==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JAN-09 3FTU . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.DAVIES . 606 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 0 1 1 1 0 2 2 3 2 1 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 1 3 1 2 2 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 1 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 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 4 A V 0 0 164 0, 0.0 2,-0.9 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 137.4 19.5 14.4 -6.0 2 5 A D > - 0 0 16 5,-0.2 3,-1.8 1,-0.1 5,-0.1 -0.811 360.0-167.5 -97.7 103.3 21.1 12.0 -3.5 3 6 A T T 3 S+ 0 0 43 -2,-0.9 365,-0.4 1,-0.3 -1,-0.1 0.559 84.0 60.4 -70.9 -7.5 18.3 10.5 -1.5 4 7 A C T 3 S+ 0 0 0 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.527 96.9 74.9 -90.1 -5.9 20.7 9.0 1.1 5 8 A S < - 0 0 18 -3,-1.8 141,-0.1 1,-0.1 139,-0.1 -0.851 54.4-168.2-113.5 140.6 22.0 12.4 2.0 6 9 A L + 0 0 33 -2,-0.4 -1,-0.1 73,-0.2 138,-0.1 0.432 63.3 100.3 -95.8 -4.5 20.4 15.2 4.1 7 10 A A S S- 0 0 12 1,-0.2 44,-0.2 136,-0.1 -5,-0.2 -0.267 88.7 -78.7 -82.0 165.1 23.0 17.8 3.1 8 11 A S - 0 0 13 42,-2.4 -1,-0.2 1,-0.1 44,-0.1 -0.382 57.7-115.0 -58.3 139.0 22.8 20.5 0.5 9 12 A P >> - 0 0 50 0, 0.0 3,-2.3 0, 0.0 4,-2.0 -0.264 23.3-100.6 -78.4 171.0 23.3 19.1 -2.9 10 13 A A T 34 S+ 0 0 16 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.678 120.7 64.9 -63.4 -19.9 26.1 19.7 -5.3 11 14 A S T 34 S+ 0 0 83 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.659 109.5 38.0 -77.0 -16.6 23.9 22.1 -7.2 12 15 A V T <4 S- 0 0 24 -3,-2.3 30,-3.2 1,-0.4 31,-0.6 0.831 133.5 -20.3-100.4 -51.8 23.7 24.4 -4.2 13 16 A C E < -A 41 0A 0 -4,-2.0 -1,-0.4 28,-0.3 2,-0.4 -0.976 55.8-147.1-159.8 157.7 27.3 24.2 -2.9 14 17 A R E -A 40 0A 95 26,-2.3 26,-3.0 -2,-0.3 2,-0.5 -0.995 16.9-129.6-136.3 127.1 30.3 21.9 -3.1 15 18 A T E +A 39 0A 4 -2,-0.4 24,-0.3 24,-0.2 3,-0.1 -0.662 24.3 179.0 -72.8 124.3 33.0 21.0 -0.6 16 19 A K E + 0 0 82 22,-3.2 136,-2.2 -2,-0.5 2,-0.3 0.689 63.1 8.4 -90.9 -30.7 36.4 21.4 -2.2 17 20 A H E -Ab 38 152A 45 21,-1.3 21,-3.0 134,-0.3 2,-0.4 -0.996 53.9-154.3-156.4 145.3 38.7 20.5 0.7 18 21 A L E -Ab 37 153A 1 134,-1.8 136,-2.4 -2,-0.3 2,-0.6 -0.995 3.8-167.4-121.7 127.2 38.6 19.2 4.2 19 22 A H E -Ab 36 154A 48 17,-2.6 17,-2.8 -2,-0.4 2,-0.5 -0.959 15.4-166.6-109.0 113.1 41.3 19.9 6.7 20 23 A L E +Ab 35 155A 6 134,-2.6 136,-2.5 -2,-0.6 2,-0.5 -0.873 14.1 177.0-103.0 124.0 40.8 17.5 9.7 21 24 A R E +Ab 34 156A 103 13,-2.4 13,-2.8 -2,-0.5 2,-0.3 -0.995 26.0 149.0-120.7 118.4 42.6 18.1 13.0 22 25 A C E -Ab 33 157A 10 134,-2.4 136,-2.9 -2,-0.5 2,-0.4 -0.949 38.4-140.6-149.8 166.8 41.6 15.5 15.5 23 26 A S E -Ab 32 158A 37 9,-2.0 9,-2.0 -2,-0.3 2,-0.7 -0.995 19.3-134.9-132.3 134.4 42.7 13.4 18.5 24 27 A V E -A 31 0A 0 134,-3.1 2,-0.9 -2,-0.4 7,-0.2 -0.842 17.7-165.3 -94.3 