==== 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 HYDROLASE/HYDROLASE INHIBITOR 08-DEC-08 3FH5 . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.MAMAT,D.R.DAVIES . 606 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 71.9 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 . 93 15.3 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 . 4 0.7 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 . 38 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 31.7 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 1 4 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 1 2 1 0 2 0 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 0 155 0, 0.0 2,-0.8 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 157.1 20.2 13.8 -6.3 2 5 A D > - 0 0 17 1,-0.1 3,-1.6 305,-0.1 305,-0.0 -0.769 360.0-168.8-101.2 105.5 21.4 11.4 -3.6 3 6 A T T 3 S+ 0 0 49 -2,-0.8 365,-0.4 1,-0.3 -1,-0.1 0.461 86.6 60.6 -74.6 -0.0 18.5 9.8 -1.6 4 7 A C T 3 S+ 0 0 1 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.511 96.4 71.7 -98.7 -7.6 21.0 8.5 1.0 5 8 A S < - 0 0 19 -3,-1.6 141,-0.1 1,-0.1 139,-0.1 -0.887 52.8-168.2-114.9 142.3 22.3 12.0 2.0 6 9 A L + 0 0 35 -2,-0.4 -1,-0.1 73,-0.3 138,-0.1 0.404 62.5 103.8 -98.7 -4.9 20.6 14.7 4.0 7 10 A A S S- 0 0 12 1,-0.2 44,-0.2 136,-0.1 -2,-0.1 -0.254 88.8 -78.8 -76.4 163.3 23.2 17.3 3.0 8 11 A S - 0 0 14 42,-2.5 -1,-0.2 1,-0.1 44,-0.1 -0.394 58.8-116.3 -53.9 132.9 23.0 20.1 0.5 9 12 A P >> - 0 0 44 0, 0.0 3,-2.3 0, 0.0 4,-1.9 -0.250 24.1-100.2 -73.3 169.1 23.5 18.6 -3.0 10 13 A A T 34 S+ 0 0 18 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.693 120.8 65.8 -61.2 -21.9 26.4 19.3 -5.3 11 14 A S T 34 S+ 0 0 76 1,-0.1 -1,-0.3 30,-0.0 3,-0.1 0.614 109.0 37.9 -75.2 -12.9 24.1 21.7 -7.3 12 15 A V T <4 S- 0 0 22 -3,-2.3 30,-3.0 1,-0.4 31,-0.5 0.808 133.1 -17.7-102.3 -49.9 23.9 24.0 -4.2 13 16 A C E < -A 41 0A 1 -4,-1.9 -1,-0.4 28,-0.3 2,-0.4 -0.978 56.7-146.6-156.8 158.6 27.5 23.8 -2.8 14 17 A R E -A 40 0A 98 26,-2.2 26,-3.0 -2,-0.3 2,-0.4 -0.990 16.1-131.2-136.3 126.0 30.5 21.6 -3.1 15 18 A T E +A 39 0A 4 -2,-0.4 24,-0.2 24,-0.2 135,-0.1 -0.636 25.0 177.5 -71.7 124.8 33.2 20.7 -0.5 16 19 A K E + 0 0 78 22,-3.1 136,-2.2 -2,-0.4 2,-0.3 0.715 62.6 9.0 -98.3 -30.4 36.6 21.2 -2.1 17 20 A H E -Ab 38 152A 47 21,-1.2 21,-2.8 134,-0.3 2,-0.4 -0.997 53.6-155.6-154.7 146.4 38.9 20.4 0.8 18 21 A L E -Ab 37 153A 1 134,-1.8 136,-2.3 -2,-0.3 2,-0.6 -0.994 3.7-168.8-121.2 126.6 38.8 19.0 4.3 19 22 A H E -Ab 36 154A 54 