==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-APR-10 2XC2 . COMPND 2 MOLECULE: THIOREDOXINN; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR G.BOUMIS,A.E.MIELE,D.DIMASTROGIOVANNI,F.ANGELUCCI,A.BELLELLI . 110 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 12.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 14 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 1 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 -3 A Q 0 0 248 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.3 30.7 6.9 2.2 2 -2 A L - 0 0 131 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.988 360.0-147.5-159.0 163.0 28.8 6.1 5.5 3 -1 A V - 0 0 139 -2,-0.3 2,-0.3 3,-0.0 51,-0.1 -0.961 26.4-126.2-125.3 148.4 26.2 4.0 7.4 4 0 A I - 0 0 50 49,-0.6 2,-1.5 -2,-0.3 51,-0.1 -0.706 21.6-117.1 -94.4 143.0 24.1 5.1 10.3 5 1 A M - 0 0 169 -2,-0.3 2,-0.2 2,-0.0 -1,-0.0 -0.673 56.4-177.5 -73.8 93.0 23.9 3.3 13.5 6 2 A S - 0 0 59 -2,-1.5 2,-0.3 50,-0.1 52,-0.1 -0.496 24.7-161.0-101.5 163.4 20.2 2.6 13.0 7 3 A E E +a 58 0A 62 50,-0.7 52,-2.9 45,-0.3 2,-0.4 -0.938 9.6 176.4-146.2 126.3 17.4 0.9 15.0 8 4 A L E +a 59 0A 64 -2,-0.3 2,-0.4 50,-0.2 52,-0.2 -0.983 16.7 176.6-129.7 116.3 14.1 -0.4 13.9 9 5 A I E -a 60 0A 44 50,-2.6 52,-2.5 -2,-0.4 2,-0.5 -0.979 22.7-152.2-129.5 131.0 12.1 -2.1 16.6 10 6 A E E -a 61 0A 107 -2,-0.4 52,-0.2 50,-0.2 2,-0.1 -0.914 23.6-140.3-101.8 126.7 8.6 -3.7 16.6 11 7 A L - 0 0 15 50,-2.5 52,-0.4 -2,-0.5 3,-0.1 -0.366 11.9-163.1 -86.3 163.9 6.9 -3.6 20.1 12 8 A K + 0 0 161 1,-0.4 2,-0.3 -2,-0.1 -1,-0.1 0.716 60.7 4.3-121.7 -30.5 4.8 -6.4 21.5 13 9 A Q S > S- 0 0 127 54,-0.1 3,-2.3 55,-0.0 -1,-0.4 -0.991 85.9 -70.7-157.2 156.9 2.6 -5.2 24.5 14 10 A D T 3 S+ 0 0 40 52,-0.6 54,-0.1 -2,-0.3 53,-0.0 -0.193 116.1 40.1 -50.5 139.7 1.7 -2.1 26.4 15 11 A G T 3> S+ 0 0 35 52,-0.1 4,-2.2 -3,-0.0 -1,-0.3 -0.143 88.7 96.1 103.3 -29.5 4.6 -0.8 28.6 16 12 A D H <> S+ 0 0 50 -3,-2.3 4,-2.1 1,-0.2 -2,-0.1 0.814 81.9 50.5 -65.5 -33.3 7.1 -1.5 25.8 17 13 A L H > S+ 0 0 0 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.948 110.7 47.9 -69.1 -44.7 7.1 2.1 24.5 18 14 A E H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.896 113.4 49.4 -59.7 -41.2 7.6 3.6 27.9 19 15 A S H X S+ 0 0 74 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.917 111.6 49.0 -63.1 -42.2 10.5 1.1 28.5 20 16 A L H X S+ 0 0 6 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.889 