111.9 41.8 9.8 19.1 25 28 A D E >> +A 30 0A 39 5,-3.2 5,-1.7 -2,-0.7 4,-1.4 -0.798 11.2 178.5 -99.4 98.2 40.7 9.2 22.7 26 29 A F T 45S+ 0 0 33 -2,-0.9 -1,-0.2 1,-0.2 101,-0.1 0.813 79.6 61.6 -67.8 -28.3 40.8 5.5 23.5 27 30 A T T 45S+ 0 0 135 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.831 120.3 24.6 -65.4 -36.1 39.7 6.1 27.1 28 31 A R T 45S- 0 0 113 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.456 102.1-125.5-107.7 -3.4 36.4 7.7 25.9 29 32 A R T <5 + 0 0 93 -4,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.928 68.5 127.2 53.6 47.3 36.2 6.0 22.5 30 33 A T E < -A 25 0A 3 -5,-1.7 -5,-3.2 77,-0.1 2,-0.5 -0.968 56.2-145.7-131.0 148.4 35.8 9.4 20.8 31 34 A L E -A 24 0A 2 -2,-0.4 74,-2.6 -7,-0.2 2,-0.4 -0.964 28.7-172.8-101.7 133.9 37.5 11.3 18.1 32 35 A T E +AC 23 104A 52 -9,-2.0 -9,-2.0 -2,-0.5 2,-0.3 -0.985 27.3 70.4-129.1 137.8 37.5 15.0 18.9 33 36 A G E -AC 22 103A 18 70,-2.2 70,-2.5 -2,-0.4 2,-0.4 -0.979 68.6 -42.7 166.7-147.4 38.6 18.0 16.9 34 37 A T E -AC 21 102A 18 -13,-2.8 -13,-2.4 -2,-0.3 2,-0.6 -0.958 24.4-161.0-123.0 139.2 37.9 20.3 14.0 35 38 A A E -AC 20 101A 0 66,-2.3 66,-2.8 -2,-0.4 2,-0.7 -0.969 13.5-164.2-114.4 111.2 36.7 19.7 10.5 36 39 A A E -AC 19 100A 13 -17,-2.8 -17,-2.6 -2,-0.6 2,-0.5 -0.889 8.6-165.7 -99.6 109.0 37.5 22.7 8.4 37 40 A L E -AC 18 99A 2 62,-2.8 62,-2.7 -2,-0.7 2,-0.8 -0.857 13.9-151.3-100.4 121.7 35.5 22.5 5.2 38 41 A T E -AC 17 98A 28 -21,-3.0 -22,-3.2 -2,-0.5 -21,-1.3 -0.865 26.6-171.0 -90.2 114.9 36.3 24.7 2.2 39 42 A V E -AC 15 97A 4 58,-3.0 58,-2.6 -2,-0.8 2,-0.5 -0.902 16.7-155.1-118.9 131.9 33.0 25.2 0.5 40 43 A Q E -AC 14 96A 32 -26,-3.0 -26,-2.3 -2,-0.4 56,-0.2 -0.926 20.4-131.0-106.3 121.1 32.3 26.7 -2.9 41 44 A S E -A 13 0A 0 54,-3.0 53,-2.6 -2,-0.5 -28,-0.3 -0.451 16.6-170.6 -66.8 140.1 28.8 28.2 -3.5 42 45 A Q + 0 0 32 -30,-3.2 2,-0.3 51,-0.2 -29,-0.2 0.265 68.1 61.5-108.8 8.8 27.1 27.1 -6.7 43 46 A E S > S- 0 0 77 -31,-0.6 3,-0.6 49,-0.2 2,-0.2 -0.952 84.3-106.8-133.1 153.2 24.2 29.7 -6.2 44 47 A D T 3 S+ 0 0 123 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.480 99.4 10.6 -68.6 145.3 23.7 33.4 -6.0 45 48 A N T 3 S- 0 0 82 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.831 79.6-177.7 58.1 42.1 22.9 34.8 -2.6 46 49 A L E < +H 91 0B 10 45,-2.6 45,-2.5 -3,-0.6 -1,-0.2 -0.632 13.4 164.1 -79.0 122.1 23.6 31.7 -0.6 47 50 A R E + 0 0 154 -2,-0.5 40,-2.4 1,-0.3 2,-0.3 0.533 59.0 16.4-119.9 -13.4 22.9 32.3 3.1 48 51 A S E -H 86 0B 48 38,-0.2 2,-0.3 40,-0.0 -1,-0.3 -0.980 56.0-168.7-150.6 163.6 22.7 28.8 4.6 49 52 A L E -H 85 0B 2 36,-1.7 36,-2.8 -2,-0.3 2,-0.4 -0.981 16.7-130.9-149.2 162.9 23.7 25.3 3.9 50 53 A V E -H 84 0B 26 -2,-0.3 -42,-2.4 34,-0.2 2,-0.3 -0.941 16.8-163.6-121.7 137.8 23.0 21.9 5.4 51 54 A L E -H 83 0B 2 32,-2.9 32,-2.9 -2,-0.4 2,-0.3 -0.870 22.9-113.5-113.8 154.8 25.4 19.1 6.4 52 55 A D E +HI 82 143B 0 