==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-10 2XPZ . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.HELGSTRAND,M.HASAN,H.USYAL,J.Z.HAEGGSTROM,M.M.G.M.THUNNISS . 627 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 13.2 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 . 48 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 2 2 0 1 2 3 1 1 2 0 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 3 2 1 2 0 2 0 1 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 . 1 0 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 40 A M 0 0 194 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 9.7 -3.7 21.4 51.7 2 41 A L - 0 0 15 1,-0.0 5,-0.2 442,-0.0 3,-0.1 -0.949 360.0 -67.8-130.3 155.8 -1.5 18.8 50.1 3 42 A P >> - 0 0 34 0, 0.0 3,-1.6 0, 0.0 4,-0.9 0.016 53.3-102.2 -44.6 123.3 0.5 15.9 51.5 4 43 A L T 34 S+ 0 0 137 1,-0.3 0, 0.0 2,-0.2 0, 0.0 -0.593 101.3 35.5 -60.9 145.8 3.6 16.1 53.7 5 44 A S T 3> S+ 0 0 40 -2,-0.2 4,-0.8 -3,-0.1 -1,-0.3 -0.916 110.1 63.4-101.1 25.6 6.3 15.8 53.1 6 45 A I H X> S+ 0 0 4 -3,-1.6 3,-0.6 1,-0.2 4,-0.5 0.859 103.7 56.8 -65.1 -30.1 5.9 17.4 49.7 7 46 A E H >< S+ 0 0 68 -4,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.865 96.5 61.8 -66.7 -39.2 5.0 20.4 51.7 8 47 A Q H 34 S+ 0 0 149 1,-0.3 -1,-0.3 0, 0.0 -2,-0.2 0.816 105.8 47.9 -51.1 -34.4 8.3 20.2 53.5 9 48 A R H << S+ 0 0 114 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.597 82.6 123.0 -88.5 -13.2 9.9 20.8 50.1 10 49 A R << - 0 0 70 -3,-1.1 -3,-0.1 -4,-0.5 4,-0.0 -0.301 65.5-124.4 -52.7 116.9 7.7 23.7 49.3 11 50 A P - 0 0 29 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.040 19.4-117.9 -51.2 168.3 9.8 26.8 48.5 12 51 A S S S+ 0 0 132 1,-0.2 2,-0.4 0, 0.0 -2,-0.1 0.851 96.5 33.6 -80.3 -36.7 9.0 29.8 50.7 13 52 A R S S- 0 0 177 2,-0.0 4,-0.3 4,-0.0 -1,-0.2 -0.980 88.6-114.4-125.5 130.9 8.0 32.1 47.8 14 53 A S S S+ 0 0 41 -2,-0.4 2,-0.2 2,-0.1 409,-0.0 -0.923 98.4 47.6-112.6 140.2 6.2 31.0 44.6 15 54 A P S S- 0 0 31 0, 0.0 3,-0.1 0, 0.0 408,-0.1 0.447 107.0-115.5 -64.2 144.7 7.1 31.1 41.8 16 55 A E - 0 0 38 -2,-0.2 -2,-0.1 1,-0.1 299,-0.1 -0.148 38.0 -93.7 -53.6 144.5 10.3 29.4 43.2 17 56 A Y - 0 0 92 -4,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.323 33.5-124.0 -68.2 143.9 13.5 31.5 42.7 18 57 A D > - 0 0 2 1,-0.2 3,-0.9 -3,-0.1 -1,-0.1 -0.781 23.3-175.9 -92.8 110.8 15.6 31.0 39.6 19 58 A Q T 3 S+ 0 0 58 -2,-0.8 -1,-0.2 353,-0.3 354,-0.1 0.696 76.3 71.6 -78.0 -18.7 19.2 30.2 40.5 20 59 A S T 3 S+ 0 0 2 352,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.479 87.2 78.9 -78.9 -3.0 20.3 30.2 36.9 21 60 A T < - 0 0 6 -3,-0.9 75,-0.1 1,-0.1 137,-0.1 -0.881 53.0-170.8-110.2 138.1 19.9 33.9 36.7 22 61 A L + 0 0 10 -2,-0.4 -1,-0.1 73,-0.3 76,-0.1 0.527 66.9 98.2 -94.9 -12.7 22.4 36.5 38.0 23 62 A S S S- 0 0 1 132,-0.1 2,-0.3 