108.1 53.0 -66.5 -40.3 12.0 2.0 25.1 21 17 A L H < S+ 0 0 23 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.878 111.6 46.3 -62.1 -36.7 11.8 5.7 25.7 22 18 A E H >< S+ 0 0 124 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.796 111.4 52.1 -73.9 -30.4 13.6 5.2 29.0 23 19 A Q H 3< S+ 0 0 136 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.743 117.2 38.6 -76.8 -26.1 16.2 3.0 27.4 24 20 A H T >< S+ 0 0 33 -4,-1.5 3,-1.5 -5,-0.2 -1,-0.2 -0.448 72.5 159.9-123.6 57.6 16.9 5.6 24.7 25 21 A K T < S+ 0 0 121 -3,-0.6 62,-0.3 1,-0.3 -1,-0.1 0.777 71.7 37.9 -58.3 -37.7 16.8 8.9 26.6 26 22 A N T 3 S+ 0 0 147 61,-0.1 2,-0.3 60,-0.1 -1,-0.3 0.180 97.1 93.5-107.3 18.7 18.7 11.2 24.2 27 23 A K S < S- 0 0 59 -3,-1.5 60,-0.4 -6,-0.2 2,-0.3 -0.797 78.3-114.2-101.3 149.1 17.5 9.9 20.8 28 24 A L - 0 0 9 28,-0.4 30,-2.6 -2,-0.3 2,-0.4 -0.666 34.9-151.7 -69.5 136.9 14.6 11.1 18.7 29 25 A V E -bC 58 85A 2 56,-2.6 56,-2.9 -2,-0.3 2,-0.5 -0.970 9.6-164.9-117.8 130.6 12.1 8.3 18.6 30 26 A V E -bC 59 84A 0 28,-3.0 30,-3.1 -2,-0.4 2,-0.6 -0.962 9.2-161.9-121.2 114.8 9.8 8.0 15.6 31 27 A V E -bC 60 83A 0 52,-3.1 52,-2.6 -2,-0.5 2,-0.8 -0.867 10.3-157.7-109.3 121.8 6.7 5.7 16.1 32 28 A D E -bC 61 82A 1 28,-3.3 30,-3.1 -2,-0.6 2,-0.7 -0.851 9.7-161.0 -93.0 103.9 4.7 4.2 13.4 33 29 A F E +bC 62 81A 0 48,-3.1 48,-2.0 -2,-0.8 2,-0.2 -0.812 29.4 160.3 -85.0 114.4 1.2 3.3 14.8 34 30 A F E -b 63 0A 22 28,-2.6 30,-2.8 -2,-0.7 2,-0.4 -0.773 34.4-132.2-130.6 169.8 -0.2 0.8 12.3 35 31 A A > - 0 0 1 -2,-0.2 3,-1.4 28,-0.2 7,-0.1 -0.971 19.7-129.8-127.3 148.5 -2.8 -2.0 12.0 36 32 A T T 3 S+ 0 0 87 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.836 111.1 47.4 -56.7 -35.5 -2.5 -5.5 10.5 37 33 A W T 3 S+ 0 0 168 -3,-0.0 2,-0.7 4,-0.0 -1,-0.3 0.180 86.4 109.2 -95.0 14.1 -5.6 -4.9 8.3 38 34 A a <> - 0 0 8 -3,-1.4 4,-1.7 1,-0.2 5,-0.2 -0.845 50.3-164.8-101.1 112.0 -4.5 -1.5 7.0 39 35 A G H > S+ 0 0 38 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.934 90.7 51.6 -58.5 -50.8 -3.4 -1.5 3.3 40 36 A P H > S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.851 106.4 56.9 -58.5 -33.1 -1.6 1.9 3.5 41 37 A a H > S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.929 107.9 46.1 -61.0 -47.0 0.3 0.7 6.5 42 38 A K H < S+ 0 0 132 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.903 111.8 52.2 -65.6 -39.2 1.7 -2.3 4.6 43 39 A T H < S+ 