==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAR-08 3CHO . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.M.G.M.THUNNISSEN,M.ADLER,M.WHITLOW . 610 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 71.1 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 15.1 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 . 37 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 0 1 0 2 4 3 2 0 1 0 1 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 1 A P 0 0 188 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 30.7 18.6 -17.8 15.3 2 2 A E - 0 0 112 1,-0.0 2,-0.3 12,-0.0 0, 0.0 -0.526 360.0-131.6 -85.8 148.8 20.2 -17.7 11.8 3 3 A I - 0 0 44 -2,-0.2 2,-0.4 2,-0.0 11,-0.2 -0.712 11.6-149.2-102.3 149.5 20.6 -14.5 9.8 4 4 A V - 0 0 102 -2,-0.3 2,-0.9 8,-0.1 306,-0.0 -0.950 10.4-139.0-119.6 136.7 19.7 -14.0 6.1 5 5 A D > - 0 0 15 -2,-0.4 3,-1.7 1,-0.1 305,-0.0 -0.815 12.9-167.1 -95.2 105.6 21.4 -11.6 3.7 6 6 A T T 3 S+ 0 0 42 -2,-0.9 365,-0.5 1,-0.3 -1,-0.1 0.485 83.6 61.0 -76.1 -1.5 18.6 -10.1 1.6 7 7 A C T 3 S+ 0 0 1 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.527 96.6 72.1 -96.6 -8.9 21.0 -8.7 -0.9 8 8 A S < - 0 0 19 -3,-1.7 141,-0.1 1,-0.1 -3,-0.1 -0.861 53.5-167.6-113.1 143.4 22.4 -12.1 -1.9 9 9 A L + 0 0 34 -2,-0.4 -1,-0.1 73,-0.2 138,-0.1 0.380 62.8 102.8-102.1 -0.5 20.7 -14.9 -3.9 10 10 A A S S- 0 0 14 1,-0.2 44,-0.2 136,-0.1 -2,-0.1 -0.253 88.7 -78.7 -78.4 166.0 23.3 -17.5 -3.0 11 11 A S - 0 0 14 42,-2.5 -1,-0.2 1,-0.1 44,-0.1 -0.441 57.8-114.4 -58.7 136.3 23.1 -20.2 -0.4 12 12 A P >> - 0 0 49 0, 0.0 4,-1.9 0, 0.0 3,-1.8 -0.212 24.4-102.0 -70.8 167.1 23.5 -18.7 3.1 13 13 A A T 34 S+ 0 0 17 1,-0.3 -9,-0.1 2,-0.2 -2,-0.1 0.733 120.4 66.4 -61.0 -24.8 26.5 -19.5 5.4 14 14 A S T 34 S+ 0 0 39 -11,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.677 108.7 38.4 -71.3 -17.2 24.2 -21.8 7.4 15 15 A V T <4 S- 0 0 21 -3,-1.8 30,-2.8 1,-0.4 31,-0.5 0.849 132.9 -20.8 -99.2 -50.8 24.0 -24.1 4.3 16 16 A C E < -A 44 0A 2 -4,-1.9 -1,-0.4 28,-0.3 2,-0.4 -0.979 55.9-145.3-155.8 162.8 27.6 -23.9 2.9 17 17 A R E -A 43 0A 87 26,-2.1 26,-2.8 -2,-0.3 2,-0.3 -0.987 16.5-129.2-139.5 127.5 30.6 -21.7 3.2 18 18 A T E +A 42 0A 5 -2,-0.4 24,-0.2 24,-0.2 135,-0.1 -0.588 25.0 178.1 -71.1 128.5 33.3 -20.8 0.6 19 19 A K E + 0 0 78 22,-3.6 136,-2.1 -2,-0.3 2,-0.3 0.726 62.2 7.5-102.4 -31.2 36.7 -21.3 2.2 20 20 A H E -Ab 41 155A 46 21,-1.2 21,-2.8 134,-0.2 2,-0.4 -0.997 53.2-153.6-155.1 145.1 39.0 -20.5 -0.7 21 21 A L E -Ab 40 156A 4 134,-2.0 136,-2.5 -2,-0.3 2,-0.6 -0.991 4.4-169.8-119.0 128.0 39.0 -19.0 -4.2 22 22 A H E -Ab 39 157A 50 17,-2.4 17,-2.5 -2,-0.4 2,-0.5 -0.952 16.5-167.2-110.8 110.4 41.6 -19.9 -6.8 23 23 A L E +Ab 38 158A 5 134,-2.7 136,-2.5 -2,-0.6 2,-0.5 -0.836 14.8 177.9-100.5 127.6 41.1 -17.5 -9.7 24 24 A R