17,-2.4 17,-2.7 -2,-0.4 2,-0.5 -0.968 15.4-166.5-110.8 113.8 41.5 19.8 6.9 20 23 A L E +Ab 35 155A 4 134,-2.4 136,-2.5 -2,-0.6 2,-0.5 -0.882 13.4 179.1-103.0 123.3 41.0 17.4 9.8 21 24 A R E +Ab 34 156A 108 13,-2.6 13,-2.9 -2,-0.5 2,-0.3 -0.981 26.5 150.0-119.7 113.9 42.7 18.0 13.2 22 25 A C E -Ab 33 157A 10 134,-2.6 136,-2.8 -2,-0.5 2,-0.4 -0.951 39.0-140.9-146.0 164.8 41.7 15.3 15.7 23 26 A S E -Ab 32 158A 32 9,-2.5 9,-2.3 -2,-0.3 2,-0.7 -0.992 18.9-137.3-129.7 135.3 42.8 13.3 18.7 24 27 A V E -A 31 0A 0 134,-2.5 2,-0.9 -2,-0.4 7,-0.2 -0.836 17.8-165.4 -95.7 107.9 42.0 9.6 19.2 25 28 A D E >> +A 30 0A 37 5,-2.9 5,-1.7 -2,-0.7 4,-1.4 -0.808 11.8 179.1-102.4 100.0 40.9 9.0 22.8 26 29 A F T 45S+ 0 0 36 -2,-0.9 -1,-0.2 1,-0.2 101,-0.1 0.764 80.0 60.9 -70.9 -27.2 41.0 5.3 23.6 27 30 A T T 45S+ 0 0 129 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.901 120.7 25.5 -65.1 -36.7 39.9 5.8 27.2 28 31 A R T 45S- 0 0 116 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.534 101.3-127.5-101.9 -8.0 36.6 7.4 26.0 29 32 A R T <5 + 0 0 91 -4,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.916 67.2 128.4 52.7 47.8 36.4 5.7 22.6 30 33 A T E < -A 25 0A 3 -5,-1.7 -5,-2.9 77,-0.1 2,-0.5 -0.970 56.5-145.9-130.3 146.8 35.9 9.1 20.9 31 34 A L E -A 24 0A 0 -2,-0.4 74,-2.6 -7,-0.2 2,-0.4 -0.958 30.0-175.8-101.3 127.7 37.5 11.0 18.1 32 35 A T E +AC 23 104A 38 -9,-2.3 -9,-2.5 -2,-0.5 2,-0.3 -0.966 26.3 73.5-126.3 144.1 37.6 14.7 19.0 33 36 A G E -AC 22 103A 21 70,-2.4 70,-2.4 -2,-0.4 2,-0.4 -0.989 68.9 -46.9 161.1-149.9 38.7 17.7 17.0 34 37 A T E -AC 21 102A 18 -13,-2.9 -13,-2.6 -2,-0.3 2,-0.6 -0.979 24.3-160.0-130.2 136.2 37.9 20.1 14.2 35 38 A A E -AC 20 101A 0 66,-2.4 66,-2.9 -2,-0.4 2,-0.7 -0.978 12.2-164.1-110.7 111.8 36.8 19.5 10.6 36 39 A A E -AC 19 100A 14 -17,-2.7 -17,-2.4 -2,-0.6 2,-0.6 -0.893 9.5-165.4 -97.7 106.8 37.6 22.6 8.4 37 40 A L E -AC 18 99A 3 62,-2.9 62,-2.7 -2,-0.7 2,-0.7 -0.858 13.6-150.6 -97.6 121.1 35.6 22.3 5.2 38 41 A T E -AC 17 98A 31 -21,-2.8 -22,-3.1 -2,-0.6 -21,-1.2 -0.834 27.3-169.6 -84.6 115.7 36.5 24.5 2.3 39 42 A V E -AC 15 97A 2 58,-3.1 58,-2.1 -2,-0.7 2,-0.6 -0.916 16.3-153.9-119.5 134.6 33.1 24.9 0.6 40 43 A Q E -AC 14 96A 29 -26,-3.0 -26,-2.2 -2,-0.4 56,-0.2 -0.920 19.5-131.0-107.3 121.7 32.3 26.5 -2.8 41 44 A S E -A 13 0A 0 54,-2.9 53,-2.8 -2,-0.6 -28,-0.3 -0.474 17.4-172.4 -66.1 141.3 28.9 27.9 -3.4 42 45 A Q + 0 0 27 -30,-3.0 2,-0.3 51,-0.2 -29,-0.2 0.207 68.5 63.7-111.4 8.7 27.1 26.8 -6.6 43 46 A E S > S- 0 0 80 -31,-0.5 