1,-0.1 44,-0.2 -0.267 79.6-127.2 -67.5 160.0 19.8 39.2 37.2 24 63 A N >> + 0 0 14 42,-1.7 3,-2.7 1,-0.2 4,-0.5 -0.371 45.2 155.9-106.8 55.6 17.6 40.5 40.0 25 64 A Y T 34 + 0 0 11 1,-0.3 3,-0.3 -2,-0.3 -1,-0.2 0.643 63.6 70.0 -57.7 -19.7 14.3 40.0 38.2 26 65 A K T 34 S+ 0 0 81 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.675 99.3 50.3 -73.8 -15.9 12.4 39.9 41.5 27 66 A D T <4 S+ 0 0 48 -3,-2.7 30,-2.9 37,-0.1 2,-0.3 0.620 110.1 52.0 -94.5 -19.6 13.0 43.6 41.9 28 67 A F E < -A 56 0A 13 -4,-0.5 2,-0.5 -3,-0.3 28,-0.2 -0.851 63.3-145.3-120.9 155.9 11.8 44.7 38.5 29 68 A A E -A 55 0A 25 26,-1.8 26,-2.2 -2,-0.3 2,-0.8 -0.978 17.7-145.3-111.9 130.0 8.8 44.3 36.2 30 69 A V E +A 54 0A 22 -2,-0.5 24,-0.2 24,-0.2 134,-0.2 -0.875 20.8 176.8 -97.4 111.6 9.6 44.2 32.6 31 70 A L E - 0 0 84 22,-3.9 133,-0.4 -2,-0.8 2,-0.3 0.753 65.3 -12.6 -88.8 -24.3 6.7 45.9 30.8 32 71 A H E -A 53 0A 50 21,-0.7 21,-2.5 131,-0.1 2,-0.4 -0.882 57.1-149.8-176.5 140.5 8.0 45.6 27.3 33 72 A T E -Ab 52 165A 3 131,-1.8 133,-0.9 -2,-0.3 2,-0.4 -0.916 9.3-167.2-121.8 145.0 11.2 44.8 25.5 34 73 A D E -Ab 51 166A 41 17,-1.1 17,-2.5 -2,-0.4 2,-0.5 -0.997 4.3-160.0-136.1 128.8 12.5 46.1 22.1 35 74 A L E -Ab 50 167A 0 131,-2.2 133,-3.1 -2,-0.4 2,-0.6 -0.939 7.7-176.2-111.6 120.4 15.3 44.7 20.0 36 75 A N E +Ab 49 168A 74 13,-2.8 13,-1.6 -2,-0.5 2,-0.3 -0.842 27.8 168.3-114.2 94.0 17.0 46.9 17.4 37 76 A L E -Ab 48 169A 4 131,-2.4 133,-2.6 -2,-0.6 2,-0.4 -0.739 29.6-156.9-116.3 151.7 19.5 44.5 15.8 38 77 A S E -Ab 47 170A 38 9,-2.0 9,-1.7 -2,-0.3 2,-0.6 -0.985 15.9-143.0-130.8 120.0 21.7 44.4 12.7 39 78 A V E -A 46 0A 5 131,-4.0 2,-0.6 -2,-0.4 7,-0.2 -0.730 14.3-173.6 -86.7 117.6 22.9 41.1 11.2 40 79 A S E >> -A 45 0A 32 5,-2.2 5,-1.6 -2,-0.6 4,-0.8 -0.941 7.0-176.8-110.7 108.6 26.4 41.1 9.9 41 80 A F T 45S+ 0 0 33 -2,-0.6 -1,-0.1 1,-0.2 98,-0.1 0.719 84.5 56.3 -74.0 -21.4 27.1 37.7 8.1 42 81 A E T 45S+ 0 0 175 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.793 113.7 34.3 -82.3 -34.4 30.6 38.9 7.5 43 82 A K T 45S- 0 0 128 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.472 102.1-128.5 -96.0 -7.0 31.6 39.6 11.1 44 83 A S T <5 + 0 0 49 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.934 69.9 115.1 53.8 50.2 29.5 36.7 12.5 45 84 A A E < -A 40 0A 4 -5,-1.6 -5,-2.2 -7,-0.0 2,-0.5 -0.992 60.6-143.1-147.9 150.7 27.8 39.1 14.9 46 85 A I E -A 39 0A 1 -2,-0.3 72,-2.4 -7,-0.2 2,-0.3 -0.969 28.9-179.3-110.4 129.8 24.6 40.8 15.8 47 86 A S E +AC 38 117A 42 -9,-1.7 -9,-2.0 -2,-0.5 2,-0.3 -0.961 25.3 83.7-131.9 149.4 24.9 44.4 17.1 48 87 A G E -AC 37 116A 23 68,-2.4 68,-2.8 -2,-0.3 2,-0.3 -0.978 64.7 -64.1 161.7-148.3 22.3 46.9 18.2 49 88 A S E -AC 36 115A 17 -13,-1.6 -13,-2.8 -2,-0.3 2,-0.4 -0.972 23.4-147.3-138.2 148.7 20.4 48.0 21.3 50 89 A V E -AC 35 114A 0 64,-2.7 64,-2.6 -2,-0.3 2,-0.5 -0.977 13.1-162.6-115.8 136.9 17.8 46.6 23.6 51 90 A T E -AC 34 113A 22 -17,-2.5 -17,-1.1 -2,-0.4 2,-0.3 -0.961 7.1-170.4-122.9 113.1 15.2 48.9 25.2 52 91 A F E -AC 33 112A 4 60,-2.4 60,-2.2 -2,-0.5 2,-0.7 -0.750 19.8-145.0 -99.8 147.6 13.2 47.7 28.3 53 92 A Q E -AC 32 111A 71 -21,-2.5 -22,-3.9 -2,-0.3 -21,-0.7 -0.924 36.3-177.7-106.7 102.9 10.2 49.4 29.8 54 93 A L E -AC 30 110A 1 56,-2.2 56,-1.9 -2,-0.7 2,-0.4 -0.730 23.0-157.4-106.6 151.1 10.8 48.6 33.5 55 94 A K E -AC 29 109A 84 -26,-2.2 -26,-1.8 -2,-0.3 2,-0.3 -0.992 24.9-123.1-125.1 126.1 8.9 49.3 36.7 56 95 A K E -A 28 0A 39 52,-2.4 2,-0.4 -2,-0.4 -28,-0.2 -0.494 25.3-150.1 -66.9 128.5 10.6 49.3 40.1 57 96 A L - 0 0 73 -30,-2.9 2,-0.5 -2,-0.3 -1,-0.0 -0.835 10.2-167.8-102.4 135.4 9.0 46.8 42.5 58 97 A H 0 0 117 -2,-0.4 -31,-0.0 5,-0.0 5,-0.0 -0.971 360.0 360.0-124.8 116.6 9.1 47.4 46.2 59 98 A E 0 0 136 -2,-0.5 -2,-0.0 -32,-0.0 0, 0.0 -0.999 360.0 360.0-145.2 360.0 8.1 44.6 48.6 60 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 61 102 A K 0 0 229 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-116.8 15.1 45.6 50.8 62 103 A S - 0 0 111 1,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.330 360.0-161.8 -59.1 137.9 18.4 45.7 48.9 63 104 A D + 0 0 103 2,-0.0 2,-0.3 -5,-0.0 41,-0.1 -0.986 26.9 121.9-133.4 129.3 18.0 47.5 45.5 64 105 A E - 0 0 87 -2,-0.4 2,-0.7 -40,-0.1 38,-0.1 -0.958 56.3-100.5-163.2 174.4 20.0 47.6 42.3 65 106 A L E +H 101 0B 0 36,-0.8 36,-2.5 -2,-0.3 2,-0.5 -0.864 41.8 175.9-109.8 103.2 19.7 46.9 38.6 66 107 A H E +H 100 0B 37 -2,-0.7 -42,-1.7 34,-0.2 2,-0.3 -0.917 2.2 179.4-114.2 120.5 21.2 43.5 37.7 67 108 A L E -H 99 0B 0 32,-2.6 32,-3.3 -2,-0.5 2,-0.3 -0.814 26.4-115.6-116.5 155.9 21.1 42.0 34.2 68 109 A D E +HI 98 155B 0 87,-3.0 87,-1.5 -2,-0.3 2,-0.3 -0.718 38.0 160.3 -87.8 137.4 22.4 38.7 32.7 69 110 A T E -H 97 0B 1 28,-1.6 28,-1.1 -2,-0.3 2,-0.3 -0.963 20.0-163.8-144.1 160.4 25.0 38.7 30.0 70 111 A S S S- 0 0 8 80,-1.4 53,-0.2 -2,-0.3 49,-0.2 -0.942 77.9 -26.3-144.6 123.4 27.5 36.1 28.6 71 112 A Y S S+ 0 0 64 -2,-0.3 48,-0.6 1,-0.2 2,-0.4 0.890 98.5 146.0 34.1 61.9 30.5 37.1 26.5 72 113 A L E -D 118 0A 17 46,-0.1 2,-1.2 50,-0.1 46,-0.2 -0.993 51.9-131.6-129.0 135.4 28.5 40.1 25.3 73 114 A D E -D 117 0A 83 44,-2.9 44,-1.2 -2,-0.4 2,-0.7 -0.693 20.7-167.5 -88.7 90.4 30.0 43.6 24.5 74 115 A V E +D 116 0A 11 -2,-1.2 42,-0.3 42,-0.2 3,-0.1 -0.695 10.8 175.4 -76.3 114.2 27.8 46.1 26.4 75 116 A Q E - 0 0 83 40,-3.1 2,-0.3 -2,-0.7 41,-0.2 0.880 56.8 -6.7 -91.6 -44.9 28.9 49.4 24.8 76 117 A E E -D 115 0A 96 39,-1.1 39,-2.6 9,-0.0 2,-0.3 -0.997 51.2-155.4-153.0 150.2 26.5 51.9 26.4 77 118 A V E -D 114 0A 2 7,-0.4 7,-1.6 -2,-0.3 2,-0.3 -0.930 10.9-171.3-123.5 152.7 23.5 52.2 28.7 78 119 A H E -DE 113 83A 46 35,-1.5 35,-1.8 -2,-0.3 2,-0.6 -0.917 9.9-157.2-148.2 114.8 21.0 55.0 28.8 