==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-12 4BB0 . COMPND 2 MOLECULE: PROBABLE EPOXIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR J.W.SCHMIDBERGER,R.SCHNELL,G.SCHNEIDER . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.4 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 . 1 0.3 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 4 0 0 0 0 1 3 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 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 4 A D 0 0 191 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.1 12.2 59.0 14.4 2 5 A P - 0 0 95 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.268 360.0-127.9 -71.7 142.2 14.3 57.6 17.3 3 6 A L S S- 0 0 47 1,-0.2 42,-0.1 45,-0.0 41,-0.1 -0.808 87.5 -10.8 -88.5 122.1 15.3 53.9 17.6 4 7 A L S > S- 0 0 7 -2,-0.6 3,-1.7 40,-0.4 -1,-0.2 0.940 79.9-155.6 58.3 56.3 14.3 52.5 21.0 5 8 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.406 76.6 8.9 -62.1 130.5 13.4 55.7 22.8 6 9 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 18,-0.0 19,-0.2 0.447 89.1 139.4 80.0 8.3 13.8 55.2 26.6 7 10 A F < - 0 0 17 -3,-1.7 2,-0.5 17,-0.1 -1,-0.2 -0.701 48.8-135.4 -83.1 134.5 15.5 51.8 26.5 8 11 A D E -A 23 0A 99 15,-2.3 15,-1.7 -2,-0.4 2,-0.5 -0.821 14.7-138.8 -94.7 120.4 18.3 51.4 29.0 9 12 A Y E +A 22 0A 91 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.696 29.7 176.8 -86.8 122.4 21.4 49.7 27.5 10 13 A L E -A 21 0A 44 11,-3.3 11,-2.3 -2,-0.5 2,-0.4 -0.849 28.4-146.6-125.1 156.1 23.1 47.2 29.8 11 14 A T E -A 20 0A 58 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.998 21.7-162.5-115.9 127.4 25.9 44.8 29.8 12 15 A L E -A 19 0A 16 7,-2.8 7,-3.1 -2,-0.4 2,-0.6 -0.928 9.1-145.0-113.9 141.1 25.4 41.6 31.9 13 16 A H E +A 18 0A 123 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.907 24.4 172.3-105.3 112.4 28.1 39.2 33.1 14 17 A T - 0 0 13 3,-2.8 3,-0.1 -2,-0.6 70,-0.1 -0.570 50.0 -91.7-106.3 179.9 27.2 35.6 33.1 15 18 A S S S+ 0 0 93 1,-0.2 3,-0.0 -2,-0.2 69,-0.0 0.867 123.6 19.6 -59.3 -41.5 29.3 32.6 33.8 16 19 A A S S+ 0 0 39 64,-0.1 54,-2.1 54,-0.1 55,-0.4 0.378 123.1 35.0-113.3 6.2 30.1 32.1 30.1 17 20 A A E - B 0 69A 1 52,-0.3 -3,-2.8 53,-0.1 2,-0.5 -0.983 55.3-132.2-159.4 160.5 29.4 35.4 28.5 18 21 A R E -AB 13 68A 90 50,-3.1 50,-2.7 -2,-0.3 2,-0.4 -0.976 41.9-165.7-115.6 110.7 29.2 39.2 28.3 19 22 A L E -A 12 0A 2 -7,-3.1 -7,-2.8 -2,-0.5 2,-0.5 -0.831 19.4-141.8-113.9 132.6 25.8 40.1 27.0 20 23 A R E +A 11 0A 38 -2,-0.4 40,-2.5 40,-0.2 2,-0.3 -0.752 30.6 171.0 -87.7 124.7 24.3 43.3 25.6 21 24 A V E -AC 10 59A 0 -11,-2.3 -11,-3.3 -2,-0.5 2,-0.4 -0.963 20.8-158.5-128.7 153.6 20.7 43.8 26.7 22 25 A A E -AC 9 58A 0 36,-2.5 36,-2.9 -2,-0.3 2,-0.3 -0.991 18.4-171.6-132.2 136.8 18.3 46.8 26.3 23 26 A V E +AC 8 57A 32 -15,-1.7 -15,-2.3 -2,-0.4 2,-0.3 -0.958 14.2 155.2-133.7 148.3 15.3 47.1 28.7 24 27 A K E + C 0 56A 77 32,-2.1 