3,-0.6 49,-0.2 2,-0.2 -0.952 83.8-111.4-132.1 150.5 24.3 29.3 -6.1 44 47 A D T 3 S+ 0 0 123 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.542 99.9 12.0 -72.0 148.3 23.9 33.1 -6.0 45 48 A N T 3 S- 0 0 83 46,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.849 81.5-177.3 55.5 42.7 22.9 34.5 -2.6 46 49 A L E < +H 91 0B 8 45,-2.4 45,-2.4 -3,-0.6 -1,-0.2 -0.613 13.5 165.1 -77.1 121.8 23.7 31.3 -0.6 47 50 A R E + 0 0 150 -2,-0.5 40,-2.3 1,-0.2 2,-0.3 0.528 57.5 14.7-117.8 -9.5 22.9 31.8 3.0 48 51 A S E -H 86 0B 47 38,-0.2 2,-0.3 40,-0.0 -1,-0.2 -0.979 55.1-168.3-156.3 161.6 22.8 28.3 4.6 49 52 A L E -H 85 0B 3 36,-1.6 36,-3.3 -2,-0.3 2,-0.4 -0.980 15.6-131.9-151.7 164.3 23.8 24.8 3.9 50 53 A V E -H 84 0B 26 -2,-0.3 -42,-2.5 34,-0.2 2,-0.3 -0.932 16.4-167.0-122.6 138.8 23.2 21.4 5.4 51 54 A L E -H 83 0B 2 32,-2.5 32,-2.8 -2,-0.4 2,-0.3 -0.868 25.3-111.1-119.0 155.6 25.7 18.7 6.3 52 55 A D E +HI 82 143B 0 91,-3.0 91,-1.6 -2,-0.3 2,-0.3 -0.645 39.3 169.6 -77.4 141.8 25.2 15.0 7.1 53 56 A T E -H 81 0B 3 28,-0.7 28,-1.9 -2,-0.3 2,-0.3 -0.972 16.2-167.7-144.3 156.3 26.0 13.9 10.7 54 57 A K S S- 0 0 13 84,-1.7 52,-0.3 -2,-0.3 3,-0.1 -0.843 75.4 -23.1-150.1 114.4 25.4 10.7 12.7 55 58 A D S S+ 0 0 67 -2,-0.3 51,-0.5 1,-0.2 2,-0.4 0.841 94.2 147.7 53.4 38.3 25.8 10.4 16.4 56 59 A L E -D 105 0A 15 49,-0.2 2,-0.6 25,-0.1 -1,-0.2 -0.853 44.5-142.7-102.1 140.3 28.1 13.4 16.5 57 60 A T E -D 104 0A 87 47,-2.7 47,-1.7 -2,-0.4 2,-0.5 -0.903 18.6-153.2 -96.5 119.0 28.3 15.9 19.3 58 61 A I E +D 103 0A 17 -2,-0.6 45,-0.2 45,-0.2 3,-0.1 -0.840 18.9 178.0 -98.8 126.6 28.8 19.4 17.9 59 62 A E E - 0 0 141 43,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.877 63.9 -32.8 -88.5 -49.3 30.6 22.0 20.1 60 63 A K E -D 102 0A 65 42,-1.0 42,-2.8 2,-0.0 2,-0.4 -0.984 43.7-131.7-164.9 163.8 30.6 24.9 17.7 61 64 A V E -D 101 0A 1 7,-0.4 7,-2.7 -2,-0.3 2,-0.5 -0.993 25.3-165.0-127.5 124.9 30.9 26.1 14.1 62 65 A V E +DE 100 67A 23 38,-3.0 38,-2.8 -2,-0.4 2,-0.4 -0.926 14.0 168.6-118.0 129.0 33.3 28.9 13.3 63 66 A I E > S+ E 0 66A 4 3,-2.4 3,-1.8 -2,-0.5 36,-0.1 -0.997 75.6 0.5-134.0 135.7 33.4 31.0 10.1 64 67 A N T 3 S- 0 0 116 34,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.833 131.3 -59.0 55.9 33.5 35.6 34.2 9.7 65 68 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.541 118.4 96.9 77.5 7.5 36.9 33.7 13.3 66 69 A Q E < S-E 63 0A 142 -3,-1.8 -3,-2.4 0, 0.0 -1,-0.2 -0.958 77.9-105.0-130.6 149.4 33.4 33.9 14.9 67 70 A E E -E 62 0A 138 