91,-2.7 91,-1.5 -2,-0.3 2,-0.3 -0.633 39.9 168.1 -76.0 137.6 25.0 15.4 7.1 53 56 A T E -H 81 0B 4 28,-0.6 28,-1.0 26,-0.3 2,-0.3 -0.968 17.8-169.1-141.9 162.8 25.8 14.3 10.7 54 57 A K S S- 0 0 17 84,-1.4 52,-0.3 -2,-0.3 56,-0.1 -0.813 76.1 -22.6-155.8 110.5 25.2 11.0 12.7 55 58 A D S S+ 0 0 63 -2,-0.3 51,-0.6 1,-0.2 2,-0.4 0.810 93.8 148.4 56.1 35.5 25.6 10.8 16.5 56 59 A L E -D 105 0A 16 49,-0.2 2,-0.7 25,-0.1 -1,-0.2 -0.776 44.7-142.0 -97.6 144.6 28.0 13.8 16.5 57 60 A T E -D 104 0A 83 47,-2.9 47,-1.6 -2,-0.4 2,-0.5 -0.924 17.5-155.2 -99.1 115.3 28.3 16.3 19.3 58 61 A I E +D 103 0A 18 -2,-0.7 45,-0.3 45,-0.2 3,-0.1 -0.848 17.3 176.8 -93.9 124.5 28.7 19.8 17.8 59 62 A E E - 0 0 142 43,-3.0 2,-0.3 -2,-0.5 -1,-0.2 0.894 63.9 -29.3 -88.1 -55.1 30.6 22.2 20.2 60 63 A K E -D 102 0A 64 42,-0.8 42,-3.2 2,-0.0 2,-0.4 -0.970 46.1-135.7-157.4 167.6 30.7 25.3 17.9 61 64 A V E -D 101 0A 1 7,-0.4 7,-2.7 -2,-0.3 2,-0.4 -0.987 23.9-165.1-132.2 116.3 31.0 26.4 14.2 62 65 A V E +DE 100 67A 22 38,-3.0 38,-2.9 -2,-0.4 2,-0.3 -0.912 12.2 171.8-111.7 128.8 33.5 29.2 13.4 63 66 A I E > S- E 0 66A 3 3,-2.8 3,-2.3 -2,-0.4 36,-0.1 -0.996 74.8 -2.6-132.0 141.3 33.6 31.2 10.2 64 67 A N T 3 S- 0 0 114 34,-0.5 -1,-0.1 -2,-0.3 3,-0.1 0.872 131.8 -58.4 41.6 43.3 35.8 34.3 9.6 65 68 A G T 3 S+ 0 0 61 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.489 119.5 100.6 74.7 3.6 37.0 33.9 13.2 66 69 A Q E < S-E 63 0A 138 -3,-2.3 -3,-2.8 0, 0.0 2,-0.2 -0.932 75.7-112.0-123.4 145.1 33.5 34.2 14.7 67 70 A E E -E 62 0A 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.528 38.0-162.2 -71.3 137.7 31.0 31.6 16.0 68 71 A V - 0 0 19 -7,-2.7 -7,-0.4 -2,-0.2 2,-0.2 -0.754 22.6 -90.5-118.4 168.5 27.9 31.4 13.8 69 72 A K + 0 0 160 17,-0.3 17,-3.0 -2,-0.3 2,-0.3 -0.509 45.9 163.2 -77.3 141.7 24.4 29.9 14.3 70 73 A Y E -J 85 0B 73 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.966 17.9-155.3-152.1 160.9 23.6 26.3 13.3 71 74 A A E -J 84 0B 58 13,-2.2 13,-2.8 -2,-0.3 2,-0.5 -1.000 11.6-137.1-142.8 141.3 20.7 23.9 14.1 72 75 A L E -J 83 0B 86 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.866 22.4-144.4 -99.0 124.9 20.4 20.2 14.3 73 76 A G - 0 0 33 9,-3.3 2,-0.1 -2,-0.5 3,-0.1 -0.207 37.8 -72.0 -73.8 174.1 17.3 18.7 12.8 74 77 A E - 0 0 172 1,-0.1 -1,-0.2 7,-0.1 2,-0.0 -0.407 60.1 -93.9 -64.2 139.7 15.5 15.7 14.1 75 78 A R - 0 0 103 6,-0.2 2,-0.3 -2,-0.1 6,-0.2 -0.334 31.1-158.8 -54.6 133.1 17.2 12.3 13.6 76 79 A Q > - 0 0 100 4,-2.6 3,-1.9 1,-0.3 4,-0.2 -0.616 41.6-103.6-114.8 66.3 16.0 10.5 10.5 77 80 A S G > S- 0 0 87 -2,-0.3 3,-1.8 1,-0.3 -1,-0.3 -0.189 96.2 -0.1 57.1-131.2 16.9 7.0 11.3 78 81 A Y G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -3,-0.1 291,-0.0 0.634 127.1 67.6 -70.9 -12.8 20.1 5.7 9.5 79 82 A K G < S- 0 0 17 -3,-1.9 -26,-0.3 1,-0.2 -1,-0.3 0.700 95.3-148.7 -76.1 -17.9 20.5 9.0 7.7 80 83 A G < - 0 0 0 -3,-1.8 -4,-2.6 -4,-0.2 -26,-0.2 -0.470 36.2 -40.3 82.2-156.5 21.3 10.8 11.0 81 84 A S E -H 53 0B 22 -28,-1.0 -28,-0.6 -6,-0.2 -6,-0.2 -0.920 53.2-123.4-113.6 130.6 20.4 14.5 11.7 82 85 A P E -H 52 0B 25 0, 0.0 -9,-3.3 0, 0.0 2,-0.6 -0.467 20.5-148.9 -70.3 141.9 20.7 17.4 9.2 83 86 A M E -HJ 51 72B 0 -32,-2.9 -32,-2.9 -11,-0.2 2,-0.6 -0.931 7.7-161.6-118.3 107.6 22.9 20.3 10.4 84 87 A E E -HJ 50 71B 100 -13,-2.8 -13,-2.2 -2,-0.6 2,-0.5 -0.787 4.7-164.3 -91.6 124.2 21.9 23.8 9.1 85 88 A I E -HJ 49 70B 0 -36,-2.8 -36,-1.7 -2,-0.6 2,-0.6 -0.941 13.0-141.0-109.8 128.4 24.6 26.4 9.3 86 89 A S E -H 48 0B 56 -17,-3.0 -17,-0.3 -2,-0.5 -38,-0.2 -0.817 21.8-133.9 -89.2 118.1 23.6 30.1 8.9 87 90 A L E - 0 0 18 -40,-2.4 3,-0.1 -2,-0.6 -17,-0.0 -0.463 3.0-139.0 -75.9 139.6 26.3 31.9 6.9 88 91 A P E S+ 0 0 66 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.804 90.3 25.0 -71.0 -24.7 27.5 35.3 8.3 89 92 A I E S- 0 0 112 -43,-0.1 -43,-0.1 -42,-0.0 -2,-0.0 -0.995 92.2-108.2-138.6 130.1 27.6 36.9 4.8 90 93 A A E - 0 0 27 -2,-0.4 2,-0.4 -3,-0.1 -43,-0.2 -0.266 37.7-136.6 -54.4 140.6 25.6 35.9 1.7 91 94 A L E -H 46 0B 5 -45,-2.5 -45,-2.6 -47,-0.1 2,-0.1 -0.800 5.6-141.4-105.8 143.6 27.8 34.2 -0.9 92 95 A S > - 0 0 59 -2,-0.4 3,-2.0 -48,-0.2 -51,-0.3 -0.458 48.6 -64.8 -94.3 169.5 27.7 34.8 -4.6 93 96 A K T 3 S+ 0 0 131 1,-0.3 -51,-0.2 -51,-0.2 -1,-0.1 -0.366 121.0 8.1 -61.8 127.8 28.2 31.9 -7.2 94 97 A N T 3 S+ 0 0 90 -53,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.366 91.6 139.3 83.3 1.5 31.6 30.3 -7.1 95 98 A Q < - 0 0 80 -3,-2.0 -54,-3.0 -55,-0.1 2,-0.4 -0.532 41.2-146.6 -74.2 143.8 32.6 32.2 -3.9 96 99 A E E +C 40 0A 98 -56,-0.2 2,-0.3 -2,-0.2 -56,-0.2 -0.903 20.2 172.7-117.0 133.1 34.5 30.0 -1.4 97 100 A I E -C 39 0A 21 -58,-2.6 -58,-3.0 -2,-0.4 2,-0.5 -0.937 27.5-124.5-129.2 168.3 34.5 30.1 2.4 98 101 A V E -C 38 0A 75 -2,-0.3 2,-0.6 -60,-0.2 -34,-0.5 -0.938 19.0-165.7-113.4 122.1 36.0 27.9 5.2 99 102 A I E -C 37 0A 1 -62,-2.7 -62,-2.8 -2,-0.5 2,-0.8 -0.946 4.7-160.2-109.8 117.2 33.7 26.6 7.8 100 103 A E E -CD 36 62A 76 -38,-2.9 -38,-3.0 -2,-0.6 2,-0.5 -0.836 9.1-169.0-103.8 108.9 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-7.0 490 493 A D T 3 S+ 0 0 136 -4,-0.4 2,-0.5 -3,-0.3 -1,-0.3 0.246 97.6 102.1-100.1 17.5 44.0 -32.8 -10.1 491 494 A L < - 0 0 26 -3,-1.5 2,-0.0 -27,-0.1 -3,-0.0 -0.866 61.5-141.4-107.2 128.8 41.9 -30.0 -8.6 492 495 A S > - 0 0 51 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.216 37.1 -98.9 -70.1 171.6 43.3 -26.5 -7.6 493 496 A S H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 128.0 56.1 -64.4 -31.3 42.1 -24.8 -4.5 494 497 A H H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 108.7 45.1 -65.8 -42.4 39.8 -22.8 -6.8 495 498 A Q H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.841 109.2 54.9 -68.0 -34.2 38.3 -26.0 -8.2 496 499 A L H X S+ 0 0 17 