32,-3.4 -2,-0.3 -17,-0.1 -0.961 35.6 34.3-166.0 149.4 12.1 49.2 29.1 25 28 A G E - C 0 55A 44 -2,-0.3 2,-0.3 30,-0.2 30,-0.3 -0.316 58.7 -98.1 108.0-171.3 8.7 49.0 30.6 26 29 A S + 0 0 99 28,-0.7 -2,-0.0 25,-0.5 0, 0.0 -0.976 68.6 41.5-154.5 143.7 6.7 47.6 33.5 27 30 A G S S+ 0 0 37 -2,-0.3 27,-0.2 27,-0.2 28,-0.1 -0.684 97.1 8.0 111.3-162.5 4.4 44.5 34.0 28 31 A P S S- 0 0 51 0, 0.0 27,-2.0 0, 0.0 2,-0.3 -0.204 83.8-109.8 -57.3 142.2 4.7 40.9 32.8 29 32 A P E -d 55 0A 19 0, 0.0 69,-2.9 0, 0.0 2,-0.4 -0.562 31.6-174.9 -86.2 137.9 8.1 40.2 31.2 30 33 A L E -de 56 98A 0 25,-3.0 27,-2.4 -2,-0.3 2,-0.5 -0.992 10.3-156.4-124.2 128.0 8.7 39.5 27.5 31 34 A L E -de 57 99A 0 67,-2.5 69,-2.8 -2,-0.4 2,-0.5 -0.947 10.0-161.2-103.3 125.4 12.1 38.5 26.1 32 35 A L E -de 58 100A 0 25,-2.8 27,-1.4 -2,-0.5 2,-0.5 -0.919 4.2-166.1-115.5 123.5 12.6 39.3 22.4 33 36 A L E -de 59 101A 0 67,-2.1 69,-2.7 -2,-0.5 72,-0.2 -0.950 7.4-149.5-121.8 114.9 15.4 37.5 20.5 34 37 A H - 0 0 0 25,-0.7 71,-0.5 -2,-0.5 2,-0.2 -0.070 12.2-137.7 -73.3 178.9 16.6 38.6 17.0 35 38 A G > - 0 0 0 4,-0.2 3,-1.8 69,-0.2 68,-0.1 -0.449 39.0 -16.0-123.4-164.3 17.9 36.5 14.2 36 39 A Y T 3 S+ 0 0 1 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.626 115.9 3.1 -88.4 144.3 20.7 36.4 11.6 37 40 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 160,-0.2 -0.423 118.4 72.3 -97.1 56.7 22.5 38.5 10.4 38 41 A Q < - 0 0 1 -3,-1.8 27,-0.3 158,-0.1 2,-0.2 -0.182 60.0-129.5-117.3-162.9 21.1 41.2 12.8 39 42 A T > - 0 0 0 25,-0.1 3,-2.4 -3,-0.1 -4,-0.2 -0.817 50.2 -71.0-142.3-176.0 20.9 42.4 16.3 40 43 A H G > S+ 0 0 3 1,-0.3 3,-1.8 -2,-0.2 20,-0.1 0.725 118.2 75.3 -57.1 -21.4 18.4 43.5 18.9 41 44 A L G > S+ 0 0 14 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.687 72.1 83.2 -65.4 -14.4 17.7 46.7 16.8 42 45 A A G < S+ 0 0 1 -3,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.775 87.5 57.2 -60.3 -25.6 15.7 44.4 14.5 43 46 A W G X> S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.2 3,-2.2 0.349 70.2 113.7 -84.9 11.8 12.9 44.9 17.1 44 47 A H T <4 S+ 0 0 19 -3,-2.3 -40,-0.4 1,-0.3 -1,-0.2 0.725 77.6 46.9 -61.6 -23.4 12.9 48.8 16.9 45 48 A R T 34 S+ 0 0 87 -3,-0.4 -1,-0.3 228,-0.2 -2,-0.1 0.470 123.1 32.2 -92.9 -3.8 9.4 48.9 15.3 46 49 A I T <> S+ 0 0 0 -3,-2.2 4,-1.7 2,-0.1 3,-0.3 0.741 104.0 65.5-118.0 -43.6 7.8 46.5 17.8 47 50 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.810 96.1 55.4 -63.7 -40.6 9.5 46.8 21.2 48 51 A P H > S+ 0 0 31 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.948 108.5 48.6 -60.3 -42.1 8.4 50.3 22.1 49 52 A R H >4 S+ 0 0 83 -3,-0.3 3,-1.1 1,-0.2 4,-0.3 0.909 112.2 50.3 -62.9 -38.0 4.7 49.5 21.6 50 53 A L H >X S+ 0 0 0 -4,-1.7 3,-2.1 1,-0.3 4,-1.7 0.897 100.5 62.4 -67.9 -37.5 5.1 46.4 23.8 51 54 A A H 3< S+ 0 0 11 -4,-2.5 -25,-0.5 1,-0.3 -1,-0.3 0.620 87.9 73.4 -64.8 -13.8 6.9 48.4 26.5 52 55 A E T << S+ 0 0 137 