==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-SEP-08 2V1M . COMPND 2 MOLECULE: GLUTATHIONE PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR D.DIMASTROGIOVANNI,A.E.MIELE,F.ANGELUCCI,G.BOUMIS, . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 10.4 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 . 2 1.2 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 . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 7 A S 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -0.4 -5.4 -15.1 -0.4 2 8 A W - 0 0 102 1,-0.1 3,-0.1 3,-0.0 6,-0.0 -0.256 360.0-177.7 -55.3 134.3 -6.2 -14.0 3.1 3 9 A N + 0 0 106 1,-0.2 2,-0.3 135,-0.0 -1,-0.1 0.544 57.9 3.8-116.0 -10.2 -9.8 -13.0 3.3 4 10 A S S > S- 0 0 12 134,-0.1 3,-1.2 1,-0.0 -1,-0.2 -0.969 76.8 -96.7-163.0 171.3 -10.3 -11.7 6.9 5 11 A I G > S+ 0 0 1 132,-2.0 3,-1.7 -2,-0.3 15,-0.3 0.708 109.1 79.6 -69.7 -16.8 -8.4 -11.0 10.1 6 12 A Y G 3 S+ 0 0 5 1,-0.3 15,-0.6 130,-0.2 -1,-0.2 0.691 78.3 69.8 -68.1 -16.0 -9.5 -14.5 11.4 7 13 A E G < S+ 0 0 82 -3,-1.2 -1,-0.3 13,-0.2 2,-0.2 0.640 86.5 86.3 -72.4 -16.7 -6.8 -16.2 9.4 8 14 A F < - 0 0 8 -3,-1.7 12,-3.1 -4,-0.1 2,-0.4 -0.612 58.5-157.0 -97.9 150.6 -4.0 -14.8 11.5 9 15 A T E +A 19 0A 88 10,-0.3 2,-0.3 -2,-0.2 10,-0.3 -0.959 17.2 179.3-121.7 136.9 -2.4 -16.0 14.7 10 16 A V E -A 18 0A 5 8,-2.5 8,-2.9 -2,-0.4 2,-0.5 -0.959 31.0-112.4-138.1 153.7 -0.6 -13.6 17.1 11 17 A K E -A 17 0A 94 -2,-0.3 85,-2.8 6,-0.3 6,-0.3 -0.761 33.3-138.3 -88.9 126.5 1.2 -13.9 20.4 12 18 A D B > -B 95 0B 31 4,-3.0 3,-2.2 -2,-0.5 83,-0.3 -0.181 33.7 -92.4 -77.0 176.4 -0.6 -12.1 23.3 13 19 A I T 3 S+ 0 0 14 81,-2.3 82,-0.2 1,-0.3 68,-0.1 0.695 126.5 56.1 -69.6 -17.6 1.3 -10.1 25.9 14 20 A N T 3 S- 0 0 98 80,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.352 123.7-102.5 -88.8 2.5 1.6 -13.1 28.2 15 21 A G S < S+ 0 0 40 -3,-2.2 2,-0.6 1,-0.3 -2,-0.1 0.517 79.2 136.9 87.1 9.0 3.3 -15.1 25.4 16 22 A V - 0 0 83 -5,-0.0 -4,-3.0 1,-0.0 -1,-0.3 -0.787 50.5-135.6 -93.8 120.6 0.2 -17.1 24.6 17 23 A D E -A 11 0A 98 -2,-0.6 2,-0.4 -6,-0.3 -6,-0.3 -0.552 26.9-177.4 -76.0 140.8 -0.5 -17.6 20.9 18 24 A V E -A 10 0A 30 -8,-2.9 -8,-2.5 -2,-0.3 2,-0.4 -1.000 25.0-130.3-141.0 133.4 -4.1 -17.0 19.9 19 25 A S E > -A 9 0A 45 -2,-0.4 3,-2.2 -10,-0.3 -10,-0.3 -0.678 23.0-128.2 -77.1 140.0 -5.8 -17.2 16.5 20 26 A L G > S+ 0 0 0 -12,-3.1 3,-2.3 -2,-0.4 -13,-0.2 0.564 96.4 94.4 -71.2 -1.8 -7.9 -14.2 15.7 21 27 A E G > + 0 0 88 -15,-0.6 3,-1.9 -13,-0.3 -1,-0.3 0.786 69.5 77.3 -49.1 -29.4 -10.8 -16.6 