==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-09 2WUF . COMPND 2 MOLECULE: 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR N.A.LACK,K.C.YAM,E.D.LOWE,G.P.HORSMAN,R.OWEN,E.SIM, . 564 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 7 0 2 1 0 2 0 6 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 4 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 0 0 2 0 0 2 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 2 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 7 A L 0 0 123 0, 0.0 2,-0.2 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 123.6 -7.3 -19.3 8.5 2 8 A T > - 0 0 58 1,-0.1 4,-1.4 5,-0.0 5,-0.1 -0.739 360.0-107.0-121.7 171.3 -4.1 -18.5 10.5 3 9 A F H > S+ 0 0 62 -2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.906 122.7 44.9 -61.7 -39.5 -3.1 -16.5 13.5 4 10 A E H 4 S+ 0 0 139 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.859 108.4 52.0 -77.1 -37.5 -1.6 -14.0 11.2 5 11 A S H 4 S+ 0 0 64 1,-0.2 -1,-0.2 18,-0.0 -2,-0.2 0.822 117.3 41.9 -67.9 -26.2 -4.4 -13.7 8.6 6 12 A T H < S+ 0 0 4 -4,-1.4 18,-2.0 17,-0.1 -1,-0.2 0.590 84.1 121.2 -95.9 -11.2 -6.8 -13.0 11.4 7 13 A S E < +A 23 0A 32 -4,-0.8 2,-0.3 -3,-0.3 16,-0.2 -0.252 33.4 169.8 -64.7 136.4 -4.9 -10.6 13.6 8 14 A R E -A 22 0A 83 14,-2.0 14,-2.4 2,-0.0 2,-0.4 -0.990 18.1-155.3-144.0 149.9 -6.4 -7.2 14.3 9 15 A F E +A 21 0A 111 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.964 11.3 178.4-127.5 147.0 -5.6 -4.3 16.6 10 16 A A E -A 20 0A 11 10,-1.8 10,-2.8 -2,-0.4 2,-0.5 -0.997 20.2-142.2-144.4 143.6 -7.9 -1.6 18.0 11 17 A E E +A 19 0A 129 -2,-0.3 2,-0.2 8,-0.2 8,-0.2 -0.929 28.8 172.1-109.6 122.8 -7.3 1.4 20.3 12 18 A V E -A 18 0A 8 6,-2.4 6,-1.8 -2,-0.5 2,-0.7 -0.749 33.3-104.1-124.4 169.5 -10.2 2.1 22.7 13 19 A D E +A 17 0A 121 -2,-0.2 2,-0.3 4,-0.2 79,-0.1 -0.865 44.4 149.4-104.6 114.0 -10.8 4.5 25.7 14 20 A V S S- 0 0 5 2,-2.8 75,-0.1 -2,-0.7 -2,-0.1 -0.778 95.2 -37.6-135.9 94.4 -10.8 3.1 29.2 15 21 A D S S- 0 0 154 -2,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.839 137.5 -20.7 51.6 34.0 -9.5 5.7 31.5 16 22 A G S S- 0 0 17 2,-0.1 -2,-2.8 0, 0.0 -4,-0.1 -0.542 113.8 -21.7 124.0 170.7 -7.2 6.4 28.6 17 23 A P E -A 13 0A 88 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.174 57.3-178.9 -51.5 137.2 -5.9 4.6 25.5 18 24 A L E -A 12 0A 0 -6,-1.8 -6,-2.4 71,-0.1 2,-0.4 -0.966 19.1-139.6-144.7 120.5 -6.0 0.8 25.7 19 25 A K E -A 11 0A 84 -2,-0.3 55,-2.9 -8,-0.2 2,-0.4 -0.690 18.3-170.1 -85.7 128.8 -4.8 -1.6 23.0 20 26 A L E -A 10 0A 2 -10,-2.8 -10,-1.8 -2,-0.4 2,-0.4 -0.968 6.8-156.1-121.4 129.8 -7.0 -4.6 22.2 21 27 A H E +A 9 0A 1 -2,-0.4 45,-3.0 45,-0.4 2,-0.3 -0.849 22.4 163.4-102.7 141.2 -5.9 -7.5 20.0 22 28 A Y E -AB 8 65A 14 -14,-2.4 -14,-2.0 -2,-0.4 2,-0.4 -0.974 33.8-123.2-151.1 164.6 -8.4 -9.8 18.3 23 29 A H E -AB 7 64A 2 41,-2.6 41,-2.6 -2,-0.3 2,-0.4 -0.933 23.8-161.0-112.4 134.9 -8.9 -12.3 15.6 24 30 A E E + B 0 63A 41 -18,-2.0 2,-0.3 -2,-0.4 39,-0.2 -0.956 18.8 155.5-119.5 136.3 -11.5 -11.8 12.9 25 31 A A E + B 0 62A 7 37,-1.9 37,-1.5 -2,-0.4 29,-0.0 -0.949 48.8 41.1-149.4 166.3 -13.0 -14.4 10.6 26 32 A G > - 0 0 17 -2,-0.3 3,-2.0 35,-0.2 -1,-0.1 0.792 66.2-177.6 65.0 29.7 -16.0 -15.2 8.5 27 33 A V T 3 + 0 0 101 1,-0.3 -1,-0.2 34,-0.1 3,-0.1 -0.306 67.0 38.8 -62.1 140.8 -16.3 -11.6 7.2 28 34 A G T 3 S+ 0 0 76 1,-0.4 2,-0.4 2,-0.0 -1,-0.3 0.287 84.2 118.2 95.0 -13.4 -19.3 -11.4 5.0 29 35 A N < - 0 0 58 -3,-2.0 -1,-0.4 1,-0.1 31,-0.1 -0.732 66.8-131.4 -83.1 141.6 -21.5 -13.5 7.2 30 36 A D S S+ 0 0 162 -2,-0.4 2,-0.5 29,-0.1 -1,-0.1 0.809 82.1 63.0 -66.2 -39.2 -24.4 -11.5 8.4 31 37 A Q S S- 0 0 83 28,-0.4 30,-2.4 71,-0.0 2,-0.3 -0.819 70.3-147.5-102.3 123.4 -24.4 -12.2 12.1 32 38 A T E -c 61 0A 26 -2,-0.5 2,-0.4 28,-0.2 30,-0.2 -0.680 13.6-172.4 -85.5 138.6 -21.5 -11.2 14.3 33 39 A V E -c 62 0A 2 28,-2.6 30,-2.5 -2,-0.3 2,-0.4 -0.997 12.1-146.3-129.8 133.8 -20.5 -13.2 17.4 34 40 A V E -cd 63 104A 2 69,-2.0 71,-3.0 -2,-0.4 2,-0.5 -0.848 8.8-155.3-100.8 133.5 -17.9 -12.2 20.0 35 41 A L E -cd 64 105A 0 28,-2.6 30,-1.8 -2,-0.4 2,-0.5 -0.945 5.6-168.1-110.1 129.1 -15.7 -14.9 21.7 36 42 A L E -cd 65 106A 2 69,-3.0 71,-2.0 -2,-0.5 30,-0.1 -0.968 17.7-143.0-120.7 112.8 -14.1 -14.2 25.1 37 43 A H - 0 0 0 28,-0.6 73,-0.7 -2,-0.5 8,-0.1 0.037 20.8 -85.2 -73.3 176.1 -11.5 -16.7 26.3 38 44 A G - 0 0 4 6,-0.2 70,-0.1 71,-0.2 -1,-0.1 -0.082 34.4-112.1 -75.9 176.4 -10.5 -18.2 29.6 39 45 A G + 0 0 14 3,-0.0 -1,-0.1 31,-0.0 69,-0.1 0.212 58.9 133.7-105.0 15.0 -8.3 -16.8 32.3 40 46 A G > - 0 0 17 1,-0.1 3,-1.9 2,-0.1 112,-0.0 -0.284 67.6-111.4 -59.3 150.4 -5.1 -19.0 32.5 41 47 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 158,-0.1 0.828 116.6 35.2 -58.0 -36.1 -2.0 -16.9 32.7 42 48 A G T 3 S+ 0 0 6 28,-0.1 2,-0.2 2,-0.0 148,-0.1 0.082 94.1 125.1-104.5 23.2 -0.7 -17.9 29.2 43 49 A A < + 0 0 7 -3,-1.9 28,-0.8 4,-0.1 2,-0.3 -0.518 29.5 164.1 -84.2 149.3 -4.2 -18.1 27.7 44 50 A A > - 0 0 17 -2,-0.2 4,-2.4 26,-0.1 5,-0.2 -0.926 48.5 -96.5-153.6 173.6 -5.3 -16.2 24.6 45 51 A S H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 -1,-0.1 0.950 118.1 48.2 -61.2 -54.8 -8.0 -16.1 22.0 46 52 A W H 4 S+ 0 0 42 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.829 117.2 40.8 -62.8 -33.3 -6.2 -18.1 19.4 47 53 A T H >4 S+ 0 0 22 2,-0.2 3,-1.0 1,-0.1 4,-0.3 0.945 115.4 50.7 -78.8 -46.8 -5.1 -20.9 21.7 48 54 A N H 3< S+ 0 0 6 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.880 122.0 30.5 -53.9 -44.2 -8.4 -21.1 23.6 49 55 A F T >X S+ 0 0 1 -4,-2.6 4,-3.0 -5,-0.2 3,-1.2 -0.045 76.4 117.4-113.4 32.9 -10.5 -21.3 20.5 50 56 A S T <4 S+ 0 0 38 -3,-1.0 4,-0.5 1,-0.3 -1,-0.1 0.873 81.9 49.1 -68.4 -35.4 -8.5 -23.1 17.8 51 57 A R T 34 S+ 0 0 57 -4,-0.3 -1,-0.3 -3,-0.2 223,-0.1 0.361 124.3 34.7 -81.6 8.4 -10.9 -26.1 17.6 52 58 A N T <> S+ 0 0 0 -3,-1.2 4,-2.8 3,-0.1 3,-0.4 