==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-APR-11 3RLH . COMPND 2 MOLECULE: SPHINGOMYELIN PHOSPHODIESTERASE D LISICTOX-ALPHAI . SOURCE 2 ORGANISM_SCIENTIFIC: LOXOSCELES INTERMEDIA; . AUTHOR P.O.GIUSEPPE,A.ULLAH,S.S.VEIGA,M.T.MURAKAMI,R.K.ARNI . 278 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 0.4 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 . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 1 0 0 0 1 1 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 1 3 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 2 A G 0 0 124 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-177.1 3.6 5.1 38.3 2 3 A N - 0 0 139 276,-0.2 2,-0.2 1,-0.1 260,-0.0 -0.287 360.0 -97.8 -60.3 152.0 6.7 5.7 36.1 3 4 A R - 0 0 130 261,-0.1 261,-0.3 1,-0.1 -1,-0.1 -0.548 35.3-118.0 -73.4 137.9 6.0 7.3 32.6 4 5 A R E -a 264 0A 32 259,-2.8 261,-2.1 -2,-0.2 2,-0.2 -0.659 30.3-123.4 -73.5 131.7 5.8 4.7 29.7 5 6 A P E -a 265 0A 6 0, 0.0 2,-0.4 0, 0.0 261,-0.2 -0.555 29.6-155.1 -76.9 142.7 8.6 5.5 27.3 6 7 A I E -a 266 0A 0 259,-2.2 261,-2.5 -2,-0.2 2,-0.6 -0.946 12.2-145.5-126.2 133.0 7.3 6.2 23.8 7 8 A W E -b 242 0B 2 234,-2.6 236,-3.0 -2,-0.4 2,-0.8 -0.894 9.3-158.5 -94.5 121.9 8.9 5.8 20.4 8 9 A I E -b 243 0B 0 -2,-0.6 21,-1.3 234,-0.2 20,-1.1 -0.918 18.3-158.4-101.4 109.9 7.7 8.5 17.9 9 10 A M E -bc 244 29B 0 234,-3.3 236,-2.7 -2,-0.8 21,-0.3 -0.827 10.3-138.5-107.3 110.5 8.6 6.8 14.7 10 11 A G E -bc 245 30B 0 19,-3.0 21,-2.7 -2,-0.7 3,-0.4 -0.469 27.9-129.1 -65.5 133.2 8.9 8.9 11.6 11 12 A H S S+ 0 0 10 234,-2.4 3,-0.1 1,-0.2 21,-0.1 -0.704 72.6 0.1 -92.1 138.9 7.3 7.1 8.7 12 13 A M + 0 0 3 -2,-0.4 2,-1.0 1,-0.2 -1,-0.2 0.932 67.9 171.6 54.3 60.4 8.9 6.5 5.3 13 14 A V + 0 0 0 18,-3.2 -1,-0.2 -3,-0.4 6,-0.0 -0.792 18.3 143.2 -99.5 92.2 12.2 8.1 5.9 14 15 A N + 0 0 2 -2,-1.0 2,-0.4 -3,-0.1 47,-0.2 0.484 45.8 69.7-119.9 -9.6 13.9 6.9 2.7 15 16 A A S >> S- 0 0 17 -3,-0.2 3,-1.4 45,-0.1 4,-0.6 -0.905 81.3-124.9-109.9 144.6 16.2 9.8 1.7 16 17 A I H >> S+ 0 0 63 -2,-0.4 3,-1.5 1,-0.3 4,-0.6 0.883 110.7 57.0 -52.3 -43.2 19.3 10.7 3.8 17 18 A G H 3> S+ 0 0 60 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.705 97.3 64.3 -61.1 -26.7 18.0 14.4 4.1 18 19 A Q H <> S+ 0 0 11 -3,-1.4 4,-2.6 2,-0.2 5,-0.3 0.700 84.7 72.6 -72.6 -20.4 14.8 13.2 