==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAR-12 3VQJ . COMPND 2 MOLECULE: CARBONYL SULFIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THIOBACILLUS THIOPARUS; . AUTHOR Y.KATAYAMA,K.NOGUCHI,T.OGAWA,A.OHTAKI,M.ODAKA,M.YOHDA . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10924.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 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 . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 1 0 0 0 1 0 1 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A N > 0 0 71 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.4 -6.9 -13.0 -27.4 2 6 A T H > + 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.915 360.0 48.1 -63.6 -41.4 -6.5 -14.6 -24.0 3 7 A D H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.921 110.7 51.5 -66.6 -34.4 -7.0 -11.4 -21.9 4 8 A A H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 109.6 51.1 -65.8 -36.6 -10.2 -10.5 -23.9 5 9 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.871 105.7 55.4 -70.0 -32.5 -11.4 -14.0 -23.1 6 10 A L H X S+ 0 0 39 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.859 107.0 50.3 -66.2 -32.0 -10.7 -13.5 -19.4 7 11 A E H X S+ 0 0 83 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.917 109.1 50.8 -69.9 -38.9 -12.9 -10.4 -19.5 8 12 A N H X S+ 0 0 28 -4,-2.3 4,-2.6 43,-0.2 -2,-0.2 0.920 109.9 51.4 -60.1 -39.6 -15.6 -12.4 -21.2 9 13 A N H X S+ 0 0 2 -4,-2.5 4,-3.0 42,-0.3 -2,-0.2 0.891 105.0 55.2 -67.0 -34.6 -15.2 -14.9 -18.4 10 14 A R H X S+ 0 0 109 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.943 110.8 45.9 -58.1 -45.9 -15.5 -12.2 -15.7 11 15 A L H <>S+ 0 0 55 -4,-2.4 5,-2.9 2,-0.2 4,-0.3 0.932 111.9 52.1 -59.8 -44.1 -18.8 -11.3 -17.3 12 16 A Y H ><5S+ 0 0 62 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.933 108.3 49.5 -60.6 -47.4 -19.8 -14.9 -17.5 13 17 A A H 3<5S+ 0 0 33 -4,-3.0 -1,-0.2 187,-0.3 -2,-0.2 0.827 110.0 53.1 -59.5 -34.1 -19.1 -15.5 -13.8 14 18 A G T 3<5S- 0 0 73 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.395 129.6 -93.8 -83.9 -0.7 -21.1 -12.4 -13.0 15 19 A G T < 5S+ 0 0 72 -3,-1.8 2,-0.6 -4,-0.3 -3,-0.2 0.496 88.6 117.8 105.2 8.2 -24.2 -13.7 -14.9 16 20 A Q < - 0 0 117 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.940 50.5-148.6-112.7 118.0 -23.7 -12.1 -18.4 17 21 A A + 0 0 65 -2,-0.6 33,-0.1 1,-0.1 32,-0.1 -0.414 19.6 177.0 -79.7 156.0 -23.2 -14.5 -21.3 18 22 A T + 0 0 40 31,-0.4 2,-0.2 -2,-0.1 -1,-0.1 0.558 50.3 96.4-126.7 -33.0 -21.1 -13.7 -24.4 19 23 A H - 0 0 29 30,-0.3 35,-0.1 -11,-0.1 34,-0.1 -0.468 67.1-138.0 -64.5 136.8 -21.2 -16.8 -26.6 20 24 A R - 0 0 121 -2,-0.2 35,-0.4 33,-0.1 -1,-0.1 -0.819 11.6-158.0 -96.3 117.4 -23.8 -16.8 -29.4 21 25 A P + 0 0 123 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.445 56.1 97.2 -85.1 2.6 -25.4 -20.2 -29.5 22 26 A G S S- 0 0 50 1,-0.1 33,-0.2 2,-0.0 -2,-0.1 -0.403 87.5 -85.6 -83.8 165.8 -26.8 -20.2 -33.1 23 27 A H - 0 0 171 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.545 33.7-148.9 -71.1 130.1 -25.2 -21.7 -36.2 24 28 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.426 32.5-125.1 -82.2 1.1 -22.8 -19.2 -37.7 25 29 A G - 0 0 30 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.459 63.9 -6.2 85.1-172.6 -23.2 -20.3 -41.3 26 30 A M S S+ 0 0 195 -2,-0.1 0, 0.0 -3,-0.1 0, 0.0 -0.401 71.3 169.8 -69.7 135.7 -20.3 -21.3 -43.5 27 31 A Q - 0 0 87 -2,-0.1 2,-0.1 2,-0.0 29,-0.1 -0.967 33.6-105.2-142.0 155.6 -16.8 -20.9 -42.1 28 32 A P - 0 0 97 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.400 31.6-117.7 -80.6 157.6 -13.2 -21.9 -42.9 29 33 A I S S+ 0 0 114 -2,-0.1 27,-0.1 2,-0.1 54,-0.1 0.845 88.2 92.5 -65.7 -33.2 -11.4 -24.6 -41.0 30 34 A Q S S- 0 0 91 1,-0.1 54,-0.1 2,-0.1 2,-0.1 -0.449 89.4-113.9 -67.7 124.0 -8.7 -22.5 -39.6 31 35 A P > - 0 0 9 0, 0.0 3,-1.4 0, 0.0 26,-0.3 -0.387 22.8-139.1 -59.5 131.6 -9.8 -21.2 -36.1 32 36 A S T 3 S+ 0 0 83 24,-2.3 25,-0.2 1,-0.3 26,-0.1 0.730 100.0 47.6 -74.8 -21.2 -10.2 -17.5 -36.6 33 37 A R T 3 S- 0 0 55 24,-2.4 -1,-0.3 2,-0.2 25,-0.1 0.436 103.9-129.5 -91.9 -0.7 -8.6 -16.5 -33.2 34 38 A R < + 0 0 86 -3,-1.4 52,-2.9 23,-0.4 53,-1.1 0.855 64.9 132.3 60.0 35.6 -5.7 -18.9 -33.8 35 39 A V E -ab 58 87A 0 22,-0.8 24,-2.3 50,-0.2 2,-0.4 -0.915 44.0-162.5-121.0 144.1 -6.3 -20.4 -30.4 36 40 A A E -ab 59 88A 0 51,-2.2 53,-2.4 -2,-0.3 2,-0.4 -0.995 10.4-160.3-119.4 134.6 -6.6 -24.0 -29.1 37 41 A V E -ab 60 89A 0 22,-2.9 24,-3.2 -2,-0.4 2,-0.5 -0.947 4.0-162.7-112.8 134.9 -8.2 -24.7 -25.7 38 42 A V E +ab 61 90A 0 51,-2.5 53,-2.9 -2,-0.4 2,-0.3 -0.981 28.0 156.8-114.1 120.0 -7.6 -28.0 -23.8 39 43 A A E -ab 62 91A 0 22,-2.8 24,-1.8 -2,-0.5 27,-0.5 -0.849 44.5 -85.7-135.3 168.4 -10.2 -28.5 -21.1 40 44 A C E -a 63 0A 6 51,-1.2 24,-0.2 25,-0.3 5,-0.1 -0.456 30.9-127.2 -70.5 152.6 -11.8 -31.2 -19.1 41 45 A M + 0 0 123 22,-1.5 23,-0.1 -2,-0.1 -1,-0.1 0.467 61.8 140.8 -72.6 -7.2 -14.8 -33.1 -20.5 42 46 A D > - 0 0 28 21,-0.3 3,-2.2 1,-0.2 54,-0.0 -0.086 58.6-131.1 -45.8 130.5 -16.8 -32.2 -17.3 43 47 A A T 3 S+ 0 0 100 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.745 102.4 68.0 -60.6 -24.8 -20.4 -31.4 -18.3 44 48 A R T 3 S+ 0 0 92 2,-0.0 2,-0.6 