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.932 110.0 49.1 -65.5 -42.4 37.9 -27.5 -4.7 497 500 A N H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.907 111.8 46.9 -58.2 -46.8 36.0 -24.3 -3.8 498 501 A E H X S+ 0 0 22 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.898 107.5 56.8 -66.6 -41.3 33.8 -24.6 -6.9 499 502 A F H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.924 111.4 44.1 -48.6 -47.6 33.1 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22.9 -33.9 1.1 510 513 A P >> - 0 0 74 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.365 41.2-120.6 -59.6 145.5 22.3 -37.1 3.3 511 514 A L H 3> S+ 0 0 59 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.849 111.4 57.8 -57.5 -37.1 24.3 -37.0 6.5 512 515 A G H 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.839 104.1 52.2 -66.3 -28.6 26.2 -40.2 5.6 513 516 A H H <> S+ 0 0 12 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.942 111.3 46.5 -69.6 -45.7 27.5 -38.6 2.4 514 517 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.925 111.8 50.8 -60.9 -48.6 28.8 -35.6 4.4 515 518 A K H X S+ 0 0 106 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.929 111.8 48.6 -54.4 -44.6 30.4 -37.9 7.0 516 519 A R H X S+ 0 0 41 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.884 106.8 55.8 -62.0 -42.9 32.1 -39.9 4.1 517 520 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.5 0.899 109.3 46.3 -59.1 -40.5 33.3 -36.7 2.5 518 521 A Q H X S+ 0 0 33 -4,-2.0 4,-2.0 3,-0.2 -1,-0.2 0.935 112.8 51.9 -66.7 -43.6 35.1 -35.6 5.7 519 522 A E H < S+ 0 0 143 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.901 121.5 30.0 -53.4 -48.6 36.5 -39.2 6.0 520 523 A V H < S+ 0 0 22 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.862 133.2 28.6 -87.9 -31.8 37.9 -39.2 2.5 521 524 A Y H < S- 0 0 16 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.635 83.0-143.4-107.3 -16.6 38.7 -35.6 1.9 522 525 A N >< + 0 0 83 -4,-2.0 3,-2.1 -5,-0.5 4,-0.2 0.874 32.5 166.6 51.4 45.3 39.5 -34.2 5.4 523 526 A F G > + 0 0 0 -6,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.770 67.2 72.7 -60.5 -24.1 37.8 -30.8 4.6 524 527 A N G 3 S+ 0 0 51 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.788 93.2 56.4 -59.8 -22.4 37.9 -30.1 8.4 525 528 A A G < S+ 0 0 54 -3,-2.1 2,-0.4 2,-0.0 -1,-0.3 0.556 83.1 103.3 -86.7 -7.9 41.7 -29.6 8.0 526 529 A I < - 0 0 36 -3,-1.6 -4,-0.0 -4,-0.2 -3,-0.0 -0.610 44.7-176.7 -83.3 129.0 41.4 -26.9 5.3 527 530 A N + 0 0 135 -2,-0.4 2,-0.3 -246,-0.2 -1,-0.1 0.526 44.0 120.1-105.3 -5.3 42.1 -23.4 6.5 528 531 A N > - 0 0 14 1,-0.2 4,-3.3 -247,-0.1 5,-0.2 -0.470 62.7-142.0 -51.6 117.0 41.3 -21.6 3.2 529 532 A S H > S+ 0 0 11 -251,-0.5 4,-2.5 -2,-0.3 5,-0.2 0.853 95.9 50.0 -62.4 -40.6 38.4 -19.3 4.4 530 533 A E H > S+ 0 0 15 -252,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.948 116.5 42.3 -63.8 -48.2 36.4 -19.6 1.2 531 