E +Ab 37 159A 131 13,-2.5 13,-2.9 -2,-0.5 2,-0.3 -0.970 25.4 150.0-123.7 115.0 42.8 -18.0 -13.0 25 25 A C E -Ab 36 160A 10 134,-2.5 136,-2.9 -2,-0.5 2,-0.4 -0.929 38.0-139.7-143.1 164.7 41.8 -15.4 -15.6 26 26 A S E -Ab 35 161A 28 9,-2.8 9,-2.3 -2,-0.3 2,-0.7 -0.993 19.0-136.4-127.5 136.0 42.9 -13.4 -18.6 27 27 A V E -A 34 0A 0 134,-2.8 2,-0.8 -2,-0.4 7,-0.2 -0.818 18.0-166.4 -96.1 112.4 42.1 -9.7 -19.1 28 28 A D E >> +A 33 0A 35 5,-2.9 5,-1.7 -2,-0.7 4,-1.3 -0.836 11.7 179.1-104.8 101.6 41.0 -9.1 -22.7 29 29 A F T 45S+ 0 0 37 -2,-0.8 -1,-0.2 1,-0.2 101,-0.1 0.740 80.2 61.2 -73.7 -22.8 41.0 -5.3 -23.5 30 30 A T T 45S+ 0 0 136 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.893 120.4 24.7 -69.9 -38.5 39.9 -5.9 -27.1 31 31 A R T 45S- 0 0 110 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.487 101.8-128.2-101.5 -7.3 36.6 -7.5 -25.9 32 32 A R T <5 + 0 0 91 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.937 66.5 127.2 53.8 48.9 36.5 -5.8 -22.5 33 33 A T E < -A 28 0A 5 -5,-1.7 -5,-2.9 77,-0.1 2,-0.5 -0.970 57.8-141.9-131.5 149.5 36.0 -9.2 -20.8 34 34 A L E -A 27 0A 2 -2,-0.3 74,-2.3 -7,-0.2 2,-0.4 -0.965 30.3-173.5-102.7 126.3 37.7 -11.1 -18.0 35 35 A T E +AC 26 107A 43 -9,-2.3 -9,-2.8 -2,-0.5 2,-0.3 -0.967 27.5 74.9-124.5 137.3 37.8 -14.8 -18.9 36 36 A G E -AC 25 106A 18 70,-2.2 70,-2.4 -2,-0.4 2,-0.4 -0.980 68.3 -52.7 167.2-150.2 38.9 -17.7 -16.8 37 37 A T E -AC 24 105A 28 -13,-2.9 -13,-2.5 -2,-0.3 2,-0.6 -0.983 24.3-159.3-129.0 136.4 38.1 -20.2 -14.0 38 38 A A E -AC 23 104A 0 66,-2.4 66,-2.7 -2,-0.4 2,-0.7 -0.967 11.6-164.3-110.7 113.5 37.0 -19.6 -10.4 39 39 A A E -AC 22 103A 11 -17,-2.5 -17,-2.4 -2,-0.6 2,-0.6 -0.884 8.9-164.7 -99.1 111.4 37.7 -22.7 -8.3 40 40 A L E -AC 21 102A 3 62,-3.0 62,-2.7 -2,-0.7 2,-0.8 -0.859 13.5-149.7-100.9 123.3 35.8 -22.4 -5.1 41 41 A T E -AC 20 101A 32 -21,-2.8 -22,-3.6 -2,-0.6 -21,-1.2 -0.835 28.5-171.8 -86.9 112.2 36.6 -24.6 -2.2 42 42 A V E -AC 18 100A 3 58,-2.6 58,-2.1 -2,-0.8 2,-0.5 -0.888 16.9-153.6-117.1 138.1 33.3 -25.0 -0.4 43 43 A Q E -AC 17 99A 28 -26,-2.8 -26,-2.1 -2,-0.4 56,-0.2 -0.936 19.3-129.4-112.2 122.9 32.4 -26.6 2.9 44 44 A S E -A 16 0A 0 54,-2.8 53,-2.8 -2,-0.5 -28,-0.3 -0.417 17.1-172.2 -66.6 140.2 29.0 -28.1 3.5 45 45 A Q + 0 0 25 -30,-2.8 2,-0.3 51,-0.2 -29,-0.2 0.274 68.7 61.6-109.5 5.3 27.3 -26.9 6.7 46 46 A E S > S- 0 0 77 -31,-0.5 3,-0.6 49,-0.2 2,-0.2 -0.910 84.4-108.2-131.1 154.4 24.5 -29.4 6.3 47 47 A D T 3 S+ 0 0 126 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.572 99.8 10.4 -75.1 146.8 24.0 -33.2 6.1 48 48 A N T 3 S- 0 0 84 46,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.851 80.0-178.3 55.9 43.7 23.1 -34.6 2.7 49 49 A L E < +H 94 0B 9 45,-2.3 45,-2.4 -3,-0.6 -1,-0.2 -0.628 13.0 164.7 -78.0 122.6 23.8 -31.4 0.7 50 50 A R E + 0 0 153 -2,-0.5 40,-2.2 1,-0.2 2,-0.3 0.529 58.5 18.6-119.4 -10.9 23.0 -32.0 -3.0 51 51 A S E -H 89 0B 48 38,-0.2 2,-0.3 40,-0.0 -1,-0.2 -0.982 55.3-171.0-151.9 163.9 22.9 -28.5 -4.5 52 52 A L E -H 88 0B 3 36,-1.6 36,-3.3 -2,-0.3 2,-0.4 -0.986 16.2-132.7-154.4 159.8 23.9 -25.0 -3.8 53 53 A V E -H 87 0B 27 -2,-0.3 -42,-2.5 34,-0.2 2,-0.3 -0.918 16.1-167.0-119.9 140.6 23.3 -21.6 -5.3 54 54 A L E -H 86 0B 3 32,-2.1 32,-2.8 -2,-0.4 2,-0.3 -0.877 25.3-110.8-119.6 155.4 25.8 -18.8 -6.2 55 55 A D E +HI 85 146B 0 91,-2.9 91,-1.5 -2,-0.3 2,-0.3 -0.659 39.5 168.7 -79.4 139.9 25.4 -15.1 -7.1 56 56 A T E -H 84 0B 3 28,-0.8 28,-1.9 -2,-0.3 2,-0.3 -0.974 16.9-165.5-142.8 158.0 26.2 -14.1 -10.6 57 57 A K S S- 0 0 16 84,-1.7 52,-0.3 -2,-0.3 3,-0.1 -0.859 75.1 -25.3-148.6 113.3 25.5 -10.9 -12.6 58 58 A D S S+ 0 0 38 -2,-0.3 51,-0.5 1,-0.2 2,-0.3 0.838 95.0 148.9 54.2 35.2 25.8 -10.6 -16.3 59 59 A L E -D 108 0A 13 49,-0.2 2,-0.6 25,-0.1 -1,-0.2 -0.784 44.5-141.1 -97.2 143.6 28.2 -13.5 -16.3 60 60 A T E -D 107 0A 87 47,-2.9 47,-1.5 -2,-0.3 2,-0.5 -0.926 18.0-154.9-101.5 117.3 28.5 -16.0 -19.2 61 61 A I E +D 106 0A 18 -2,-0.6 45,-0.2 45,-0.2 3,-0.1 -0.817 18.2 177.7 -96.6 125.1 29.0 -19.6 -17.8 62 62 A E E - 0 0 136 43,-2.7 2,-0.3 -2,-0.5 -1,-0.2 0.911 64.2 -30.8 -84.9 -53.5 30.8 -22.1 -20.0 63 63 A K E -D 105 0A 58 42,-0.8 42,-2.7 2,-0.0 2,-0.4 -0.988 44.6-133.4-162.6 159.7 30.8 -25.1 -17.7 64 64 A V E -D 104 0A 1 7,-0.5 7,-2.8 -2,-0.3 2,-0.5 -0.994 25.5-166.0-123.3 126.0 31.0 -26.2 -14.1 65 65 A V E +DE 103 70A 18 38,-3.0 38,-2.7 -2,-0.4 2,-0.4 -0.943 14.0 168.2-121.3 129.2 33.5 -29.0 -13.2 66 66 A I E > S+ E 0 69A 4 3,-2.5 3,-1.8 -2,-0.5 36,-0.1 -0.999 75.4 2.3-134.8 136.4 33.7 -31.1 -10.0 67 67 A N T 3 S- 0 0 113 34,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.762 130.7 -61.6 60.1 24.0 35.8 -34.3 -9.6 68 68 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.502 118.4 97.8 84.4 3.2 37.1 -33.7 -13.1 69 69 A Q E < S-E 66 0A 140 -3,-1.8 -3,-2.5 0, 0.0 -1,-0.2 -0.936 78.1-106.7-125.0 149.6 33.6 -34.0 -14.7 70 70 A E E -E 65 0A 136 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.488 37.7-159.1 -72.6 139.9 31.1 -31.4 -15.9 71 71 A V - 0 0 23 -7,-2.8 -7,-0.5 -2,-0.2 2,-0.2 -0.761 22.7 -92.9-118.8 164.3 28.0 -31.1 -13.7 72 72 A K + 0 0 166 17,-0.3 17,-2.6 -2,-0.3 2,-0.3 -0.509 46.3 167.0 -77.0 143.1 24.5 -29.8 -14.3 73 73 A Y E -J 88 0B 77 15,-0.2 2,-0.4 -2,-0.2 15,-0.2 -0.975 18.1-154.8-149.0 160.8 23.7 -26.1 -13.4 74 74 A A E -J 87 0B 57 13,-2.4 13,-2.6 -2,-0.3 2,-0.5 -0.988 9.8-143.9-143.5 132.0 20.9 -23.6 -14.0 75 75 A L E -J 86 0B 81 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.832 23.6-143.5 -92.8 124.8 20.8 -19.9 -14.2 76 76 A G - 0 0 33 9,-3.4 3,-0.1 -2,-0.5 -1,-0.0 -0.242 35.8 -73.0 -78.6 172.8 17.6 -18.4 -12.8 77 77 A E - 0 