==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-JAN-05 1YKG . COMPND 2 MOLECULE: SULFITE REDUCTASE [NADPH] FLAVOPROTEIN ALPHA- . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.SIBILLE,M.BLACKLEDGE,B.BRUTSCHER,J.COVES,B.BERSCH . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 1 0.7 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 . 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 . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 1 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 63 A I 0 0 30 0, 0.0 30,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 139.9 -4.3 -8.9 4.5 2 64 A T E -ab 31 49A 5 46,-2.1 48,-3.5 28,-0.2 2,-0.5 -0.960 360.0-167.8-115.7 118.3 -1.5 -6.7 5.9 3 65 A I E -ab 32 50A 0 28,-2.7 30,-2.2 -2,-0.5 2,-0.4 -0.938 7.7-161.3-106.5 125.5 -1.4 -3.0 4.9 4 66 A I E -ab 33 51A 0 46,-3.5 48,-2.6 -2,-0.5 2,-0.4 -0.910 2.2-158.4-109.0 135.6 1.8 -1.3 5.9 5 67 A S E -ab 34 52A 0 28,-2.0 30,-2.2 -2,-0.4 2,-0.5 -0.977 10.4-175.9-116.6 130.3 1.9 2.5 6.1 6 68 A A E + b 0 53A 0 46,-3.0 48,-1.2 -2,-0.4 2,-0.4 -0.951 21.1 158.7-128.2 105.2 5.1 4.6 5.8 7 69 A S - 0 0 16 -2,-0.5 57,-0.2 46,-0.2 -2,-0.1 -0.989 34.2-169.2-131.1 137.2 4.5 8.3 6.3 8 70 A Q S S+ 0 0 106 -2,-0.4 -1,-0.1 47,-0.1 48,-0.0 0.834 102.8 16.7 -89.1 -41.1 6.7 11.2 7.3 9 71 A T S S- 0 0 116 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.929 116.5 -96.3-100.6 -42.3 3.7 13.5 7.8 10 72 A G S > S+ 0 0 33 -4,-0.1 4,-1.4 0, 0.0 -3,-0.1 0.280 87.9 112.2 145.1 11.5 0.7 11.0 8.0 11 73 A N H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.942 78.4 49.0 -74.8 -46.6 -0.8 10.9 4.5 12 74 A A H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.862 109.7 56.7 -59.4 -34.1 0.0 7.2 3.5 13 75 A R H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 105.5 48.8 -61.5 -44.8 -1.4 6.3 6.9 14 76 A R H X S+ 0 0 145 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.898 112.9 47.2 -62.4 -42.7 -4.8 8.0 6.0 15 77 A V H X S+ 0 0 11 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.920 110.6 52.8 -64.8 -43.5 -4.9 6.2 2.6 16 78 A A H X S+ 0 0 0 -4,-2.7 4,-3.7 1,-0.2 5,-0.3 0.892 107.5 52.1 -58.4 -39.9 -4.0 2.9 4.3 17 79 A E H X S+ 0 0 71 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.887 111.2 46.4 -63.2 -40.9 -6.9 3.5 6.8 18 80 A A H X S+ 0 0 22 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.910 117.0 45.6 -65.9 -43.0 -9.3 4.1 3.8 19 81 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 3,-0.3 0.931 