==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-OCT-01 1GP6 . COMPND 2 MOLECULE: LEUCOANTHOCYANIDIN DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR R.C.WILMOUTH,J.J.TURNBULL,R.W.D.WELFORD,I.J.CLIFTON,A.G.PRES . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.6 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 . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 3 0 1 1 0 1 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 . 1 0 1 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 2 A V 0 0 195 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.0 -0.3 9.6 3.7 2 3 A A - 0 0 93 2,-0.0 2,-0.7 0, 0.0 0, 0.0 -0.724 360.0-140.2 -95.1 149.2 0.9 9.8 7.3 3 4 A V - 0 0 95 -2,-0.3 2,-0.5 2,-0.0 0, 0.0 -0.937 25.7-176.1-110.8 106.4 2.0 13.1 8.8 4 5 A E - 0 0 103 -2,-0.7 2,-0.4 122,-0.1 3,-0.0 -0.919 8.2-165.9-109.8 120.0 5.0 12.4 11.0 5 6 A R > - 0 0 13 -2,-0.5 4,-2.1 1,-0.1 5,-0.1 -0.829 23.2-135.3-101.0 144.5 6.6 15.2 13.0 6 7 A V H > S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.839 106.9 59.0 -68.1 -30.4 10.1 14.7 14.5 7 8 A E H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.929 106.7 48.2 -63.3 -38.5 8.9 16.2 17.8 8 9 A S H >> S+ 0 0 47 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.945 112.7 47.7 -63.9 -47.9 6.2 13.5 17.9 9 10 A L H ><>S+ 0 0 11 -4,-2.1 3,-0.9 1,-0.2 5,-0.6 0.891 108.3 55.0 -60.6 -40.7 8.8 10.8 17.2 10 11 A A H 3<5S+ 0 0 34 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.759 115.1 40.1 -64.1 -27.5 11.2 12.2 19.8 11 12 A K H <<5S+ 0 0 145 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.414 90.7 92.0-101.7 -0.6 8.5 11.9 22.4 12 13 A S T <<5S- 0 0 73 -3,-0.9 -1,-0.1 -4,-0.7 -2,-0.1 0.527 101.6-105.2 -73.6 -9.4 7.0 8.5 21.3 13 14 A G T 5 + 0 0 67 -3,-0.3 -3,-0.1 -4,-0.2 -2,-0.1 0.614 62.7 158.9 94.9 13.3 9.2 6.4 23.6 14 15 A I < - 0 0 57 -5,-0.6 -1,-0.2 1,-0.1 3,-0.1 -0.354 31.0-161.9 -69.3 153.2 11.6 5.1 20.9 15 16 A I S S+ 0 0 146 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.795 78.8 28.3 -99.1 -42.9 14.9 3.7 22.0 16 17 A S S S- 0 0 66 205,-0.0 -1,-0.2 1,-0.0 3,-0.1 -0.777 91.0-105.2-115.2 158.9 16.6 3.9 18.6 17 18 A I - 0 0 9 -2,-0.3 5,-0.1 1,-0.1 202,-0.0 -0.567 43.6 -95.2 -85.3 151.9 15.9 6.3 15.8 18 19 A P > - 0 0 31 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.219 36.5-111.2 -59.2 154.7 14.1 5.0 12.6 19 20 A K G > S+ 0 0 73 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.810 112.7 68.8 -57.8 -33.6 16.3 3.9 9.8 20 21 A E G 3 S+ 0 0 93 1,-0.3 116,-2.6 115,-0.1 -1,-0.3 0.688 100.8 50.1 -60.3 -20.3 15.3 6.9 7.6 21 22 A Y G < S+ 0 0 8 -3,-1.6 2,-0.4 114,-0.2 205,-0.3 0.534 85.7 99.0 -96.3 -10.0 17.1 9.1 10.0 