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.453 39.0-162.4 -68.4 139.4 30.8 31.3 16.1 68 71 A V - 0 0 22 -7,-2.7 -7,-0.4 -2,-0.1 2,-0.2 -0.812 24.0 -91.0-121.9 163.5 27.8 31.0 13.9 69 72 A K + 0 0 167 17,-0.3 17,-3.0 -2,-0.3 2,-0.3 -0.482 46.2 166.6 -75.9 140.1 24.3 29.6 14.3 70 73 A Y E -J 85 0B 77 15,-0.2 2,-0.4 -2,-0.2 15,-0.2 -0.965 17.7-155.5-144.0 163.1 23.6 25.9 13.5 71 74 A A E -J 84 0B 57 13,-2.1 13,-2.7 -2,-0.3 2,-0.6 -0.995 10.1-143.9-142.6 135.5 20.8 23.4 14.1 72 75 A L E -J 83 0B 81 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.883 22.7-146.4 -96.5 122.5 20.7 19.7 14.3 73 76 A G - 0 0 34 9,-3.1 3,-0.1 -2,-0.6 2,-0.0 -0.233 36.4 -71.1 -76.1 172.5 17.5 18.2 12.9 74 77 A E - 0 0 176 1,-0.1 -1,-0.2 7,-0.1 2,-0.1 -0.352 60.3 -93.8 -64.9 146.9 15.8 15.0 14.2 75 78 A R - 0 0 108 6,-0.2 2,-0.6 1,-0.1 6,-0.2 -0.394 28.1-155.9 -64.1 134.3 17.5 11.7 13.5 76 79 A Q > - 0 0 93 4,-3.0 3,-2.1 1,-0.3 4,-0.2 -0.660 43.0-103.4-110.9 69.8 16.3 10.0 10.3 77 80 A S G > S- 0 0 80 -2,-0.6 3,-1.8 1,-0.3 -1,-0.3 -0.141 96.4 -1.5 49.6-131.1 17.3 6.4 11.3 78 81 A Y G 3 S+ 0 0 27 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.623 127.4 68.3 -68.2 -15.2 20.4 5.1 9.5 79 82 A K G < S- 0 0 20 -3,-2.1 -26,-0.3 1,-0.2 -1,-0.3 0.671 95.5-147.9 -76.4 -15.9 20.8 8.4 7.6 80 83 A G < - 0 0 0 -3,-1.8 -4,-3.0 -4,-0.2 -26,-0.3 -0.474 33.3 -42.0 81.4-154.5 21.6 10.3 10.9 81 84 A S E -H 53 0B 23 -28,-1.9 -28,-0.7 -6,-0.2 2,-0.2 -0.949 51.2-124.8-121.6 130.0 20.7 13.9 11.6 82 85 A P E -H 52 0B 24 0, 0.0 -9,-3.1 0, 0.0 2,-0.6 -0.481 18.6-150.4 -73.3 142.2 21.0 16.9 9.2 83 86 A M E -HJ 51 72B 0 -32,-2.8 -32,-2.5 -11,-0.2 2,-0.5 -0.948 6.9-160.7-117.0 109.1 23.0 19.9 10.4 84 87 A E E -HJ 50 71B 99 -13,-2.7 -13,-2.1 -2,-0.6 2,-0.5 -0.799 6.4-160.9 -91.7 129.4 22.0 23.3 9.0 85 88 A I E -HJ 49 70B 0 -36,-3.3 -36,-1.6 -2,-0.5 2,-0.7 -0.944 11.7-140.1-114.7 129.4 24.6 26.0 9.2 86 89 A S E -H 48 0B 55 -17,-3.0 -17,-0.3 -2,-0.5 -38,-0.2 -0.782 19.8-139.5 -91.5 111.0 23.7 29.7 9.0 87 90 A L E - 0 0 16 -40,-2.3 3,-0.1 -2,-0.7 4,-0.0 -0.542 3.0-142.3 -75.8 137.0 26.3 31.5 6.9 88 91 A P E S+ 0 0 71 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.758 87.3 29.8 -71.3 -27.2 27.2 34.9 8.3 89 92 A I E S- 0 0 110 -43,-0.1 -43,-0.1 -42,-0.0 0, 0.0 -0.998 92.1-109.9-135.0 130.1 27.5 36.6 4.8 90 93 A A E - 0 0 27 -2,-0.4 2,-0.3 -3,-0.1 -43,-0.2 -0.297 37.5-135.1 -56.8 134.5 25.6 35.6 1.7 91 94 A L E -H 46 0B 5 -45,-2.4 -45,-2.4 -47,-0.1 -46,-0.3 -0.733 4.9-136.9 -97.8 143.8 27.8 33.9 -0.9 