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.743 118.8 13.9 -66.0 -23.2 3.6 50.4 27.0 53 56 A D T <4 S+ 0 0 81 -3,-2.1 2,-0.3 -4,-0.3 -2,-0.2 0.520 126.6 41.9-128.9 -8.2 2.1 47.3 28.6 54 57 A Y S < S- 0 0 26 -4,-1.7 -28,-0.7 -27,-0.2 2,-0.7 -0.873 81.9 -98.9-139.5 157.6 4.9 44.9 29.4 55 58 A S E -Cd 25 29A 17 -27,-2.0 -25,-3.0 -30,-0.3 2,-0.5 -0.793 48.1-155.5 -70.7 117.5 8.4 44.6 30.8 56 59 A V E -Cd 24 30A 1 -32,-3.4 -32,-2.1 -2,-0.7 2,-0.5 -0.880 17.0-177.3-113.3 122.2 10.5 44.4 27.6 57 60 A V E -Cd 23 31A 3 -27,-2.4 -25,-2.8 -2,-0.5 2,-0.4 -0.976 1.8-174.4-116.7 122.2 13.9 42.8 27.4 58 61 A L E -Cd 22 32A 0 -36,-2.9 -36,-2.5 -2,-0.5 2,-0.4 -0.920 10.7-175.9-111.6 128.5 15.9 42.8 24.1 59 62 A A E -Cd 21 33A 1 -27,-1.4 -25,-0.7 -2,-0.4 2,-0.5 -0.961 29.5-127.5-124.4 153.4 19.2 40.9 23.9 60 63 A D - 0 0 2 -40,-2.5 -40,-0.2 -2,-0.4 3,-0.1 -0.841 41.8-116.2 -85.6 130.2 22.0 40.4 21.4 61 64 A L > - 0 0 0 -2,-0.5 3,-2.4 1,-0.2 6,-0.3 -0.331 48.4 -76.6 -60.0 147.6 22.5 36.5 21.0 62 65 A R T 3 S+ 0 0 13 1,-0.3 6,-0.2 6,-0.1 -1,-0.2 -0.243 122.0 12.7 -53.9 123.0 25.9 35.3 22.2 63 66 A G T 3 S+ 0 0 6 4,-0.4 142,-0.3 1,-0.3 -1,-0.3 0.105 109.5 97.5 98.8 -24.4 28.4 36.1 19.5 64 67 A Y S X S- 0 0 1 -3,-2.4 3,-2.1 141,-0.1 -1,-0.3 -0.646 90.3 -17.4 -94.9 157.9 26.1 38.5 17.6 65 68 A G T 3 S- 0 0 14 -27,-0.3 -26,-0.1 1,-0.3 137,-0.1 -0.330 130.6 -23.0 57.4-121.5 26.0 42.3 17.8 66 69 A E T 3 S+ 0 0 91 -46,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.326 111.5 104.0-105.1 3.0 27.8 43.3 21.1 67 70 A S < + 0 0 3 -3,-2.1 -4,-0.4 -6,-0.3 2,-0.4 -0.628 48.2 177.9 -86.4 143.6 27.4 40.1 23.0 68 71 A R E -B 18 0A 112 -50,-2.7 -50,-3.1 -2,-0.3 2,-0.2 -0.997 30.8-116.5-151.2 147.8 30.4 37.8 23.3 69 72 A A E -B 17 0A 9 -2,-0.4 -52,-0.3 -52,-0.2 5,-0.0 -0.501 26.2-129.8 -75.6 150.6 31.5 34.6 24.8 70 73 A L 0 0 93 -54,-2.1 -53,-0.1 1,-0.2 -1,-0.1 0.938 360.0 360.0 -69.5 -44.7 34.3 34.8 27.4 71 74 A D 0 0 123 -55,-0.4 3,-0.8 4,-0.1 -1,-0.2 -0.511 360.0 360.0 -68.4 360.0 36.3 32.1 25.6 72 ! 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 73 77 A G 0 0 93 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 2.6 36.5 27.5 22.0 74 78 A A - 0 0 17 -3,-0.8 2,-0.5 1,-0.1 -5,-0.0 -0.117 360.0-108.2 -69.0 162.8 33.1 28.6 23.3 75 79 A D + 0 0 75 1,-0.1 -1,-0.1 -59,-0.1 -4,-0.1 -0.821 33.3 172.8 -92.1 119.6 29.7 26.8 22.9 76 80 A Y + 0 0 27 -2,-0.5 136,-0.1 132,-0.1 2,-0.1 -0.004 34.2 131.4-113.7 23.0 27.3 28.5 20.5 77 81 A S S >> S- 0 0 9 1,-0.1 4,-2.1 135,-0.1 3,-0.7 -0.416 72.2-111.4 -71.5 153.5 24.7 25.8 20.6 78 82 A K H 3> S+ 0 0 6 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.847 118.2 56.9 -52.1 -42.5 21.1 26.8 21.1 79 83 A A H 3> S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.889 108.0 47.7 -52.3 -44.9 21.1 25.1 24.5 80 84 A A H <> S+ 0 0 1 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.912 113.0 46.3 -65.4 -43.0 24.0 27.3 25.6 81 85 A L H X S+ 0 0 3 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.805 109.2 57.0 -72.0 -26.3 22.4 30.5 24.4 82 86 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.929 104.3 52.2 -68.0 -40.6 19.1 29.3 26.1 83 87 A R H X S+ 0 0 118 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.917 104.5 56.8 -57.3 -43.2 21.1 29.1 29.4 84 88 A D H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.878 106.7 50.4 -52.0 -42.3 22.3 32.8 28.7 85 89 A Q H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.915 108.1 50.0 -68.9 -46.2 18.6 33.8 28.6 86 90 A L H X S+ 0 0 55 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.928 115.3 45.0 -51.5 -48.4 17.7 32.1 31.8 87 91 A E H X S+ 0 0 67 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.891 113.1 50.2 -65.8 -42.5 20.6 33.8 33.5 88 92 A T H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.945 115.2 41.8 -60.5 -51.5 19.9 37.2 31.9 89 93 A M H X>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 4,-0.7 0.944 113.3 55.0 -68.6 -41.0 16.2 37.2 32.9 90 94 A G H ><5S+ 0 0 24 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.2 0.903 108.6 47.3 -50.1 -48.9 17.1 35.8 36.3 91 95 A Q H 3<5S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.888 109.0 53.8 -65.1 -39.5 19.5 38.7 37.0 92 96 A L H 3<5S- 0 0 52 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.573 130.2 -96.7 -73.4 -8.2 16.9 41.3 35.8 93 97 A G T <<5S+ 0 0 60 -3,-1.0 2,-0.5 -4,-0.7 -3,-0.2 0.605 85.0 120.3 106.2 16.6 14.5 39.7 38.4 94 98 A F < + 0 0 48 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.952 26.4 169.3-123.2 121.7 12.4 37.3 36.3 95 99 A E S S+ 0 0 158 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.624 81.4 31.5 -95.0 -20.2 12.2 33.5 36.9 96 100 A R S S+ 0 0 98 -7,-0.1 2,-0.3 199,-0.1 -1,-0.3 -0.998 76.3 148.3-141.4 133.6 9.3 33.0 34.5 97 101 A F E - f 0 120A 2 22,-2.8 24,-2.1 -2,-0.3 25,-0.6 -0.985 44.1 -96.7-161.5 161.6 8.7 35.0 31.3 98 102 A A E -ef 30 122A 1 -69,-2.9 -67,-2.5 -2,-0.3 2,-0.4 -0.611 32.9-148.6 -83.9 155.8 7.3 35.1 27.7 99 103 A V E -ef 31 123A 0 23,-1.9 25,-2.6 -2,-0.2 2,-0.5 -0.998 14.0-176.7-132.7 121.5 9.7 34.6 24.7 100 104 A I E +ef 32 124A 0 -69,-2.8 -67,-2.1 -2,-0.4 2,-0.3 -0.987 18.2 178.0-118.0 113.3 9.2 36.2 21.3 101 105 A G E -ef 33 125A 0 23,-2.5 25,-2.5 -2,-0.5 2,-0.4 -0.887 19.6-158.8-121.1 151.5 11.9 35.1 18.8 102 106 A H E > - f 0 126A 0 -69,-2.7 3,-1.9 -2,-0.3 25,-0.2 -0.989 63.4 -38.6-124.7 131.2 12.6 35.7 15.1 103 107 A D T >> S+ 0 0 14 23,-1.8 3,-1.5 -2,-0.4 4,-1.2 -0.209 136.9 7.6 57.5-129.7 14.8 33.4 12.9 104 108 A R H 3> S+ 0 0 1 1,-0.3 4,-1.8 2,-0.2 3,-0.3 0.853 131.5 58.0 -55.0 -36.2 17.8 32.2 15.1 105 109 A G H <> S+ 0 0 0 -3,-1.9 4,-2.3 -71,-0.5 -1,-0.3 0.823 100.4 54.6 -63.5 -28.8 16.3 33.7 18.2 106 110 A A H <> S+ 0 0 0 -3,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.815 106.4 55.0 -69.4 -28.1 13.1 