0 157 1,-0.1 -1,-0.2 7,-0.1 2,-0.1 -0.326 61.1 -93.0 -65.5 149.8 15.8 -15.3 -14.2 78 78 A R - 0 0 109 6,-0.2 2,-0.4 1,-0.1 6,-0.2 -0.395 28.8-157.1 -67.7 136.2 17.5 -12.0 -13.4 79 79 A Q > - 0 0 83 4,-3.0 3,-1.8 1,-0.3 4,-0.2 -0.572 42.7-102.9-112.9 66.3 16.3 -10.2 -10.3 80 80 A S G > S- 0 0 84 -2,-0.4 3,-1.3 1,-0.3 -1,-0.3 -0.248 96.2 -1.4 57.8-130.4 17.3 -6.6 -11.2 81 81 A Y G 3 S+ 0 0 25 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.649 127.1 67.7 -69.0 -16.4 20.4 -5.3 -9.5 82 82 A K G < S- 0 0 20 -3,-1.8 -1,-0.3 1,-0.2 -26,-0.3 0.719 95.5-147.7 -77.4 -21.4 20.9 -8.6 -7.6 83 83 A G < - 0 0 0 -3,-1.3 -4,-3.0 -4,-0.2 -26,-0.3 -0.564 33.6 -38.7 91.4-155.0 21.7 -10.5 -10.8 84 84 A S E -H 56 0B 21 -28,-1.9 -28,-0.8 -6,-0.2 2,-0.2 -0.948 51.7-124.8-119.1 131.5 20.8 -14.1 -11.6 85 85 A P E -H 55 0B 25 0, 0.0 -9,-3.4 0, 0.0 2,-0.6 -0.495 19.0-151.7 -70.9 136.9 21.0 -17.1 -9.2 86 86 A M E -HJ 54 75B 0 -32,-2.8 -32,-2.1 -11,-0.2 2,-0.4 -0.895 8.1-162.2-116.2 102.9 23.2 -20.0 -10.3 87 87 A E E -HJ 53 74B 100 -13,-2.6 -13,-2.4 -2,-0.6 2,-0.5 -0.692 5.3-161.2 -87.4 132.3 22.1 -23.3 -8.9 88 88 A I E -HJ 52 73B 0 -36,-3.3 -36,-1.6 -2,-0.4 2,-0.7 -0.952 11.3-142.0-118.8 128.0 24.7 -26.1 -9.1 89 89 A S E -H 51 0B 55 -17,-2.6 -17,-0.3 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399 A G >< - 0 0 14 -5,-3.0 4,-2.2 -6,-0.2 5,-0.2 -0.415 65.1 -52.1 113.0 176.9 36.2 9.7 27.8 400 400 A P H > S+ 0 0 41 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.862 125.7 53.0 -63.7 -40.7 38.4 8.8 24.8 401 401 A E H > S+ 0 0 174 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.920 113.0 45.8 -62.4 -42.5 41.0 6.7 26.7 402 402 A I H > S+ 0 0 63 -4,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.911 115.2 45.3 -65.3 -42.6 38.3 4.6 28.2 403 403 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.841 106.4 58.6 -76.3 -30.7 36.4 4.1 24.9 404 404 A L H X S+ 0 0 21 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.811 100.7 59.1 -64.9 -28.9 39.5 3.3 22.9 405 405 A G H X S+ 0 0 28 -4,-1.1 4,-1.7 -5,-0.2 -1,-0.2 0.901 106.7 46.6 -62.3 -40.6 40.0 0.5 25.4 406 406 A F H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.910 109.1 55.0 -64.8 -44.1 36.6 -0.9 24.3 407 407 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.911 109.8 45.3 -57.2 -45.9 37.5 -0.4 20.6 408 408 A K H X S+ 0 0 80 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.877 114.0 48.8 -69.8 -36.5 40.6 -2.5 20.9 409 409 A A H X 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31.2 -11.1 10.6 419 419 A I E -s 308 0E 4 -112,-2.7 -110,-2.4 -2,-0.4 -109,-0.3 -0.829 21.5-130.2-136.0 162.7 28.8 -9.6 13.1 420 420 A T > - 0 0 20 -2,-0.3 4,-2.0 -112,-0.2 5,-0.1 -0.566 38.7-100.2-104.9 173.5 25.5 -7.8 13.6 421 421 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.881 