215,-0.1 -213,-0.0 -0.479 360.0 360.0 -71.4 360.0 24.9 10.1 21.8