31.7 17.8 107 111 A R H X S+ 0 0 13 -4,-1.2 4,-1.4 -3,-0.3 -2,-0.2 0.882 109.2 44.7 -71.5 -40.8 15.5 28.6 17.7 108 112 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.919 113.6 56.5 -61.4 -44.3 17.0 29.7 21.1 109 113 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.907 107.2 41.8 -54.4 -55.3 13.4 30.3 22.2 110 114 A Y H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.877 113.7 53.5 -69.8 -33.5 11.9 26.9 21.6 111 115 A R H X S+ 0 0 6 -4,-1.4 4,-2.8 -5,-0.2 5,-0.2 0.934 110.4 48.4 -61.5 -44.3 15.0 25.1 23.0 112 116 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.908 111.1 49.1 -60.7 -43.9 14.7 27.1 26.1 113 117 A A H < S+ 0 0 2 -4,-2.2 119,-0.3 2,-0.2 -1,-0.2 0.867 114.5 46.6 -68.6 -31.5 11.0 26.3 26.4 114 118 A L H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.917 118.7 39.2 -76.9 -43.5 11.7 22.6 25.9 115 119 A D H < S+ 0 0 57 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.760 131.0 26.3 -72.6 -28.9 14.6 22.5 28.4 116 120 A H >X + 0 0 61 -4,-2.4 3,-1.5 -5,-0.2 4,-1.0 -0.560 63.6 162.5-137.5 64.7 13.0 24.8 31.1 117 121 A P T 34 S+ 0 0 42 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.795 75.5 62.0 -62.3 -24.0 9.2 24.7 30.8 118 122 A Q T 34 S+ 0 0 178 1,-0.2 -5,-0.1 -22,-0.0 -2,-0.0 0.779 105.5 49.2 -72.5 -19.5 8.8 26.2 34.3 119 123 A A T <4 S+ 0 0 8 -3,-1.5 -22,-2.8 -7,-0.2 2,-0.7 0.711 96.7 75.3 -91.5 -20.4 10.6 29.3 33.0 120 124 A V E < +f 97 0A 5 -4,-1.0 -22,-0.2 -24,-0.2 -1,-0.1 -0.819 47.9 175.3-106.0 112.3 8.6 29.9 29.8 121 125 A A E S- 0 0 4 -24,-2.1 2,-0.3 -2,-0.7 -23,-0.2 0.773 73.8 -6.8 -79.0 -33.4 5.1 31.4 30.2 122 126 A A E -f 98 0A 2 -25,-0.6 -23,-1.9 111,-0.2 2,-0.4 -0.957 64.1-147.3-161.0 154.6 4.3 31.7 26.5 123 127 A F E -fg 99 235A 0 111,-2.3 113,-2.3 -2,-0.3 2,-0.5 -0.992 7.4-171.7-139.1 125.9 6.3 31.4 23.2 124 128 A V E -fg 100 236A 1 -25,-2.6 -23,-2.5 -2,-0.4 2,-0.5 -0.982 6.8-164.0-113.9 124.2 6.0 33.2 19.9 125 129 A S E -fg 101 237A 0 111,-2.7 113,-2.7 -2,-0.5 2,-0.7 -0.956 3.9-159.6-105.2 122.2 7.9 32.0 16.8 126 130 A L E S-fg 102 238A 0 -25,-2.5 -23,-1.8 -2,-0.5 -20,-0.2 -0.925 77.7 -23.1 -99.6 113.8 8.3 34.4 13.8 127 131 A T S S+ 0 0 29 111,-3.3 2,-0.4 -2,-0.7 112,-0.1 0.404 110.1 115.3 70.8 4.1 9.1 32.5 10.6 128 132 A V + 0 0 3 110,-0.2 -1,-0.2 -27,-0.2 110,-0.1 -0.863 35.9 175.5-117.8 137.2 10.6 29.4 12.4 129 133 A V - 0 0 17 -2,-0.4 5,-0.1 -3,-0.1 -22,-0.0 -0.874 54.6 -71.9-116.6 163.0 9.9 25.7 12.8 130 134 A P >> - 0 0 0 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.189 38.8-121.7 -62.4 145.7 12.2 23.3 14.6 131 135 A I H 3> S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.791 110.3 65.7 -55.5 -31.1 15.5 22.5 12.9 132 136 A L H 3> S+ 0 0 20 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.942 106.0 44.2 -57.6 -42.5 14.5 18.7 13.0 133 137 A D H <> S+ 0 0 21 -3,-0.8 4,-1.0 1,-0.2 -2,-0.2 0.918 110.9 53.4 -69.7 -44.0 11.6 19.5 10.6 