92 95 A S > - 0 0 58 -2,-0.3 3,-1.9 -48,-0.2 -51,-0.3 -0.488 47.8 -73.0 -84.0 164.0 28.0 34.5 -4.6 93 96 A K T 3 S+ 0 0 130 1,-0.3 -51,-0.2 -51,-0.2 -1,-0.1 -0.383 121.3 12.4 -60.6 133.7 28.2 31.6 -7.1 94 97 A N T 3 S+ 0 0 93 -53,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.289 90.7 139.0 76.9 -4.2 31.8 30.1 -7.0 95 98 A Q < - 0 0 76 -3,-1.9 -54,-2.9 -55,-0.1 2,-0.4 -0.487 40.5-149.7 -70.3 139.5 32.7 31.9 -3.8 96 99 A E E +C 40 0A 98 -56,-0.2 2,-0.3 -2,-0.2 -56,-0.2 -0.913 19.6 170.6-115.5 137.4 34.7 29.7 -1.4 97 100 A I E -C 39 0A 21 -58,-2.1 -58,-3.1 -2,-0.4 2,-0.5 -0.916 29.8-120.7-135.5 166.3 34.8 29.9 2.4 98 101 A V E -C 38 0A 76 -2,-0.3 2,-0.5 -60,-0.2 -34,-0.5 -0.938 20.1-167.4-112.6 127.2 36.1 27.8 5.2 99 102 A I E -C 37 0A 1 -62,-2.7 -62,-2.9 -2,-0.5 2,-0.6 -0.970 6.4-159.6-115.5 116.7 33.8 26.4 7.9 100 103 A E E -CD 36 62A 77 -38,-2.8 -38,-3.0 -2,-0.5 2,-0.5 -0.871 8.3-168.9-103.4 115.6 35.5 25.0 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540 543 A I H ><5S+ 0 0 2 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.924 113.5 49.4 -68.6 -44.3 25.6 -27.6 8.9 541 544 A Q H 3<5S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.822 109.5 53.9 -64.1 -29.0 23.0 -27.6 6.1 542 545 A S T 3<5S- 0 0 3 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.264 119.8-113.6 -90.0 8.0 23.4 -31.4 6.0 543 546 A K T < 5 + 0 0 100 -3,-1.7 2,-0.9 1,-0.2 -3,-0.2 0.757 55.7 161.2 74.4 32.5 22.7 -31.6 9.7 544 547 A W > < - 0 0 24 -5,-2.5 3,-1.7 1,-0.2 4,-0.3 -0.751 24.2-164.1 -88.7 105.7 26.1 -32.8 11.0 545 548 A E T > S+ 0 0 104 -2,-0.9 3,-1.6 1,-0.3 -1,-0.2 0.803 84.5 67.9 -61.4 -29.8 26.2 -31.9 14.7 546 549 A D T 3> S+ 0 0 110 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.782 96.0 56.5 -57.6 -29.4 30.0 -32.5 14.8 547 550 A A H <> S+ 0 0 2 -3,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.590 83.4 87.4 -82.3 -10.0 30.4 -29.3 12.6 548 551 A I H <> S+ 0 0 8 -3,-1.6 4,-2.6 -4,-0.3 5,-0.2 0.945 91.2 41.9 -58.3 -53.4 28.5 -27.1 15.1 549 552 A P H > S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.875 114.7 53.6 -64.0 -31.9 31.5 -26.1 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140.8-133.6 17.7 34.2 -11.2 11.3 560 563 A R >> - 0 0 11 -300,-0.3 4,-2.8 1,-0.2 3,-1.9 -0.534 49.8-140.4 -65.6 122.3 34.3 -10.9 7.5 561 564 A M H 3> S+ 0 0 11 -298,-2.9 4,-1.8 -2,-0.4 -1,-0.2 0.813 96.3 68.3 -64.4 -30.0 30.6 -10.7 6.8 562 565 A K H 34 S+ 0 0 85 -299,-0.3 -1,-0.3 1,-0.2 -298,-0.1 0.799 118.9 22.9 -48.8 -35.8 30.8 -12.9 