79 120 A I E > S-DE 112 82A 6 3,-2.6 3,-2.1 -2,-0.3 33,-0.2 -0.844 85.0 -18.2 -96.6 120.1 18.3 55.6 31.4 80 121 A D T 3 S- 0 0 73 31,-2.7 -1,-0.3 -2,-0.6 32,-0.1 0.918 131.0 -51.8 50.1 44.9 15.5 57.7 30.1 81 122 A G T 3 S+ 0 0 62 -3,-0.4 2,-0.5 30,-0.4 -1,-0.3 0.425 117.5 113.7 78.0 -1.8 17.9 59.0 27.4 82 123 A S E < S-E 79 0A 78 -3,-2.1 -3,-2.6 1,-0.1 -1,-0.2 -0.893 77.3-102.8-108.3 131.7 20.6 59.9 29.9 83 124 A K E -E 78 0A 159 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.3 -0.127 41.5-158.3 -44.5 138.5 23.9 58.1 30.0 84 125 A A - 0 0 6 -7,-1.6 2,-0.5 -3,-0.0 -7,-0.4 -0.967 18.0-110.9-130.1 146.8 23.9 55.7 33.0 85 126 A D + 0 0 105 -2,-0.3 17,-3.1 17,-0.3 2,-0.3 -0.633 43.9 167.9 -86.8 123.3 26.9 54.2 34.8 86 127 A F E -J 101 0B 62 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.943 18.0-172.6-134.6 156.2 27.5 50.5 34.4 87 128 A Q E -J 100 0B 132 13,-2.2 13,-2.2 -2,-0.3 2,-0.6 -0.993 20.2-133.0-144.4 148.9 30.1 47.8 35.1 88 129 A I E -J 99 0B 68 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.908 22.7-136.4-109.1 121.8 30.4 44.2 34.1 89 130 A E - 0 0 73 9,-2.2 2,-0.2 -2,-0.6 3,-0.1 -0.074 37.3 -80.3 -65.9 170.6 31.4 41.7 36.8 90 131 A Q - 0 0 181 1,-0.1 8,-0.3 7,-0.1 -1,-0.1 -0.504 59.1 -93.8 -74.9 143.1 33.9 38.9 36.2 91 132 A R - 0 0 66 -2,-0.2 2,-0.5 6,-0.1 6,-0.2 -0.287 38.1-162.8 -62.0 135.5 32.5 35.9 34.4 92 133 A K B >> -K 96 0C 97 4,-1.2 4,-2.7 -3,-0.1 3,-0.7 -0.970 30.2 -95.7-122.7 117.2 31.2 33.1 36.5 93 134 A E T 34 S+ 0 0 128 -2,-0.5 284,-0.0 1,-0.3 283,-0.0 -0.541 97.7 0.9 -71.5 136.4 30.7 29.6 35.0 94 135 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 281,-0.1 -0.963 129.1 51.8-105.7 14.7 28.2 28.8 34.0 95 136 A L T <4 S- 0 0 4 -3,-0.7 -73,-0.3 279,-0.3 -26,-0.2 0.611 90.8-143.8 -90.0 -10.7 25.9 31.7 34.6 96 137 A G B < -K 92 0C 0 -4,-2.7 -4,-1.2 -28,-0.1 2,-0.4 -0.412 38.5 -23.3 91.3-163.7 28.1 34.3 32.9 97 138 A S E -H 69 0B 16 -28,-1.1 -28,-1.6 -6,-0.2 2,-0.5 -0.749 56.1-133.8 -89.8 132.1 28.8 38.0 33.6 98 139 A R E -H 68 0B 53 -2,-0.4 -9,-2.2 -8,-0.3 2,-0.9 -0.768 14.3-143.0 -86.5 124.6 26.4 40.1 35.7 99 140 A L E -HJ 67 88B 0 -32,-3.3 -32,-2.6 -2,-0.5 2,-0.5 -0.786 17.0-162.9 -90.5 105.2 25.7 43.5 34.1 100 141 A V E -HJ 66 87B 6 -13,-2.2 -13,-2.2 -2,-0.9 2,-0.4 -0.803 7.9-174.0 -96.3 124.7 25.3 46.0 36.9 101 142 A I E -HJ 65 86B 0 -36,-2.5 -36,-0.8 -2,-0.5 2,-0.7 -0.966 28.3-119.7-123.8 128.7 23.7 49.2 36.0 102 143 A N + 0 0 62 -17,-3.1 -17,-0.3 -2,-0.4 3,-0.2 -0.560 39.0 163.3 -72.1 109.3 23.2 52.3 38.2 103 144 A N > + 0 0 12 -2,-0.7 3,-1.2 1,-0.2 -1,-0.2 0.403 42.8 105.0-106.9 -6.3 19.5 52.9 38.5 104 145 A A T 3 S+ 0 0 78 1,-0.2 -1,-0.2 -41,-0.1 -2,-0.0 0.826 73.6 60.4 -48.4 -38.4 19.6 55.2 41.5 105 146 A S T 3 S+ 0 0 93 -3,-0.2 -1,-0.2 2,-0.0 -2,-0.1 0.768 92.9 69.7 -68.0 -33.1 18.9 58.3 39.4 106 147 A C S < S- 