534 A I H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.944 115.4 48.1 -63.4 -45.2 36.7 -23.4 1.2 532 535 A R H X S+ 0 0 36 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.913 108.9 55.9 -65.2 -41.0 36.1 -23.8 4.9 533 536 A F H X S+ 0 0 11 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.958 112.0 40.2 -51.2 -58.2 33.0 -21.4 4.7 534 537 A R H X S+ 0 0 11 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.856 114.1 54.1 -65.9 -38.8 31.2 -23.5 2.1 535 538 A W H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.920 111.2 44.6 -56.7 -47.5 32.2 -26.8 3.6 536 539 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.900 112.1 52.2 -70.6 -37.5 30.8 -25.8 7.0 537 540 A R H X S+ 0 0 59 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.935 110.4 49.4 -58.8 -47.0 27.6 -24.4 5.4 538 541 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -29,-0.3 0.921 112.7 48.1 -57.0 -45.0 27.2 -27.8 3.6 539 542 A C H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 -2,-0.2 0.923 114.4 44.0 -60.8 -48.8 27.7 -29.6 6.9 540 543 A I H ><5S+ 0 0 3 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.911 114.3 48.7 -68.2 -43.3 25.2 -27.5 8.9 541 544 A Q H 3<5S+ 0 0 56 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.788 109.3 54.1 -68.6 -26.1 22.5 -27.5 6.2 542 545 A S T 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.253 120.5-114.6 -90.1 8.8 23.0 -31.3 5.9 543 546 A K T < 5 + 0 0 140 -3,-1.7 2,-0.9 1,-0.2 -3,-0.2 0.779 55.1 161.8 68.5 37.2 22.3 -31.4 9.7 544 547 A W > < - 0 0 23 -5,-2.5 3,-1.5 1,-0.2 4,-0.3 -0.795 23.6-164.2 -91.9 101.4 25.7 -32.6 10.9 545 548 A E G > S+ 0 0 105 -2,-0.9 3,-2.0 1,-0.3 -1,-0.2 0.825 84.4 66.3 -55.3 -34.9 25.8 -31.8 14.7 546 549 A D G 3 S+ 0 0 113 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.818 96.3 56.4 -57.3 -32.6 29.6 -32.3 14.8 547 550 A A G <> S+ 0 0 3 -3,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.586 83.7 89.0 -78.9 -9.5 30.0 -29.3 12.5 548 551 A I H <> S+ 0 0 8 -3,-2.0 4,-2.6 -4,-0.3 5,-0.2 0.929 89.1 42.8 -57.1 -53.7 28.1 -27.0 15.0 549 552 A P H > S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.859 114.7 52.5 -60.4 -35.7 31.1 -25.9 17.1 550 553 A L H > S+ 0 0 42 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.931 111.9 45.0 -64.3 -48.2 33.2 -25.4 13.9 551 554 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.882 114.4 48.3 -61.1 -43.3 30.6 -23.2 12.4 552 555 A L H X S+ 0 0 21 -4,-2.6 4,-1.4 -5,-0.2 5,-0.2 0.908 111.8 51.2 -63.6 -42.6 30.1 -21.2 15.6 553 556 A K H X S+ 0 0 105 -4,-2.4 4,-2.8 -5,-0.2 3,-0.4 0.946 112.6 44.0 -59.5 -52.2 33.9 -20.8 15.9 554 557 A M H X S+ 0 0 19 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.917 110.5 56.2 -60.0 -40.2 34.3 -19.5 12.3 555 558 A A H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.818 120.9 27.4 -64.7 -27.7 31.2 -17.2 12.6 556 559 A T H < S+ 0 0 42 