==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-MAY-12 4ATY . COMPND 2 MOLECULE: TEREPHTHALATE 1,2-CIS-DIHYDRODIOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS LB400; . AUTHOR J.BAINS,M.J.BOULANGER . 307 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 4.9 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 . 1 0.3 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 . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 0 2 1 0 2 1 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 3 0 0 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 . 1 0 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 0 0 0 1 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 11 A R 0 0 297 0, 0.0 2,-0.4 0, 0.0 184,-0.0 0.000 360.0 360.0 360.0-170.4 29.4 17.8 26.8 2 12 A A - 0 0 56 28,-0.1 2,-0.2 2,-0.0 184,-0.1 -0.990 360.0-145.7-135.1 131.5 28.9 14.5 28.5 3 13 A M - 0 0 12 -2,-0.4 2,-0.6 306,-0.1 306,-0.0 -0.611 17.8-131.9 -77.3 152.6 25.8 12.3 28.4 4 14 A T - 0 0 49 -2,-0.2 101,-3.3 26,-0.2 102,-1.4 -0.955 23.5-162.4-107.4 128.0 24.9 10.3 31.4 5 15 A V E -a 106 0A 0 -2,-0.6 28,-2.5 100,-0.2 2,-0.5 -0.933 8.7-149.8-115.3 120.1 24.2 6.7 30.7 6 16 A A E -ab 107 33A 0 100,-2.7 102,-3.3 -2,-0.5 2,-0.7 -0.757 7.4-159.1 -83.2 128.7 22.3 4.2 32.9 7 17 A L E -ab 108 34A 0 26,-2.3 28,-2.8 -2,-0.5 2,-0.7 -0.934 5.1-155.2-105.9 108.0 23.3 0.6 32.6 8 18 A A E -ab 109 35A 0 100,-2.2 102,-2.6 -2,-0.7 28,-0.2 -0.785 19.3-136.7 -81.2 119.5 20.5 -1.6 33.9 9 19 A I - 0 0 0 26,-2.1 11,-0.2 -2,-0.7 -1,-0.1 0.476 27.2-145.7 -69.9 -6.2 22.5 -4.7 34.9 10 20 A G + 0 0 2 78,-0.3 102,-0.2 6,-0.2 -1,-0.2 -0.403 61.7 8.4 78.8-153.3 20.3 -7.3 33.5 11 21 A D > - 0 0 0 100,-2.0 3,-1.3 1,-0.2 5,-0.4 -0.488 65.9-146.6 -71.1 125.1 19.7 -10.6 35.0 12 22 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 73,-0.1 0.875 99.7 49.6 -60.9 -36.1 21.5 -10.6 38.4 13 23 A N T 3 S+ 0 0 2 68,-0.1 65,-0.6 66,-0.1 278,-0.1 0.531 109.1 69.1 -77.2 -6.3 22.4 -14.3 38.1 14 24 A G S < S- 0 0 0 -3,-1.3 4,-0.3 97,-0.1 278,-0.2 -0.033 103.4 -82.1 -95.9-159.2 23.8 -13.7 34.6 15 25 A I S > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.1 5,-0.3 0.569 100.7 91.0 -83.6 -11.7 26.7 -12.0 33.0 16 26 A G H > S+ 0 0 0 -5,-0.4 4,-3.2 95,-0.3 5,-0.2 0.932 84.9 46.9 -52.0 -56.9 25.1 -8.5 33.0 17 27 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.875 112.0 54.1 -55.3 -39.2 26.4 -7.3 36.3 18 28 A E H > S+ 0 0 1 -4,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.984 114.1 38.0 -62.5 -54.9 29.9 -8.5 35.5 19 29 A I H X S+ 0 0 7 -4,-2.2 4,-3.5 2,-0.2 5,-0.2 