110.0 50.6 -67.3 -50.2 -7.9 1.0 2.1 20 82 A R H X S+ 0 0 68 -4,-3.7 4,-2.9 1,-0.3 -1,-0.2 0.908 111.3 51.9 -57.4 -39.2 -8.0 -1.3 5.1 21 83 A D H X S+ 0 0 86 -4,-1.7 4,-2.8 -5,-0.3 -1,-0.3 0.835 104.7 54.3 -64.9 -35.3 -11.6 -0.2 5.6 22 84 A D H X S+ 0 0 35 -4,-1.4 4,-1.3 -3,-0.3 -1,-0.2 0.899 113.3 43.9 -65.5 -35.9 -12.5 -1.1 2.0 23 85 A L H X>S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.3 5,-1.0 0.881 111.2 51.3 -79.2 -36.7 -11.1 -4.6 2.6 24 86 A L H <5S+ 0 0 56 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.928 112.7 49.9 -60.8 -40.9 -12.8 -4.8 6.0 25 87 A A H <5S+ 0 0 79 -4,-2.8 -2,-0.3 1,-0.2 -1,-0.2 0.830 121.1 33.1 -63.6 -32.4 -15.8 -3.8 3.9 26 88 A A H <5S- 0 0 27 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.522 141.9 -10.4-101.0 -13.1 -15.0 -6.6 1.3 27 89 A K T <5S- 0 0 82 -4,-2.3 -3,-0.2 -3,-0.1 -4,-0.1 0.408 76.5-134.2-146.1 -69.1 -13.6 -9.4 3.4 28 90 A L < + 0 0 123 -5,-1.0 2,-1.6 -8,-0.2 -4,-0.1 -0.339 69.5 90.2 131.8 -53.7 -12.7 -8.7 7.0 29 91 A N + 0 0 110 -6,-0.1 2,-0.4 2,-0.0 -5,-0.0 -0.597 53.7 152.4 -79.0 87.2 -9.3 -9.9 8.5 30 92 A V - 0 0 9 -2,-1.6 2,-0.5 -28,-0.0 -28,-0.2 -0.946 29.4-160.9-118.7 136.5 -7.2 -6.8 7.8 31 93 A K E -a 2 0A 108 -30,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.983 3.9-163.9-118.9 120.1 -4.2 -5.7 9.8 32 94 A L E +a 3 0A 28 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.939 18.8 166.5-105.7 122.7 -3.0 -2.1 9.5 33 95 A V E -a 4 0A 36 -30,-2.2 -28,-2.0 -2,-0.5 2,-0.3 -0.973 34.3-122.7-136.2 151.1 0.5 -1.3 10.9 34 96 A N E > -a 5 0A 45 3,-0.4 3,-2.1 -2,-0.3 -28,-0.2 -0.718 30.1-119.0 -86.2 144.6 3.0 1.5 10.7 35 97 A A G > S+ 0 0 0 -30,-2.2 3,-0.6 -2,-0.3 5,-0.2 0.791 116.1 56.9 -52.9 -29.6 6.5 0.5 9.3 36 98 A G G 3 S+ 0 0 55 1,-0.3 -1,-0.3 3,-0.1 2,-0.1 0.729 113.3 39.5 -73.8 -24.2 8.0 1.6 12.7 37 99 A D G < S+ 0 0 105 -3,-2.1 -3,-0.4 2,-0.0 2,-0.4 -0.579 89.5 103.3-126.5 66.0 5.7 -0.9 14.6 38 100 A Y < - 0 0 19 -3,-0.6 2,-2.6 -2,-0.1 5,-0.1 -0.968 70.0-134.0-143.6 127.4 5.7 -3.9 12.4 39 101 A K > - 0 0 122 -2,-0.4 3,-2.3 1,-0.2 4,-0.1 -0.492 32.4-176.7 -78.2 69.6 7.8 -6.9 13.4 40 102 A F G > + 0 0 22 -2,-2.6 3,-1.3 1,-0.3 4,-0.2 0.496 63.9 85.9 -56.0 -1.6 9.0 -7.0 9.8 41 103 A K G 3 S+ 0 0 139 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.708 94.3 47.0 -69.7 -19.2 11.1 -10.2 10.4 42 104 A Q G X S+ 0 0 91 -3,-2.3 3,-2.9 1,-0.2 4,-0.3 0.262 71.7 113.1-102.6 3.8 7.8 -12.0 9.7 43 105 A I G X S+ 0 0 10 -3,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.801 73.9 65.8 -45.5 -30.0 6.9 -10.1 6.5 44 106 A A G 3 S+ 0 0 42 -3,-0.3 38,-0.3 1,-0.3 -1,-0.3 0.768 88.3 65.1 -56.6 -36.3 7.6 -13.5 4.9 45 107 A S G < S+ 0 0 93 -3,-2.9 2,-0.3 36,-0.1 -1,-0.3 0.471 81.0 106.7 -72.2 -4.3 4.6 -15.0 6.7 46 108 A E < - 0 0 27 -3,-1.4 36,-0.2 -4,-0.3 3,-0.2 -0.637 44.8-176.5 -83.9 134.9 2.2 -12.7 4.7 47 109 A K S S+ 0 0 127 1,-0.4 37,-1.1 -2,-0.3 2,-0.4 0.779 85.2 22.9 -90.6 -40.3 0.1 -14.1 1.9 48 110 A L E S+ c 0 84A 16 35,-0.2 -46,-2.1 2,-0.0 2,-0.4 -0.975 78.3 173.5-135.5 116.6 -1.3 -10.7 0.9 49 111 A L E -bc 2 85A 4 35,-1.9 37,-0.8 -2,-0.4 2,-0.4 -0.986 13.3-166.9-131.0 135.8 0.7 -7.6 1.8 50 112 A I E -bc 3 86A 0 -48,-3.5 -46,-3.5 -2,-0.4 2,-0.4 -0.979 5.0-163.3-122.0 135.3 0.2 -3.9 0.9 51 113 A V E -bc 4 87A 8 35,-2.1 37,-1.8 -2,-0.4 2,-0.5 -0.974 6.9-172.6-119.2 131.6 2.8 -1.2 1.3 52 114 A V E +bc 5 88A 0 -48,-2.6 -46,-3.0 -2,-0.4 2,-0.4 -0.988 22.3 167.9-118.0 118.1 2.1 2.6 1.3 53 115 A T E -bc 6 89A 0 35,-1.9 37,-0.9 -2,-0.5 49,-0.2 -0.998 23.9-149.6-141.5 138.2 5.3 4.6 1.4 54 116 A S E - c 0 90A 14 -48,-1.2 2,-0.4 -2,-0.4 37,-0.2 -0.410 22.8-118.7 -94.3 170.2 6.3 8.2 0.9 55 117 A T - 0 0 29 35,-1.1 2,-0.2 6,-0.2 3,-0.1 -0.956 32.4-161.8-116.2 135.2 9.7 9.5 -0.5 56 118 A Q B >> -F 60 0B 24 4,-3.2 3,-1.7 -2,-0.4 4,-1.2 -0.622 38.6 -37.8-115.7 170.8 11.8 11.7 1.7 57 119 A G G >4 S+ 0 0 43 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.109 129.5 7.0 -28.8 124.5 14.7 14.2 1.4 58 120 A E G 34 S- 0 0 136 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.670 132.0 -67.5 66.0 22.1 17.3 13.1 -1.2 59 121 A G G <4 S+ 0 0 3 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.689 91.3 154.1 75.8 20.2 14.9 10.3 -2.3 60 122 A E B << -F 56 0B 107 -4,-1.2 -4,-3.2 -3,-1.0 -1,-0.2 -0.465 47.3-104.6 -80.9 150.6 15.3 8.4 1.1 61 123 A P - 0 0 25 0, 0.0 -6,-0.2 0, 0.0 5,-0.1 -0.265 52.5 -75.0 -68.9 163.6 12.6 6.0 2.3 62 124 A P > - 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.328 45.9-117.1 -60.4 144.6 10.3 7.1 5.2 63 125 A E G > S+ 0 0 110 1,-0.3 3,-2.2 2,-0.2 4,-0.5 0.892 113.3 55.0 -52.9 -50.0 12.1 7.0 8.6 64 126 A E G 3 S+ 0 0 43 1,-0.3 -1,-0.3 -57,-0.2 4,-0.2 0.609 112.6 45.1 -62.5 -13.9 9.8 4.4 10.1 65 127 A A G <> S+ 0 0 0 -3,-2.1 4,-4.0 2,-0.1 -1,-0.3 0.269 84.0 97.1-109.9 5.0 10.6 2.1 7.1 66 128 A V H <> S+ 0 0 45 -3,-2.2 4,-3.4 -4,-0.3 5,-0.2 0.947 88.8 42.4 -62.9 -48.9 14.4 2.7 7.0 67 129 A A H > S+ 0 0 57 -4,-0.5 4,-3.4 2,-0.2 -1,-0.2 0.922 