15.1 22 28 A K G < S+ 0 0 122 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.771 90.4 52.9 -47.8 -32.9 -11.4 -15.6 18.7 23 29 A Y G X S+ 0 0 3 -3,-2.3 3,-2.3 -4,-0.1 -1,-0.3 0.328 74.1 138.5 -96.6 7.2 -12.9 -12.3 17.4 24 30 A R T < S+ 0 0 140 -3,-1.9 112,-0.1 1,-0.3 3,-0.1 -0.265 75.7 14.4 -55.7 131.7 -15.4 -13.8 14.9 25 31 A G T 3 S+ 0 0 29 110,-1.5 2,-0.3 1,-0.3 -1,-0.3 0.376 107.1 102.1 86.4 -4.3 -18.7 -11.8 15.1 26 32 A H S < S- 0 0 57 -3,-2.3 2,-0.4 108,-0.2 111,-0.3 -0.835 74.6-117.1-110.8 147.8 -17.2 -8.9 17.1 27 33 A V E -c 59 0C 0 31,-1.6 33,-2.8 -2,-0.3 2,-0.4 -0.706 36.9-155.7 -77.4 134.8 -16.2 -5.4 15.9 28 34 A C E -cD 60 133C 1 105,-2.3 105,-2.9 -2,-0.4 2,-0.5 -0.933 18.9-162.2-119.7 140.8 -12.5 -4.9 16.4 29 35 A L E -cD 61 132C 0 31,-2.3 33,-2.7 -2,-0.4 2,-0.6 -0.983 17.5-162.0-115.7 113.0 -10.4 -1.8 16.8 30 36 A I E +cD 62 131C 0 101,-2.9 101,-2.4 -2,-0.5 2,-0.4 -0.901 11.9 179.6-106.4 121.7 -6.8 -2.7 16.1 31 37 A V E -cD 63 130C 0 31,-2.9 33,-2.8 -2,-0.6 2,-0.4 -0.967 25.5-141.5-128.2 130.0 -4.2 -0.2 17.4 32 38 A N E -c 64 0C 0 97,-1.3 96,-2.4 -2,-0.4 2,-0.2 -0.818 36.7-165.8 -87.2 133.1 -0.4 -0.2 17.3 33 39 A V E -c 65 0C 0 31,-2.2 33,-1.9 -2,-0.4 2,-0.3 -0.716 24.0-174.7-124.5 166.4 0.8 1.2 20.6 34 40 A A - 0 0 0 -2,-0.2 3,-0.4 31,-0.2 39,-0.2 -0.947 20.5-145.7-156.5 144.5 3.9 2.6 22.4 35 41 A C S S+ 0 0 9 37,-0.4 38,-0.2 -2,-0.3 6,-0.1 0.649 91.8 56.4 -86.1 -18.5 4.5 3.6 26.0 36 42 A K S S+ 0 0 118 36,-2.4 2,-0.3 4,-0.1 -1,-0.2 -0.327 79.6 107.9-116.7 50.0 6.9 6.5 25.4 37 43 A X S > S- 0 0 39 -3,-0.4 3,-1.8 35,-0.1 4,-0.4 -0.894 75.6-118.2-122.6 152.1 4.9 8.9 23.1 38 44 A G T 3 S+ 0 0 82 -2,-0.3 4,-0.2 1,-0.3 3,-0.1 0.681 116.8 45.9 -64.3 -17.5 3.3 12.2 23.9 39 45 A A T 3> S+ 0 0 21 1,-0.1 4,-2.4 2,-0.1 -1,-0.3 0.232 81.6 102.0-105.8 8.4 -0.1 10.8 23.0 40 46 A T H <> S+ 0 0 3 -3,-1.8 4,-2.6 1,-0.2 5,-0.3 0.939 83.0 47.3 -56.6 -51.4 0.3 7.6 25.0 41 47 A D H > S+ 0 0 73 -4,-0.4 4,-2.8 1,-0.2 5,-0.3 0.951 113.3 45.5 -58.7 -50.9 -1.8 8.8 27.9 42 48 A K H > S+ 0 0 133 -4,-0.2 4,-2.3 1,-0.2 5,-0.2 0.907 115.0 47.6 -64.6 -40.1 -4.7 10.2 25.8 43 49 A N H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.959 115.7 43.0 -64.8 -51.4 -4.9 7.1 23.6 44 50 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.913 114.9 50.4 -62.5 -40.9 -4.8 4.5 26.4 45 51 A R H X S+ 0 0 111 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.950 114.8 42.7 -61.7 -48.9 -7.3 6.5 28.6 46 52 A Q H X S+ 0 0 36 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.893 