0.857 112.8 58.9 -67.0 -30.7 30.1 -6.7 32.1 20 30 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 -5,-0.3 -1,-0.2 0.966 112.3 39.3 -60.7 -49.7 28.3 -3.6 33.6 21 31 A V H X S+ 0 0 2 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.922 116.1 52.3 -63.8 -41.5 31.0 -3.3 36.3 22 32 A K H X S+ 0 0 28 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.944 111.7 45.9 -59.8 -46.2 33.7 -4.2 33.7 23 33 A A H < S+ 0 0 0 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.938 114.3 48.1 -59.7 -50.0 32.4 -1.5 31.3 24 34 A A H < S+ 0 0 9 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.851 107.6 55.4 -61.1 -36.3 32.2 1.1 34.1 25 35 A A H < S+ 0 0 48 -4,-2.6 2,-1.2 -5,-0.2 -1,-0.2 0.950 99.4 63.7 -63.3 -48.7 35.7 0.2 35.3 26 36 A Q < 0 0 112 -4,-2.0 -1,-0.2 -5,-0.2 -4,-0.0 -0.671 360.0 360.0 -68.0 96.2 37.1 1.0 31.9 27 37 A M 0 0 132 -2,-1.2 -3,-0.0 2,-0.0 0, 0.0 -0.634 360.0 360.0 125.1 360.0 36.1 4.7 32.0 28 ! 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 29 53 A Q 0 0 120 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 59.0 33.0 10.8 27.1 30 54 A P 0 0 31 0, 0.0 -26,-0.2 0, 0.0 -28,-0.1 -0.096 360.0 360.0 -75.0 360.0 29.9 9.8 29.2 31 ! 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 32 56 A I 0 0 32 0, 0.0 31,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.0 28.1 5.9 33.6 33 57 A V E -bc 6 63A 26 -28,-2.5 -26,-2.3 29,-0.1 31,-0.2 -0.984 360.0-143.1-134.0 118.9 25.6 5.0 36.4 34 58 A L E -bc 7 64A 0 29,-2.5 31,-3.2 -2,-0.4 2,-0.5 -0.585 7.5-158.0 -85.6 144.2 24.7 1.4 37.2 35 59 A F E +bc 8 65A 7 -28,-2.8 -26,-2.1 -2,-0.2 2,-0.3 -0.981 45.7 85.3-122.8 119.4 21.2 0.4 38.1 36 60 A G E S- c 0 66A 0 29,-1.8 31,-2.2 -2,-0.5 2,-0.4 -0.975 84.7 -43.0 173.6 176.1 20.8 -2.8 40.1 37 61 A D >> - 0 0 4 -2,-0.3 4,-1.9 29,-0.2 3,-0.8 -0.613 51.0-140.8 -63.9 121.9 20.9 -4.5 43.5 38 62 A A H 3> S+ 0 0 2 -2,-0.4 4,-3.0 1,-0.3 5,-0.2 0.851 100.4 56.0 -56.2 -33.9 23.9 -3.0 45.2 39 63 A F H 3> S+ 0 0 80 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.859 107.0 50.0 -69.8 -30.8 24.8 -6.4 46.7 40 64 A V H <> S+ 0 0 6 -3,-0.8 4,-1.1 2,-0.2 3,-0.3 0.953 113.6 44.4 -68.9 -49.5 24.9 -8.0 43.2 41 65 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 3,-0.3 0.898 109.8 55.9 -62.4 -46.1 27.1 -5.2 41.8 42 66 A R H X S+ 0 0 90 -4,-3.0 4,-2.2 1,-0.2 5,-0.3 0.840 98.7 61.8 -55.8 -36.8 29.5 -5.3 44.8 43 67 A R H X S+ 0 0 116 -4,-1.4 4,-0.9 -3,-0.3 -1,-0.2 0.935 112.7 37.6 -54.9 -45.2 30.1 -9.0 44.4 44 68 A Y H X S+ 0 0 4 -4,-1.1 4,-0.9 -3,-0.3 -2,-0.2 0.886 113.0 55.1 -78.0 -37.6 31.5 -8.2 41.0 45 69 A A H >X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 3,-0.9 0.917 104.7 51.4 -60.7 -49.7 33.3 -5.0 41.8 46 70 A R H 3< S+ 0 0 178 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.919 104.8 60.8 -53.4 -44.7 35.4 -6.4 44.7 47 71 A Q H 3< S+ 0 0 90 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.737 124.5 15.4 -50.2 -38.3 36.5 -9.2 42.3 48 72 A C H << 0 0 58 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.450 360.0 360.0-124.4 3.8 38.1 -6.7 39.9 49 73 A C < 0 0 68 -4,-2.7 3,-0.1 -5,-0.1 -4,-0.0 -0.359 360.0 360.0-130.0 360.0 38.5 -3.3 41.7 50 ! 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 51 76 A L 0 0 151 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 174.9 37.8 1.6 42.9 52 77 A M - 0 0 125 -3,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.219 360.0-158.5 -60.6 160.5 35.2 3.4 45.0 53 78 A L - 0 0 47 2,-0.0 2,-0.5 11,-0.0 10,-0.2 -0.924 11.8-167.2-139.3 127.4 31.6 2.5 44.5 54 79 A R E -d 63 0A 78 8,-1.6 10,-2.4 -2,-0.4 2,-0.4 -0.968 19.0-135.9-120.3 135.4 29.2 5.1 45.6 55 80 A L E d 64 0A 79 -2,-0.5 10,-0.2 8,-0.2 -2,-0.0 -0.739 360.0 360.0 -77.2 133.0 25.6 4.7 46.0 56 81 A V 0 0 74 8,-2.3 10,-0.4 -2,-0.4 3,-0.1 -0.800 360.0 360.0-132.7 360.0 24.0 7.8 44.5 57 ! 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 58 87 A P 0 0 138 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-169.0 21.2 14.0 42.0 59 88 A S 0 0 109 1,-0.1 44,-0.0 -3,-0.1 0, 0.0 -0.497 360.0 360.0-143.1-161.6 24.8 13.9 40.9 60 89 A A 0 0 110 -2,-0.2 -1,-0.1 -4,-0.0 -4,-0.0 0.088 360.0 360.0 137.4 360.0 28.4 14.3 41.4 61 ! 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 62 94 A I 0 0 34 0, 0.0 -8,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.7 32.0 3.6 39.8 63 95 A D E +cd 33 54A 35 -31,-0.6 -29,-2.5 -10,-0.2 2,-0.3 -0.896 360.0 175.0-108.4 138.3 28.6 5.1 40.5 64 96 A M E -cd 34 55A 0 -10,-2.4 -8,-2.3 -2,-0.4 2,-0.5 -0.998 27.6-143.7-143.5 148.0 25.5 3.1 41.2 65 97 A V E -c 35 0A 41 -31,-3.2 -29,-1.8 -2,-0.3 2,-0.4 -0.950 29.9-129.5-106.5 123.7 21.9 3.5 42.1 66 98 A D E -c 36 0A 75 -2,-0.5 2,-0.6 -10,-0.4 -29,-0.2 -0.599 23.7-174.4 -77.0 123.8 20.6 0.7 44.4 67 99 A V - 0 0 18 -31,-2.2 2,-0.7 -2,-0.4 24,-0.1 -0.983 19.9-143.4-119.6 108.8 17.4 -0.7 43.0 68 100 A A + 0 0 84 -2,-0.6 -31,-0.1 1,-0.2 -2,-0.0 -0.685 55.0 110.7 -86.3 113.7 16.2 -3.2 45.6 69 101 A S + 0 0 40 -2,-0.7 -1,-0.2 1,-0.2 18,-0.1 0.512 46.1 79.9-137.9 -61.4 14.6 -6.3 44.1 70 102 A L S S- 0 0 5 14,-0.1 -1,-0.2 1,-0.1 2,-0.2 -0.445 71.5-127.2 -68.1 120.7 16.5 -9.6 44.4 71 103 A P >> - 0 0 68 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.516 