22 23 A I S < S- 0 0 59 -3,-1.4 203,-0.2 -4,-0.4 3,-0.1 -0.647 74.0-127.6 -81.3 131.0 20.4 7.2 10.1 23 24 A R - 0 0 18 201,-2.4 5,-0.1 -2,-0.4 -2,-0.1 -0.326 36.1 -82.5 -75.6 160.2 23.0 8.8 7.8 24 25 A P >> - 0 0 53 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.222 45.9-105.4 -58.4 152.8 24.9 6.7 5.2 25 26 A K H 3> S+ 0 0 75 1,-0.3 4,-0.8 2,-0.2 -2,-0.1 0.869 119.7 54.1 -50.3 -42.3 27.9 4.7 6.6 26 27 A E H 34 S+ 0 0 152 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.839 109.3 47.7 -65.0 -32.6 30.4 7.1 5.0 27 28 A E H X4 S+ 0 0 45 -3,-0.9 3,-1.4 1,-0.2 4,-0.4 0.837 96.8 70.8 -78.8 -31.0 28.8 10.2 6.6 28 29 A L H >< S+ 0 0 50 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.807 86.3 68.3 -56.5 -30.8 28.6 8.7 10.1 29 30 A E T 3< S+ 0 0 173 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.1 0.826 98.8 48.4 -60.4 -31.6 32.4 8.9 10.5 30 31 A S T < S+ 0 0 38 -3,-1.4 2,-0.6 -4,-0.3 -1,-0.2 0.494 90.6 97.2 -86.7 -4.5 32.4 12.7 10.5 31 32 A I < + 0 0 9 -3,-1.3 2,-0.2 -4,-0.4 195,-0.0 -0.787 48.2 157.5 -94.1 116.8 29.6 13.0 13.1 32 33 A N - 0 0 88 -2,-0.6 2,-0.4 190,-0.0 -2,-0.0 -0.665 52.1 -59.3-124.6-178.1 30.7 13.5 16.7 33 34 A D > - 0 0 73 -2,-0.2 4,-2.6 1,-0.2 3,-0.2 -0.501 42.0-146.8 -67.4 122.5 29.3 14.9 20.0 34 35 A V H > S+ 0 0 3 257,-0.4 4,-2.5 -2,-0.4 -1,-0.2 0.835 97.6 51.7 -61.8 -31.9 28.4 18.5 19.4 35 36 A F H > S+ 0 0 43 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.881 111.3 46.1 -73.1 -36.8 29.2 19.5 23.0 36 37 A L H > S+ 0 0 124 -3,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.893 115.3 48.7 -70.2 -38.3 32.7 17.9 22.7 37 38 A E H >< S+ 0 0 26 -4,-2.6 3,-0.6 1,-0.2 221,-0.2 0.890 106.6 54.7 -67.2 -41.8 33.2 19.5 19.3 38 39 A E H 3< S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.806 105.1 55.0 -62.6 -29.4 32.1 23.0 20.6 39 40 A K H 3< S+ 0 0 68 -4,-1.1 2,-0.3 -3,-0.1 -1,-0.2 0.744 84.8 100.0 -76.0 -25.4 34.7 22.8 23.3 40 41 A K << + 0 0 114 -4,-0.8 218,-0.1 -3,-0.6 -3,-0.0 -0.467 45.7 179.4 -67.2 127.2 37.5 22.2 20.9 41 42 A E + 0 0 153 -2,-0.3 2,-0.2 4,-0.0 -1,-0.1 0.187 46.7 101.8-114.6 15.8 39.5 25.4 20.2 42 43 A D + 0 0 116 2,-0.0 -2,-0.0 3,-0.0 0, 0.0 -0.652 65.8 28.1 -97.5 155.3 42.1 24.1 17.7 43 44 A G S S- 0 0 56 -2,-0.2 214,-0.0 214,-0.1 0, 0.0 -0.173 107.3 -25.8 86.5 174.4 41.9 24.5 14.0 44 45 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 208,-0.1 -0.256 64.9-154.1 -60.0 147.8 40.3 27.2 11.9 45 46 A Q - 0 0 62 212,-0.1 214,-0.1 -4,-0.0 -2,-0.1 -0.945 25.5 -94.5-128.4 148.8 37.5 29.1 13.6 46 47 A V - 0 0 18 -2,-0.3 33,-0.1 212,-0.2 214,-0.1 -0.341 52.0-113.2 -58.9 133.9 34.5 30.9 12.2 47 48 A P - 0 0 27 0, 0.0 33,-2.9 0, 0.0 2,-0.5 -0.380 