124.4 54.2 -58.6 -38.9 24.5 -4.7 15.6 422 422 A D H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.864 105.0 53.4 -67.5 -34.9 23.2 -6.9 18.3 423 423 A D H > S+ 0 0 54 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.920 112.1 45.9 -58.8 -45.4 26.5 -8.7 18.5 424 424 A W H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.933 113.8 47.2 -63.6 -47.4 28.2 -5.3 18.9 425 425 A K H X S+ 0 0 52 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.879 108.9 55.0 -66.0 -38.3 25.7 -4.1 21.5 426 426 A D H X S+ 0 0 106 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.904 112.1 43.7 -61.1 -41.4 26.0 -7.3 23.5 427 427 A F H X S+ 0 0 22 -4,-1.7 4,-3.4 2,-0.2 5,-0.3 0.872 108.6 57.2 -73.8 -36.5 29.7 -6.9 23.7 428 428 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.946 111.6 43.7 -54.2 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106.1 57.3 -66.1 -36.9 32.4 39.9 -4.0 520 520 A M H X>S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.6 0.912 110.0 43.5 -60.7 -42.7 33.6 36.7 -2.5 521 521 A Q H X5S+ 0 0 34 -4,-1.9 4,-1.3 3,-0.2 -1,-0.2 0.891 111.1 56.9 -68.8 -36.7 35.5 35.8 -5.6 522 522 A E H <5S+ 0 0 137 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.896 121.8 23.6 -61.4 -41.3 36.7 39.4 -5.9 523 523 A V H <5S+ 0 0 23 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.759 133.1 33.3-101.3 -27.5 38.4 39.4 -2.5 524 524 A Y H <5S- 0 0 15 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.657 83.4-147.5-102.3 -20.8 39.1 35.7 -1.7 525 525 A N ><< + 0 0 82 -4,-1.3 3,-1.6 -5,-0.6 4,-0.2 0.913 30.1 167.3 50.9 50.8 39.8 34.5 -5.2 526 526 A F G > + 0 0 0 -6,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.737 65.1 75.9 -64.6 -22.6 38.3 31.0 -4.5 527 527 A N G 3 S+ 0 0 51 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.747 91.0 58.6 -57.3 -22.3 38.4 30.3 -8.2 528 528 A A G < S+ 0 0 55 -3,-1.6 2,-0.4 2,-0.0 -1,-0.3 0.606 80.4 101.8 -86.6 -14.2 42.1 29.8 -7.8 529 529 A I < - 0 0 42 -3,-1.6 -4,-0.0 -4,-0.2 -3,-0.0 -0.586 45.8-173.9 -81.4 128.9 42.0 27.0 -5.2 530 530 A N + 0 0 140 -2,-0.4 -1,-0.1 -246,-0.1 2,-0.1 0.594 45.2 121.9 -96.6 -14.9 42.6 23.5 -6.6 531 531 A N > - 0 0 15 1,-0.2 4,-3.1 -247,-0.1 5,-0.3 -0.323 61.8-142.0 -49.9 117.5 41.9 21.7 -3.3 532 532 A S H > S+ 0 0 10 -251,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.849 95.1 48.8 -62.0 -38.2 39.0 19.4 -4.5 533 533 A E H > S+ 0 0 17 -252,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 115.9 43.2 -68.9 -43.2 36.9 19.7 -1.3 534 534 A I H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.945 115.7 47.7 -66.3 -46.9 37.1 23.5 -1.2 535 535 A R H X S+ 0 0 43 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.917 109.1 55.7 -64.1 -41.2 36.5 23.9 -4.9 536 536 A F H X S+ 0 0 9 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.949 