113.4 52.2 -67.3 -40.6 -9.8 6.9 25.7 47 53 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.896 109.8 49.0 -59.8 -42.3 -9.4 3.3 24.6 48 54 A Q H X S+ 0 0 24 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.900 111.9 49.2 -65.8 -39.1 -10.0 2.0 28.2 49 55 A E H X S+ 0 0 89 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.894 112.5 47.8 -62.8 -42.4 -13.1 4.2 28.4 50 56 A M H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.913 109.8 52.1 -69.0 -38.3 -14.4 2.9 25.1 51 57 A H H X S+ 0 0 22 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.941 111.4 48.0 -54.2 -50.4 -13.7 -0.7 26.1 52 58 A T H < S+ 0 0 86 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.890 116.3 43.2 -63.8 -36.7 -15.7 -0.1 29.3 53 59 A R H < S+ 0 0 160 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.859 129.2 22.7 -71.3 -37.0 -18.6 1.5 27.4 54 60 A L H >X>S+ 0 0 1 -4,-2.5 5,-1.9 -5,-0.2 3,-1.4 0.525 88.8 92.4-120.3 -8.2 -18.8 -0.9 24.4 55 61 A V G ><5S+ 0 0 44 -4,-2.8 3,-1.3 1,-0.3 -3,-0.1 0.903 91.2 53.5 -57.8 -39.2 -17.3 -4.3 25.3 56 62 A G G 345S+ 0 0 81 -5,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.658 106.4 53.4 -67.7 -18.4 -20.7 -5.6 26.3 57 63 A K G <45S- 0 0 118 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.449 132.6 -85.7 -94.2 -5.9 -22.1 -4.5 22.9 58 64 A G T <<5S+ 0 0 5 -3,-1.3 -31,-1.6 -4,-0.6 2,-0.4 0.512 79.2 139.3 116.0 7.6 -19.5 -6.4 20.9 59 65 A L E < -c 27 0C 0 -5,-1.9 2,-0.4 -33,-0.2 -1,-0.3 -0.717 26.7-172.5 -81.9 134.9 -16.4 -4.2 20.6 60 66 A R E -c 28 0C 61 -33,-2.8 -31,-2.3 -2,-0.4 2,-0.5 -0.994 8.0-157.1-124.1 124.3 -13.0 -5.8 21.1 61 67 A I E -c 29 0C 2 -2,-0.4 32,-2.0 -33,-0.2 2,-0.5 -0.881 6.9-166.2-100.9 130.0 -9.9 -3.5 21.2 62 68 A L E -ce 30 93C 0 -33,-2.7 -31,-2.9 -2,-0.5 2,-0.5 -0.982 2.3-162.3-120.2 123.3 -6.6 -5.2 20.3 63 69 A A E -ce 31 94C 0 30,-2.7 32,-2.4 -2,-0.5 -31,-0.2 -0.932 3.5-169.1-116.5 120.8 -3.3 -3.3 21.1 64 70 A F E -c 32 0C 0 -33,-2.8 -31,-2.2 -2,-0.5 33,-0.1 -0.912 17.0-139.9-109.7 107.4 -0.1 -4.3 19.4 65 71 A P E -c 33 0C 0 0, 0.0 33,-2.4 0, 0.0 2,-0.3 -0.372 25.7-179.6 -61.9 146.5 3.1 -2.8 20.8 66 72 A C - 0 0 0 -33,-1.9 3,-0.3 31,-0.2 33,-0.1 -0.966 26.1-164.0-154.7 130.8 5.6 -1.7 18.2 67 73 A N + 0 0 60 31,-0.4 4,-0.4 -2,-0.3 32,-0.1 0.012 65.1 101.1-103.7 24.4 9.1 -0.2 18.5 68 74 A Q + 0 0 70 30,-0.2 2,-0.6 1,-0.1 -1,-0.2 0.518 67.4 74.1 -84.6 -5.4 9.4 1.1 14.9 69 75 A F S > S- 0 0 13 -3,-0.3 3,-1.2 1,-0.1 -1,-0.1 -0.859 123.8 -39.1-121.4 96.7 8.6 4.7 15.7 70 76 A G T 3 S- 0 0 57 