0 0 23 -3,-1.2 4,-0.1 1,-0.1 2,-0.1 -0.096 76.8-106.6 -87.6 178.5 15.5 57.5 37.8 107 148 A N - 0 0 96 2,-0.3 -1,-0.1 1,-0.0 -51,-0.1 -0.109 51.8 -76.4 -87.1-168.3 11.9 57.2 39.0 108 149 A D S S+ 0 0 74 1,-0.2 -52,-2.4 -53,-0.1 2,-0.6 0.959 120.9 43.4 -60.2 -54.5 9.8 54.0 39.5 109 150 A N E S+C 55 0A 75 -54,-0.2 2,-0.3 -53,-0.0 -2,-0.3 -0.842 79.8 168.8 -96.6 120.2 9.0 53.4 35.8 110 151 A F E -C 54 0A 3 -56,-1.9 -56,-2.2 -2,-0.6 2,-0.6 -0.870 37.3-122.5-132.0 161.0 12.1 53.9 33.5 111 152 A T E -C 53 0A 48 -2,-0.3 -31,-2.7 -58,-0.2 2,-0.6 -0.910 29.1-162.8-102.9 113.8 13.3 53.3 29.9 112 153 A L E -CD 52 79A 0 -60,-2.2 -60,-2.4 -2,-0.6 2,-0.5 -0.850 8.2-176.9-102.4 121.8 16.4 51.2 29.8 113 154 A N E +CD 51 78A 26 -35,-1.8 -35,-1.5 -2,-0.6 2,-0.4 -0.939 2.7 178.0-123.3 113.4 18.5 51.2 26.7 114 155 A I E -CD 50 77A 0 -64,-2.6 -64,-2.7 -2,-0.5 2,-0.4 -0.884 12.6-156.9-106.6 140.5 21.6 49.0 26.4 115 156 A Q E +CD 49 76A 58 -39,-2.6 -40,-3.1 -2,-0.4 -39,-1.1 -0.963 26.6 157.1-116.5 141.2 23.7 48.8 23.2 116 157 A F E -CD 48 74A 0 -68,-2.8 -68,-2.4 -2,-0.4 2,-0.4 -0.920 34.8-137.7-153.6 165.1 25.8 45.8 22.6 117 158 A R E -CD 47 73A 74 -44,-1.2 -44,-2.9 -2,-0.3 -70,-0.2 -0.988 29.9-119.1-128.5 141.3 27.6 43.5 20.2 118 159 A T E - D 0 72A 3 -72,-2.4 2,-0.2 -2,-0.4 -46,-0.1 -0.311 38.3-125.7 -65.7 165.2 27.6 39.8 20.3 119 160 A T > - 0 0 45 -48,-0.6 3,-0.9 32,-0.3 -1,-0.1 -0.577 19.6-108.8-111.4 172.0 31.0 38.3 20.7 120 161 A D T 3 S+ 0 0 155 1,-0.2 -1,-0.1 -2,-0.2 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-4,-1.8 20,-0.1 -5,-0.2 -2,-0.1 0.498 102.0 70.2 -86.3 -7.1 19.5 14.5 37.2 366 408 A S T 3 S+ 0 0 0 -5,-0.3 -1,-0.2 -4,-0.2 2,-0.2 0.462 75.7 105.4 -90.8 -6.3 17.1 11.6 36.7 367 409 A T S < S- 0 0 16 -3,-0.7 86,-0.1 88,-0.1 85,-0.1 -0.519 75.6-130.7 -75.1 141.2 14.7 13.1 39.3 368 410 A L S S+ 0 0 6 83,-0.5 2,-0.7 86,-0.5 -50,-0.3 0.984 97.4 47.3 -61.9 -61.2 11.6 14.8 37.9 369 411 A V S S- 0 0 6 83,-3.0 -53,-0.2 82,-0.1 -1,-0.1 -0.738 89.5-148.0 -79.9 116.5 11.9 18.1 39.8 370 412 A Q - 0 0 14 -55,-1.5 -55,-0.1 -2,-0.7 -5,-0.1 -0.181 10.1-149.0 -78.4 177.0 15.4 19.2 39.5 371 413 A N + 0 0 99 -57,-0.1 2,-0.6 -7,-0.1 -56,-0.1 -0.519 25.0 165.9-148.9 69.4 17.5 21.2 42.0 372 414 A L - 0 0 1 3,-0.1 -353,-0.3 2,-0.0 -352,-0.1 -0.798 14.3-168.1 -84.2 125.9 20.0 23.4 40.2 373 415 A N - 0 0 79 -2,-0.6 3,-0.3 -354,-0.1 -354,-0.1 -0.116 54.2 -69.3 -83.3-162.3 21.5 26.0 42.5 374 416 A D S S+ 0 0 98 1,-0.2 -279,-0.3 -2,-0.1 -2,-0.0 0.351 130.9 56.9 -69.4 6.2 23.6 28.9 41.0 375 417 A N S S+ 0 0 98 -281,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.776 81.4 82.9-110.9 -38.8 26.3 26.3 40.1 376 418 A T S S- 0 0 12 -3,-0.3 5,-0.0 1,-0.1 -4,-0.0 -0.577 82.4-117.3 -78.1 127.2 24.8 23.6 37.8 377 419 A D > - 0 0 56 -2,-0.4 3,-2.0 1,-0.2 4,-0.4 -0.486 22.7-128.7 -59.4 128.5 