0.705 96.7 68.4-129.6 -48.1 -13.7 -23.6 17.3 53 59 A I H X S+ 0 0 4 -4,-3.0 4,-1.7 1,-0.2 -3,-0.1 0.886 103.7 47.6 -51.0 -47.0 -13.0 -20.3 15.4 54 60 A A H 4 S+ 0 0 51 -4,-0.5 4,-0.3 -5,-0.3 -1,-0.2 0.839 115.1 46.9 -66.0 -34.0 -12.6 -21.9 12.0 55 61 A V H >4 S+ 0 0 29 -3,-0.4 3,-1.3 2,-0.2 4,-0.4 0.930 112.8 46.1 -73.1 -47.3 -15.8 -23.9 12.5 56 62 A L H >X S+ 0 0 4 -4,-2.8 4,-3.0 1,-0.3 3,-1.3 0.804 103.2 67.6 -66.7 -25.2 -17.9 -21.0 13.8 57 63 A A T 3< S+ 0 0 12 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.681 87.0 66.2 -71.6 -15.6 -16.6 -18.9 10.9 58 64 A R T <4 S+ 0 0 179 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.794 120.1 21.8 -69.8 -27.2 -18.4 -21.0 8.4 59 65 A H T <4 S+ 0 0 92 -3,-1.3 -28,-0.4 -4,-0.4 2,-0.2 0.709 124.8 35.7-110.2 -30.4 -21.6 -19.7 10.0 60 66 A F S < S- 0 0 4 -4,-3.0 2,-0.9 -30,-0.1 -28,-0.2 -0.768 75.0-108.1-128.9 165.8 -20.8 -16.4 11.7 61 67 A H E - c 0 32A 24 -30,-2.4 -28,-2.6 -2,-0.2 2,-0.4 -0.883 50.0-153.4 -90.4 103.6 -18.7 -13.3 11.6 62 68 A V E -Bc 25 33A 1 -37,-1.5 -37,-1.9 -2,-0.9 2,-0.5 -0.697 23.6-178.2 -93.3 125.7 -16.3 -14.2 14.5 63 69 A L E -Bc 24 34A 2 -30,-2.5 -28,-2.6 -2,-0.4 2,-0.8 -0.944 7.3-172.7-117.5 104.4 -14.5 -11.6 16.6 64 70 A A E -Bc 23 35A 0 -41,-2.6 -41,-2.6 -2,-0.5 2,-0.4 -0.890 14.6-158.2 -99.7 107.8 -12.3 -13.4 19.2 65 71 A V E -Bc 22 36A 4 -30,-1.8 -28,-0.6 -2,-0.8 2,-0.6 -0.757 17.0-135.7 -98.3 130.8 -11.0 -10.8 21.5 66 72 A D - 0 0 1 -45,-3.0 -45,-0.4 -2,-0.4 3,-0.1 -0.713 34.8-130.6 -77.1 118.5 -7.9 -11.0 23.7 67 73 A Q > - 0 0 4 -2,-0.6 3,-2.1 1,-0.1 6,-0.3 -0.344 35.3 -77.7 -72.7 153.7 -9.1 -9.6 27.0 68 74 A P T 3 S+ 0 0 3 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.260 122.1 26.7 -53.6 130.6 -7.0 -6.9 28.8 69 75 A G T 3 S+ 0 0 10 5,-2.3 2,-0.3 1,-0.3 6,-0.2 0.404 111.9 83.2 97.2 -0.5 -4.1 -8.5 30.5 70 76 A Y S X S- 0 0 6 -3,-2.1 3,-2.2 4,-0.3 -1,-0.3 -0.913 87.0 -14.1-135.0 161.6 -3.9 -11.4 28.1 71 77 A G T 3 S- 0 0 19 -28,-0.8 -27,-0.1 -2,-0.3 4,-0.0 -0.264 122.5 -26.4 53.8-123.8 -2.5 -12.4 24.7 72 78 A H T 3 S+ 0 0 104 -51,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.151 108.8 108.6-110.3 17.6 -1.5 -9.3 22.7 73 79 A S S < S- 0 0 4 -3,-2.2 -53,-0.2 -6,-0.3 -4,-0.1 -0.544 86.9 -74.2 -87.1 159.8 -3.8 -6.8 24.4 74 80 A D - 0 0 53 -55,-2.9 -5,-2.3 -2,-0.2 2,-0.5 -0.187 40.4-150.5 -52.8 141.2 -2.5 -4.2 26.8 75 81 A K - 0 0 51 -7,-0.2 -1,-0.1 -6,-0.2 123,-0.1 -0.741 17.5-167.9-118.5 83.0 -1.4 -5.6 30.2 76 82 A R - 0 0 62 -2,-0.5 125,-0.1 1,-0.1 3,-0.1 -0.342 23.3-139.2 -70.5 150.0 -1.9 -2.8 32.7 77 83 A A S S+ 0 0 67 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.465 86.1 38.1 -83.5 -5.5 -0.6 -3.1 36.2 78 84 A E + 0 0 156 127,-0.0 2,-0.3 124,-0.0 -1,-0.1 -0.989 62.2 136.0-155.1 137.3 -3.7 -1.6 37.7 79 85 A H - 0 0 39 -2,-0.3 3,-0.2 122,-0.2 126,-0.0 -0.952 44.4-101.0-171.7 161.3 -7.5 -1.7 37.2 80 86 A G S S- 0 0 38 -2,-0.3 5,-0.2 1,-0.3 125,-0.1 