1,-0.0 -1,-0.3 0.572 87.9 80.7 -75.4 -8.4 -20.3 -28.2 -16.2 45 49 A L < + 0 0 3 -3,-2.2 2,-0.6 -5,-0.1 3,-0.1 -0.894 48.9 176.4 -98.0 123.7 -17.8 -26.7 -18.6 46 50 A D > - 0 0 60 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.980 17.7-163.6-113.1 104.8 -19.0 -25.2 -21.8 47 51 A V H > S+ 0 0 0 -2,-0.6 4,-1.8 1,-0.2 6,-0.4 0.904 83.7 48.7 -63.9 -45.1 -15.7 -23.9 -23.0 48 52 A E H >>S+ 0 0 52 1,-0.2 5,-1.6 2,-0.2 4,-0.7 0.921 115.3 47.3 -60.3 -42.1 -17.0 -21.5 -25.7 49 53 A D H >45S+ 0 0 49 3,-0.2 3,-0.6 1,-0.2 -31,-0.4 0.927 111.1 47.7 -65.4 -47.4 -19.5 -20.1 -23.1 50 54 A L H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -38,-0.2 0.759 121.8 36.6 -75.1 -21.4 -17.0 -19.6 -20.2 51 55 A L H 3<5S- 0 0 1 -4,-1.8 -42,-0.3 -5,-0.2 -1,-0.3 0.430 106.6-123.5 -97.1 -5.3 -14.4 -17.9 -22.4 52 56 A G T <<5 + 0 0 1 -4,-0.7 -3,-0.2 -3,-0.6 2,-0.2 0.837 54.2 160.0 59.3 31.6 -17.0 -16.1 -24.6 53 57 A L < - 0 0 1 -5,-1.6 2,-0.3 -6,-0.4 -1,-0.2 -0.542 34.2-134.2 -73.1 152.9 -15.5 -17.7 -27.7 54 58 A Q > - 0 0 47 -2,-0.2 3,-2.2 -35,-0.1 4,-0.4 -0.768 34.9 -86.3 -99.8 154.1 -17.7 -17.7 -30.8 55 59 A T T 3 S+ 0 0 59 -35,-0.4 -1,-0.1 -2,-0.3 -33,-0.0 -0.394 117.7 31.2 -54.3 131.5 -18.2 -20.8 -32.9 56 60 A G T 3 S+ 0 0 30 2,-0.3 -24,-2.3 -29,-0.1 -1,-0.3 0.176 98.2 89.5 105.1 -15.0 -15.4 -20.8 -35.5 57 61 A E S < S+ 0 0 34 -3,-2.2 -24,-2.4 -26,-0.3 -22,-0.8 0.801 85.8 21.4 -91.7 -28.7 -12.7 -19.1 -33.4 58 62 A A E -a 35 0A 18 -4,-0.4 -2,-0.3 -26,-0.1 2,-0.2 -0.993 69.3-113.3-141.5 146.0 -10.9 -21.8 -31.4 59 63 A H E -a 36 0A 45 -24,-2.3 -22,-2.9 -2,-0.3 2,-0.6 -0.582 32.6-151.3 -68.3 141.0 -10.1 -25.5 -31.5 60 64 A I E -a 37 0A 53 -2,-0.2 2,-0.5 -24,-0.2 -22,-0.2 -0.956 16.3-179.7-121.8 104.8 -11.8 -27.1 -28.5 61 65 A I E +a 38 0A 16 -24,-3.2 -22,-2.8 -2,-0.6 2,-0.4 -0.934 7.9 175.9-108.1 125.5 -9.9 -30.2 -27.2 62 66 A R E +a 39 0A 86 -2,-0.5 2,-0.3 -24,-0.2 -22,-0.2 -0.996 9.3 148.5-139.8 135.5 -11.5 -31.9 -24.2 63 67 A N E > -a 40 0A 23 -24,-1.8 -22,-1.5 -2,-0.4 3,-1.2 -0.889 60.6 -57.4-149.7 176.9 -10.7 -35.1 -22.2 64 68 A A T 3 S- 0 0 36 1,-0.3 3,-0.5 -2,-0.3 -24,-0.1 -0.508 127.2 -1.9 -69.3 112.2 -11.0 -36.4 -18.7 65 69 A G T 3 S- 0 0 0 -2,-0.7 -25,-0.3 1,-0.2 -1,-0.3 0.113 104.2 -98.9 97.1 -18.1 -9.1 -33.8 -16.6 66 70 A G < + 0 0 0 -3,-1.2 -1,-0.2 -27,-0.5 -26,-0.2 0.851 68.6 176.3 68.6 31.8 -8.0 -31.7 -19.5 67 71 A V - 0 0 8 -3,-0.5 2,-1.3 -28,-0.1 -1,-0.2 -0.405 37.9-125.1 -75.9 145.7 -4.7 -33.5 -19.2 68 72 A I + 0 0 12 98,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.738 56.1 144.5 -89.5 95.2 -1.9 -33.0 -21.6 69 