24.6 24.4 34.1 378 420 A P G > S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.677 101.7 77.3 -56.5 -16.7 20.9 24.4 33.4 379 421 A D G > S+ 0 0 70 1,-0.3 3,-1.6 2,-0.2 -2,-0.0 0.749 80.8 65.5 -66.1 -26.8 21.7 22.0 30.5 380 422 A D G < S+ 0 0 72 -3,-2.0 -1,-0.3 1,-0.3 -3,-0.0 0.748 93.6 62.7 -66.4 -23.1 22.1 19.0 32.8 381 423 A A G < S+ 0 0 4 -3,-1.1 2,-0.9 -4,-0.4 -1,-0.3 0.542 85.7 87.9 -75.4 -10.4 18.4 19.4 33.6 382 424 A F < + 0 0 54 -3,-1.6 2,-0.2 -4,-0.1 -1,-0.1 -0.808 56.1 111.3 -98.8 100.8 17.7 18.6 29.9 383 425 A S S > S- 0 0 24 -2,-0.9 4,-0.6 -18,-0.1 -31,-0.1 -0.786 84.9 -78.0-145.0-168.2 17.3 14.9 29.4 384 426 A T H > S+ 0 0 36 -2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.691 111.3 83.7 -74.9 -14.5 14.4 12.6 28.5 385 427 A V H >>S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-1.3 0.941 87.1 48.1 -53.2 -59.2 13.2 12.7 32.1 386 428 A P H 45S+ 0 0 9 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.898 118.2 43.4 -51.1 -45.4 11.2 16.0 31.9 387 429 A Y H X5S+ 0 0 61 -4,-0.6 4,-1.4 3,-0.2 -2,-0.2 0.969 127.0 23.8 -61.7 -57.2 9.5 14.8 28.7 388 430 A E H X5S+ 0 0 11 -4,-2.8 4,-3.1 2,-0.2 -3,-0.2 0.906 125.6 43.1 -89.1 -46.3 8.7 11.2 29.5 389 431 A K H X5S+ 0 0 1 -4,-1.8 4,-1.7 -5,-0.5 -1,-0.2 0.818 118.6 50.4 -68.9 -31.4 8.5 10.9 33.3 390 432 A G H >S+ 0 0 9 -4,-1.3 5,-2.3 2,-0.2 -1,-0.2 0.920 109.4 47.5 -66.1 -46.4 -5.5 11.4 33.7 399 441 A T H ><5S+ 0 0 80 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.958 112.8 46.2 -63.4 -54.5 -6.2 7.7 34.3 400 442 A I H 3<5S+ 0 0 32 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.749 105.9 60.0 -63.6 -26.9 -7.0 7.9 38.0 401 443 A L T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.424 130.2 -87.4 -84.7 3.5 -9.3 10.9 37.6 402 444 A G T < 5S- 0 0 57 -3,-1.6 3,-0.3 -4,-0.2 -3,-0.2 0.694 72.6 -80.6 99.4 21.5 -11.6 9.0 35.2 403 445 A G S >> S+ 0 0 87 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.851 129.6 52.6 -61.4 -42.3 -9.7 12.3 29.3 405 447 A A H 34 S+ 0 0 83 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.732 115.9 42.1 -68.8 -20.2 -13.2 13.7 29.8 406 448 A E H <4 S+ 0 0 82 -3,-0.9 4,-0.3 -4,-0.2 -2,-0.2 0.770 122.3 38.1 -93.8 -29.5 -12.5 14.1 33.5 407 449 A F H >X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 3,-0.6 0.716 100.9 73.9 -92.5 -27.2 -9.0 15.5 33.1 408 450 A D H 3X S+ 0 0 19 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.1 0.850 93.3 54.6 -57.0 -38.5 -9.6 17.6 30.1 409 451 A P H 3> S+ 0 0 49 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.835 106.6 52.4 -64.7 -31.7 -11.5 20.1 32.2 410 452 A F H <> S+ 0 0 0 -3,-0.6 4,-2.3 -4,-0.3 -2,-0.2 0.788 104.8 55.9 -70.1 -31.0 -8.4 20.4 34.4 411 453 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.893 108.9 46.3 -68.2 -39.7 -6.2 21.0 31.4 412 454 A R H X S+ 0 0 81 