118.3 48.3 -63.0 -42.7 15.3 -0.5 9.0 68 130 A L H > S+ 0 0 1 2,-0.2 4,-3.7 -4,-0.2 5,-0.3 0.947 114.8 43.1 -61.1 -52.9 12.7 -2.3 6.9 69 131 A H H X S+ 0 0 10 -4,-4.0 4,-1.6 2,-0.2 -2,-0.2 0.914 117.5 46.5 -64.7 -41.2 13.9 -1.0 3.6 70 132 A K H < S+ 0 0 142 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.922 115.5 46.9 -62.5 -42.0 17.6 -1.6 4.7 71 133 A F H >< S+ 0 0 37 -4,-3.4 3,-2.0 1,-0.2 5,-0.2 0.951 112.7 47.8 -62.6 -52.4 16.5 -5.1 5.9 72 134 A L H 3< S+ 0 0 4 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.797 115.8 47.2 -60.2 -26.5 14.7 -5.7 2.7 73 135 A F T 3< S+ 0 0 136 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.397 96.8 103.0 -93.3 0.4 17.9 -4.4 1.0 74 136 A S S X S- 0 0 54 -3,-2.0 3,-2.2 -4,-0.2 -3,-0.0 -0.490 84.8-116.8 -86.3 159.0 20.2 -6.6 3.1 75 137 A K T 3 S+ 0 0 217 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.1 0.578 118.6 59.0 -64.4 -8.5 22.0 -9.8 2.2 76 138 A K T 3 S+ 0 0 180 -5,-0.2 -1,-0.3 2,-0.1 -4,-0.1 0.354 74.7 125.6-101.5 0.3 19.8 -11.3 5.0 77 139 A A < - 0 0 15 -3,-2.2 -5,-0.1 -6,-0.2 2,-0.1 -0.441 60.3-125.7 -64.2 129.6 16.4 -10.3 3.3 78 140 A P - 0 0 40 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.383 21.0-103.9 -77.1 157.0 14.2 -13.4 2.9 79 141 A K - 0 0 146 1,-0.1 2,-2.7 -2,-0.1 3,-0.2 -0.550 31.0-116.2 -77.1 142.6 12.7 -14.6 -0.4 80 142 A L > + 0 0 11 32,-0.4 3,-1.4 29,-0.3 35,-0.2 -0.382 45.8 174.0 -76.9 61.3 8.9 -13.8 -0.7 81 143 A E T 3 S- 0 0 179 -2,-2.7 -1,-0.2 1,-0.3 -36,-0.1 0.751 79.7 -1.7 -42.9 -38.0 8.4 -17.6 -0.8 82 144 A N T 3 S+ 0 0 118 -38,-0.3 2,-0.4 -3,-0.2 -1,-0.3 -0.178 104.4 118.8-152.3 46.4 4.6 -17.1 -0.8 83 145 A T < - 0 0 6 -3,-1.4 32,-1.6 30,-0.1 2,-0.3 -0.974 38.1-167.5-122.4 130.0 4.0 -13.3 -0.6 84 146 A A E -cd 48 115A 9 -37,-1.1 -35,-1.9 -2,-0.4 2,-0.3 -0.867 16.6-169.2-112.7 150.5 2.2 -11.1 -3.1 85 147 A F E -cd 49 116A 3 30,-3.0 32,-3.3 -2,-0.3 33,-0.9 -0.945 26.3-170.5-143.6 164.2 2.3 -7.3 -3.1 86 148 A A E -c 50 0A 1 -37,-0.8 -35,-2.1 -2,-0.3 2,-0.4 -0.975 18.1-155.4-148.8 136.0 1.2 -3.9 -4.3 87 149 A V E -c 51 0A 4 31,-0.4 34,-2.4 -2,-0.3 2,-0.4 -0.947 8.0-171.6-122.0 137.7 2.8 -0.5 -3.6 88 150 A F E -ce 52 121A 0 -37,-1.8 -35,-1.9 -2,-0.4 2,-0.4 -0.993 15.8-162.7-122.0 129.6 1.3 3.0 -3.5 89 151 A S E -ce 53 122A 0 32,-2.7 34,-2.3 -2,-0.4 2,-0.5 -0.958 16.2-148.0-126.8 142.1 3.6 6.0 -3.2 90 152 A L E +ce 54 123A 16 -37,-0.9 -35,-1.1 -2,-0.4 2,-0.3 -0.882 40.4 141.2-100.0 124.4 3.2 9.6 -2.3 91 153 A G - 0 0 15 