134 138 A N H >< S+ 0 0 23 -4,-1.8 3,-0.7 1,-0.2 4,-0.3 0.920 108.5 50.3 -53.9 -46.0 13.8 21.8 8.4 135 139 A W H >< S+ 0 0 56 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.908 106.5 53.7 -65.7 -35.7 16.4 19.0 7.9 136 140 A A H 3< S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.745 108.0 53.4 -67.4 -22.4 13.8 16.4 7.0 137 141 A A T << S+ 0 0 30 -4,-1.0 -1,-0.2 -3,-0.7 5,-0.2 0.374 76.1 131.6 -92.9 0.3 12.5 18.8 4.2 138 142 A V < + 0 0 57 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.0 -0.327 23.8 143.7 -61.5 129.6 15.8 19.4 2.5 139 143 A N > - 0 0 98 -2,-0.1 4,-2.6 1,-0.0 5,-0.2 -0.867 64.9 -73.6-148.6-176.4 15.7 19.1 -1.3 140 144 A K H > S+ 0 0 168 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.893 128.6 43.7 -52.6 -52.0 17.3 20.8 -4.3 141 145 A V H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 112.6 52.1 -70.0 -34.6 15.3 24.0 -4.1 142 146 A F H > S+ 0 0 47 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.949 109.9 49.9 -64.0 -46.1 15.6 24.4 -0.3 143 147 A A H < S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 113.7 46.3 -64.4 -30.0 19.4 24.0 -0.6 144 148 A L H >< S+ 0 0 109 -4,-1.6 3,-0.9 -5,-0.2 -1,-0.2 0.894 116.7 42.4 -72.0 -49.4 19.5 26.6 -3.3 145 149 A N H 3< S+ 0 0 110 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.903 127.0 33.5 -63.8 -39.6 17.3 29.1 -1.4 146 150 A A T >X S+ 0 0 10 -4,-3.1 3,-1.4 -5,-0.2 4,-0.5 -0.281 75.3 141.7-111.1 40.2 19.0 28.4 1.9 147 151 A Y H X> + 0 0 74 -3,-0.9 4,-2.1 1,-0.3 3,-1.0 0.759 66.4 63.7 -51.9 -38.4 22.6 27.8 0.5 148 152 A H H 3> S+ 0 0 26 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.770 89.0 66.9 -64.2 -25.9 24.2 29.6 3.4 149 153 A W H <4 S+ 0 0 28 -3,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.840 111.1 36.9 -58.1 -30.5 22.8 27.0 5.9 150 154 A F H << S+ 0 0 65 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.832 118.1 48.4 -98.0 -31.2 25.2 24.6 4.2 151 155 A L H >< S+ 0 0 36 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.916 110.8 50.4 -68.4 -46.5 28.2 27.0 3.5 152 156 A L T 3< S+ 0 0 0 -4,-2.7 59,-0.3 1,-0.3 -1,-0.2 0.731 105.8 57.7 -69.9 -17.2 28.2 28.4 7.1 153 157 A A T 3 S+ 0 0 22 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 0.393 79.6 116.3 -89.3 -3.5 28.2 24.9 8.5 154 158 A Q S < S- 0 0 88 -3,-1.4 57,-0.1 -4,-0.2 3,-0.1 -0.271 80.9 -76.2 -60.0 154.1 31.4 23.8 6.7 155 159 A P S > S- 0 0 94 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.168 73.4 -57.7 -57.3 150.9 34.4 23.0 8.9 156 160 A Y T 3 S+ 0 0 157 1,-0.3 -3,-0.0 2,-0.1 48,-0.0 -0.441 117.3 10.7 -62.8 137.4 36.4 25.8 10.5 157 161 A D T 3> S+ 0 0 52 -3,-0.1 4,-2.3 -2,-0.1 -1,-0.3 -0.850 98.8 89.9-110.4 31.6 37.7 28.0 8.9 158 162 A L H <> S+ 0 0 78 -3,-2.0 4,-1.9 1,-0.2 -2,-0.1 0.927 96.9 37.8 -51.6 -58.2 36.3 27.7 5.4 159 163 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.894 111.9 59.0 -69.2 -34.0 33.2 29.9 