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.833 114.0 47.5 -72.6 -33.8 -8.4 24.0 30.4 413 455 A H H X S+ 0 0 68 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.929 112.7 49.8 -69.8 -47.1 -8.5 25.5 33.9 414 456 A Y H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.953 116.7 38.4 -55.9 -56.4 -4.7 25.1 34.4 415 457 A F H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.795 118.9 49.3 -70.6 -28.1 -3.7 26.7 31.1 416 458 A K H < S+ 0 0 148 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.840 111.9 50.2 -75.1 -33.0 -6.4 29.3 31.4 417 459 A K H < S+ 0 0 77 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.805 120.3 32.6 -74.4 -33.1 -5.3 30.0 35.0 418 460 A F S >< S+ 0 0 15 -4,-1.9 3,-2.6 -5,-0.2 -108,-0.3 0.282 81.5 147.0-110.3 10.4 -1.6 30.5 34.3 419 461 A A T 3 S+ 0 0 22 -4,-0.4 -110,-0.2 1,-0.3 3,-0.1 -0.227 78.6 4.6 -47.2 120.5 -1.9 32.0 30.8 420 462 A K T 3 S+ 0 0 100 -112,-2.0 -1,-0.3 1,-0.3 2,-0.2 0.611 119.2 91.9 78.7 13.3 0.9 34.4 30.3 421 463 A K < - 0 0 128 -3,-2.6 -111,-2.3 -113,-0.5 2,-0.3 -0.737 68.6-121.3-127.5 175.9 2.6 33.6 33.6 422 464 A S E +t 310 0G 12 -2,-0.2 2,-0.3 -262,-0.2 -111,-0.2 -0.844 28.0 178.0-116.1 159.0 5.2 31.2 35.1 423 465 A L E -t 311 0G 0 -113,-2.3 -111,-2.3 -2,-0.3 -110,-0.4 -0.972 19.2-130.2-152.8 166.3 4.8 28.6 37.8 424 466 A D > - 0 0 1 -2,-0.3 4,-1.5 -113,-0.2 3,-0.2 -0.611 41.2 -92.1-110.0 175.4 6.6 25.9 39.7 425 467 A T H >> S+ 0 0 0 1,-0.2 4,-2.0 -2,-0.2 3,-0.8 0.939 124.9 51.0 -47.6 -55.4 5.8 22.2 40.5 426 468 A F H 3> S+ 0 0 3 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.841 106.6 54.1 -58.3 -36.4 4.1 23.2 43.8 427 469 A Q H 3> S+ 0 0 39 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.815 107.9 51.7 -67.7 -30.3 1.9 25.8 42.1 428 470 A F H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 3,-0.6 0.974 115.7 39.5 -67.6 -59.2 -4.7 20.2 40.8 433 475 A Y H 3< S+ 0 0 17 -4,-3.5 3,-0.5 1,-0.2 -2,-0.2 0.861 115.2 55.0 -57.9 -37.5 -5.9 19.6 44.3 434 476 A E H 3< S+ 0 0 135 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.779 104.0 54.2 -68.4 -27.5 -8.0 22.8 44.1 435 477 A F H << S+ 0 0 62 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.664 107.5 50.4 -86.2 -18.0 -9.8 21.7 41.0 436 478 A Y < + 0 0 13 -4,-0.9 -1,-0.2 -3,-0.5 7,-0.1 -0.801 52.5 156.0-122.3 91.0 -11.1 18.4 42.4 437 479 A P S > S+ 0 0 101 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.938 86.6 40.9 -72.8 -47.3 -12.8 18.7 45.8 438 480 A E T > S+ 0 0 185 1,-0.2 3,-0.7 -3,-0.2 -2,-0.1 0.922 113.3 53.4 -63.2 -47.2 -14.7 15.5 45.2 439 481 A K T 3> S+ 0 0 53 1,-0.2 4,-2.0 2,-0.1 3,-0.3 0.310 76.6 112.2 -74.3 12.4 -11.8 13.7 43.7 440 482 A K H <> + 0 0 82 -3,-1.1 4,-1.0 1,-0.2 -1,-0.2 0.746 66.8 59.5 -59.9 -25.2 -9.6 14.6 46.7 441 483 A E H <4 S+ 0 0 162 -3,-0.7 4,-0.2 2,-0.2 -1,-0.2 0.906 113.6 31.3 -79.2 -45.8 -9.3 11.0 48.0 442 