73 A N > - 0 0 36 -2,-1.3 4,-2.5 104,-0.0 5,-0.2 -0.452 68.3 -72.7-115.5-170.2 -1.3 -36.6 -22.8 70 74 A E H > S+ 0 0 174 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.896 132.0 48.8 -57.6 -41.4 -0.4 -38.1 -26.1 71 75 A D H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.920 109.0 52.3 -66.6 -41.9 -3.7 -37.4 -27.7 72 76 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.927 111.5 47.9 -57.8 -42.3 -3.7 -33.8 -26.5 73 77 A I H X S+ 0 0 9 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.927 108.9 53.5 -65.0 -41.7 -0.3 -33.4 -28.1 74 78 A R H X S+ 0 0 141 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.935 111.3 47.1 -53.1 -47.5 -1.6 -35.0 -31.3 75 79 A C H X S+ 0 0 27 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.914 112.7 47.6 -60.7 -44.4 -4.4 -32.5 -31.3 76 80 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.860 108.8 54.2 -70.2 -36.0 -2.1 -29.5 -30.7 77 81 A I H X>S+ 0 0 36 -4,-2.9 4,-2.5 2,-0.2 5,-0.6 0.939 113.6 42.2 -59.6 -47.3 0.3 -30.6 -33.4 78 82 A I H X>S+ 0 0 65 -4,-2.1 4,-1.8 -5,-0.2 5,-1.5 0.943 112.9 54.7 -62.9 -46.4 -2.5 -30.7 -35.9 79 83 A S H <5S+ 0 0 2 -4,-2.8 6,-2.1 3,-0.2 4,-0.3 0.894 121.4 27.1 -56.0 -47.2 -4.0 -27.5 -34.6 80 84 A H H X5S+ 0 0 9 -4,-2.5 4,-1.6 4,-0.3 -2,-0.2 0.952 125.3 41.8 -79.4 -56.4 -0.8 -25.5 -35.0 81 85 A H H <5S+ 0 0 88 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.826 131.8 21.1 -70.1 -33.6 1.2 -27.2 -37.8 82 86 A L T < - c 0 195A 0 101,-0.3 3,-0.7 -28,-0.2 103,-0.2 -0.994 14.1 -92.4-157.7 161.4 -11.4 -26.9 -13.1 94 98 A T T 3 S+ 0 0 2 101,-2.4 103,-0.1 -2,-0.3 61,-0.1 -0.374 103.4 26.4 -74.2 153.1 -12.5 -27.3 -9.6 95 99 A R T 3 S+ 0 0 51 1,-0.2 -1,-0.2 58,-0.1 2,-0.2 0.782 85.4 172.8 66.5 27.2 -14.4 -30.4 -8.3 96 100 A C X - 0 0 1 -3,-0.7 3,-2.1 1,-0.1 -1,-0.2 -0.453 40.4-132.8 -70.9 139.1 -12.8 -32.5 -11.1 97 101 A G G > S+ 0 0 27 1,-0.3 3,-1.9 -2,-0.2 -1,-0.1 0.733 101.2 74.3 -59.9 -23.4 -13.3 -36.2 -11.1 98 102 A M G 3 S+ 0 0 12 1,-0.3 46,-2.3 2,-0.1 -1,-0.3 0.548 89.8 60.0 -71.7 -5.6 -9.6 -36.7 -11.6 99 103 A L G < S+ 0 0 0 -3,-2.1 50,-2.5 44,-0.2 -1,-0.3 0.432 97.9 62.7 -87.3 -5.4 -9.1 -35.8 -7.9 100 104 A A S < S+ 0 0 12 -3,-1.9 2,-0.3 48,-0.3 51,-0.2 0.266 101.1 27.2-117.0 9.5 -11.3 -38.6 -6.7 101 105 A F - 0 0 43 -3,-0.3 2,-0.3 -4,-0.1 48,-0.1 -0.977 64.0-123.5-157.2 170.1 -9.7 -41.9 -7.7 102 106 A T > - 0 0 49 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.891 25.8-120.1-115.5 156.7 -6.3 -43.6 -8.5 103 107 A D H > S+ 0 0 50 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.919 112.7 52.8 -54.1 -47.4 -5.3 -45.5 -11.6 104 108 A D H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.876 106.8 50.6 -65.8 -38.3 -4.7 -48.6 -9.7 105 109 A L H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.949 114.6 43.0 -63.9 -47.1 -8.1 -48.7 -8.0 106 110 A L H X S+ 0 0 37 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.917 115.1 50.0 -66.5 -41.4 -10.0 -48.3 -11.2 107 111 A R H X S+ 0 0 49 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.942 112.9 46.2 -58.2 -47.6 -7.7 -50.8 -13.1 108 112 A A H X>S+ 0 0 23 -4,-2.5 5,-2.4 -5,-0.2 4,-1.6 0.915 112.0 51.2 -65.7 -38.4 -8.1 -53.4 -10.3 109 113 A G H <5S+ 0 0 0 -4,-2.5 23,-0.4 -5,-0.2 -1,-0.2 0.923 111.8 46.8 -66.3 -40.3 -11.9 -52.9 -10.2 110 114 A L H <5S+ 0 0 57 -4,-2.6 22,-1.3 1,-0.2 23,-1.1 0.911 109.8 54.7 -65.0 -38.6 -12.2 -53.3 -14.0 111 115 A E H <5S- 0 0 92 -4,-2.5 -1,-0.2 21,-0.2 -2,-0.2 0.783 125.6 -99.7 -62.7 -30.3 -10.0 -56.4 -13.9 112 116 A G T <5 + 0 0 34 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.492 62.6 157.5 123.1 4.5 -12.3 -58.0 -11.3 113 117 A D >< - 0 0 87 -5,-2.4 4,-2.7 1,-0.2 -1,-0.3 -0.467 35.1-147.8 -61.3 122.4 -10.7 -57.5 -7.9 114 118 A A H > S+ 0 0 72 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.886 93.8 50.9 -64.9 -39.0 -13.7 -57.8 -5.6 115 119 A A H > S+ 0 0 62 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.958 112.8 45.7 -62.3 -48.5 -12.4 -55.4 -3.0 116 120 A A H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.923 109.3 55.7 -64.2 -41.2 -11.7 -52.7 -5.6 117 121 A E H X S+ 0 0 63 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.938 112.2 42.5 -57.0 -45.0 -15.1 -53.2 -7.3 118 122 A K H X S+ 0 0 90 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.933 112.3 53.6 -68.9 -43.1 -16.9 -52.5 -4.0 119 123 A L H X S+ 0 0 90 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.880 105.6 53.5 -62.9 -36.0 -14.6 -49.6 -3.1 120 124 A I H X S+ 0 0 13 -4,-2.8 4,-1.9 2,-0.2 6,-0.3 0.921 107.9 50.9 -65.2 -37.0 -15.3 -47.9 -6.4 121 125 A G H X>S+ 0 0 17 -4,-1.7 4,-2.0 -5,-0.2 5,-0.5 0.931 110.6 49.4 -61.5 -42.6 -19.1 -48.2 -5.8 122 126 A Q H <5S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.851 113.5 46.7 -66.0 -31.7 -18.5 -46.6 -2.3 123 127 A A H <5S+ 0 0 49 -4,-2.0 28,-0.5 -5,-0.2 -1,-0.2 0.785 121.9 34.5 -77.3 -27.4 -16.5 -43.8 -3.9 124 128 A T H <5S- 0 0 54 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.620 94.2-129.8-104.0 -18.4 -18.9 -43.0 -6.7 125 129 A G T <5S+ 0 0 76 -4,-2.0 2,-0.3 1,-0.3 -3,-0.1 0.705 76.0 99.4 71.3 15.7 -22.3 -43.7 -5.2 126 130 A R S - 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