5.6 160 164 A E H > S+ 0 0 25 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.901 107.1 49.0 -56.6 -39.6 35.0 32.5 7.8 161 165 A R H < S+ 0 0 167 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.940 114.0 44.6 -66.6 -42.8 37.5 32.9 5.0 162 166 A L H >< S+ 0 0 103 -4,-1.9 3,-0.8 -5,-0.2 4,-0.4 0.941 119.9 38.1 -67.0 -50.2 34.9 33.4 2.3 163 167 A I H 3< S+ 0 0 5 -4,-3.0 7,-0.2 1,-0.2 -1,-0.2 0.714 110.1 63.4 -75.2 -16.9 32.5 35.7 4.2 164 168 A G T 3< S+ 0 0 21 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.545 83.5 79.6 -86.5 -6.1 35.4 37.6 5.8 165 169 A A S < S- 0 0 87 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.951 118.8 -0.9 -66.6 -56.8 36.8 38.9 2.5 166 170 A D S > S+ 0 0 99 -4,-0.4 4,-1.8 -3,-0.2 -1,-0.3 -0.731 79.6 176.9-132.4 81.2 34.4 41.8 1.9 167 171 A P H > S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.885 73.4 50.0 -58.5 -44.8 32.2 41.5 4.9 168 172 A E H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.886 108.9 53.1 -68.0 -39.5 30.0 44.5 4.4 169 173 A H H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 111.6 45.0 -58.7 -44.7 29.2 43.6 0.8 170 174 A F H X S+ 0 0 34 -4,-1.8 4,-2.3 -7,-0.2 -2,-0.2 0.890 113.9 52.0 -64.8 -36.5 28.1 40.0 1.9 171 175 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.961 111.8 44.0 -64.4 -55.5 26.1 41.5 4.7 172 176 A D H X S+ 0 0 24 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.916 112.8 51.8 -58.4 -46.6 24.2 44.0 2.6 173 177 A Y H X S+ 0 0 89 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.937 111.7 47.4 -54.3 -49.7 23.5 41.4 -0.2 174 178 A T H X S+ 0 0 11 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.936 111.6 50.1 -56.7 -47.3 22.1 39.0 2.4 175 179 A L H X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.911 112.1 47.3 -61.8 -46.6 20.0 41.7 4.0 176 180 A R H <>S+ 0 0 128 -4,-3.1 5,-2.8 2,-0.2 6,-0.3 0.931 113.2 48.9 -60.9 -46.0 18.6 42.8 0.6 177 181 A R H ><5S+ 0 0 103 -4,-2.7 3,-1.8 -5,-0.3 -2,-0.2 0.957 110.9 49.8 -56.5 -49.7 17.9 39.1 -0.4 178 182 A M H 3<5S+ 0 0 28 -4,-3.1 92,-0.7 1,-0.3 93,-0.6 0.809 111.5 48.5 -59.7 -36.1 16.1 38.4 2.9 179 183 A A T ><5S- 0 0 0 -4,-1.8 3,-1.9 -5,-0.2 -1,-0.3 0.309 111.0-121.3 -83.7 3.7 13.9 41.5 2.5 180 184 A Q T < 5S- 0 0 110 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.856 72.4 -56.0 50.6 40.4 13.0 40.6 -1.1 181 185 A G T 3 - 0 0 33 -2,-0.7 4,-2.6 1,-0.1 5,-0.2 -0.384 23.1-123.4 -57.7 132.7 16.5 52.0 9.0 187 191 A P H > S+ 0 0 81 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.797 109.2 46.4 -61.1 -28.4 19.8 53.6 8.0 188 192 A Q H > S+ 0 0 125 2,-0.2 4,-1.0 1,-0.1 -2,-0.0 0.898 111.5 48.8 -80.0 -40.5 21.1 53.7 11.6 189 193 A A H >> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.915 107.3 60.2 -60.2 -38.5 20.1 50.1 12.5 190 194 A L H 3X S+ 0 0 29 -4,-2.6 4,-2.8 1,-0.3 -2,-0.2 0.903 100.5 52.2 -55.3 -44.8 21.9 49.1 9.2 191 195 A E H 3X S+ 0 0 