484 A I H >4 S+ 0 0 61 -3,-0.3 3,-1.0 2,-0.2 4,-0.5 0.788 112.3 64.1 -77.5 -31.9 -7.7 9.3 45.0 443 485 A L H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.3 -2,-0.2 0.873 103.1 51.8 -53.2 -37.3 -5.8 12.5 44.1 444 486 A D T 3< S+ 0 0 59 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.713 93.1 72.9 -73.1 -21.3 -4.2 11.9 47.4 445 487 A S T < S+ 0 0 82 -3,-1.0 -1,-0.2 -4,-0.2 2,-0.2 0.624 73.0 108.7 -70.9 -11.8 -3.3 8.3 46.4 446 488 A V S < S- 0 0 7 -3,-0.9 2,-1.9 -4,-0.5 3,-0.2 -0.467 73.0-133.9 -66.5 129.8 -0.6 9.6 44.1 447 489 A D >> + 0 0 78 1,-0.2 4,-2.1 -2,-0.2 3,-1.4 -0.470 33.2 171.4 -83.8 66.9 3.0 9.0 45.3 448 490 A W H 3>>S+ 0 0 7 -2,-1.9 4,-3.6 1,-0.3 5,-0.6 0.854 70.1 63.5 -43.6 -41.4 4.2 12.5 44.6 449 491 A E H 3>5S+ 0 0 54 1,-0.2 4,-1.1 -3,-0.2 5,-0.5 0.833 108.8 36.9 -58.7 -37.7 7.5 11.7 46.4 450 492 A T H <>5S+ 0 0 46 -3,-1.4 4,-0.7 3,-0.2 -82,-0.2 0.865 122.0 45.5 -82.7 -36.2 8.6 9.0 44.0 451 493 A W H <5S+ 0 0 5 -4,-2.1 -83,-0.5 1,-0.1 -2,-0.2 0.973 125.7 28.7 -67.3 -53.5 7.2 10.8 40.9 452 494 A L H <5S+ 0 0 0 -4,-3.6 -83,-3.0 -5,-0.2 -3,-0.2 0.834 135.4 20.3 -78.6 -37.1 8.5 14.2 41.7 453 495 A Y H <> + 0 0 62 -2,-0.3 4,-2.8 1,-0.1 3,-1.2 0.388 49.6 115.7 -99.2 4.6 0.5 -2.4 23.3 466 508 A A H 3> S+ 0 0 40 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.857 77.6 41.6 -38.9 -67.4 -1.3 -3.3 20.0 467 509 A L H 3> S+ 0 0 30 1,-0.2 4,-0.7 -128,-0.2 -1,-0.3 0.725 118.5 47.6 -58.5 -25.6 0.8 -1.4 17.5 468 510 A A H <> S+ 0 0 0 -3,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.796 105.0 58.7 -88.0 -30.7 4.0 -2.5 19.3 469 511 A D H X S+ 0 0 57 -4,-2.8 4,-3.7 -3,-0.3 5,-0.2 0.956 104.4 52.0 -60.4 -47.8 3.0 -6.1 19.5 470 512 A N H X S+ 0 0 69 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.830 111.0 47.4 -56.4 -36.3 2.7 -6.2 15.7 471 513 A V H X S+ 0 0 0 -4,-0.7 4,-2.6 -5,-0.2 -1,-0.2 0.950 116.1 43.1 -70.5 -48.8 6.2 -4.8 15.4 472 514 A Y H X S+ 0 0 35 -4,-2.7 4,-3.5 2,-0.2 48,-0.4 0.914 115.7 49.3 -64.5 -43.4 7.6 -7.2 17.9 473 515 A Q H X S+ 0 0 116 -4,-3.7 4,-2.6 -5,-0.2 -2,-0.2 0.973 115.7 41.5 -57.7 -58.1 5.7 -10.2 16.5 474 516 A L H X S+ 0 0 17 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.863 117.8 49.6 -56.8 -39.8 6.7 -9.5 12.9 475 517 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 3,-0.3 0.928 111.2 46.9 -67.8 -47.4 10.2 -8.7 14.1 476 518 A D H X S+ 0 0 39 -4,-3.5 4,-2.5 1,-0.2 3,-0.2 0.913 107.1 59.7 -58.6 -42.9 10.5 -11.9 16.2 477 519 A K H X S+ 0 0 73 -4,-2.6 4,-3.1 -5,-0.2 -1,-0.2 0.844 101.9 52.8 -55.5 -39.8 9.2 -13.9 13.2 478 520 A W H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.903 109.2 48.8 -64.5 -41.8 12.0 -12.8 11.0 479 521 A V H X S+ 0 0 2 -4,-1.4 4,-0.7 -3,-0.2 -2,-0.2 0.932 115.0 44.2 -63.9 -48.2 14.6 -13.9 13.6 480 522 A E H >X S+ 0 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