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.678 98.6 -77.7 68.6 18.8 11.2 6.8 17.4 71 77 A G T 3 S+ 0 0 43 -4,-0.4 -1,-0.3 1,-0.1 -3,-0.1 0.850 89.2 146.8 56.5 38.6 12.2 3.9 19.7 72 78 A Q < + 0 0 39 -3,-1.2 -36,-2.4 1,-0.2 -37,-0.4 0.447 62.2 48.0 -93.3 3.9 9.1 4.6 21.7 73 79 A E + 0 0 0 -39,-0.2 -1,-0.2 -38,-0.2 -6,-0.1 -0.480 65.9 142.4-132.2 61.9 8.3 1.0 22.8 74 80 A P + 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.718 43.3 93.0 -75.9 -21.4 11.7 -0.1 24.0 75 81 A W S S- 0 0 54 1,-0.1 2,-0.1 -3,-0.1 -40,-0.1 -0.248 77.0-111.0 -75.1 162.0 10.5 -2.3 26.9 76 82 A A >> - 0 0 62 1,-0.1 4,-2.4 20,-0.0 3,-0.5 -0.389 40.6 -92.1 -82.7 172.2 9.8 -6.0 26.9 77 83 A E H 3> S+ 0 0 57 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.831 120.4 54.1 -58.6 -44.8 6.3 -7.4 27.3 78 84 A A H 3> S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.913 112.9 44.5 -60.9 -40.8 6.2 -7.9 31.1 79 85 A E H <> S+ 0 0 101 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.882 112.7 50.5 -70.8 -40.9 7.1 -4.2 31.6 80 86 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.942 112.0 49.3 -56.8 -48.9 4.7 -2.9 29.0 81 87 A K H X S+ 0 0 80 -4,-2.8 4,-2.3 -5,-0.2 5,-0.3 0.935 112.5 46.4 -58.5 -48.4 1.9 -5.0 30.6 82 88 A K H X S+ 0 0 120 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.924 112.7 51.2 -61.2 -43.5 2.7 -3.7 34.1 83 89 A F H X S+ 0 0 51 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.952 115.3 38.5 -59.6 -52.5 2.9 -0.1 32.9 84 90 A V H X>S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 6,-1.2 0.851 118.1 48.8 -74.0 -33.5 -0.4 -0.0 31.0 85 91 A T H X5S+ 0 0 52 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.938 117.2 40.6 -70.5 -44.9 -2.3 -2.1 33.6 86 92 A E H <5S+ 0 0 135 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.853 123.3 38.3 -72.4 -35.2 -1.1 -0.1 36.6 87 93 A K H <5S+ 0 0 88 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.867 135.6 14.0 -83.5 -39.9 -1.4 3.3 35.0 88 94 A Y H <5S- 0 0 15 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.508 89.8-124.2-115.3 -11.3 -4.6 3.0 32.9 89 95 A G << - 0 0 36 -4,-1.2 -4,-0.2 -5,-0.5 -3,-0.1 0.867 36.1-159.3 64.1 38.1 -6.3 -0.2 34.2 90 96 A V + 0 0 15 -6,-1.2 -1,-0.2 1,-0.2 4,-0.1 -0.259 25.1 169.8 -55.3 125.8 -6.3 -1.6 30.6 91 97 A Q + 0 0 126 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.446 50.2 90.5-113.4 -9.8 -9.0 -4.4 30.4 92 98 A F S S- 0 0 10 1,-0.1 2,-0.5 -32,-0.0 -30,-0.1 -0.142 93.6 -69.0 -79.7-179.8 -8.8 -4.8 26.6 93 99 A D E -e 62 0C 44 -32,-2.0 -30,-2.7 -81,-0.0 