97 -4,-1.3 4,-2.1 1,-0.2 -1,-0.3 0.795 108.1 53.3 -65.2 -24.5 25.2 50.6 10.4 192 196 A S H < S+ 0 0 11 -4,-1.9 3,-1.9 1,-0.2 6,-0.3 0.967 110.4 49.2 -62.0 -47.0 28.9 43.5 13.9 197 201 A F H 3< S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.774 104.5 59.3 -68.1 -26.8 29.4 41.7 10.6 198 202 A R T 3< S+ 0 0 113 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.618 87.6 91.1 -73.4 -12.1 32.8 43.5 10.1 199 203 A D S X> S- 0 0 67 -3,-1.9 4,-2.1 -4,-0.5 3,-0.7 -0.759 71.0-150.5 -86.1 117.8 33.9 41.9 13.4 200 204 A P H 3> S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.802 96.7 59.1 -61.1 -27.0 35.6 38.6 12.7 201 205 A A H 3> S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.887 106.1 48.1 -65.4 -41.9 34.5 37.3 16.1 202 206 A V H <> S+ 0 0 4 -3,-0.7 4,-2.2 -6,-0.3 5,-0.2 0.941 110.8 50.0 -66.7 -43.9 30.9 37.9 15.1 203 207 A R H X S+ 0 0 28 -4,-2.1 4,-1.9 -7,-0.3 -2,-0.2 0.909 111.2 49.7 -63.8 -38.8 31.3 36.1 11.8 204 208 A H H X S+ 0 0 50 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.880 109.7 51.2 -62.9 -40.7 32.9 33.2 13.6 205 209 A A H X S+ 0 0 1 -4,-1.9 4,-1.9 -142,-0.3 -1,-0.2 0.842 108.3 52.5 -67.9 -35.8 30.1 33.0 16.1 206 210 A M H X S+ 0 0 2 -4,-2.2 4,-2.1 -143,-0.2 -1,-0.2 0.913 109.2 48.8 -65.4 -43.2 27.5 33.0 13.2 207 211 A C H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.908 109.6 52.9 -62.9 -40.1 29.3 30.1 11.6 208 212 A E H X S+ 0 0 50 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.877 106.5 53.2 -64.3 -36.1 29.3 28.2 14.9 209 213 A D H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.960 110.3 46.7 -59.4 -51.0 25.6 28.8 15.2 210 214 A Y H X S+ 0 0 2 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.861 112.4 50.9 -65.2 -35.9 25.1 27.2 11.7 211 215 A R H X S+ 0 0 38 -4,-2.5 4,-1.6 -59,-0.3 -1,-0.2 0.889 109.1 50.0 -63.9 -46.1 27.4 24.3 12.7 212 216 A A H <>S+ 0 0 12 -4,-2.3 5,-2.4 2,-0.2 6,-0.7 0.885 104.0 60.8 -59.6 -35.2 25.5 23.6 15.9 213 217 A A H <5S+ 0 0 1 -4,-2.5 5,-0.4 1,-0.2 -1,-0.2 0.900 107.8 44.2 -62.5 -41.3 22.2 23.7 13.8 214 218 A V H <5S+ 0 0 76 -4,-1.4 -1,-0.2 -65,-0.1 -2,-0.2 0.876 130.7 15.5 -65.5 -38.7 23.6 20.7 11.8 215 219 A G T >X5S+ 0 0 25 -4,-1.6 4,-2.2 3,-0.1 3,-0.6 0.742 127.0 18.2-106.7-101.8 24.8 18.8 14.8 216 220 A V H 3>5S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -3,-0.1 0.780 122.2 53.4 -54.4 -37.3 24.0 19.3 18.5 217 221 A D H 3> S+ 0 0 10 -6,-0.7 4,-2.7 -3,-0.6 -2,-0.2 0.898 111.4 51.9 -64.6 -39.9 19.3 18.7 15.7 219 223 A D H X S+ 0 0 109 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.873 109.0 51.1 -57.1 -44.3 20.3 15.9 18.2 220 224 A A H X S+ 0 0 30 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.907 110.6 47.7 -62.6 -45.6 18.6 17.8 21.0 221 225 A D H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.919 111.3 51.6 -65.7 -43.0 15.4 18.2 18.9 222 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