0 0 108 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.894 114.4 40.9 -62.5 -43.9 2.6 -0.2 1.6 44 40 A I H >X S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.2 3,-0.9 0.724 92.3 86.6 -79.5 -18.5 4.5 2.4 3.6 45 41 A A H 3X S+ 0 0 27 -4,-1.6 4,-2.5 1,-0.3 5,-0.2 0.891 88.8 48.6 -56.9 -44.5 6.3 -0.1 5.9 46 42 A P H 3> S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.832 111.3 51.0 -65.9 -24.3 9.2 -0.8 3.5 47 43 A L H <> S+ 0 0 83 -3,-0.9 4,-2.2 -4,-0.4 -2,-0.2 0.852 108.5 51.1 -74.5 -38.0 9.7 3.0 3.1 48 44 A F H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.921 109.0 52.3 -62.8 -42.6 9.8 3.5 6.8 49 45 A K H X S+ 0 0 102 -4,-2.5 4,-0.7 -5,-0.2 -2,-0.2 0.932 109.5 49.2 -56.4 -48.4 12.4 0.7 7.0 50 46 A E H >< S+ 0 0 85 -4,-2.1 3,-1.1 1,-0.2 4,-0.2 0.910 108.5 52.9 -60.7 -39.7 14.4 2.6 4.3 51 47 A L H >X S+ 0 0 7 -4,-2.2 3,-2.2 1,-0.3 4,-0.8 0.869 98.6 64.0 -61.7 -36.4 14.2 5.8 6.3 52 48 A S H 3< S+ 0 0 4 -4,-1.9 -45,-0.3 1,-0.3 5,-0.3 0.732 97.9 57.4 -63.8 -20.0 15.5 4.1 9.4 53 49 A E T << S+ 0 0 79 -3,-1.1 -49,-0.6 -4,-0.7 -1,-0.3 0.521 105.5 50.8 -81.7 -8.8 18.8 3.6 7.5 54 50 A K T <4 S+ 0 0 120 -3,-2.2 2,-0.4 -4,-0.2 -2,-0.2 0.582 104.6 52.9-108.0 -17.3 19.2 7.3 6.9 55 51 A Y S < S- 0 0 36 -4,-0.8 2,-2.2 -3,-0.1 -1,-0.2 -0.988 73.5-127.2-131.9 137.0 18.7 8.9 10.3 56 52 A D S S+ 0 0 71 -2,-0.4 -28,-0.4 -50,-0.1 2,-0.3 -0.528 75.1 109.6 -77.6 71.5 20.3 8.4 13.8 57 53 A A S S- 0 0 0 -2,-2.2 -50,-0.7 -5,-0.3 2,-0.6 -0.851 76.7-103.0-134.1 169.0 16.9 8.0 15.4 58 54 A I E -ab 7 29A 4 -30,-2.6 -28,-3.0 -2,-0.3 2,-0.5 -0.920 33.9-156.3 -98.5 117.4 15.0 5.0 17.0 59 55 A F E -ab 8 30A 0 -52,-2.9 -50,-2.6 -2,-0.6 2,-0.4 -0.838 14.2-170.8 -97.4 128.2 12.3 3.9 14.6 60 56 A V E -ab 9 31A 0 -30,-3.1 -28,-3.3 -2,-0.5 2,-0.5 -0.940 16.8-155.0-126.3 141.0 9.5 2.0 16.2 61 57 A K E -ab 10 32A 26 -52,-2.5 -50,-2.5 -2,-0.4 2,-0.4 -0.966 13.8-175.7-114.3 128.7 6.5 0.0 14.9 62 58 A V E - b 0 33A 0 -30,-3.1 -28,-2.6 -2,-0.5 2,-0.6 -0.966 18.3-147.6-127.2 114.5 3.4 -0.3 17.1 63 59 A D E >> - b 0 34A 7 -2,-0.4 4,-1.8 -52,-0.4 3,-1.1 -0.730 15.3-144.3 -78.9 118.4 0.4 -2.4 16.2 64 60 A V T 34 S+ 0 0 14 -30,-2.8 7,-0.2 -2,-0.6 -1,-0.2 0.703 97.7 53.5 -59.6 -23.5 -2.6 -0.5 17.6 65 61 A D T 34 S+ 0 0 86 -31,-0.3 3,-0.3 1,-0.1 -1,-0.3 0.670 110.9 45.4 -87.3 -17.4 -4.4 -3.8 18.5 66 62 A K T <4 S+ 0 0 129 -3,-1.1 -52,-0.6 1,-0.2 -2,-0.2 0.734 122.6 