==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-SEP-12 4BAU . 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) . 12460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 74.2 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 . 15 5.1 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 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 3 1 3 0 1 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 1 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 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 0 198 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.1 11.7 59.4 15.0 2 5 A P - 0 0 93 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.256 360.0-112.9 -74.0 159.5 14.3 58.0 17.4 3 6 A L S S- 0 0 47 1,-0.2 42,-0.1 45,-0.0 41,-0.0 -0.751 92.3 -11.2 -89.6 126.5 15.4 54.4 17.6 4 7 A L S > S- 0 0 6 -2,-0.5 3,-1.8 40,-0.3 -1,-0.2 0.898 80.9-153.4 51.1 60.1 14.5 52.9 20.9 5 8 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.366 74.3 7.3 -62.7 130.4 13.5 55.9 22.8 6 9 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 -2,-0.1 19,-0.2 0.465 88.7 140.7 82.2 1.0 13.9 55.5 26.5 7 10 A F < - 0 0 18 -3,-1.8 2,-0.5 17,-0.1 -1,-0.3 -0.646 45.4-139.3 -80.5 138.7 15.7 52.2 26.4 8 11 A D E -A 23 0A 102 15,-2.9 15,-2.3 -2,-0.3 2,-0.5 -0.857 13.4-138.5-100.2 125.9 18.5 51.8 28.9 9 12 A Y E +A 22 0A 88 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.738 27.4 177.9 -93.3 122.5 21.6 50.0 27.6 10 13 A L E -A 21 0A 44 11,-3.2 11,-2.2 -2,-0.5 2,-0.5 -0.845 26.3-147.1-120.5 158.5 23.3 47.5 29.9 11 14 A T E -A 20 0A 52 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.946 21.7-159.6-126.5 110.4 26.2 45.0 29.8 12 15 A L E -A 19 0A 16 7,-2.8 7,-3.0 -2,-0.5 2,-0.7 -0.714 8.2-146.5 -95.1 141.5 25.6 41.9 31.9 13 16 A H E +A 18 0A 126 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.917 28.5 171.3-110.9 107.3 28.4 39.7 33.1 14 17 A T - 0 0 14 3,-2.7 3,-0.1 -2,-0.7 70,-0.1 -0.529 50.1 -85.2-109.6-179.7 27.3 36.1 33.2 15 18 A S S S+ 0 0 93 1,-0.2 3,-0.0 -2,-0.2 69,-0.0 0.879 123.0 11.5 -54.0 -42.5 29.2 32.9 33.8 16 19 A A S S+ 0 0 35 64,-0.1 54,-2.4 54,-0.0 55,-0.5 0.356 124.0 41.5-123.6 4.8 30.4 32.5 30.1 17 20 A A E - B 0 69A 1 52,-0.3 -3,-2.7 53,-0.1 2,-0.5 -0.964 58.0-133.6-155.2 158.8 29.6 35.8 28.4 18 21 A R E -AB 13 68A 85 50,-2.7 50,-2.6 -2,-0.3 2,-0.4 -0.996 42.8-162.6-115.8 111.5 29.4 39.6 28.4 19 22 A L E -A 12 0A 2 -7,-3.0 -7,-2.8 -2,-0.5 2,-0.5 -0.892 18.5-139.8-112.4 130.4 26.0 40.4 27.1 20 23 A R E +A 11 0A 39 -2,-0.4 40,-2.5 40,-0.3 2,-0.3 -0.755 30.4 173.4 -83.2 125.3 24.5 43.5 25.6 21 24 A V E -AC 10 59A 0 -11,-2.2 -11,-3.2 -2,-0.5 2,-0.4 -0.964 19.3-161.1-128.7 146.8 20.9 44.1 26.8 22 25 A A E -AC 9 58A 0 36,-2.5 36,-2.8 -2,-0.3 2,-0.3 -0.999 19.0-169.8-130.2 132.2 18.6 47.1 26.3 23 26 A V E +AC 8 57A 31 -15,-2.3 -15,-2.9 -2,-0.4 2,-0.3 -0.916 15.4 157.7-128.2 147.6 15.6 47.5 28.7 24 27 A K E + C 0 56A 79 32,-2.0 32,-3.2 -2,-0.3 -17,-0.1 -0.947 38.7 23.6-161.3 148.7 12.4 49.5 29.0 25 28 A G - 0 0 43 -2,-0.3 2,-0.3 30,-0.2 30,-0.3 -0.226 