32,-2.5 2,-0.4 -2,-0.5 36,-0.1 -0.866 43.8-120.6-150.9-176.3 5.7 11.9 -4.0 92 154 A D > - 0 0 39 -2,-0.3 3,-1.8 32,-0.2 7,-0.1 -0.975 8.7-148.5-142.6 119.5 6.2 15.3 -5.7 93 155 A T T 3 S+ 0 0 89 -2,-0.4 5,-0.2 1,-0.3 -1,-0.1 0.676 94.5 72.8 -56.1 -24.7 7.4 15.8 -9.3 94 156 A S T 3 S+ 0 0 101 3,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.752 87.8 74.7 -65.6 -26.2 9.1 19.0 -8.3 95 157 A Y S < S- 0 0 150 -3,-1.8 3,-0.4 1,-0.1 -3,-0.0 -0.627 85.4-127.8 -87.0 153.3 11.8 16.9 -6.5 96 158 A E S S+ 0 0 169 1,-0.3 2,-1.6 -2,-0.2 -1,-0.1 0.918 106.3 53.3 -63.3 -47.2 14.5 15.1 -8.5 97 159 A F S > S- 0 0 75 -41,-0.1 3,-1.2 2,-0.0 2,-0.5 -0.534 82.5-174.0 -89.6 62.0 13.9 11.7 -6.8 98 160 A F T 3 S- 0 0 68 -2,-1.6 -5,-0.1 -3,-0.4 -7,-0.1 -0.541 70.8 -16.8 -66.2 119.3 10.2 11.7 -7.6 99 161 A C T >> S+ 0 0 0 -2,-0.5 4,-1.6 24,-0.1 3,-0.6 0.704 85.5 153.1 59.2 29.3 8.6 8.7 -5.8 100 162 A Q H <> + 0 0 67 -3,-1.2 4,-2.6 1,-0.2 5,-0.1 0.824 64.2 59.5 -58.8 -35.6 11.9 7.0 -5.3 101 163 A S H 3> S+ 0 0 0 -4,-0.2 4,-2.9 1,-0.2 5,-0.3 0.907 106.1 48.3 -62.4 -40.6 10.8 5.0 -2.2 102 164 A G H <> S+ 0 0 0 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.906 110.1 51.2 -63.0 -46.6 8.1 3.3 -4.1 103 165 A K H X S+ 0 0 84 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.937 112.6 48.7 -56.6 -42.0 10.5 2.5 -6.9 104 166 A D H X S+ 0 0 50 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.947 115.4 40.2 -64.3 -54.4 12.8 1.0 -4.2 105 167 A F H X S+ 0 0 5 -4,-2.9 4,-1.9 1,-0.2 5,-0.3 0.927 116.3 51.8 -62.8 -44.1 10.3 -1.2 -2.4 106 168 A D H X S+ 0 0 24 -4,-2.9 4,-1.2 -5,-0.3 -1,-0.2 0.894 115.2 42.3 -59.3 -39.0 8.7 -2.2 -5.8 107 169 A S H X S+ 0 0 45 -4,-2.3 4,-3.2 -5,-0.2 5,-0.2 0.966 112.2 48.4 -73.4 -58.8 12.0 -3.3 -7.2 108 170 A K H X S+ 0 0 36 -4,-2.5 4,-2.5 1,-0.2 6,-0.2 0.880 111.4 51.7 -53.6 -43.8 13.6 -5.1 -4.2 109 171 A L H X>S+ 0 0 11 -4,-1.9 5,-3.2 -5,-0.3 4,-0.6 0.911 113.4 43.7 -58.3 -47.5 10.4 -7.2 -3.6 110 172 A A H ><5S+ 0 0 42 -4,-1.2 3,-1.2 -5,-0.3 -2,-0.2 0.920 112.3 53.4 -66.9 -41.5 10.3 -8.2 -7.2 111 173 A E H 3<5S+ 0 0 127 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.890 107.5 51.6 -59.3 -38.7 14.1 -8.9 -7.3 112 174 A L H 3<5S- 0 0 38 -4,-2.5 -32,-0.4 -5,-0.2 -1,-0.3 0.648 129.8-100.3 -72.6 -13.9 13.6 -11.1 -4.2 113 175 A G T <<5 + 0 0 53 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.528 67.8 155.0 107.8 8.9 10.8 -13.0 -6.1 114 176 A G < - 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