0.050 84.6 -22.0 -76.0-167.6 -10.8 -2.0 39.0 81 87 A Q S > S- 0 0 1 1,-0.1 4,-2.0 3,-0.1 3,-0.3 -0.154 74.4-128.8 -41.1 125.3 -12.8 -5.2 39.3 82 88 A F H > S+ 0 0 3 120,-0.3 4,-3.1 1,-0.2 5,-0.3 0.863 101.1 48.7 -56.1 -44.6 -11.5 -7.2 36.3 83 89 A N H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 113.0 48.0 -67.2 -37.5 -14.8 -8.1 34.7 84 90 A R H > S+ 0 0 79 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.846 113.9 49.4 -67.4 -36.2 -16.1 -4.5 34.9 85 91 A Y H X S+ 0 0 7 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.935 112.5 45.0 -67.2 -50.7 -12.8 -3.3 33.5 86 92 A A H X S+ 0 0 3 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.835 110.5 57.0 -63.5 -31.2 -12.8 -5.8 30.6 87 93 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.903 103.3 52.6 -65.5 -42.5 -16.4 -4.9 30.0 88 94 A M H X S+ 0 0 65 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.886 109.2 50.5 -60.2 -40.3 -15.6 -1.2 29.6 89 95 A A H X S+ 0 0 1 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.856 108.8 50.7 -66.3 -36.0 -13.0 -2.2 27.0 90 96 A L H X S+ 0 0 6 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.895 107.4 53.8 -70.1 -36.0 -15.5 -4.3 25.1 91 97 A K H X S+ 0 0 57 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.937 107.7 50.9 -62.3 -45.5 -17.9 -1.4 25.1 92 98 A G H X S+ 0 0 15 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.896 111.8 47.9 -56.1 -42.2 -15.2 0.7 23.5 93 99 A L H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.902 109.4 51.7 -66.9 -44.0 -14.6 -1.9 20.9 94 100 A F H X>S+ 0 0 1 -4,-2.7 5,-2.7 1,-0.2 4,-0.9 0.928 110.9 48.8 -57.1 -48.1 -18.3 -2.3 20.1 95 101 A D H <5S+ 0 0 80 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.898 113.6 46.4 -60.6 -41.8 -18.7 1.5 19.6 96 102 A Q H <5S+ 0 0 107 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.801 114.3 44.8 -75.7 -30.7 -15.6 1.7 17.3 97 103 A L H <5S- 0 0 66 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.555 113.5-116.0 -90.2 -4.8 -16.5 -1.2 15.1 98 104 A G T <5 + 0 0 65 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.844 56.1 160.2 77.8 36.6 -20.1 -0.1 14.8 99 105 A L < - 0 0 24 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.679 18.5-176.5 -92.1 145.0 -21.7 -3.1 16.6 100 106 A G - 0 0 45 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.761 66.0 -9.1 -99.7 -92.6 -25.2 -2.9 18.0 101 107 A R S S+ 0 0 164 24,-0.1 24,-0.3 2,-0.0 -1,-0.2 -0.958 76.2 174.4-115.5 110.2 -26.6 -5.9 19.9 102 108 A V E - e 0 125A 8 22,-2.2 24,-2.6 -2,-0.6 -69,-0.1 -0.902 31.3-114.9-123.1 146.0 -24.3 -8.9 19.5 103 109 A P E - 0 0 10 0, 0.0 -69,-2.0 0, 0.0 2,-0.4 -0.469 31.1-146.3 -74.6 150.7 -24.3 -12.4 21.0 104 110 A L E -de 34 128A 0 23,-1.9 25,-2.4 -71,-0.2 2,-0.5 -0.958 13.6-166.5-126.3 136.8 -21.4 -13.3 23.3 105 111 A V E +de 35 129A 0 -71,-3.0 -69,-3.0 -2,-0.4 2,-0.4 -0.984 23.9 164.1-119.7 118.2 -19.6 -16.6 23.8 106 112 A G E -de 36 130A 0 23,-2.5 