58.8-103.7 96.0 175.6 9.0 49.4 30.7 26 29 A S + 0 0 94 25,-0.4 30,-0.0 28,-0.4 -2,-0.0 -0.939 66.9 55.5-138.6 162.1 7.3 47.7 33.6 27 30 A G S S+ 0 0 41 -2,-0.3 27,-0.2 27,-0.2 28,-0.1 -0.724 95.8 4.2 107.5-163.6 4.8 44.9 34.0 28 31 A P S S- 0 0 52 0, 0.0 27,-2.1 0, 0.0 2,-0.3 -0.235 84.2-108.2 -61.6 141.5 5.1 41.3 32.8 29 32 A P E -d 55 0A 20 0, 0.0 69,-2.7 0, 0.0 2,-0.4 -0.581 32.7-175.9 -80.9 137.9 8.5 40.5 31.3 30 33 A L E -de 56 98A 0 25,-2.9 27,-2.6 -2,-0.3 2,-0.5 -0.992 10.1-157.9-125.1 132.5 9.1 39.9 27.6 31 34 A L E -de 57 99A 0 67,-2.5 69,-2.9 -2,-0.4 2,-0.5 -0.949 9.7-160.2-112.1 121.3 12.5 38.8 26.2 32 35 A L E -de 58 100A 0 25,-2.9 27,-1.5 -2,-0.5 2,-0.5 -0.936 4.3-165.7-110.2 127.0 13.0 39.6 22.5 33 36 A L E -de 59 101A 0 67,-2.5 69,-2.6 -2,-0.5 72,-0.2 -0.941 5.8-154.1-123.8 111.8 15.7 37.7 20.6 34 37 A H - 0 0 0 25,-0.7 71,-0.4 -2,-0.5 2,-0.1 -0.080 11.5-141.2 -68.9 178.2 16.9 38.9 17.1 35 38 A G > - 0 0 0 69,-0.2 3,-2.0 4,-0.2 68,-0.1 -0.420 37.3 -8.4-127.1-157.5 18.4 36.8 14.4 36 39 A Y T 3 S+ 0 0 1 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.646 117.1 1.0 -93.3 143.5 21.1 36.7 11.6 37 40 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 160,-0.2 -0.400 118.6 79.2 -99.5 59.5 22.9 38.9 10.5 38 41 A Q < - 0 0 0 -3,-2.0 27,-0.3 158,-0.1 2,-0.3 -0.240 57.6-135.8-117.5-167.4 21.4 41.4 12.9 39 42 A T > - 0 0 0 25,-0.1 3,-2.2 -2,-0.1 -4,-0.2 -0.845 51.8 -72.6-139.6-173.7 21.3 42.7 16.5 40 43 A H G > S+ 0 0 3 1,-0.3 3,-1.9 -2,-0.3 20,-0.1 0.706 117.4 78.2 -59.6 -20.6 18.7 43.8 19.0 41 44 A L G > S+ 0 0 13 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.715 71.0 82.0 -64.7 -18.6 18.0 46.9 16.9 42 45 A A G < S+ 0 0 0 -3,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.723 87.1 59.0 -55.6 -20.2 16.0 44.7 14.6 43 46 A W G X> + 0 0 0 -3,-1.9 4,-3.0 1,-0.2 3,-1.9 0.311 69.6 111.8 -88.7 9.9 13.2 45.2 17.2 44 47 A H T <4 S+ 0 0 21 -3,-2.2 -40,-0.3 1,-0.3 -1,-0.2 0.710 77.1 47.1 -66.5 -20.5 13.1 49.0 16.9 45 48 A R T 34 S+ 0 0 84 -3,-0.4 -1,-0.3 228,-0.2 -2,-0.1 0.529 124.4 31.2 -91.7 -5.9 9.6 49.1 15.3 46 49 A I T <> S+ 0 0 0 -3,-1.9 4,-1.9 2,-0.1 3,-0.3 0.738 104.8 66.1-117.4 -45.3 8.1 46.7 17.8 47 50 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.853 95.8 55.9 -58.2 -40.7 9.8 47.1 21.2 48 51 A P H 4 S+ 0 0 35 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.947 109.0 47.8 -63.6 -39.7 8.7 50.7 22.0 49 52 A R H >4 S+ 0 0 83 -3,-0.3 3,-1.4 1,-0.2 4,-0.4 0.927 112.5 49.2 -62.2 -47.2 5.0 49.8 21.7 50 53 A L H >X S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.3 4,-1.8 0.888 101.9 62.9 -57.7 -37.1 5.4 46.7 23.8 51 54 A A T 3< S+ 0 0 6 -4,-2.4 -25,-0.4 1,-0.3 -1,-0.3 0.590 87.9 72.4 -69.7 -9.9 7.2 48.7 26.5 52 55 A E T <4 S+ 0 0 131 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.776 119.2 13.9 -65.9 -27.9 4.0 50.7 27.0 53 56 A D T <4 S+ 0 0 85 -3,-2.0 2,-0.3 -4,-0.4 -2,-0.2 0.516 125.9 41.9-127.6 -11.3 2.5 47.7 28.7 54 57 A Y S < S- 0 0 28 -4,-1.8 2,-0.8 -27,-0.2 -28,-0.4 -0.872 81.8 -99.4-138.5 160.5 5.3 45.2 29.5 55 58 A S E - d 0 29A 16 -27,-2.1 -25,-2.9 -2,-0.3 2,-0.5 -0.808 47.6-157.5 -77.6 114.3 8.8 44.9 30.8 56 59 A V E -Cd 24 30A 1 -32,-3.2 -32,-2.0 -2,-0.8 2,-0.5 -0.857 15.5-174.7-109.0 128.2 10.8 44.6 27.6 57 60 A V E -Cd 23 31A 4 -27,-2.6 -25,-2.9 -2,-0.5 2,-0.5 -0.984 2.7-170.8-120.6 118.6 14.3 43.1 27.4 58 61 A L E -Cd 22 32A 0 -36,-2.8 -36,-2.5 -2,-0.5 2,-0.4 -0.928 12.1-174.0-107.3 129.0 16.2 43.2 24.1 59 62 A A E -Cd 21 33A 1 -27,-1.5 -25,-0.7 -2,-0.5 2,-0.5 -0.970 27.4-130.7-125.9 148.4 19.4 41.2 24.0 60 63 A D - 0 0 3 -40,-2.5 -40,-0.3 -2,-0.4 3,-0.1 -0.815 41.3-116.4 -84.4 128.8 22.3 40.7 21.5 61 64 A L > - 0 0 0 -2,-0.5 3,-2.4 1,-0.2 6,-0.3 -0.298 47.1 -75.2 -62.7 149.8 22.8 36.9 21.1 62 65 A R T 3 S+ 0 0 12 1,-0.3 6,-0.2 6,-0.1 -1,-0.2 -0.236 122.2 10.2 -51.7 125.6 26.1 35.6 22.3 63 66 A G T 3 S+ 0 0 5 4,-0.5 -1,-0.3 1,-0.3 142,-0.3 0.107 109.6 101.1 89.0 -22.0 28.7 36.5 19.6 64 67 A Y S X S- 0 0 1 -3,-2.4 3,-2.3 141,-0.1 -1,-0.3 -0.599 89.6 -21.1 -90.5 156.5 26.3 38.8 17.7 65 68 A G T 3 S- 0 0 12 -27,-0.3 -26,-0.1 1,-0.3 137,-0.1 -0.254 130.9 -20.5 53.5-123.0 26.3 42.6 17.9 66 69 A E T 3 S+ 0 0 93 -46,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.351 111.7 103.9-100.0 5.6 28.0 43.7 21.2 67 70 A S < + 0 0 3 -3,-2.3 -4,-0.5 -6,-0.3 2,-0.4 -0.658 48.3 179.3 -90.1 142.0 27.6 40.3 23.0 68 71 A R E -B 18 0A 116 -50,-2.6 -50,-2.7 -2,-0.3 2,-0.2 -0.993 31.2-118.6-146.8 145.5 30.7 38.1 23.3 69 72 A A E -B 17 0A 8 -2,-0.4 -52,-0.3 -52,-0.2 5,-0.1 -0.530 28.2-127.3 -70.8 148.4 31.7 34.9 24.8 70 73 A L 0 0 98 -54,-2.4 -53,-0.1 -2,-0.2 -1,-0.1 0.803 360.0 360.0 -68.4 -24.8 34.5 35.2 27.4 71 74 A D 0 0 124 -55,-0.5 -2,-0.2 4,-0.1 -55,-0.0 0.367 360.0 360.0-120.2 360.0 36.4 32.6 25.3 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 95 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 34.5 36.6 27.7 21.9 74 78 A A - 0 0 17 1,-0.1 2,-0.6 -5,-0.1 -5,-0.0 -0.189 360.0-109.8 -67.7 157.8 33.3 29.0 23.2 75 79 A D + 0 0 74 1,-0.1 -1,-0.1 -59,-0.1 -4,-0.1 -0.783 34.7 173.4 -85.0 118.7 30.0 27.1 23.0 76 80 A Y + 0 0 26 -2,-0.6 136,-0.1 132,-0.1 -1,-0.1 0.056 33.6 130.3-116.4 25.5 27.6 28.8 20.5 77 81 A S S > S- 0 0 9 1,-0.1 4,-2.2 135,-0.1 3,-0.3 -0.347 72.9-112.4 -71.1 156.2 24.9 26.1 20.6 78 82 A K H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.861 119.0 58.6 -57.0 -34.0 21.3 27.1 21.1 79 83 A A H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 107.4 46.8 -62.7 -42.9 21.4 25.4 24.6 80 84 A A H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.930 113.7 46.9 -64.4 -44.0 24.3 27.7 25.6 81 85 A L H X S+ 0 0 4 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.863 108.6 56.5 -70.5 -30.8 22.6 30.8 24.4 82 86 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 3,-0.3 0.917 105.1 51.3 -62.7 -45.8 19.4 29.6 26.1 83 87 A R H X S+ 0 0 110 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.917 104.7 57.9 -56.2 -40.0 21.4 29.5 29.4 84 88 A D H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.878 106.0 50.1 -55.7 -39.8 22.5 33.1 28.7 85 89 A Q H X S+ 0 0 2 -4,-1.4 4,-2.7 -3,-0.3 5,-0.3 0.895 