2,-0.4 -0.655 46.4-164.7 -87.8 125.3 -6.5 -7.3 24.8 94 100 A M E -e 63 0C 17 -2,-0.5 -81,-2.3 -32,-0.2 -80,-0.3 -0.822 7.4-162.6-105.2 141.9 -2.8 -6.6 24.8 95 101 A F B -B 12 0B 3 -32,-2.4 -83,-0.3 -2,-0.4 2,-0.1 -0.683 25.8 -90.8-118.7 166.6 -0.3 -8.4 22.5 96 102 A S - 0 0 11 -85,-2.8 -83,-0.1 -2,-0.2 -1,-0.1 -0.393 60.9 -78.9 -70.5 158.7 3.4 -9.0 22.2 97 103 A K + 0 0 65 -33,-0.1 2,-0.3 -84,-0.1 -31,-0.2 -0.296 58.5 166.4 -65.6 139.3 5.5 -6.6 20.3 98 104 A I - 0 0 28 -33,-2.4 -31,-0.4 -3,-0.1 2,-0.4 -0.861 36.6-105.7-137.4 173.0 5.5 -6.8 16.5 99 105 A K - 0 0 101 5,-0.4 7,-2.7 -2,-0.3 10,-0.2 -0.840 20.6-172.8 -99.5 147.9 6.6 -4.8 13.4 100 106 A V + 0 0 0 -2,-0.4 2,-0.3 5,-0.2 24,-0.2 0.568 68.6 49.9-112.5 -18.4 3.9 -3.1 11.4 101 107 A N S S+ 0 0 16 22,-0.1 3,-0.3 3,-0.0 -1,-0.1 -0.866 90.4 27.1-122.5 156.9 6.0 -1.9 8.4 102 108 A G S > S- 0 0 48 -2,-0.3 3,-1.7 1,-0.2 -3,-0.0 -0.145 101.7 -56.1 83.9 177.7 8.6 -3.6 6.2 103 109 A S T 3 S+ 0 0 96 1,-0.3 -1,-0.2 -2,-0.0 7,-0.0 0.666 133.4 54.9 -73.0 -14.7 8.9 -7.2 5.1 104 110 A D T 3 S+ 0 0 121 -3,-0.3 -5,-0.4 2,-0.0 -1,-0.3 0.287 78.8 127.2 -97.7 9.1 9.1 -8.5 8.7 105 111 A A S < S- 0 0 5 -3,-1.7 -5,-0.2 1,-0.1 -3,-0.1 -0.301 75.8 -91.9 -57.1 147.3 5.8 -6.8 9.6 106 112 A D >> - 0 0 40 -7,-2.7 4,-2.1 1,-0.1 3,-0.9 -0.340 33.1-119.5 -56.0 141.8 3.3 -9.2 11.2 107 113 A D H 3> S+ 0 0 73 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.829 113.3 64.6 -56.3 -29.6 1.0 -10.7 8.5 108 114 A L H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.925 106.6 42.3 -59.5 -44.3 -2.0 -9.2 10.3 109 115 A Y H <> S+ 0 0 0 -3,-0.9 4,-2.6 -10,-0.2 5,-0.2 0.856 109.8 55.7 -74.2 -34.3 -0.6 -5.7 9.5 110 116 A K H X S+ 0 0 80 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.943 113.2 44.7 -55.2 -45.0 0.4 -6.7 6.0 111 117 A F H X S+ 0 0 2 -4,-2.7 4,-0.9 -5,-0.2 -2,-0.2 0.936 111.6 50.1 -64.3 -51.3 -3.3 -7.7 5.6 112 118 A L H >X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 3,-1.2 0.943 113.2 46.6 -54.2 -49.4 -4.7 -4.6 7.3 113 119 A K H 3< S+ 0 0 24 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.795 107.0 58.5 -65.8 -26.7 -2.6 -2.3 5.1 114 120 A S H 3< S+ 0 0 84 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.670 111.9 41.9 -73.7 -17.5 -3.7 -4.3 2.0 115 121 A R H << S+ 0 0 81 -3,-1.2 2,-0.4 -4,-0.9 -2,-0.2 0.719 120.1 33.4-100.8 -30.0 -7.3 -3.5 2.8 116 122 A Q S < S- 0 0 59 -4,-1.6 -1,-0.3 6,-0.1 2,-0.2 -0.960 75.4-141.5-136.7 117.5 -7.3 0.2 3.8 117 123 A H - 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