112.9 40.2 -50.9 -53.8 33.6 21.5 -4.8 537 537 A R H X S+ 0 0 14 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.885 114.1 53.1 -70.2 -37.3 31.8 23.6 -2.1 538 538 A W H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.945 111.1 46.4 -60.5 -48.3 32.7 26.9 -3.6 539 539 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.886 110.9 52.3 -65.2 -37.1 31.3 25.9 -7.0 540 540 A R H X S+ 0 0 59 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.930 109.7 50.0 -60.9 -43.0 28.1 24.5 -5.4 541 541 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -29,-0.3 0.898 111.9 48.4 -62.5 -40.0 27.7 27.8 -3.6 542 542 A C H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 -1,-0.2 0.911 114.4 43.6 -66.5 -44.9 28.2 29.7 -6.9 543 543 A I H ><5S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.897 113.2 50.4 -70.9 -40.5 25.7 27.6 -8.9 544 544 A Q H 3<5S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.763 109.9 52.6 -69.0 -22.5 23.1 27.5 -6.1 545 545 A S T 3<5S- 0 0 5 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.307 119.4-115.4 -93.8 6.6 23.5 31.3 -6.0 546 546 A K T < 5 + 0 0 110 -3,-1.5 2,-0.8 1,-0.2 -3,-0.2 0.822 54.7 160.9 70.1 37.1 22.9 31.5 -9.8 547 547 A W > < - 0 0 24 -5,-2.5 3,-1.6 1,-0.2 4,-0.4 -0.803 24.4-163.2 -89.6 107.7 26.2 32.8 -11.0 548 548 A E G > S+ 0 0 93 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.789 84.3 68.5 -64.5 -26.7 26.3 31.9 -14.7 549 549 A D G 3 S+ 0 0 110 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.810 96.1 55.4 -59.5 -29.6 30.1 32.4 -14.8 550 550 A A G <> S+ 0 0 2 -3,-1.6 4,-2.8 1,-0.2 -1,-0.3 0.596 83.9 87.9 -81.8 -11.5 30.5 29.3 -12.6 551 551 A I H <> S+ 0 0 15 -3,-1.4 4,-2.5 -4,-0.4 5,-0.2 0.923 90.3 43.0 -57.7 -50.4 28.6 27.0 -15.0 552 552 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.880 114.6 51.9 -64.1 -34.5 31.6 26.0 -17.1 553 553 A L H > S+ 0 0 46 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.911 112.2 45.6 -66.1 -42.0 33.7 25.6 -14.0 554 554 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.888 112.9 49.7 -68.7 -40.6 31.1 23.3 -12.4 555 555 A L H X S+ 0 0 13 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.885 110.9 51.6 -64.0 -38.8 30.6 21.3 -15.6 556 556 A K H X S+ 0 0 105 -4,-2.2 4,-2.7 -5,-0.2 3,-0.5 0.946 112.3 43.3 -64.1 -50.1 34.4 20.9 -15.9 557 557 A M H X S+ 0 0 18 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.891 110.6 57.1 -64.0 -37.2 34.9 19.6 -12.4 558 558 A A H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.800 119.9 28.6 -63.9 -29.7 31.8 17.3 -12.7 559 559 A T H < S+ 0 0 44 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.722 108.4 64.8-106.4 -27.2 33.3 15.6 -15.8 560 560 A E H < S+ 0 0 116 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.1 0.618 116.6 24.8 -77.5 -12.5 37.1 15.8 -15.4 561 