22.2-127.6 -55.4 131.1 16.3 -11.6 47.7 72 104 A A G >4 S+ 0 0 73 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.851 110.5 64.0 -51.0 -39.6 19.9 -12.3 48.7 73 105 A E G 34 S+ 0 0 189 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.785 100.6 53.2 -52.7 -33.2 18.9 -15.9 49.0 74 106 A A G <4 S+ 0 0 21 -3,-2.0 2,-1.7 1,-0.1 -1,-0.3 0.655 79.9 105.3 -82.3 -17.6 18.2 -15.8 45.3 75 107 A F << + 0 0 28 -3,-1.3 -1,-0.1 -4,-0.7 5,-0.1 -0.459 39.3 136.9 -71.4 92.8 21.6 -14.5 44.2 76 108 A V > - 0 0 64 -2,-1.7 3,-1.4 3,-0.2 2,-0.5 -0.923 54.5-110.4-134.5 117.1 23.3 -17.4 42.7 77 109 A P T 3 S+ 0 0 31 0, 0.0 -63,-0.1 0, 0.0 3,-0.1 -0.737 90.0 5.5 -80.0 123.8 25.3 -17.1 39.5 78 110 A G T 3 S+ 0 0 27 -65,-0.6 2,-0.3 -2,-0.5 213,-0.1 0.172 98.0 73.6-138.9 111.7 24.0 -18.5 37.5 79 111 A E < - 0 0 114 -3,-1.4 2,-0.3 -65,-0.0 -1,-0.2 -0.710 64.4-130.2-123.7-179.6 20.7 -20.2 37.5 80 112 A V - 0 0 39 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.974 20.6-173.2-137.6 167.5 17.6 -18.0 37.5 81 113 A A >> - 0 0 35 -2,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.870 47.4 -92.4-139.5 164.1 14.4 -17.7 39.3 82 114 A A H >> S+ 0 0 45 -2,-0.3 4,-3.2 1,-0.2 3,-0.6 0.951 125.4 54.9 -41.7 -55.1 11.2 -15.7 39.1 83 115 A A H 3> S+ 0 0 28 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.759 106.3 47.8 -52.3 -39.5 12.8 -13.1 41.4 84 116 A A H <> S+ 0 0 0 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.785 113.6 48.5 -77.9 -27.9 15.9 -12.6 39.2 85 117 A G H S+ 0 0 7 -4,-2.3 5,-2.6 2,-0.2 6,-0.5 0.921 108.9 50.8 -63.2 -44.9 15.6 8.4 36.3 99 131 A A H ><5S+ 0 0 11 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.925 107.4 54.1 -55.2 -46.0 15.4 9.4 32.6 100 132 A R H 3<5S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.784 106.0 54.5 -59.0 -27.9 11.9 10.8 33.2 101 133 A A T 3<5S- 0 0 64 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.157 119.0-109.6 -96.0 18.0 13.4 12.9 36.0 102 134 A G T < 5S+ 0 0 71 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.697 90.6 112.0 69.5 19.6 16.1 14.5 33.8 103 135 A Q S - 0 0 5 172,-0.2 4,-2.0 -2,-0.2 5,-0.2 -0.965 12.9-162.8-131.9 114.5 17.0 -14.4 30.6 114 146 A E H > S+ 0 0 106 -2,-0.4 4,-1.7 1,-0.2 5,-0.1 0.777 93.9 55.0 -66.9 -30.0 13.8 -15.0 28.7 115 147 A T H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 109.0 46.8 -73.7 -37.0 13.1 -18.0 30.7 116 148 A A H > S+ 0 0 2 2,-0.2 4,-1.1 1,-0.2 -31,-0.3 0.847 111.1 51.4 -68.9 -37.3 13.4 -16.1 34.0 117 149 A I H X S+ 0 0 14 -4,-2.0 4,-1.0 2,-0.2 3,-0.2 0.880 109.9 50.0 -69.1 -36.7 11.2 -13.3 32.8 118 150 A N H >< S+ 0 0 79 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.941 107.7 55.2 -59.0 -49.2 8.6 -16.0 31.8 119 151 A A H 3< S+ 0 0 64 -4,-2.4 -37,-0.2 1,-0.2 -2,-0.2 0.783 107.4 52.2 -53.6 -28.6 9.0 -17.4 35.3 120 152 A S H 3< 0 0 30 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.745 360.0 360.0 -90.6 -29.7 8.1 -14.0 36.9 121 153 A G << 0 0 110 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.1 -0.617 360.0 360.0 77.2 360.0 4.9 -12.7 35.4 122 ! 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 0.0 123 157 A A 0 0 52 0, 0.0 2,-0.5 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 -44.8 10.4 -8.5 28.5 124 158 A G > - 0 0 59 1,-0.1 4,-2.4 4,-0.1 3,-0.5 -0.471 360.0-154.5 -66.9 105.3 10.2 -7.1 24.9 125 159 A Y H > S+ 0 0 15 -2,-0.5 4,-3.9 1,-0.2 5,-0.4 0.881 77.3 57.1 -62.7 -56.6 12.0 -3.8 25.4 126 160 A P H > S+ 0 0 70 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.853 120.8 35.2 -46.9 -37.0 10.9 -1.2 22.8 127 161 A G H > S+ 0 0 32 -3,-0.5 4,-3.1 2,-0.2 -2,-0.2 0.842 114.2 54.5 -85.7 -38.6 7.3 -1.8 24.0 128 162 A F H X S+ 0 0 36 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.938 112.2 48.4 -52.2 -45.6 8.1 -2.3 27.7 129 163 A V H X S+ 0 0 1 -4,-3.9 4,-2.3 2,-0.2 -2,-0.2 0.920 109.8 51.1 -57.8 -47.8 9.9 1.1 27.3 130 164 A A H <>S+ 0 0 2 -4,-1.4 5,-2.2 -5,-0.4 4,-0.4 0.956 111.1 48.1 -57.5 -50.4 6.8 2.5 25.6 131 165 A H H ><5S+ 0 0 149 -4,-3.1 3,-2.2 1,-0.2 -2,-0.2 0.954 113.0 47.0 -54.0 -58.4 4.5 1.2 28.5 132 166 A E H 3<5S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.850 111.0 52.7 -50.1 -42.3 6.7 2.6 31.3 133 167 A M T 3<5S- 0 0 24 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.456 117.9-111.1 -79.7 -1.6 7.0 5.9 29.4 134 168 A G T < 5S+ 0 0 71 -3,-2.2 -3,-0.2 -4,-0.4 -2,-0.1 0.776 79.5 101.5 83.0 25.6 3.2 6.3 29.2 135 169 A M S - 0 0 68 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.381 38.8-111.9 -76.1 161.8 1.9 3.3 22.8 137 171 A A G > S+ 0 0 66 1,-0.3 3,-1.9 2,-0.2 -7,-0.0 0.816 113.2 66.9 -62.2 -34.7 4.5 1.2 21.1 138 172 A E G 3 S+ 0 0 79 1,-0.3 -1,-0.3 3,-0.0 -11,-0.0 0.597 91.7 62.9 -65.4 -14.6 3.9 2.9 17.7 139 173 A D G < S+ 0 0 9 -3,-1.9 2,-0.4 2,-0.1 -1,-0.3 0.374 88.0 79.5 -93.3 -0.3 5.3 6.2 19.2 140 174 A V S < S- 0 0 19 -3,-1.9 2,-0.4 -4,-0.1 134,-0.2 -0.941 71.0-154.6-106.3 140.4 8.8 4.8 19.8 141 175 A Y E -F 273 0A 6 132,-3.2 132,-2.4 -2,-0.4 2,-0.6 -0.853 13.7-122.9-126.4 143.5 10.9 4.6 16.7 142 176 A L E -FG 272 153A 27 11,-0.5 11,-1.6 -2,-0.4 2,-0.7 -0.713 18.6-160.9 -88.9 129.7 13.9 2.4 15.8 143 177 A L E -FG 271 152A 0 