3.7 563 566 A F H <> S+ 0 0 0 -3,-1.9 4,-2.0 2,-0.1 -2,-0.2 0.824 122.3 52.7-101.4 -47.0 31.6 -15.8 6.2 564 567 A T H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.906 107.6 50.3 -64.6 -43.8 30.1 -14.6 9.5 565 568 A R H X S+ 0 0 53 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.960 114.3 40.7 -63.2 -52.1 26.6 -13.8 8.3 566 569 A P H > S+ 0 0 28 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.858 113.8 54.2 -69.9 -30.3 25.9 -17.1 6.4 567 570 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.963 112.3 43.8 -63.4 -49.7 27.5 -19.2 9.1 568 571 A F H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.903 114.9 50.2 -57.1 -42.7 25.3 -17.7 11.8 569 572 A K H X S+ 0 0 104 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.932 112.2 46.5 -65.0 -42.6 22.3 -17.9 9.5 570 573 A D H X S+ 0 0 18 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.912 112.8 49.9 -64.3 -43.0 23.0 -21.6 8.8 571 574 A L H < S+ 0 0 0 -4,-2.7 6,-0.3 1,-0.2 3,-0.3 0.869 110.7 50.3 -64.1 -36.3 23.5 -22.3 12.5 572 575 A A H < S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.842 108.5 52.7 -69.0 -32.0 20.3 -20.6 13.4 573 576 A A H < S+ 0 0 79 -4,-1.8 2,-0.7 -5,-0.2 -1,-0.2 0.696 92.5 83.1 -77.6 -20.2 18.4 -22.7 10.7 574 577 A F S >X S- 0 0 6 -4,-1.1 4,-1.6 -3,-0.3 3,-1.2 -0.777 74.8-147.5 -87.7 114.6 19.8 -26.0 12.2 575 578 A D H 3> S+ 0 0 100 -2,-0.7 4,-0.5 1,-0.3 3,-0.3 0.854 95.3 56.3 -49.6 -40.6 17.5 -26.9 15.1 576 579 A K H 34 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.785 119.4 29.4 -67.6 -29.3 20.4 -28.6 17.0 577 580 A S H <> S+ 0 0 0 -3,-1.2 4,-2.5 -6,-0.3 -1,-0.2 0.465 91.8 99.4-107.7 -5.3 22.5 -25.4 17.0 578 581 A H H X S+ 0 0 74 -4,-1.6 4,-2.1 -3,-0.3 5,-0.2 0.899 85.2 44.6 -51.2 -52.6 19.8 -22.7 16.9 579 582 A D H X S+ 0 0 105 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.911 115.0 48.5 -64.2 -41.4 19.9 -21.9 20.6 580 583 A Q H > S+ 0 0 65 2,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.859 108.2 55.2 -62.6 -38.7 23.7 -21.8 20.8 581 584 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -10,-0.2 -2,-0.2 0.944 111.6 43.6 -61.2 -46.8 23.9 -19.6 17.7 582 585 A V H X S+ 0 0 23 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.935 115.3 48.1 -64.3 -46.9 21.6 -17.0 19.3 583 586 A R H X S+ 0 0 121 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.883 111.2 51.4 -60.9 -37.8 23.4 -17.2 22.7 584 587 A T H X S+ 0 0 24 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.903 111.1 47.2 -68.3 -41.7 26.8 -16.9 20.9 