5.7 19 20 A I H S+ 0 0 2 -4,-2.6 5,-2.3 2,-0.2 3,-0.4 0.903 118.2 48.8 -72.6 -43.3 11.9 13.9 10.9 23 24 A V H ><5S+ 0 0 8 -4,-2.5 3,-1.8 -5,-0.3 -2,-0.2 0.934 107.8 54.2 -65.7 -42.6 14.2 13.9 14.0 24 25 A N H 3<5S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.760 104.7 56.7 -62.7 -21.4 14.2 17.8 14.1 25 26 A L T 3<5S- 0 0 67 -4,-0.9 -1,-0.3 -3,-0.4 227,-0.2 0.445 135.2 -84.6 -84.8 -5.4 10.3 17.5 14.2 26 27 A G T < 5S+ 0 0 26 -3,-1.8 -3,-0.2 -4,-0.3 2,-0.2 0.393 79.1 143.4 120.6 -1.8 10.5 15.3 17.3 27 28 A A < - 0 0 1 -5,-2.3 -1,-0.3 1,-0.1 -18,-0.2 -0.498 25.7-177.1 -70.8 135.4 11.0 11.7 16.1 28 29 A N S S+ 0 0 2 -20,-1.1 58,-3.0 -2,-0.2 59,-1.0 0.241 77.5 35.1-104.2 9.4 13.3 9.5 18.2 29 30 A S E -cd 9 87B 0 -21,-1.3 -19,-3.0 56,-0.2 2,-0.3 -0.984 68.4-156.7-153.1 154.9 12.9 6.7 15.7 30 31 A I E -cd 10 88B 0 57,-1.7 59,-2.6 -2,-0.3 2,-0.4 -0.981 10.0-143.6-137.2 153.3 12.4 6.3 11.9 31 32 A E E - d 0 89B 6 -21,-2.7 -18,-3.2 -2,-0.3 2,-0.4 -0.957 21.0-174.5-112.9 137.2 11.0 3.7 9.6 32 33 A T E - d 0 90B 0 57,-2.6 59,-3.1 -2,-0.4 2,-0.2 -0.993 20.0-129.7-136.3 133.8 12.7 3.1 6.3 33 34 A D E - d 0 91B 0 -2,-0.4 2,-0.5 57,-0.2 59,-0.2 -0.646 17.2-158.6 -88.7 145.5 11.6 0.8 3.4 34 35 A V E - d 0 92B 0 57,-2.0 59,-2.6 -2,-0.2 11,-0.2 -0.972 3.6-164.6-127.8 117.9 14.1 -1.6 1.9 35 36 A S - 0 0 20 9,-3.3 8,-2.9 -2,-0.5 9,-0.4 -0.582 13.2-143.5 -94.9 160.5 13.5 -3.0 -1.6 36 37 A F B -J 42 0C 9 57,-0.4 2,-0.0 6,-0.3 69,-0.0 -0.925 6.8-128.4-125.5 147.3 15.5 -6.0 -2.7 37 38 A D > - 0 0 34 4,-3.2 3,-2.0 -2,-0.4 6,-0.1 -0.202 46.0 -83.6 -78.6-179.3 17.0 -6.9 -6.1 38 39 A D T 3 S+ 0 0 128 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.634 129.7 53.6 -60.5 -18.1 16.3 -10.2 -8.0 39 39AA N T 3 S- 0 0 106 2,-0.2 -1,-0.3 58,-0.0 58,-0.0 0.173 120.9-103.8-100.5 12.1 19.2 -11.9 -5.9 40 40 A A S < S+ 0 0 0 -3,-2.0 68,-0.2 1,-0.3 69,-0.2 0.634 76.0 140.8 73.0 19.2 17.7 -10.9 -2.6 41 41 A N - 0 0 54 67,-0.1 -4,-3.2 1,-0.1 -1,-0.3 -0.741 62.6-109.1 -89.8 134.0 20.3 -8.1 -2.1 42 42 A P B +J 36 0C 5 0, 0.0 -6,-0.3 0, 0.0 22,-0.2 -0.386 47.1 169.5 -57.1 135.8 18.9 -4.9 -0.5 43 43 A E + 0 0 73 -8,-2.9 20,-2.4 1,-0.4 2,-0.3 0.730 46.9 5.0-118.5 -60.8 18.9 -2.4 -3.3 44 44 A Y B -K 62 0D 75 -9,-0.4 -9,-3.3 18,-0.3 2,-1.1 -0.932 53.3-126.1-127.5 157.9 17.0 0.9 -2.6 45 45 A T + 0 0 0 16,-2.4 2,-0.5 -2,-0.3 -11,-0.2 -0.669 66.0 141.0 -88.3 72.6 15.3 2.6 0.2 46 46 A Y + 0 0 77 -2,-1.1 14,-0.1 1,-0.2 -2,-0.1 -0.958 34.6 175.3-130.4 125.6 12.3 3.0 -2.0 47 47 A H - 0 0 49 10,-0.5 -1,-0.2 -2,-0.5 11,-0.2 0.872 28.4-172.5 -87.5 -54.8 8.6 2.7 -1.2 48 48 A G - 0 0 4 9,-2.6 10,-0.1 11,-0.2 11,-0.0 -0.030 32.5 -10.4 78.8 168.6 6.9 3.7 -4.5 49 49 A I S S+ 0 0 123 1,-0.1 2,-0.1 2,-0.1 3,-0.0 -0.575 109.0 48.4 -78.1 141.7 3.3 4.3 -5.3 50 50 A P S S+ 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.571 80.4 144.5 -81.7 150.7 0.8 3.7 -3.7 51 51 A a - 0 0 21 4,-0.2 3,-0.1 1,-0.1 4,-0.1 -0.819 52.5 -49.0-139.2 178.1 1.9 5.3 -0.4 52 52 A D > - 0 0 10 -2,-0.3 3,-1.6 1,-0.1 -1,-0.1 -0.131 67.6 -92.5 -51.2 142.9 0.5 7.3 2.5 53 53 A b T 3 S+ 0 0 64 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.227 110.2 22.0 -52.3 136.3 -1.8 10.3 1.8 54 54 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.497 102.9 112.3 82.8 4.5 0.1 13.6 1.7 55 55 A R S < S- 0 0 40 -3,-1.6 2,-0.6 -4,-0.1 -1,-0.2 -0.898 70.2-125.5-118.6 143.8 3.5 12.0 0.9 56 56 A N - 0 0 93 -2,-0.4 3,-0.4 1,-0.1 -4,-0.1 -0.755 26.8-164.8 -75.0 122.1 5.9 11.9 -1.9 57 57 A a S S+ 0 0 17 -2,-0.6 -9,-2.6 1,-0.2 -10,-0.5 0.389 71.2 63.4 -89.9 -4.9 6.4 8.1 -2.4 58 58 A K + 0 0 113 -11,-0.2 2,-0.3 -12,-0.1 -1,-0.2 0.234 59.9 120.5-121.4 14.3 9.5 8.1 -4.6 59 59 A K + 0 0 91 -3,-0.4 -12,-0.5 -44,-0.1 2,-0.3 -0.607 42.9 149.7 -70.7 135.5 12.3 9.6 -2.5 60 60 A Y - 0 0 116 -2,-0.3 2,-0.3 -14,-0.1 -14,-0.1 -0.996 34.1-156.9-162.7 165.4 15.1 7.0 -2.2 61 61 A E - 0 0 47 -2,-0.3 -16,-2.4 -47,-0.2 2,-0.2 -0.923 46.5 -85.6-132.8 161.4 18.8 6.1 -1.9 62 62 A N B >> -K 44 0D 87 -2,-0.3 4,-2.2 -18,-0.2 3,-0.5 -0.570 52.7-117.4 -54.4 136.0 21.0 3.1 -2.7 63 63 A F H 3> S+ 0 0 2 -20,-2.4 4,-2.4 1,-0.3 5,-0.2 0.906 112.5 50.9 -56.8 -44.1 20.4 1.1 0.5 64 64 A N H 3> S+ 0 0 43 -21,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.892 107.3 52.9 -64.6 -30.6 24.1 1.2 1.5 65 65 A D H <> S+ 0 0 57 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.939 108.4 50.1 -65.3 -44.9 24.2 5.0 1.0 66 66 A F H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.937 108.6 54.1 -57.9 -42.2 21.2 5.4 3.3 67 67 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.917 106.9 49.8 -59.2 -40.0 23.0 