25,-1.8 -2,-0.5 2,-0.4 -0.990 22.7-156.5-143.6 135.0 -17.3 -16.7 26.9 107 113 A N E > - e 0 131A 1 -71,-2.0 3,-1.9 -2,-0.4 4,-0.3 -0.857 60.5 -36.0-110.7 145.7 -15.6 -19.3 29.0 108 114 A A T >> S+ 0 0 4 23,-2.7 26,-2.0 -2,-0.4 4,-1.6 -0.178 137.2 7.6 52.4-125.5 -14.4 -19.1 32.6 109 115 A L H 3> S+ 0 0 21 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.905 133.3 57.0 -53.6 -40.0 -13.2 -15.5 33.3 110 116 A G H <> S+ 0 0 0 -3,-1.9 4,-2.1 -73,-0.7 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88.4 -20.2 -22.6 44.5 140 146 A L S S+ 0 0 87 -2,-1.5 -1,-0.2 101,-0.7 102,-0.1 0.755 82.4 17.0 -58.5 -27.4 -23.0 -23.7 46.9 141 147 A F S S+ 0 0 171 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.733 104.3 85.5-115.0 -35.9 -21.1 -26.9 48.0 142 148 A A S S- 0 0 24 1,-0.1 -3,-0.1 97,-0.1 4,-0.1 -0.546 78.9-118.9 -76.8 128.7 -17.4 -26.6 47.1 143 149 A P - 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.379 46.0 -93.0 -63.5 142.5 -15.2 -24.8 49.6 144 150 A D S S+ 0 0 105 2,-0.1 2,-0.2 -5,-0.1 3,-0.0 -0.843 106.0 43.9-108.0 143.2 -13.5 -21.7 48.1 145 151 A P S S- 0 0 74 0, 0.0 -1,-0.1 0, 0.0 92,-0.0 0.566 90.5-145.7 -73.0 144.0 -11.0 -21.2 46.8 146 152 A T > - 0 0 8 91,-0.3 4,-2.9 -2,-0.2 5,-0.2 -0.169 28.9 -96.2 -66.5 170.9 -11.4 -24.4 44.7 147 153 A E H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.924 125.5 51.4 -55.9 -48.3 -8.5 -26.6 43.8 148 154 A G H > S+ 0 0 1 88,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.902 111.9 45.5 -58.4 -44.2 -8.3 -24.9 40.3 149 155 A V H > S+ 0 0 57 87,-0.3 4,-2.3 88,-0.3 -1,-0.2 0.919 112.7 52.0 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143.7 -74.3 70.6 5.9 -19.1 38.6 160 166 A T > - 0 0 58 -2,-2.3 4,-1.9 1,-0.1 5,-0.2 -0.717 63.1-117.7-104.5 156.7 7.7 -22.5 37.9 161 167 A R H > S+ 0 0 75 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.873 116.3 55.0 -55.7 -37.3 7.2 -25.0 35.1 162 168 A E H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 108.9 44.6 -62.6 -49.4 6.2 -27.5 37.8 163 169 A N H > S+ 0 0 25 -5,-0.2 4,-1.5 2,-0.2 -8,-0.2 0.816 112.0 52.7 -68.8 -30.1 3.5 -25.4 39.3 164 170 A L H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.938 107.2 51.6 -70.9 -44.7 2.1 -24.5 35.9 165 171 A E H X S+ 0 0 61 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.930 108.4 52.7 -54.0 -44.6 1.8 -28.2 34.9 166 172 A A H X S+ 0 0 26 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.878 110.8 47.5 -58.6 -40.9 -0.1 -28.8 38.1 167 173 A F H >< S+ 0 0 12 -4,-1.5 3,-1.2 -16,-0.2 -2,-0.2 0.925 110.8 50.6 -63.2 -49.3 -2.5 -26.0 37.2 168 174 A L H >< S+ 0 0 5 -4,-2.6 3,-1.9 1,-0.3 4,-0.4 0.861 102.0 62.8 -60.9 -34.6 -3.1 -27.2 33.7 169 175 A R H 3< S+ 0 0 89 -4,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.700 100.2 51.9 -68.7 -21.1 -3.8 -30.8 34.9 170 176 A V T << S+ 0 0 8 -3,-1.2 66,-0.5 -4,-0.6 -1,-0.3 0.250 95.1 73.3 -96.7 13.7 -6.9 -29.6 36.8 171 177 A M S < S+ 0 