34.7 -91.1 -25.2 -1.4 -5.2 20.4 67 63 A L S X S+ 0 0 0 -4,-1.8 4,-2.3 -54,-0.2 -1,-0.2 -0.579 71.9 157.4-125.7 64.5 -0.7 -2.1 22.4 68 64 A E H > S+ 0 0 114 -3,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.856 72.3 50.6 -60.5 -39.3 -4.2 -0.8 22.9 69 65 A E H > S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.868 111.0 50.0 -67.4 -37.0 -3.4 1.4 25.9 70 66 A T H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.904 110.4 49.2 -70.2 -41.1 -0.5 3.0 24.1 71 67 A A H <>S+ 0 0 11 -4,-2.3 5,-2.5 -7,-0.2 -2,-0.2 0.919 113.2 47.7 -61.1 -42.4 -2.7 3.8 21.1 72 68 A R H ><5S+ 0 0 166 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.921 109.7 53.4 -63.5 -43.8 -5.3 5.3 23.4 73 69 A K H 3<5S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.853 112.3 43.7 -62.3 -36.8 -2.6 7.3 25.2 74 70 A Y T 3<5S- 0 0 29 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.326 111.5-121.8 -93.0 9.0 -1.4 8.8 22.0 75 71 A N T < 5 - 0 0 140 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.847 40.6-175.6 56.6 40.3 -4.9 9.4 20.7 76 72 A I < + 0 0 30 -5,-2.5 -1,-0.2 1,-0.2 3,-0.1 -0.522 20.2 155.9 -69.6 122.6 -4.5 7.3 17.6 77 73 A S + 0 0 110 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.442 62.2 30.6-127.5 0.2 -7.6 7.5 15.4 78 74 A A S S- 0 0 40 -45,-0.1 -1,-0.3 18,-0.0 18,-0.1 -0.957 85.4 -93.1-153.7 158.1 -6.3 6.7 11.9 79 75 A M S S+ 0 0 47 -2,-0.3 -38,-0.2 1,-0.2 18,-0.2 -0.997 95.5 30.2-137.9 135.8 -3.5 4.5 10.6 80 76 A P S S+ 0 0 0 0, 0.0 16,-3.1 0, 0.0 2,-0.4 0.457 73.8 167.4 -81.2 146.1 -0.7 4.8 9.8 81 77 A T E -CD 33 95A 7 -48,-2.0 -48,-3.1 14,-0.2 2,-0.5 -0.999 19.5-155.7-119.6 127.8 0.0 7.7 12.3 82 78 A F E -CD 32 94A 0 12,-2.9 12,-2.3 -2,-0.4 2,-0.5 -0.913 8.8-167.4-105.5 123.7 3.7 8.6 12.8 83 79 A I E -CD 31 93A 1 -52,-2.6 -52,-3.1 -2,-0.5 2,-0.5 -0.955 10.1-151.2-114.6 127.8 4.6 10.3 16.1 84 80 A A E -CD 30 92A 0 8,-2.1 7,-2.8 -2,-0.5 8,-1.2 -0.841 15.0-170.4 -95.8 128.2 8.0 12.0 16.8 85 81 A I E -CD 29 90A 1 -56,-2.9 -56,-2.6 -2,-0.5 2,-0.4 -0.987 5.0-177.9-124.3 122.4 9.0 11.9 20.5 86 82 A K E > S- D 0 89A 80 3,-2.6 3,-2.1 -2,-0.5 -58,-0.1 -0.987 74.1 -6.0-126.5 130.7 11.9 13.9 21.8 87 83 A N T 3 S- 0 0 130 -2,-0.4 -1,-0.2 -60,-0.4 -61,-0.1 0.849 131.8 -56.8 52.6 37.8 13.1 13.8 25.4 88 84 A G T 3 S+ 0 0 41 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.333 117.8 105.4 79.9 -4.7 10.0 11.7 26.1 89 85 A E E < S-D 86 0A 