108.6 50.1 -70.3 -40.4 18.9 34.1 28.6 86 90 A L H X S+ 0 0 49 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.940 115.5 44.1 -62.1 -43.1 18.0 32.4 31.9 87 91 A E H X S+ 0 0 63 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.911 113.6 50.3 -67.6 -42.3 21.0 34.2 33.5 88 92 A T H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.962 115.4 41.6 -59.2 -55.9 20.2 37.5 31.9 89 93 A M H X>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 4,-0.8 0.907 113.3 53.7 -63.3 -40.9 16.5 37.5 32.9 90 94 A G H ><5S+ 0 0 23 -4,-2.5 3,-1.2 -5,-0.3 -1,-0.2 0.938 107.7 50.5 -56.5 -47.0 17.4 36.2 36.4 91 95 A Q H 3<5S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.915 108.7 52.6 -57.1 -42.6 19.9 39.0 36.9 92 96 A L H 3<5S- 0 0 52 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.606 129.9 -95.8 -70.6 -12.8 17.2 41.5 35.8 93 97 A G T <<5S+ 0 0 59 -3,-1.2 2,-0.5 -4,-0.8 -3,-0.2 0.542 85.5 118.5 109.8 15.7 14.8 40.1 38.4 94 98 A F < + 0 0 47 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.946 28.0 170.6-122.8 120.0 12.7 37.5 36.4 95 99 A E S S+ 0 0 158 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.605 82.6 34.8 -88.6 -18.2 12.5 33.8 37.0 96 100 A R S S+ 0 0 83 -7,-0.1 2,-0.3 199,-0.1 24,-0.2 -0.993 73.6 148.7-142.4 137.1 9.7 33.4 34.5 97 101 A F E - 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0 0 41 -2,-0.8 4,-2.7 1,-0.1 3,-0.2 -0.435 24.0-125.6 -55.8 132.3 16.6 52.0 8.9 187 191 A P H > S+ 0 0 87 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.824 109.1 48.1 -61.7 -28.5 20.0 53.5 7.9 188 192 A Q H > S+ 0 0 124 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.892 110.3 49.4 -78.4 -36.4 21.2 53.8 11.5 189 193 A A H > S+ 0 0 0 -3,-0.2 4,-2.5 1,-0.2 3,-0.2 0.912 109.1 56.8 -57.6 -43.2 20.1 50.2 12.4 190 194 A L H X S+ 0 0 30 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.902 101.7 53.3 -62.1 -39.3 22.0 49.2 9.2 191 195 A E H X S+ 0 0 96 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.878 109.1 50.8 -65.4 -30.3 25.3 50.9 10.5 192 196 A S H X S+ 0 0 37 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.958 111.4 46.7 -69.5 -44.8 25.0 48.8 13.7 193 197 A Y H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 114.2 49.0 -58.7 -43.8 24.5 45.6 11.7 194 198 A R H X S+ 0 0 48 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.918 108.3 52.0 -63.8 -47.0 27.5 46.5 9.5 195 199 A R H < S+ 0 0 181 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.916 110.8 48.5 -58.7 -43.8 29.8 47.4 12.4 196 200 A A H >< S+ 0 0 10 -4,-2.2 3,-1.8 1,-0.2 6,-0.3 0.940 111.0 49.6 -59.3 -45.7 29.1 44.0 14.0 197 201 A F H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.791 102.4 61.8 -70.9 -24.0 29.7 42.1 10.8 198 202 A R T 3< S+ 0 0 115 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.572 86.7 89.9 -71.8 -10.0 33.0 44.0 10.3 199 203 A D S X> S- 0 0 72 -3,-1.8 4,-1.9 -4,-0.3 3,-0.8 -0.803 72.3-150.2 -91.3 114.6 34.2 42.3 13.6 200 204 A P H 3> S+ 0 0 81 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.807 96.3 59.4 -55.3 -27.6 35.9 39.0 12.8 201 205 