561 A Q < - 0 0 19 -4,-0.8 -297,-0.3 -5,-0.2 -282,-0.0 -0.943 66.2-153.4-141.6 167.8 36.8 13.6 -12.3 562 562 A G + 0 0 10 -299,-3.1 2,-0.3 -2,-0.3 -298,-0.2 0.196 38.0 140.7-133.9 16.6 34.2 11.1 -11.2 563 563 A R >> - 0 0 12 -300,-0.4 4,-2.8 1,-0.2 3,-1.8 -0.506 50.0-140.1 -62.4 123.5 34.3 10.8 -7.4 564 564 A M H 3> S+ 0 0 13 -298,-2.8 4,-1.8 -2,-0.3 -1,-0.2 0.809 96.8 67.3 -66.3 -29.9 30.6 10.6 -6.7 565 565 A K H 34 S+ 0 0 86 -299,-0.4 -1,-0.3 1,-0.2 -298,-0.1 0.774 118.4 24.9 -53.3 -30.0 30.8 12.8 -3.7 566 566 A F H <> S+ 0 0 0 -3,-1.8 4,-1.8 3,-0.1 -2,-0.2 0.833 121.3 51.5-103.0 -50.6 31.6 15.6 -6.1 567 567 A T H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.881 108.2 50.4 -61.9 -42.3 30.1 14.6 -9.5 568 568 A R H X S+ 0 0 55 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.955 113.3 41.8 -67.9 -49.8 26.6 13.8 -8.3 569 569 A P H > S+ 0 0 28 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.852 114.4 53.5 -65.7 -32.0 25.9 17.0 -6.3 570 570 A L H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.953 111.8 44.0 -67.3 -47.7 27.5 19.2 -9.1 571 571 A F H X S+ 0 0 2 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.903 114.7 50.2 -60.4 -40.6 25.3 17.6 -11.8 572 572 A K H X S+ 0 0 107 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.911 112.1 46.7 -67.8 -40.5 22.3 17.9 -9.6 573 573 A D H X S+ 0 0 16 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.928 112.4 50.2 -63.0 -46.9 23.0 21.6 -8.8 574 574 A L H < S+ 0 0 1 -4,-2.7 6,-0.3 1,-0.2 10,-0.3 0.832 110.4 51.3 -59.8 -34.4 23.6 22.3 -12.5 575 575 A A H < S+ 0 0 19 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.852 108.9 50.1 -70.0 -35.7 20.3 20.5 -13.3 576 576 A A H < S+ 0 0 88 -4,-1.7 2,-0.6 -5,-0.1 -2,-0.2 0.706 92.2 85.6 -78.9 -21.1 18.4 22.7 -10.8 577 577 A F S >X S- 0 0 11 -4,-1.4 4,-1.3 1,-0.2 3,-1.1 -0.738 75.0-147.4 -82.2 117.2 19.8 25.9 -12.2 578 578 A D T 34 S+ 0 0 110 -2,-0.6 4,-0.5 1,-0.3 3,-0.2 0.841 94.1 56.4 -58.3 -34.6 17.6 26.9 -15.0 579 579 A K T 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.781 118.5 30.3 -69.2 -28.2 20.4 28.5 -17.0 580 580 A S T <> S+ 0 0 0 -3,-1.1 4,-2.6 -6,-0.3 -1,-0.2 0.448 91.7 99.8-108.9 -1.8 22.6 25.3 -17.0 581 581 A H H X S+ 0 0 77 -4,-1.3 4,-2.0 1,-0.2 5,-0.2 0.907 84.4 43.3 -56.1 -53.1 19.9 22.6 -17.0 582 582 A D H > S+ 0 0 129 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.892 116.4 48.7 -63.0 -38.4 19.8 21.7 -20.6 583 583 A Q H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.849 107.2 55.5 -71.4 -32.7 23.6 21.7 -20.8 584 584 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 -10,-0.3 -1,-0.2 0.925 111.8 43.8 -62.9 -44.4 23.9 19.6 -17.7 585 585 A V H X S+ 0 0 31 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.918 113.6 49.9 -66.7 -44.3 21.7 16.9 -19.3 586 586 A R H X S+ 