0 5 -3,-1.9 93,-1.7 91,-0.1 2,-0.3 0.613 100.2 42.5 -89.6 -17.4 -8.2 -27.9 33.7 172 178 A V - 0 0 7 -4,-0.4 3,-0.1 -3,-0.4 89,-0.1 -0.890 62.2-143.6-131.8 157.3 -9.2 -31.2 31.9 173 179 A Y S S+ 0 0 109 -2,-0.3 2,-1.3 1,-0.2 -1,-0.1 0.900 100.4 57.4 -79.1 -48.9 -10.7 -34.5 32.6 174 180 A D S > S- 0 0 72 1,-0.2 3,-2.4 86,-0.1 -1,-0.2 -0.683 71.8-169.5 -85.0 92.9 -8.4 -36.3 30.2 175 181 A K G > S+ 0 0 95 -2,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.637 75.8 81.0 -63.5 -12.0 -5.0 -35.4 31.7 176 182 A N G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.674 77.4 71.5 -65.5 -15.5 -3.3 -36.8 28.7 177 183 A L G < S+ 0 0 47 -3,-2.4 2,-1.6 1,-0.2 -1,-0.3 0.708 77.7 84.7 -71.4 -18.9 -4.2 -33.5 27.0 178 184 A I < + 0 0 11 -3,-1.6 -1,-0.2 -4,-0.2 -9,-0.1 -0.628 68.5 173.4 -86.5 83.4 -1.5 -31.9 29.2 179 185 A T > - 0 0 26 -2,-1.6 4,-2.5 1,-0.1 5,-0.2 -0.412 47.6-109.0 -87.4 162.3 1.6 -32.7 27.0 180 186 A P H > S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.863 121.2 53.2 -55.6 -37.3 5.2 -31.5 27.5 181 187 A E H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.890 109.2 45.9 -67.6 -40.9 4.7 -29.3 24.4 182 188 A L H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.932 113.2 50.8 -66.8 -45.3 1.5 -27.6 25.8 183 189 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.930 113.2 45.1 -54.8 -48.4 3.1 -27.1 29.2 184 190 A D H X S+ 0 0 60 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.920 113.2 49.2 -65.8 -44.6 6.2 -25.5 27.6 185 191 A Q H X S+ 0 0 22 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.945 114.7 44.7 -59.3 -47.0 4.3 -23.2 25.3 186 192 A R H X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 3,-0.3 0.905 112.1 53.3 -65.5 -39.2 2.0 -22.0 28.1 187 193 A F H X S+ 0 0 52 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.869 103.6 55.0 -63.6 -40.3 4.9 -21.5 30.4 188 194 A A H < S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.840 116.5 38.4 -64.4 -32.8 6.9 -19.3 28.0 189 195 A L H >< S+ 0 0 75 -4,-1.2 3,-0.6 -3,-0.3 6,-0.3 0.848 116.8 50.8 -81.3 -35.7 3.9 -17.0 27.7 190 196 A A H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.701 107.6 50.2 -79.9 -19.1 2.8 -17.2 31.4 191 197 A S T 3< S+ 0 0 41 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 0.404 82.0 113.8-105.4 3.1 6.2 -16.4 33.0 192 198 A T S <> S- 0 0 34 -3,-0.6 4,-1.9 -4,-0.2 5,-0.2 -0.172 81.5-105.8 -66.1 166.0 7.1 -13.3 31.0 193 199 A P H > S+ 0 0 97 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.934 118.5 51.4 -60.3 -48.3 7.3 -9.9 32.7 194 200 A E H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.887 110.0 48.9 -55.5 -45.0 4.0 -8.7 31.3 195 201 A S H > S+ 0 0 2 -6,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.890 109.2 50.2 -68.4 -38.7 2.0 -11.7 32.3 196 202 A L H X S+ 0 0 56 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.925 110.7 52.3 -64.1 -42.0 3.2 -11.8 35.9 197 203 A T H X S+ 0 0 62 