==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE(THIOSULFATE,CYANIDE SULFUR) 23-NOV-77 1RHD . COMPND 2 MOLECULE: RHODANESE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR W.G.J.HOL,J.H.PLOEGMAN,K.H.KALK,G.DRENT . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 1 0.3 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 . 36 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 2 0 1 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 5 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A V 0 0 196 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.9 43.2 28.8 51.8 2 2 A H + 0 0 96 1,-0.1 3,-0.1 3,-0.0 2,-0.0 -0.719 360.0 163.5-123.8 173.0 39.4 28.6 52.3 3 3 A Q + 0 0 171 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.010 55.7 42.8-148.0-101.2 37.1 28.0 55.2 4 4 A V - 0 0 107 1,-0.1 -1,-0.1 -2,-0.0 2,-0.1 -0.565 65.8-139.6 -75.9 114.1 33.4 28.8 55.3 5 5 A L - 0 0 66 -2,-0.5 2,-0.2 1,-0.1 -1,-0.1 -0.391 16.1-133.1 -69.6 141.3 31.1 28.2 52.3 6 6 A Y - 0 0 54 -2,-0.1 2,-0.7 115,-0.1 -1,-0.1 -0.620 35.4 -85.8 -94.6 153.9 28.5 30.8 51.4 7 7 A R + 0 0 128 -2,-0.2 116,-0.2 1,-0.2 -1,-0.1 -0.478 48.0 173.6 -64.4 105.5 24.8 30.0 50.6 8 8 A A + 0 0 7 -2,-0.7 117,-3.9 116,-0.2 2,-0.4 0.390 56.7 65.0 -95.6 -0.7 24.8 29.1 46.9 9 9 A L E -a 125 0A 52 115,-0.3 2,-0.3 117,-0.1 117,-0.2 -0.997 59.4-177.1-128.9 126.0 21.2 27.9 46.4 10 10 A V E -a 126 0A 5 115,-3.4 117,-3.3 -2,-0.4 2,-0.2 -0.782 17.4-130.9-117.5 160.8 18.2 30.3 46.8 11 11 A S > - 0 0 49 -2,-0.3 4,-1.3 115,-0.2 5,-0.3 -0.631 20.9-111.9-110.8 168.7 14.6 29.4 46.6 12 12 A T H > S+ 0 0 6 115,-0.4 4,-2.3 -2,-0.2 3,-0.3 0.950 116.7 48.3 -61.5 -54.4 11.5 30.8 44.8 13 13 A K H > S+ 0 0 139 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.802 105.4 59.3 -55.7 -39.1 9.9 31.9 48.0 14 14 A W H > S+ 0 0 76 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.885 114.2 32.0 -58.9 -49.5 13.0 33.6 49.4 15 15 A L H X S+ 0 0 4 -4,-1.3 4,-1.7 -3,-0.3 -2,-0.2 0.896 119.1 56.6 -75.5 -45.5 13.6 36.2 46.6 16 16 A A H >X S+ 0 0 9 -4,-2.3 4,-1.5 -5,-0.3 3,-0.5 0.922 112.2 41.2 -49.0 -52.6 9.8 36.3 46.1 17 17 A E H 3X S+ 0 0 98 -4,-3.3 4,-0.7 1,-0.2 -1,-0.3 0.743 111.5 56.2 -67.8 -27.9 9.4 37.3 49.8 18 18 A S H 3X>S+ 0 0 6 -4,-0.9 5,-2.6 -5,-0.2 6,-0.6 0.672 104.5 57.0 -77.0 -21.2 12.4 39.6 49.5 19 19 A V H X<5S+ 0 0 28 -4,-1.7 3,-4.3 -3,-0.5 5,-0.2 0.992 102.9 47.2 -70.5 -73.5 10.6 41.4 46.6 20 20 A R H 3<5S+ 0 0 188 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.747 