0 0 110 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.884 110.5 51.3 -60.6 -39.6 23.5 17.2 -22.7 587 587 A T H X S+ 0 0 10 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.857 109.6 49.0 -70.3 -36.0 26.8 16.8 -20.9 588 588 A Y H X S+ 0 0 7 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.936 110.7 51.0 -65.8 -46.0 25.7 13.7 -19.1 589 589 A Q H < S+ 0 0 76 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.903 111.4 48.0 -57.5 -42.8 24.4 12.2 -22.3 590 590 A E H < S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.826 121.2 35.4 -68.3 -31.5 27.7 12.8 -24.0 591 591 A H H >< S+ 0 0 64 -4,-1.4 3,-1.9 -3,-0.2 4,-0.5 0.661 90.3 94.2 -98.0 -18.7 29.8 11.4 -21.2 592 592 A K G >< S+ 0 0 66 -4,-2.5 3,-1.8 1,-0.3 -1,-0.1 0.847 82.4 52.9 -44.0 -52.4 27.5 8.5 -20.0 593 593 A A G 3 S+ 0 0 100 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.733 113.4 43.7 -62.3 -24.2 29.1 5.8 -22.1 594 594 A S G < S+ 0 0 54 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.302 95.5 98.0-106.7 7.2 32.6 6.6 -20.8 595 595 A M S < S- 0 0 35 -3,-1.8 -36,-0.0 -4,-0.5 -331,-0.0 -0.468 91.3 -82.3 -87.2 164.0 31.7 7.0 -17.1 596 596 A H > - 0 0 5 -332,-0.2 4,-2.8 -2,-0.1 5,-0.3 -0.459 46.4-120.6 -59.5 137.6 32.0 4.4 -14.4 597 597 A P H > S+ 0 0 43 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.839 110.0 45.2 -58.0 -36.5 28.9 2.2 -14.7 598 598 A V H > S+ 0 0 9 -485,-0.2 4,-2.2 2,-0.2 5,-0.2 0.926 114.0 48.5 -72.6 -44.4 27.6 2.9 -11.2 599 599 A T H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.895 110.3 52.1 -62.0 -41.2 28.2 6.6 -11.4 600 600 A A H X S+ 0 0 12 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.900 109.9 50.1 -61.9 -39.8 26.5 6.8 -14.8 601 601 A M H X S+ 0 0 80 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.934 113.7 43.4 -65.4 -45.6 23.5 5.0 -13.3 602 602 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.863 112.1 50.7 -73.9 -38.9 23.2 7.3 -10.3 603 603 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.906 109.8 53.7 -63.4 -40.1 23.7 10.6 -12.1 604 604 A G H X>S+ 0 0 2 -4,-1.8 5,-2.9 -5,-0.3 4,-0.7 0.930 109.8 45.9 -57.9 -47.9 21.0 9.4 -14.6 605 605 A K H ><5S+ 0 0 101 -4,-1.9 3,-0.7 3,-0.2 -1,-0.2 0.907 112.6 51.7 -59.8 -43.4 18.6 8.8 -11.7 606 606 A D H 3<5S+ 0 0 33 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.3 40.9 -60.1 -42.0 19.5 12.2 -10.2 607 607 A L H 3<5S- 0 0 14 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.474 108.3-124.1 -86.3 -4.0 18.9 13.9 -13.5 608 608 A K T <<5 + 0 0 183 -4,-0.7 2,-0.5 -3,-0.7 -3,-0.2 0.879 60.6 152.1 60.3 37.8 15.8 11.9 -14.2 609 609 A V < 0 0 14 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.881 360.0 360.0-107.5 131.2 17.4 10.9 -17.5 610 610 A D 0 0 167 -2,-0.5 -5,-0.1 -3,-0.1 -1,-0.1 -0.284 360.0 360.0 66.5 360.0 16.7 7.6 -19.3