14.9-141.3 -74.6 147.3 35.4 34.6 12.0 48 49 A T E -a 80 0A 70 31,-0.2 2,-0.5 -2,-0.1 33,-0.2 -0.945 20.6-161.9-103.3 127.7 33.7 37.3 14.1 49 50 A I E -a 81 0A 7 31,-2.7 33,-2.1 -2,-0.5 2,-0.6 -0.958 8.4-145.4-118.9 119.7 33.2 40.4 12.0 50 51 A D E -a 82 0A 69 -2,-0.5 3,-0.3 31,-0.2 33,-0.2 -0.749 15.1-177.9 -88.4 117.2 32.6 43.8 13.7 51 52 A L > + 0 0 5 31,-2.7 3,-1.9 -2,-0.6 4,-0.3 0.294 48.8 112.4 -96.8 9.1 30.2 46.0 11.8 52 53 A K T 3 S+ 0 0 134 1,-0.3 3,-0.4 30,-0.2 -1,-0.2 0.871 85.4 36.3 -48.9 -43.4 30.3 49.0 14.1 53 54 A N T > S+ 0 0 46 -3,-0.3 3,-1.5 1,-0.2 -1,-0.3 0.168 78.1 116.6-100.1 20.2 32.1 51.2 11.5 54 55 A I T < S+ 0 0 14 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.768 93.1 23.7 -60.1 -26.5 30.4 50.0 8.4 55 56 A E T 3 S+ 0 0 83 -3,-0.4 -1,-0.3 -4,-0.3 2,-0.1 -0.056 90.2 146.5-130.4 33.8 28.9 53.4 7.7 56 57 A S < - 0 0 30 -3,-1.5 6,-0.1 2,-0.2 -3,-0.1 -0.421 52.7-135.9 -72.7 144.8 31.3 55.6 9.7 57 58 A D S S+ 0 0 173 -2,-0.1 2,-1.0 5,-0.1 -1,-0.1 0.739 88.4 92.0 -69.6 -25.2 32.2 59.1 8.4 58 59 A D > - 0 0 80 1,-0.2 4,-2.6 2,-0.1 5,-0.2 -0.636 69.6-158.4 -75.1 104.5 35.8 58.3 9.2 59 60 A E H > S+ 0 0 133 -2,-1.0 4,-3.0 1,-0.2 5,-0.3 0.871 84.2 49.1 -52.5 -52.3 37.1 56.9 5.9 60 61 A K H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 115.9 44.7 -57.8 -45.4 40.1 54.8 7.1 61 62 A I H > S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.886 113.9 49.5 -66.5 -40.6 37.9 53.1 9.8 62 63 A R H X S+ 0 0 75 -4,-2.6 4,-2.5 1,-0.2 3,-0.3 0.957 112.1 48.0 -63.3 -49.6 35.0 52.5 7.4 63 64 A E H X S+ 0 0 110 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.850 108.0 55.7 -59.9 -35.9 37.3 51.0 4.8 64 65 A N H X S+ 0 0 102 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.897 108.9 47.5 -64.0 -38.9 38.9 48.8 7.4 65 66 A C H X S+ 0 0 12 -4,-1.7 4,-2.5 -3,-0.3 -2,-0.2 0.937 111.8 49.5 -65.8 -49.9 35.5 47.4 8.3 66 67 A I H X S+ 0 0 24 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.893 111.1 50.7 -55.1 -43.0 34.6 46.8 4.6 67 68 A E H X S+ 0 0 87 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.871 109.7 48.7 -66.0 -40.0 37.9 45.0 4.1 68 69 A E H X S+ 0 0 89 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.917 114.4 46.2 -66.2 -41.8 37.4 42.7 7.1 69 70 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.929 113.7 49.2 -63.7 -45.1 33.9 41.9 5.9 70 71 A K H X S+ 0 0 57 -4,-2.8 4,-1.9 -5,-0.2 5,-0.2 0.939 110.8 50.2 -58.4 -50.9 35.2 41.4 2.3 71 72 A K H X S+ 0 0 94 -4,-2.8 4,-1.4 1,-0.2 5,-0.3 0.890 110.6 47.6 -58.3 -43.6 38.0 39.1 3.5 72 73 A A H X>S+ 0 0 7 -4,-2.2 5,-3.0 1,-0.2 4,-1.5 0.874 112.4 51.7 -64.8 -35.9 35.7 36.9 5.6 73 74 A S H <5S+ 0 0 0 -4,-2.1 210,-2.6 3,-0.2 -2,-0.2 0.802 110.8 45.8 -72.2 -31.6 33.3 36.6 2.7 74 75 A L H <5S+ 0 0 56 -4,-1.9 -1,-0.2 208,-0.2 -2,-0.2 0.725 125.3 32.3 -80.1 -25.6 36.0 35.6 0.2 75 76 A D H <5S+ 0 0 85 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.914 138.8 5.6 -94.9 -69.4 37.5 33.0 2.5 76 77 A W T <5S- 0 0 15 -4,-1.5 -3,-0.2 -5,-0.3 209,-0.2 0.870 71.5-150.3 -84.6 -46.6 34.8 31.5 4.8 77 78 A G S - 0 0 57 0, 0.0 4,-1.9 0, 0.0 5,-0.2 -0.208 17.3-138.2 -53.6 135.0 18.5 45.8 19.1 88 89 A A H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.861 101.8 52.0 -62.7 -37.6 19.4 43.0 21.5 89 90 A D H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.849 105.5 54.5 -72.8 -30.5 16.0 43.1 23.2 90 91 A L H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 108.9 49.1 -65.1 -43.8 14.1 42.8 19.9 91 92 A M H X S+ 0 0 11 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.890 110.0 50.9 -62.4 -37.8 16.1 39.7 19.1 92 93 A E H X S+ 0 0 115 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.876 109.8 50.8 -67.2 -36.6 15.3 38.2 22.5 93 94 A R H X S+ 0 0 109 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.902 109.3 50.3 -66.0 -40.9 11.6 39.0 22.0 94 95 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.947 113.3 45.7 -61.7 -46.4 11.6 37.2 18.6 95 96 A K H X S+ 0 0 50 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.898 110.9 52.0 -65.1 -41.4 13.3 34.1 20.1 96 97 A K H X S+ 0 0 114 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.930 109.9 50.5 -60.8 -41.4 11.0 34.0 23.1 97 98 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.880 111.1 47.8 -65.8 -35.6 8.0 34.1 20.8 98 99 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.897 110.2 51.8 -70.7 -40.2 9.4 31.3 18.7 99 100 A E H X S+ 0 0 65 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.900 110.6 50.0 -61.0 -42.6 10.1 29.2 21.7 100 101 A E H < S+ 0 0 67 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.894 109.4 49.7 -65.3 -40.7 6.5 29.8 22.9 101 102 A F H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.959 112.2 48.0 -64.1 -46.2 5.0 28.8 19.6 102 103 A F H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.705 101.4 65.6 -69.1 -15.6 7.1 25.6 19.5 103 104 A S T 3< S+ 0 0 101 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.584 80.7 99.4 -79.2 -10.4 6.1 24.8 23.1 104 105 A L S < S- 0 0 38 -3,-1.7 -3,-0.0 -4,-0.4 5,-0.0 -0.329 92.0 -88.5 -67.7 158.8 2.5 24.3 21.9 105 106 A S > - 0 0 59 1,-0.1 4,-2.3 4,-0.0 3,-0.4 -0.317 33.7-112.0 -66.2 156.4 1.5 20.7 21.4 106 107 A V H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.900 120.2 59.5 -54.5 -39.5 2.1 19.2 18.0 107 108 A E H 4 S+ 0 0 151 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.903 105.4 