111.0 57.1 -39.3 -31.5 7.4 42.4 48.4 21 21 A A H 3<5S- 0 0 68 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.777 109.2-131.1 -72.3 -30.3 9.8 43.6 51.1 22 22 A G T <<5 + 0 0 54 -3,-4.3 -3,-0.2 -4,-0.5 -2,-0.1 0.760 62.4 140.9 79.3 30.3 11.5 45.8 48.5 23 23 A K X + 0 0 136 -5,-2.6 5,-1.0 -4,-0.2 4,-0.4 0.717 34.6 111.0 -71.3 -24.0 14.8 44.4 49.7 24 24 A V B 5 +b 28 0A 47 -6,-0.6 5,-0.2 -5,-0.2 31,-0.0 -0.377 55.5 86.8 -56.2 120.6 15.8 44.4 46.0 25 25 A G T 5S- 0 0 7 3,-2.6 -2,-0.1 -2,-0.1 -3,-0.0 -0.977 97.4 -30.7 172.1-168.2 18.4 47.2 45.9 26 26 A P T 5S+ 0 0 108 0, 0.0 64,-0.3 0, 0.0 66,-0.2 0.608 136.3 52.9 -46.7 -11.0 22.1 48.2 46.2 27 27 A G T 5S+ 0 0 42 -4,-0.4 67,-1.0 1,-0.3 2,-0.3 0.916 117.3 20.1 -87.1 -79.7 21.9 45.4 48.7 28 28 A L E < -bc 24 94A 14 -5,-1.0 -3,-2.6 65,-0.2 2,-0.4 -0.756 67.8-171.6 -98.2 142.4 20.4 42.4 46.9 29 29 A R E - c 0 95A 38 65,-2.4 67,-2.1 -2,-0.3 2,-0.4 -0.951 5.3-167.6-142.6 118.0 20.5 42.1 43.1 30 30 A V E + c 0 96A 7 -2,-0.4 26,-1.0 24,-0.2 2,-0.3 -0.886 12.9 174.9-107.2 132.8 18.8 39.4 40.9 31 31 A L E -e 56 0B 1 65,-2.8 2,-0.6 -2,-0.4 67,-0.3 -0.882 28.8-127.6-132.6 162.3 19.6 39.0 37.2 32 32 A D E +e 57 0B 11 24,-2.4 26,-1.5 -2,-0.3 2,-0.8 -0.926 22.7 178.4-118.6 103.3 18.6 36.6 34.4 33 33 A A + 0 0 0 65,-2.1 2,-0.4 -2,-0.6 74,-0.2 -0.882 25.5 146.4-107.4 95.5 21.6 35.1 32.6 34 34 A S + 0 0 6 -2,-0.8 2,-0.3 24,-0.2 26,-0.2 -0.999 20.4 177.7-137.2 135.5 19.9 32.8 30.1 35 35 A W + 0 0 58 -2,-0.4 2,-0.3 8,-0.1 7,-0.1 -0.860 4.1 178.9-148.8 110.9 21.1 31.8 26.6 36 36 A Y - 0 0 29 5,-0.3 7,-0.2 -2,-0.3 3,-0.1 -0.749 39.6 -84.3-104.8 152.0 19.6 29.5 24.0 37 37 A S >> - 0 0 41 -2,-0.3 3,-2.2 1,-0.2 4,-0.7 -0.025 53.2 -72.4 -59.1 153.9 21.0 28.8 20.5 38 38 A P T 34 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.192 121.7 8.5 -46.6 120.0 20.6 30.6 17.2 39 39 A G T 34 S+ 0 0 89 -3,-0.1 3,-0.1 2,-0.1 -2,-0.1 -0.079 113.4 84.9 98.8 -35.7 17.1 29.9 16.0 40 40 A T T <4 S- 0 0 91 -3,-2.2 2,-0.3 1,-0.3 -3,-0.1 0.986 102.7 -23.3 -57.6 -88.8 15.9 28.3 19.1 41 41 A R < - 0 0 72 -4,-0.7 2,-0.8 4,-0.0 -5,-0.3 -0.969 46.2-135.8-135.9 149.8 14.9 31.2 21.3 42 42 A E > + 0 0 139 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 -0.858 23.8 177.3-106.7 93.4 15.5 34.9 21.6 43 43 A A H > S+ 0 0 10 -2,-0.8 4,-3.4 2,-0.2 5,-0.3 0.836 75.8 64.6 -62.8 -40.2 16.0 35.5 25.4 44 44 A R H > S+ 0 0 152 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.943 110.8 40.9 -48.2 -53.5 16.8 39.2 25.1 45 45 A K H 4 