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.719 108.8 65.3-109.1 -28.8 32.6 -15.4 15.7 557 560 A E H < S+ 0 0 114 -4,-2.8 2,-0.3 -5,-0.2 -3,-0.1 0.653 118.0 22.4 -75.1 -14.3 36.5 -15.6 15.4 558 561 A Q < - 0 0 19 -4,-0.9 -297,-0.3 -5,-0.2 -282,-0.0 -0.923 66.9-153.4-139.1 171.0 36.3 -13.5 12.3 559 562 A G + 0 0 11 -299,-3.0 2,-0.4 -2,-0.3 -298,-0.2 0.182 37.1 143.4-139.3 17.7 33.6 -11.0 11.2 560 563 A R >> - 0 0 12 -300,-0.4 4,-2.8 1,-0.2 3,-1.7 -0.524 48.8-140.1 -59.9 118.5 33.8 -10.8 7.4 561 564 A M H 3> S+ 0 0 10 -298,-3.0 4,-2.0 -2,-0.4 -1,-0.2 0.821 96.2 66.8 -60.4 -38.0 30.1 -10.5 6.6 562 565 A K H 34 S+ 0 0 93 -299,-0.3 -1,-0.3 1,-0.2 -298,-0.1 0.797 119.5 23.5 -40.8 -39.7 30.3 -12.8 3.6 563 566 A F H <> S+ 0 0 0 -3,-1.7 4,-2.1 2,-0.1 -2,-0.2 0.850 121.3 52.7 -98.7 -52.1 31.0 -15.6 6.0 564 567 A T H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.916 108.5 50.6 -57.0 -46.6 29.6 -14.5 9.4 565 568 A R H X S+ 0 0 53 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.937 113.6 40.1 -60.1 -55.3 26.1 -13.7 8.1 566 569 A P H > S+ 0 0 29 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.857 114.3 55.4 -69.6 -28.8 25.3 -16.9 6.3 567 570 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.953 111.3 43.1 -61.4 -51.7 27.0 -19.0 9.0 568 571 A F H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.939 114.8 51.7 -56.1 -47.9 24.7 -17.5 11.7 569 572 A K H X S+ 0 0 105 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.927 112.3 44.7 -56.3 -49.4 21.7 -17.8 9.4 570 573 A D H X S+ 0 0 15 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.890 113.4 50.4 -58.5 -43.9 22.4 -21.5 8.7 571 574 A L H < S+ 0 0 0 -4,-2.5 6,-0.3 1,-0.2 10,-0.3 0.825 110.4 50.3 -67.7 -31.5 23.1 -22.2 12.4 572 575 A A H < S+ 0 0 18 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.833 108.3 52.8 -72.1 -34.5 19.8 -20.4 13.2 573 576 A A H < S+ 0 0 88 -4,-1.9 2,-0.7 -5,-0.2 -2,-0.2 0.669 92.8 81.3 -75.2 -15.3 17.9 -22.6 10.7 574 577 A F S >X S- 0 0 14 -4,-0.9 4,-1.8 1,-0.2 3,-1.6 -0.809 76.4-147.0 -93.8 113.7 19.2 -25.8 12.2 575 578 A D H 3> S+ 0 0 120 -2,-0.7 4,-0.5 1,-0.3 -1,-0.2 0.844 95.0 57.3 -53.5 -33.5 17.0 -26.6 15.2 576 579 A K H 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.776 118.4 30.4 -66.8 -27.7 19.9 -28.2 17.1 577 580 A S H <> S+ 0 0 0 -3,-1.6 4,-3.0 -6,-0.3 5,-0.2 0.549 93.8 96.6-107.8 -9.2 22.1 -25.1 16.9 578 581 A H H X S+ 0 0 76 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.885 86.5 43.3 -51.1 -55.3 19.4 -22.4 16.9 579 582 A D H X S+ 0 0 107 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.931 116.6 47.7 -62.5 -43.0 19.4 -21.6 20.5 580 583 A Q H > S+ 0 0 70 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.846 109.1 54.6 -63.5 -40.9 23.2 -21.5 20.7 581 584 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 -10,-0.3 -1,-0.2 0.946 112.3 42.8 -56.9 -48.6 23.4 -19.4 17.6 582 