45.7 -58.8 -40.8 -1.7 19.1 17.7 108 109 A E H >4 S+ 0 0 75 -3,-0.4 3,-1.3 1,-0.2 -1,-0.2 0.906 112.5 51.7 -67.9 -40.4 -2.0 22.9 18.2 109 110 A K H >< S+ 0 0 0 -4,-2.3 3,-2.4 1,-0.3 15,-0.3 0.814 95.5 69.9 -67.3 -28.7 0.9 23.5 15.7 110 111 A E G >< S+ 0 0 57 -4,-2.2 3,-1.4 1,-0.3 -1,-0.3 0.685 82.1 73.4 -62.4 -17.0 -0.9 21.2 13.1 111 112 A K G < S+ 0 0 149 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.719 101.2 45.0 -68.3 -15.4 -3.4 24.0 12.7 112 113 A Y G < S+ 0 0 35 -3,-2.4 12,-2.0 -4,-0.2 -1,-0.3 0.248 86.2 147.6-106.8 6.9 -0.6 25.8 10.9 113 114 A A B < -c 124 0A 42 -3,-1.4 12,-0.2 10,-0.2 9,-0.1 -0.075 43.8-129.1 -49.6 138.3 0.5 22.8 8.8 114 115 A N - 0 0 22 10,-2.8 7,-0.2 7,-0.1 2,-0.1 -0.220 11.3-150.7 -78.8 173.8 1.8 23.5 5.3 115 116 A D B > > +I 120 0B 66 5,-3.1 5,-2.5 7,-0.2 3,-1.5 -0.608 15.4 178.2-151.8 86.4 0.5 21.6 2.3 116 117 A Q G > 5S+ 0 0 85 1,-0.3 3,-1.5 3,-0.2 5,-0.1 0.805 77.3 68.7 -62.4 -31.6 3.1 21.2 -0.5 117 118 A A G 3 5S+ 0 0 97 1,-0.3 -1,-0.3 3,-0.1 4,-0.1 0.755 109.5 35.5 -61.3 -25.4 0.7 19.3 -2.7 118 119 A T G < 5S- 0 0 86 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.187 122.7-100.9-112.2 14.7 -1.4 22.5 -3.2 119 120 A G T < 5S+ 0 0 54 -3,-1.5 2,-1.6 1,-0.2 -3,-0.2 0.582 77.1 139.0 81.8 9.1 1.5 24.9 -3.2 120 121 A K B < +I 115 0B 141 -5,-2.5 -5,-3.1 1,-0.2 -1,-0.2 -0.658 15.2 160.7 -89.0 86.0 1.1 26.0 0.4 121 122 A I + 0 0 92 -2,-1.6 2,-0.3 -7,-0.2 -1,-0.2 0.584 45.1 88.3 -84.3 -9.9 4.7 26.1 1.3 122 123 A Q S S+ 0 0 50 -3,-0.1 2,-0.3 -7,-0.1 22,-0.2 -0.651 70.1 39.6 -90.0 148.0 4.3 28.4 4.3 123 124 A G E S- D 0 143A 0 20,-3.1 20,-2.3 -2,-0.3 2,-0.3 -0.760 96.1 -14.8 121.4-163.5 3.5 27.1 7.8 124 125 A Y E S+cD 113 142A 0 -12,-2.0 -10,-2.8 -15,-0.3 2,-0.3 -0.591 74.6 135.8 -79.8 133.5 4.5 24.3 10.1 125 126 A G E - 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0 0 28 -116,-2.6 2,-0.3 -3,-0.1 90,-0.3 -0.879 13.1-135.2-123.7 156.8 15.0 12.4 6.7 137 138 A E - 0 0 10 -2,-0.3 2,-2.0 -10,-0.2 90,-0.2 -0.839 25.2-109.1-113.6 152.6 16.5 15.0 9.0 138 139 A W S S+ 0 0 0 88,-2.7 2,-0.3 -2,-0.3 90,-0.1 -0.453 81.7 84.7 -80.9 65.4 15.9 15.5 12.7 139 140 A E - 0 0 10 -2,-2.0 -12,-0.5 77,-0.2 2,-0.3 -0.983 51.8-157.6-160.5 153.5 14.0 18.7 12.6 140 141 A D E - E 0 215A 0 75,-2.3 75,-2.8 -2,-0.3 2,-0.3 -0.803 28.8-177.1-119.0 166.3 10.5 20.3 12.3 141 142 A Y E -DE 125 214A 27 -16,-2.6 -16,-2.5 -2,-0.3 2,-0.4 -0.943 28.7-131.1-156.5 173.7 10.2 23.9 11.2 142 143 A F E -DE 124 213A 0 71,-1.6 71,-2.8 -2,-0.3 2,-0.4 -0.984 27.3-171.4-134.0 123.5 7.9 26.9 10.5 143 144 A F E +DE 123 212A 32 -20,-2.3 -20,-3.1 -2,-0.4 2,-0.3 -0.957 14.7 148.6-123.4 132.0 8.5 28.8 7.3 144 145 A H E - E 0 