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.813 113.7 53.5 -63.6 -36.7 13.2 39.5 23.8 46 46 A E H X S+ 0 0 65 -4,-1.4 4,-1.6 2,-0.2 3,-0.2 0.860 106.3 51.7 -67.2 -42.0 11.8 37.0 26.3 47 47 A Y H < S+ 0 0 18 -4,-3.4 3,-0.3 2,-0.2 -2,-0.2 0.917 109.4 46.0 -61.8 -52.0 13.2 38.8 29.4 48 48 A L T < S+ 0 0 86 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.549 115.7 53.0 -70.0 -9.0 11.9 42.3 28.6 49 49 A E T 4 S+ 0 0 114 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.734 130.0 0.5 -94.9 -32.5 8.7 40.4 27.9 50 50 A R S < S+ 0 0 102 -4,-1.6 -1,-0.3 -3,-0.3 2,-0.3 -0.769 81.2 140.4-165.5 113.3 8.5 38.6 31.2 51 51 A H B -F 141 0C 3 90,-2.1 90,-2.0 -2,-0.2 92,-0.2 -0.970 50.8 -70.1-152.4 165.5 10.9 38.8 34.1 52 52 A V > - 0 0 4 -2,-0.3 3,-3.1 88,-0.2 88,-0.1 -0.292 66.6 -86.0 -59.8 135.4 11.4 38.8 37.9 53 53 A P T 3 S- 0 0 27 0, 0.0 -1,-0.2 0, 0.0 -23,-0.1 -0.217 114.3 -0.7 -46.6 108.9 10.3 42.0 39.7 54 54 A G T 3 S+ 0 0 43 89,-0.3 -24,-0.2 1,-0.3 2,-0.1 0.542 96.6 144.8 77.3 19.2 13.4 44.3 39.4 55 55 A A < - 0 0 0 -3,-3.1 2,-0.3 -26,-0.1 -1,-0.3 -0.393 35.9-148.4 -81.7 156.7 15.6 42.0 37.5 56 56 A S E -e 31 0B 17 -26,-1.0 -24,-2.4 -2,-0.1 2,-0.2 -0.839 20.3-114.7-122.2 158.1 18.2 42.9 34.9 57 57 A F E -e 32 0B 33 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.570 19.3-146.0 -90.8 156.8 19.3 40.9 31.9 58 58 A F - 0 0 1 -26,-1.5 2,-0.9 -2,-0.2 -24,-0.2 -0.861 9.1-145.7-132.0 94.4 22.9 39.6 31.6 59 59 A D > - 0 0 49 -2,-0.4 3,-1.4 1,-0.2 4,-0.1 -0.485 9.5-168.3 -65.4 100.0 24.2 39.5 28.1 60 60 A I T 3 S+ 0 0 8 -2,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.683 87.8 60.8 -61.4 -20.1 26.5 36.5 28.0 61 61 A E T 3 S+ 0 0 86 1,-0.2 -1,-0.3 11,-0.1 3,-0.1 0.671 110.4 35.3 -80.9 -22.8 27.6 37.9 24.7 62 62 A E S < S+ 0 0 106 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.028 101.3 75.0-120.8 22.5 28.9 41.2 26.0 63 63 A C S S+ 0 0 4 -3,-0.4 2,-0.3 -4,-0.1 -1,-0.2 -0.695 91.7 67.5-133.4 68.2 30.3 40.0 29.3 64 64 A R S S- 0 0 65 -2,-0.2 2,-1.7 10,-0.1 10,-0.2 -0.927 99.1 -81.1-179.4 161.0 33.3 38.4 27.7 65 65 A D > - 0 0 66 8,-0.6 3,-1.6 -2,-0.3 8,-0.1 -0.611 38.2-168.9 -78.0 87.0 36.6 39.2 25.9 66 66 A K T 3 S+ 0 0 135 -2,-1.7 -1,-0.2 1,-0.3 5,-0.0 0.195 78.3 72.8 -65.0 19.0 35.0 39.6 22.4 67 67 A A T 3 + 0 0 81 3,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.754 69.8 95.5-102.0 -37.7 38.7 39.5 21.3 68 68 A S S < S- 0 0 30 -3,-1.6 4,-0.1 1,-0.1 5,-0.1 -0.281 76.4-129.1 -60.7 141.4 39.5 35.8 21.7 69 69 