141 -3,-2.1 -3,-2.6 1,-0.0 -1,-0.2 -0.888 76.7-108.1-115.0 140.5 7.5 14.2 24.8 90 86 A K E +D 85 0A 96 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.373 37.3 168.9 -59.0 124.3 5.5 14.4 21.6 91 87 A V E - 0 0 52 -7,-2.8 2,-0.3 1,-0.4 -6,-0.2 0.527 60.9 -13.7-115.2 -15.8 6.8 17.0 19.3 92 88 A G E -D 84 0A 16 -8,-1.2 -8,-2.1 2,-0.0 -1,-0.4 -0.973 52.1-152.3-170.3 168.8 4.9 16.2 16.1 93 89 A D E -D 83 0A 74 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.987 7.1-154.4-146.4 157.4 2.8 13.8 14.1 94 90 A V E -D 82 0A 15 -12,-2.3 -12,-2.9 -2,-0.3 2,-0.6 -0.991 14.5-156.8-128.2 122.6 2.0 12.8 10.6 95 91 A V E +D 81 0A 91 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.1 -0.887 60.7 20.4-106.1 114.5 -1.4 11.2 10.0 96 92 A G S S- 0 0 24 -16,-3.1 2,-2.1 -2,-0.6 -14,-0.2 -0.292 103.1 -56.6 110.6 163.8 -1.5 9.1 6.9 97 93 A A S S+ 0 0 54 -18,-0.2 2,-0.5 -2,-0.1 3,-0.1 -0.480 75.1 135.3 -85.5 72.1 0.9 7.3 4.6 98 94 A S > - 0 0 39 -2,-2.1 4,-2.2 1,-0.1 5,-0.1 -0.842 27.5-179.5-121.5 94.3 3.2 10.2 3.6 99 95 A I H > S+ 0 0 47 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.818 84.4 57.6 -62.4 -31.4 6.9 9.2 3.8 100 96 A A H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.931 107.9 45.2 -64.6 -47.2 7.9 12.7 2.6 101 97 A K H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.894 111.6 53.2 -64.9 -34.9 6.1 14.3 5.6 102 98 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.945 111.2 46.0 -61.6 -48.1 7.5 11.8 8.0 103 99 A E H X S+ 0 0 54 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.916 110.4 53.1 -62.8 -42.9 11.0 12.6 6.7 104 100 A D H X S+ 0 0 90 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.889 109.3 50.5 -54.1 -43.1 10.3 16.3 6.9 105 101 A M H X S+ 0 0 14 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.917 110.7 47.8 -63.2 -43.6 9.3 15.8 10.6 106 102 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.4 0.944 108.8 54.1 -62.6 -46.8 12.4 13.9 11.4 107 103 A K H < S+ 0 0 122 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.866 108.9 51.3 -52.7 -41.0 14.6 16.6 9.7 108 104 A K H < S+ 0 0 157 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.847 121.5 27.1 -66.5 -39.3 13.0 19.2 11.9 109 105 A F H < 0 0 52 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.546 360.0 360.0-109.3 -8.0 13.5 17.5 15.3 110 106 A I < 0 0 107 -4,-2.2 -3,-0.1 -5,-0.2 -2,-0.1 0.857 360.0 360.0 -72.0 360.0 16.6 15.3 15.0