211A 0 67,-2.5 67,-3.3 -2,-0.4 2,-0.3 -0.985 49.0-101.3-157.7 151.3 6.9 32.0 6.1 145 146 A L E + E 0 210A 17 -2,-0.3 8,-0.4 65,-0.2 65,-0.3 -0.574 35.2 179.1 -70.8 134.7 7.6 35.1 4.0 146 147 A A E + 0 0 2 63,-3.3 64,-0.2 1,-0.4 -1,-0.1 0.633 45.5 73.1-111.1 -21.4 8.5 37.9 6.4 147 148 A Y E S+ E 0 209A 46 62,-1.5 62,-2.8 1,-0.1 -1,-0.4 -0.978 71.5 37.3-163.4 147.7 9.2 40.9 4.1 148 149 A P S > S- 0 0 19 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.512 76.2-135.5 -66.8 159.0 8.2 43.0 2.2 149 150 A E G > S+ 0 0 77 1,-0.3 3,-1.1 2,-0.2 -2,-0.0 0.838 98.9 57.6 -57.3 -38.0 5.1 43.6 4.3 150 151 A E G 3 S+ 0 0 105 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.749 104.7 53.6 -68.4 -20.0 2.6 43.8 1.4 151 152 A K G < S+ 0 0 99 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.538 86.5 107.9 -91.1 -6.0 3.6 40.3 0.3 152 153 A R < - 0 0 54 -3,-1.1 2,-0.6 -4,-0.5 3,-0.1 -0.319 60.8-146.5 -69.8 150.0 3.0 38.6 3.7 153 154 A D > - 0 0 73 -8,-0.4 3,-1.7 1,-0.1 4,-0.4 -0.825 17.5-176.1-113.9 88.6 0.1 36.3 4.4 154 155 A L G > S+ 0 0 65 -2,-0.6 3,-1.3 1,-0.3 -1,-0.1 0.760 71.5 74.6 -58.6 -22.7 -0.5 37.1 8.0 155 156 A S G 3 S+ 0 0 74 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.755 95.9 49.4 -63.1 -25.5 -3.2 34.5 8.4 156 157 A I G < S+ 0 0 34 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.579 88.9 104.7 -90.1 -9.6 -0.6 31.7 8.4 157 158 A W S < S- 0 0 0 -3,-1.3 8,-0.1 -4,-0.4 7,-0.0 -0.418 88.3 -85.5 -74.5 144.3 1.6 33.4 11.1 158 159 A P - 0 0 1 0, 0.0 7,-0.3 0, 0.0 -1,-0.1 -0.197 32.4-164.9 -48.0 131.2 1.5 32.0 14.7 159 160 A K + 0 0 133 1,-0.2 5,-0.1 5,-0.1 -2,-0.1 0.530 64.3 90.9 -95.1 -11.4 -1.4 33.5 16.7 160 161 A T S S+ 0 0 72 1,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.996 75.7 41.2-130.0 125.2 0.2 32.3 19.9 161 162 A P S > S- 0 0 9 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.484 90.3-134.9 -72.2 158.2 2.1 34.0 21.4 162 163 A S T 3 S+ 0 0 124 1,-0.3 4,-0.3 -2,-0.1 3,-0.2 0.724 101.2 50.8 -55.2 -23.1 0.1 37.2 20.9 163 164 A D T 3> S+ 0 0 46 1,-0.2 4,-2.8 2,-0.1 5,-0.3 0.308 75.4 104.6-100.2 10.3 3.2 39.2 20.0 164 165 A Y H <> S+ 0 0 2 -3,-2.2 4,-2.8 1,-0.2 5,-0.3 0.943 85.3 43.1 -55.0 -50.9 4.7 36.9 17.3 165 166 A I H > S+ 0 0 55 -7,-0.3 4,-2.3 -4,-0.3 5,-0.2 0.928 115.7 48.0 -63.0 -45.1 3.6 39.1 14.4 166 167 A E H > S+ 0 0 154 -4,-0.3 4,-2.0 2,-0.2 5,-0.2 0.958 117.4 41.2 -61.1 -50.7 4.7 42.3 16.1 167 168 A A H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.937 117.2 46.0 -63.5 -49.3 8.1 41.0 17.1 168 169 A T H X S+ 0 0 1 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.855 111.7 52.9 -65.1 -36.7 8.8 39.2 13.8 169 170 A S H X S+ 0 0 15 