A P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.671 88.2 80.2 -60.5 -23.8 39.2 33.5 18.6 70 70 A Y S S- 0 0 44 1,-0.1 3,-0.1 179,-0.0 -2,-0.1 -0.737 92.1 -86.7-105.6 146.2 37.2 31.3 20.9 71 71 A E S S- 0 0 47 -2,-0.3 206,-0.1 1,-0.1 -1,-0.1 -0.092 87.1 -24.9 -44.7 119.0 33.7 31.0 22.4 72 72 A V + 0 0 15 1,-0.1 2,-0.3 -4,-0.1 -1,-0.1 0.908 68.9 179.5 36.7 101.2 32.9 32.9 25.6 73 73 A M - 0 0 24 -3,-0.1 -8,-0.6 -8,-0.1 -1,-0.1 -0.782 38.2 -84.5-120.9 163.7 35.8 33.9 27.9 74 74 A L - 0 0 21 -2,-0.3 -10,-0.1 -10,-0.2 3,-0.1 -0.564 50.2-126.3 -71.6 117.3 36.2 35.7 31.2 75 75 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 -10,-0.1 0.321 37.0 -77.8 -46.6-172.6 36.5 39.4 30.5 76 76 A S > - 0 0 72 -12,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.560 44.5-105.0 -91.5 159.3 39.4 41.5 31.8 77 77 A E H > S+ 0 0 98 1,-0.2 4,-1.0 -2,-0.2 77,-0.2 0.843 126.7 43.8 -52.0 -39.7 39.4 42.6 35.5 78 78 A A H > S+ 0 0 67 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.843 111.4 55.1 -74.3 -38.8 38.5 46.1 34.3 79 79 A G H > S+ 0 0 32 2,-0.2 4,-1.1 3,-0.1 -2,-0.2 0.970 107.2 47.4 -57.7 -62.4 35.9 44.7 31.8 80 80 A F H >X S+ 0 0 0 -4,-2.7 3,-3.1 1,-0.2 4,-1.6 0.943 109.6 49.8 -42.6 -77.7 33.9 42.7 34.3 81 81 A A H 3X S+ 0 0 10 -4,-1.0 4,-3.1 1,-0.3 5,-0.3 0.762 107.2 55.6 -31.3 -50.3 33.5 45.3 37.1 82 82 A D H 3< S+ 0 0 121 -4,-1.4 -1,-0.3 3,-0.2 4,-0.3 0.753 114.1 41.4 -59.4 -29.6 32.3 48.0 34.7 83 83 A Y H < S+ 0 0 0 -4,-1.6 3,-0.6 1,-0.3 5,-0.4 0.890 123.3 41.7 -44.5 -49.0 28.4 44.2 36.8 85 85 A G G >< S+ 0 0 2 -4,-3.1 65,-2.1 -5,-0.3 3,-1.6 0.801 100.6 72.4 -69.0 -32.5 28.7 47.7 38.2 86 86 A S G 34 S+ 0 0 83 -5,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.855 101.0 46.9 -49.5 -39.3 27.1 49.0 35.0 87 87 A L G << S- 0 0 21 -4,-1.6 -1,-0.3 -3,-0.6 61,-0.1 -0.378 131.2 -91.1-103.1 50.3 24.0 47.4 36.5 88 88 A G S < S+ 0 0 2 -3,-1.6 2,-0.4 -2,-0.3 -3,-0.2 0.829 76.7 145.3 40.4 56.4 24.2 48.8 40.0 89 89 A I - 0 0 0 -5,-0.4 2,-0.2 -8,-0.2 61,-0.2 -0.967 24.1-174.4-124.1 129.1 26.2 46.0 41.6 90 90 A S > - 0 0 41 -2,-0.4 3,-0.6 -64,-0.3 62,-0.2 -0.557 43.8 -97.5-114.9 179.0 28.7 46.7 44.3 91 91 A N T 3 S+ 0 0 55 60,-0.5 31,-0.2 -2,-0.2 30,-0.2 0.491 121.8 53.8 -78.5 -7.0 31.1 44.3 46.0 92 92 A D T 3 S+ 0 0 148 -66,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.438 84.1 99.8-106.4 -5.5 28.7 44.0 48.9 93 93 A T S < S- 0 0 0 -3,-0.6 2,-0.3 -65,-0.1 -65,-0.2 -0.670 72.0-126.0 -87.6 138.0 25.5 43.0 47.1 94 94 A H E -c 28 0A 