585 A V H X S+ 0 0 18 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.930 116.0 47.8 -66.8 -44.6 21.2 -16.7 19.1 583 586 A R H X S+ 0 0 114 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.878 111.1 52.1 -62.3 -38.5 22.9 -16.9 22.5 584 587 A T H X S+ 0 0 24 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.943 109.9 47.7 -66.2 -45.2 26.3 -16.6 20.9 585 588 A Y H X S+ 0 0 3 -4,-2.3 4,-3.1 1,-0.2 3,-0.3 0.959 110.3 53.3 -57.5 -49.4 25.3 -13.6 18.9 586 589 A Q H < S+ 0 0 117 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.883 111.3 45.7 -54.2 -43.0 23.8 -12.0 22.1 587 590 A E H < S+ 0 0 138 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 122.0 35.5 -69.7 -34.2 27.1 -12.5 24.0 588 591 A H H >< S+ 0 0 70 -4,-1.9 3,-1.6 -3,-0.3 4,-0.2 0.690 92.3 90.7 -92.8 -23.7 29.4 -11.2 21.2 589 592 A K G >< S+ 0 0 96 -4,-3.1 3,-1.7 1,-0.3 -1,-0.1 0.811 82.4 55.5 -46.0 -45.8 27.2 -8.5 19.8 590 593 A A G 3 S+ 0 0 99 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.828 113.2 42.6 -60.9 -32.3 28.6 -5.7 22.1 591 594 A S G < S+ 0 0 57 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.227 98.1 102.7-100.4 14.3 32.1 -6.4 20.8 592 595 A M S < S- 0 0 34 -3,-1.7 -331,-0.0 -4,-0.2 -36,-0.0 -0.467 88.8 -86.1 -88.5 163.7 31.0 -6.8 17.2 593 596 A H > - 0 0 3 -332,-0.2 4,-3.3 -2,-0.1 5,-0.3 -0.527 45.1-121.8 -63.2 136.2 31.5 -4.3 14.4 594 597 A P H > S+ 0 0 40 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.814 109.2 44.0 -55.0 -36.6 28.4 -2.0 14.6 595 598 A V H > S+ 0 0 9 -485,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 115.8 46.9 -76.9 -42.8 27.2 -2.6 11.1 596 599 A T H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.929 111.5 52.7 -61.1 -46.4 27.8 -6.4 11.3 597 600 A A H X S+ 0 0 9 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.932 110.7 48.3 -52.3 -47.9 26.0 -6.4 14.7 598 601 A M H X S+ 0 0 58 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.908 114.4 44.1 -62.7 -42.6 23.0 -4.7 13.2 599 602 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.883 111.6 50.5 -77.9 -37.1 22.8 -7.0 10.2 600 603 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.903 108.9 55.0 -62.2 -40.8 23.2 -10.3 12.1 601 604 A G H <>S+ 0 0 4 -4,-2.0 5,-2.8 -5,-0.3 4,-0.4 0.889 110.7 44.3 -57.1 -46.6 20.5 -9.2 14.5 602 605 A K H ><5S+ 0 0 129 -4,-1.7 3,-0.8 3,-0.2 -1,-0.2 0.894 111.8 52.7 -60.4 -49.1 18.1 -8.6 11.7 603 606 A D H 3<5S+ 0 0 33 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.866 116.2 39.7 -54.7 -39.5 19.1 -11.9 10.0 604 607 A L T 3<5S- 0 0 14 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.479 108.1-124.8 -88.2 -8.0 18.4 -13.8 13.3 605 608 A K T < 5 0 0 192 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.898 360.0 360.0 54.9 47.3 15.3 -11.7 14.1 606 609 A V < 0 0 81 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.758 360.0 360.0-121.6 360.0 16.8 -10.8 17.5