A A H 3> S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.876 105.1 49.1 -69.8 -33.9 34.8 37.6 16.2 202 206 A V H <> S+ 0 0 3 -3,-0.8 4,-2.2 -6,-0.3 5,-0.2 0.946 110.5 49.8 -69.5 -47.2 31.1 38.2 15.2 203 207 A R H X S+ 0 0 28 -4,-1.9 4,-2.1 -7,-0.3 -2,-0.2 0.899 112.0 49.1 -59.7 -40.8 31.5 36.5 11.9 204 208 A H H X S+ 0 0 53 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.923 109.3 51.4 -62.6 -42.0 33.1 33.6 13.6 205 209 A A H X S+ 0 0 1 -4,-2.3 4,-1.9 -142,-0.3 -2,-0.2 0.839 108.8 52.1 -62.4 -38.1 30.3 33.4 16.2 206 210 A M H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.922 109.5 48.3 -66.7 -45.2 27.8 33.4 13.3 207 211 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.917 109.7 53.4 -59.3 -43.0 29.6 30.4 11.6 208 212 A E H X S+ 0 0 48 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.892 106.1 53.2 -60.9 -37.5 29.6 28.6 15.0 209 213 A D H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.965 111.1 46.0 -57.1 -51.9 25.8 29.1 15.2 210 214 A Y H X S+ 0 0 2 -4,-2.1 4,-1.3 1,-0.2 -57,-0.2 0.863 111.8 51.5 -64.5 -33.0 25.4 27.5 11.8 211 215 A R H X S+ 0 0 38 -4,-2.6 4,-1.7 -59,-0.3 -1,-0.2 0.906 109.5 50.0 -66.0 -43.9 27.7 24.7 12.7 212 216 A A H <>S+ 0 0 11 -4,-2.4 5,-2.7 1,-0.2 6,-0.7 0.864 104.0 59.9 -61.5 -36.1 25.8 24.0 15.9 213 217 A A H <5S+ 0 0 1 -4,-1.9 5,-0.3 1,-0.2 -1,-0.2 0.871 108.5 43.9 -62.5 -40.1 22.5 24.0 13.8 214 218 A V H <5S+ 0 0 76 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.867 130.0 18.5 -63.7 -47.1 23.9 21.0 11.8 215 219 A G T >X5S+ 0 0 27 -4,-1.7 4,-2.2 -5,-0.1 3,-0.7 0.708 128.0 13.7 -96.1-103.1 25.2 19.2 14.8 216 220 A V H 3>5S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.812 122.7 55.7 -57.9 -32.9 24.4 19.5 18.5 217 221 A D H 3> S+ 0 0 10 -6,-0.7 4,-2.4 -3,-0.7 -2,-0.2 0.894 111.6 53.5 -71.8 -36.1 19.7 19.0 15.7 219 223 A D H X S+ 0 0 111 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.898 109.1 50.5 -61.8 -44.9 20.7 16.2 18.1 220 224 A A H X S+ 0 0 31 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.925 110.2 47.9 -60.5 -44.2 19.0 18.1 20.9 221 225 A D H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.905 111.5 51.3 -65.7 -40.2 15.8 18.5 19.0 222 226 A Q H X S+ 0 0 76 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.898 107.1 53.3 -62.9 -39.8 15.9 14.8 18.0 223 227 A A H X S+ 0 0 54 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.901 110.2 47.7 -65.2 -38.5 16.3 13.8 21.7 224 228 A D H X>S+ 0 0 16 -4,-1.9 5,-2.5 2,-0.2 4,-0.9 0.927 112.1 49.1 -66.0 -42.5 13.2 15.8 22.6 225 229 A R H ><5S+ 0 0 99 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.930 110.8 51.1 -62.3 -40.6 11.2 14.3 19.8 226 230 A D H 3<5S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.898 113.9 43.9 -58.9 -45.4 12.4 10.9 20.9 227 231 A A H 3<5S- 0 0 80 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.523 109.9-121.8 -74.8 -12.7 11.2 11.6 24.5 228 232 A G T <<5 + 0 0 57 -4,-0.9 2,-0.5 -3,-0.8 -3,-0.2 0.813 54.4 164.2 68.8 25.7 7.9 13.2 23.3 229 233 A R < - 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