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.896 110.6 45.8 -66.2 -41.3 7.7 42.1 11.7 170 171 A E H X S+ 0 0 82 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.912 112.4 51.4 -68.7 -40.8 9.9 44.6 13.5 171 172 A Y H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.895 108.8 50.5 -61.5 -43.9 12.9 42.2 13.3 172 173 A A H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.913 109.5 51.1 -62.9 -42.9 12.4 41.6 9.5 173 174 A K H X S+ 0 0 85 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.930 111.5 47.9 -61.5 -40.8 12.3 45.4 9.0 174 175 A C H X S+ 0 0 21 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.910 111.6 49.7 -65.1 -42.3 15.6 45.8 10.9 175 176 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.855 104.0 59.5 -64.3 -35.0 17.2 43.0 9.0 176 177 A R H X S+ 0 0 3 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.891 107.3 46.7 -62.1 -35.8 16.2 44.5 5.7 177 178 A L H X S+ 0 0 114 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.863 112.3 50.0 -72.2 -37.3 18.1 47.7 6.6 178 179 A L H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.883 105.9 56.0 -69.3 -37.3 21.1 45.6 7.7 179 180 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.918 105.9 52.3 -61.5 -40.6 21.0 43.6 4.4 180 181 A T H X S+ 0 0 46 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.918 109.1 49.4 -59.2 -44.2 21.3 47.0 2.5 181 182 A K H X S+ 0 0 65 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.927 114.3 45.1 -59.5 -46.6 24.3 47.9 4.5 182 183 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.921 110.4 52.2 -64.9 -47.0 26.0 44.6 3.9 183 184 A F H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 14,-0.3 0.890 110.9 50.3 -57.0 -41.8 25.1 44.5 0.1 184 185 A K H X S+ 0 0 61 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.957 111.4 45.9 -63.4 -49.5 26.7 47.9 -0.2 185 186 A A H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.902 114.3 49.0 -62.8 -36.9 29.9 47.0 1.6 186 187 A L H X S+ 0 0 0 -4,-3.1 4,-1.0 2,-0.2 -1,-0.2 0.848 109.3 52.4 -71.9 -28.9 30.2 43.8 -0.4 187 188 A S H ><>S+ 0 0 0 -4,-1.9 5,-2.7 7,-0.3 3,-0.7 0.934 109.8 48.2 -68.0 -47.3 29.6 45.7 -3.7 188 189 A V H ><5S+ 0 0 62 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.872 105.8 60.1 -60.1 -37.5 32.4 48.1 -2.8 189 190 A G H 3<5S+ 0 0 9 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.810 106.1 45.8 -61.8 -31.4 34.6 45.1 -1.9 190 191 A L T <<5S- 0 0 23 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.376 121.4-107.6 -91.3 3.2 34.2 43.8 -5.5 191 192 A G T < 5S+ 0 0 65 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.659 78.0 133.2 80.0 17.6 34.9 47.3 -6.9 192 193 A L S - 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