585 588 A Y H X S+ 0 0 4 -4,-2.3 4,-2.4 -5,-0.2 3,-0.2 0.954 111.4 51.6 -62.4 -48.3 25.6 -13.8 19.1 586 589 A Q H < S+ 0 0 116 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.874 111.8 47.0 -55.0 -41.3 24.2 -12.3 22.3 587 590 A E H < S+ 0 0 147 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.817 120.5 36.5 -72.1 -33.0 27.5 -12.9 24.1 588 591 A H H >< S+ 0 0 65 -4,-1.8 3,-1.7 -3,-0.2 4,-0.4 0.649 89.9 93.9 -93.9 -18.6 29.7 -11.4 21.3 589 592 A K G >< S+ 0 0 109 -4,-2.4 3,-1.5 1,-0.3 -1,-0.1 0.829 81.4 54.8 -47.5 -46.3 27.4 -8.6 20.2 590 593 A A G 3 S+ 0 0 101 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.766 114.0 40.8 -62.5 -27.3 29.0 -5.9 22.4 591 594 A S G < S+ 0 0 57 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.216 95.8 101.7-107.6 12.8 32.5 -6.5 21.0 592 595 A M S < S- 0 0 34 -3,-1.5 -36,-0.0 -4,-0.4 -331,-0.0 -0.546 89.3 -85.3 -88.4 159.5 31.5 -7.0 17.3 593 596 A H > - 0 0 4 -332,-0.2 4,-3.0 -2,-0.2 5,-0.2 -0.405 45.3-120.3 -54.5 138.3 31.9 -4.4 14.6 594 597 A P H > S+ 0 0 40 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.856 110.2 44.4 -61.0 -36.0 28.7 -2.2 14.8 595 598 A V H > S+ 0 0 6 -485,-0.3 4,-2.6 2,-0.2 5,-0.2 0.912 115.0 49.1 -73.5 -40.9 27.5 -2.9 11.2 596 599 A T H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.924 110.9 50.5 -63.0 -42.3 28.2 -6.6 11.6 597 600 A A H X S+ 0 0 9 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.917 111.2 49.3 -62.4 -42.7 26.4 -6.7 14.9 598 601 A M H X S+ 0 0 59 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.943 114.9 42.8 -59.6 -48.2 23.4 -5.0 13.3 599 602 A L H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.877 113.6 49.1 -72.3 -41.8 23.2 -7.3 10.3 600 603 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.925 111.4 52.3 -61.6 -41.5 23.8 -10.6 12.2 601 604 A G H X>S+ 0 0 3 -4,-2.1 5,-2.5 -5,-0.3 4,-0.8 0.924 110.8 46.9 -58.2 -45.1 21.1 -9.4 14.6 602 605 A K H ><5S+ 0 0 123 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.907 111.7 51.0 -60.9 -44.1 18.7 -8.8 11.7 603 606 A D H 3<5S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.866 116.0 41.1 -61.1 -39.3 19.5 -12.2 10.2 604 607 A L H 3<5S- 0 0 16 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.510 107.3-124.3 -88.5 -6.9 18.9 -14.0 13.5 605 608 A K T <<5 0 0 187 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.857 360.0 360.0 58.4 39.1 15.7 -11.9 14.3 606 609 A V < 0 0 79 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.940 360.0 360.0-112.6 360.0 17.4 -11.0 17.6