18 -67,-1.0 -65,-2.4 -2,-0.3 2,-0.5 -0.635 26.0-141.3 -82.3 140.0 24.4 39.4 47.0 95 95 A V E -cd 29 123A 0 27,-1.1 29,-1.0 -2,-0.3 2,-0.7 -0.940 18.2-174.0-115.9 117.5 23.9 38.2 43.4 96 96 A V E +cd 30 124A 0 -67,-2.1 -65,-2.8 -2,-0.5 2,-0.3 -0.940 19.3 168.9-110.5 110.1 21.0 35.8 42.4 97 97 A V E + d 0 125A 0 27,-0.9 29,-1.0 -2,-0.7 2,-0.3 -0.742 0.5 153.0-117.5 165.0 21.4 34.8 38.7 98 98 A Y - 0 0 5 -67,-0.3 -65,-2.1 -2,-0.3 2,-0.3 -0.976 33.2-121.6-174.2 179.0 19.7 32.1 36.6 99 99 A N - 0 0 1 5,-0.6 31,-1.1 -2,-0.3 32,-0.2 -0.694 17.3-138.1-126.4 175.6 18.5 30.8 33.3 100 100 A G + 0 0 18 -2,-0.3 2,-0.3 29,-0.2 5,-0.1 -0.111 52.8 135.4-128.1 30.5 15.0 30.0 32.2 101 101 A D S > S- 0 0 24 1,-0.1 3,-1.3 3,-0.1 30,-0.2 -0.676 71.6-106.5 -91.0 141.9 15.7 26.7 30.2 102 102 A D T 3 S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.669 120.7 59.8 -27.0 -38.4 13.3 23.8 30.9 103 103 A L T 3 S- 0 0 53 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.984 103.8-132.1 -58.5 -62.3 16.1 22.1 32.8 104 104 A G S < S+ 0 0 3 -3,-1.3 -5,-0.6 1,-0.1 2,-0.3 -0.114 81.3 45.5 130.3 -28.3 16.3 25.0 35.3 105 105 A S + 0 0 7 -7,-0.1 -1,-0.1 -5,-0.1 -2,-0.1 -0.968 57.3 108.0-140.9 151.2 20.1 25.4 35.1 106 106 A F S S+ 0 0 58 -2,-0.3 4,-0.4 -3,-0.1 149,-0.1 -0.161 93.5 24.1 179.1 -65.3 22.6 25.4 32.3 107 107 A Y S > S+ 0 0 5 -74,-0.2 4,-1.8 2,-0.1 5,-0.2 0.609 107.0 78.2 -94.2 -19.4 24.0 28.9 31.7 108 108 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.965 94.5 46.1 -52.3 -64.0 23.3 30.1 35.3 109 109 A P H >>S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.5 0.876 103.5 66.7 -46.7 -45.7 26.3 28.3 36.8 110 110 A R H >5S+ 0 0 3 -4,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.929 113.2 30.9 -38.7 -66.4 28.3 29.7 33.9 111 111 A V H X5S+ 0 0 3 -4,-1.8 4,-2.0 -3,-0.4 -1,-0.2 0.789 111.8 65.9 -63.5 -36.5 27.8 33.2 35.4 112 112 A W H X5S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 3,-0.4 0.964 109.6 35.5 -50.2 -66.9 27.6 32.2 39.0 113 113 A W H >X5S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-1.5 0.945 106.2 71.5 -53.0 -54.1 31.2 31.0 39.3 114 114 A M H >X -a 10 0A 9 -29,-1.0 3,-1.0 -117,-0.2 2,-0.9 -0.829 23.1-143.6 -97.5 108.1 18.1 29.9 42.2 127 127 A N T 3 S+ 0 0 43 -117,-3.3 -115,-0.4 -2,-0.7 94,-0.1 -0.597 90.1 22.0 -73.0 105.1 16.9 26.3 42.8 128 128 A G T 3> S- 0 0 3 -2,-0.9 4,-2.0 92,-0.4 -1,-0.2 -0.088 96.2-142.6 128.9 -30.6 14.0 25.9 40.5 129 129 A G H <> - 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