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.950 113.5 43.9 -53.8 -53.6 2.3 -8.1 36.0 198 204 A A H X S+ 0 0 9 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.938 109.0 54.3 -60.3 -52.9 -1.2 -8.9 34.8 199 205 A T H >X S+ 0 0 16 -4,-3.0 4,-1.6 1,-0.2 3,-0.7 0.939 106.8 51.6 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0.930 113.0 47.2 -65.0 -49.5 5.0 -24.6 17.4 468 191 B Q H X S+ 0 0 51 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.939 115.4 45.2 -60.8 -45.5 7.2 -26.5 19.8 469 192 B R H X S+ 0 0 13 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.896 112.8 51.0 -63.9 -39.4 8.3 -28.9 17.2 470 193 B F H X S+ 0 0 51 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.918 104.5 58.2 -64.1 -40.0 8.9 -26.1 14.6 471 194 B A H < S+ 0 0 56 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.899 115.3 36.1 -56.1 -43.8 11.0 -24.2 17.0 472 195 B L H >< S+ 0 0 90 -4,-1.4 3,-0.7 -5,-0.2 -147,-0.2 0.865 117.9 49.8 -78.7 -35.2 13.3 -27.1 17.3 473 196 B A H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 -149,-0.2 -1,-0.2 0.707 102.0 60.1 -82.5 -21.0 13.2 -28.3 13.8 474 197 B S T 3< S+ 0 0 40 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.1 0.472 74.6 117.0 -89.7 -0.1 13.8 -25.0 12.1 475 198 B T S X> S- 0 0 49 -3,-0.7 4,-2.7 -4,-0.2 3,-0.6 -0.389 75.1-120.9 -62.1 143.3 17.3 -24.4 13.6 476 199 B P H 3> S+ 0 0 104 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.857 113.4 52.5 -51.5 -38.1 20.1 -24.2 11.1 477 200 B E H 3> S+ 0 0 114 2,-0.2 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7.4 527 250 B L H <> S+ 0 0 79 -3,-1.0 4,-2.3 -4,-0.2 5,-0.2 0.884 86.0 46.6 -72.2 -47.3 6.0 -58.6 5.1 528 251 B V H > S+ 0 0 34 -4,-0.3 4,-2.3 -107,-0.3 -1,-0.2 0.929 117.4 45.6 -62.4 -43.1 9.6 -59.5 4.1 529 252 B A H > S+ 0 0 0 -4,-0.4 4,-2.1 -110,-0.3 -2,-0.2 0.888 111.0 51.3 -67.8 -40.9 10.7 -59.1 7.7 530 253 B L H < S+ 0 0 70 -4,-2.3 6,-0.2 1,-0.2 -1,-0.2 0.925 116.2 43.9 -58.9 -42.7 7.8 -61.2 9.1 531 254 B K H < S+ 0 0 179 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.898 120.8 35.5 -69.3 -43.4 8.6 -63.9 6.6 532 255 B T H < S+ 0 0 49 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.695 92.0 87.8 -95.0 -22.9 12.4 -64.1 6.9 533 256 B I >< - 0 0 2 -4,-2.1 3,-2.0 -5,-0.2 -29,-0.1 -0.693 69.8-149.3 -77.5 109.6 13.0 -63.4 10.6 534 257 B P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -27,-0.1 0.862 92.5 35.1 -50.8 -45.9 12.8 -66.9 12.1 535 258 B R T 3 S+ 0 0 144 -27,-0.4 -25,-1.5 -29,-0.3 2,-0.1 -0.047 91.2 141.1-103.3 35.5 11.6 -65.8 15.6 536 259 B A E < -n 510 0B 23 -3,-2.0 2,-0.3 -6,-0.2 -25,-0.2 -0.397 27.1-177.1 -74.1 147.5 9.4 -62.9 14.3 537 260 B Q E -n 511 0B 103 -27,-2.2 -25,-2.9 -2,-0.1 2,-0.4 -0.946 10.3-153.6-131.0 156.8 6.0 -61.9 15.6 538 261 B L E -n 512 0B 57 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.998 8.9-173.1-134.0 131.1 3.8 -59.1 14.3 539 262 B H E -n 513 0B 74 -27,-2.7 -25,-2.8 -2,-0.4 