128,-3.2 128,-2.0 -2,-0.6 2,-0.4 -0.915 11.3-163.6-109.4 112.3 17.0 4.3 15.0 144 178 A L E -FG 270 151A 6 7,-3.1 7,-2.9 -2,-0.7 2,-0.4 -0.840 8.3-171.6-108.4 132.3 19.3 1.9 13.0 145 179 A I E +FG 269 150A 2 124,-2.7 124,-2.1 -2,-0.4 2,-0.2 -0.953 21.3 111.4-132.5 135.7 23.0 2.8 12.7 146 180 A G E > +FG 268 149A 0 3,-2.3 3,-2.1 -2,-0.4 122,-0.2 -0.731 61.6 29.3 171.3 154.2 26.0 1.4 10.8 147 181 A G T 3 S- 0 0 33 120,-0.6 3,-0.1 166,-0.4 121,-0.1 0.790 129.5 -55.2 61.5 31.1 28.4 2.0 8.0 148 182 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 165,-0.2 -1,-0.3 0.459 115.1 115.7 79.9 3.3 28.2 5.8 8.5 149 183 A L E < -G 146 0A 12 -3,-2.1 -3,-2.3 111,-0.1 2,-0.4 -0.853 42.7-171.5-104.3 143.1 24.4 5.7 8.1 150 184 A R E +G 145 0A 51 -2,-0.3 98,-2.9 -5,-0.2 2,-0.4 -0.985 12.0 176.5-130.3 119.1 21.8 6.6 10.8 151 185 A I E -Gh 144 248A 0 -7,-2.9 -7,-3.1 -2,-0.4 2,-0.3 -0.968 16.4-161.8-128.1 120.4 18.1 5.9 9.9 152 186 A V E -Gh 143 249A 0 96,-2.6 98,-2.7 -2,-0.4 2,-0.5 -0.779 21.7-138.2 -92.2 146.0 15.0 6.4 12.2 153 187 A H E -Gh 142 250A 2 -11,-1.6 -11,-0.5 -2,-0.3 98,-0.2 -0.920 12.6-161.8-114.7 122.3 12.0 4.5 10.9 154 188 A A S S+ 0 0 3 96,-2.7 2,-0.3 -2,-0.5 97,-0.2 0.809 88.2 16.9 -71.3 -19.2 8.5 6.2 11.0 155 189 A T S S+ 0 0 6 95,-0.3 -1,-0.1 -3,-0.1 95,-0.1 -0.894 74.8 167.2-149.1 156.7 7.0 2.8 10.7 156 190 A L + 0 0 45 -2,-0.3 2,-1.7 96,-0.1 97,-0.5 0.130 50.4 27.7-141.4-110.0 8.5 -0.7 11.3 157 191 A H S S+ 0 0 147 96,-0.1 2,-0.3 95,-0.1 -1,-0.0 -0.503 90.2 83.6 -81.6 85.4 7.3 -4.3 11.7 158 192 A E S S- 0 0 54 -2,-1.7 95,-0.2 -3,-0.0 -3,-0.0 -0.957 89.3 -61.4-161.2 171.9 4.1 -4.6 9.8 159 193 A G > - 0 0 50 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.247 46.4-123.8 -56.6 139.9 2.9 -5.2 6.3 160 194 A I H > S+ 0 0 93 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.900 113.4 54.0 -61.4 -34.6 4.1 -2.5 4.0 161 195 A A H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.983 113.8 46.8 -60.0 -28.3 0.2 -1.7 2.8 162 196 A S H > S+ 0 0 57 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.872 111.1 48.5 -87.1 -48.5 -0.5 -1.4 6.7 163 197 A A H X S+ 0 0 2 -4,-3.0 4,-1.6 2,-0.2 -1,-0.3 0.912 108.9 53.5 -59.5 -46.8 2.6 0.9 7.3 164 198 A L H < S+ 0 0 67 -4,-2.1 -2,-0.2 -3,-0.4 -1,-0.2 0.889 111.2 47.6 -52.0 -42.5 1.6 3.2 4.4 165 199 A A H < S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.776 109.7 51.8 -68.0 -31.0 -1.7 3.5 6.0 166 200 A R H < S+ 0 0 94 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.752 86.7 105.0 -74.8 -30.1 -0.3 4.2 9.5 167 201 A L < + 0 0 11 -4,-1.6 2,-0.3 -5,-0.2 -12,-0.0 -0.319 