2,-0.5 -0.993 7.6-169.8-118.9 127.7 1.1 -57.0 16.1 540 263 B V E -n 514 0B 52 -2,-0.4 2,-0.6 -27,-0.2 -25,-0.2 -0.966 7.4-154.7-117.5 129.2 -1.1 -54.6 14.1 541 264 B F E -n 515 0B 20 -27,-2.5 -25,-3.1 -2,-0.5 -24,-0.4 -0.905 11.6-140.5-102.0 122.8 -3.3 -52.0 15.7 542 265 B G S S+ 0 0 27 -2,-0.6 3,-0.1 1,-0.2 -27,-0.0 -0.492 86.8 30.2 -70.4 153.2 -6.4 -50.8 13.8 543 266 B Q S S+ 0 0 116 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.926 99.3 110.6 60.4 51.8 -7.1 -47.0 14.2 544 267 B C - 0 0 0 -3,-0.4 -27,-2.0 -88,-0.1 -1,-0.2 -0.969 48.1-160.5-157.9 131.7 -3.5 -46.1 14.7 545 268 B G - 0 0 1 -2,-0.3 -27,-0.3 2,-0.2 -90,-0.2 0.053 53.4 -56.4 -95.0-152.9 -0.9 -44.3 12.6 546 269 B H S S+ 0 0 11 -29,-0.3 2,-1.2 -93,-0.3 3,-0.2 0.699 120.1 71.4 -65.6 -24.4 2.9 -44.1 12.5 547 270 B W >> + 0 0 29 -93,-1.5 4,-2.4 1,-0.2 3,-1.5 -0.504 56.5 160.9 -93.3 68.0 3.2 -43.0 16.2 548 271 B V H 3> S+ 0 0 0 -2,-1.2 4,-2.0 1,-0.3 8,-0.2 0.868 70.8 58.5 -54.0 -41.8 2.2 -46.3 17.8 549 272 B Q H 34 S+ 0 0 1 -3,-0.2 -1,-0.3 1,-0.2 8,-0.1 0.712 115.3 37.1 -67.3 -18.7 3.8 -45.4 21.1 550 273 B V H X4 S+ 0 0 21 -3,-1.5 3,-1.1 2,-0.1 -2,-0.2 0.890 119.4 40.5 -94.2 -54.3 1.5 -42.4 21.3 551 274 B E H 3< S+ 0 0 34 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.760 132.6 25.6 -73.7 -25.5 -1.8 -43.4 19.8 552 275 B K T 3X S+ 0 0 42 -4,-2.0 4,-2.8 -5,-0.4 -1,-0.3 -0.285 78.8 147.4-127.2 47.2 -1.8 -46.8 21.5 553 276 B F H <> S+ 0 0 56 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.838 70.3 45.9 -60.8 -36.2 0.4 -46.1 24.4 554 277 B D H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 116.3 43.5 -74.6 -43.5 -1.2 -48.5 27.0 555 278 B E H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.901 115.9 49.8 -66.1 -39.7 -1.4 -51.4 24.6 556 279 B F H X S+ 0 0 1 -4,-2.8 4,-2.2 -8,-0.2 -2,-0.2 0.918 110.8 49.3 -63.3 -44.9 2.1 -50.7 23.4 557 280 B N H X S+ 0 0 3 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.906 113.8 45.2 -62.7 -43.5 3.5 -50.5 27.0 558 281 B K H X S+ 0 0 129 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.913 112.7 50.4 -68.4 -39.9 1.9 -53.7 28.0 559 282 B L H X S+ 0 0 46 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.868 113.6 46.6 -65.0 -36.6 3.0 -55.6 24.9 560 283 B T H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.921 110.4 50.5 -71.5 -45.5 6.6 -54.4 25.4 561 284 B I H < S+ 0 0 32 -4,-2.2 4,-0.2 -5,-0.2 -2,-0.2 0.908 114.7 45.3 -61.3 -40.1 6.8 -55.2 29.1 562 285 B E H >< S+ 0 0 151 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.948 112.5 49.2 -66.7 -51.9 5.5 -58.8 28.4 563 286 B F H 3< S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.862 111.9 48.7 -57.4 -39.8 7.7 -59.4 25.4 564 287 B L T 3< 0 0 8 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.415 360.0 360.0 -87.8 5.9 10.9 -58.3 27.3 565 288 B G < 0 0 89 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.572 360.0 360.0 77.2 360.0 10.0 -60.4 30.3