41.5 151.3 -62.6 138.3 1.9 7.0 8.3 168 202 A D > - 0 0 65 -14,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.918 60.1 -91.6-151.9 176.9 0.9 10.5 9.1 169 203 A Q H > S+ 0 0 86 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.850 119.8 62.1 -62.2 -35.8 2.5 13.9 9.7 170 204 A R H > S+ 0 0 113 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.932 105.6 41.9 -56.6 -53.1 2.6 13.2 13.4 171 205 A H H > S+ 0 0 0 2,-0.2 4,-3.2 -3,-0.2 5,-0.2 0.906 116.0 49.2 -60.3 -44.1 4.9 10.1 13.2 172 206 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.924 114.7 44.9 -66.4 -46.6 7.2 11.6 10.6 173 207 A E H X S+ 0 0 28 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.948 116.2 45.1 -58.5 -46.3 7.5 14.8 12.7 174 208 A R H X S+ 0 0 68 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.900 113.3 51.3 -64.8 -40.4 8.0 13.0 16.0 175 209 A A H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.937 113.9 44.6 -61.2 -48.0 10.6 10.5 14.3 176 210 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.906 115.0 46.2 -65.1 -46.1 12.6 13.5 12.9 177 211 A R H X S+ 0 0 66 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.913 112.6 50.7 -63.5 -40.9 12.5 15.6 16.1 178 212 A A H X S+ 0 0 11 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.895 111.2 48.8 -62.5 -40.2 13.5 12.5 18.2 179 213 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.874 111.1 49.6 -69.2 -43.4 16.4 11.8 15.9 180 214 A V H X S+ 0 0 8 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.955 112.8 46.7 -57.5 -52.6 17.7 15.4 15.9 181 215 A Q H X S+ 0 0 128 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.874 111.9 51.7 -56.8 -40.5 17.6 15.5 19.7 182 216 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.959 111.8 45.8 -62.6 -50.3 19.3 12.1 19.9 183 217 A L H < S+ 0 0 12 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.847 109.9 54.3 -62.1 -40.9 22.1 13.3 17.6 184 218 A Q H >< S+ 0 0 94 -4,-2.7 3,-1.4 3,-0.2 -1,-0.2 0.939 108.6 48.7 -54.4 -45.7 22.4 16.6 19.6 185 219 A L H 3< S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.877 108.1 57.1 -60.1 -35.1 22.9 14.5 22.7 186 220 A M T 3< 0 0 23 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.510 360.0 360.0 -74.6 -7.6 25.5 12.5 20.7 187 221 A G < 0 0 80 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.518 360.0 360.0 103.2 360.0 27.5 15.7 20.0 188 ! 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 0.0 189 223 A A 0 0 94 0, 0.0 -5,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -50.5 25.1 20.2 17.1 190 224 A H - 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