3.1 5.9 68 68 A K H X S+ 0 0 80 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.896 112.9 48.2 -68.9 -33.3 26.1 5.4 5.8 69 69 A G H X S+ 0 0 13 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.895 111.3 48.5 -70.2 -46.7 23.9 8.3 6.4 70 70 A L H X S+ 0 0 0 -4,-3.2 4,-0.8 2,-0.2 -2,-0.2 0.881 109.4 54.9 -54.3 -43.7 22.0 6.6 9.2 71 71 A R H >< S+ 0 0 49 -4,-2.9 3,-1.0 -5,-0.2 4,-0.5 0.940 106.9 49.1 -56.2 -49.2 25.5 5.8 10.6 72 72 A S H >< S+ 0 0 34 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.911 110.8 51.7 -57.4 -41.4 26.5 9.4 10.6 73 73 A A H 3< S+ 0 0 4 -4,-1.9 9,-3.1 1,-0.2 12,-0.3 0.641 118.4 36.5 -69.0 -15.5 23.2 10.3 12.4 74 74 A T T << S+ 0 0 0 -3,-1.0 52,-2.2 -4,-0.8 -1,-0.2 0.170 91.0 98.0-125.6 14.3 23.7 7.8 15.1 75 75 A T S X S- 0 0 7 -3,-0.8 3,-2.2 -4,-0.5 6,-0.2 -0.915 75.3-122.8-113.2 114.1 27.4 7.9 15.8 76 76 A P T 3 S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.229 97.1 25.0 -53.4 130.8 28.5 10.0 18.8 77 77 A G T 3 S+ 0 0 80 1,-0.4 2,-0.1 4,-0.0 -5,-0.0 0.187 88.4 126.0 97.1 -16.2 31.0 12.7 17.7 78 78 A N S X S- 0 0 58 -3,-2.2 3,-1.9 -6,-0.2 -1,-0.4 -0.444 71.3-121.1 -70.4 146.3 29.9 12.8 14.1 79 79 A S T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.1 -6,-0.1 0.794 114.7 43.4 -64.7 -19.1 29.0 16.3 12.9 80 80 A K T 3 S+ 0 0 99 -8,-0.2 -1,-0.3 -5,-0.1 2,-0.1 0.263 82.2 143.4-107.5 9.6 25.5 15.0 12.0 81 81 A Y < - 0 0 54 -3,-1.9 2,-0.6 -6,-0.2 -7,-0.2 -0.328 32.9-163.9 -52.9 129.2 24.9 13.0 15.2 82 82 A Q > - 0 0 35 -9,-3.1 3,-1.6 1,-0.1 -1,-0.1 -0.937 3.2-166.8-115.8 97.9 21.3 13.1 16.6 83 83 A E T 3 S+ 0 0 138 -2,-0.6 186,-0.2 1,-0.2 -1,-0.1 0.800 86.4 60.5 -53.2 -28.9 21.5 11.8 20.2 84 84 A K T 3 S+ 0 0 156 184,-0.1 2,-0.9 -3,-0.1 -1,-0.2 0.689 79.8 91.3 -75.7 -19.4 17.7 11.5 20.1 85 85 A L < + 0 0 0 -3,-1.6 -56,-0.2 -12,-0.3 -3,-0.1 -0.684 44.4 147.5 -82.9 103.9 17.5 9.0 17.2 86 86 A V + 0 0 3 -58,-3.0 42,-2.6 -2,-0.9 2,-0.3 0.481 52.0 43.0-120.3 -6.2 17.6 5.6 19.0 87 87 A L E -de 29 128B 0 -59,-1.0 -57,-1.7 40,-0.2 2,-0.4 -0.997 52.0-171.1-145.2 136.6 15.6 3.1 17.0 88 88 A V E -de 30 129B 0 40,-2.3 42,-2.8 -2,-0.3 2,-0.6 -0.999 8.5-158.7-128.2 125.5 15.3 2.3 13.3 89 89 A V E -de 31 130B 0 -59,-2.6 -57,-2.6 -2,-0.4 2,-0.6 -0.944 8.6-153.2-102.5 124.4 12.7 -0.0 11.9 90 90 A F E -de 32 131B 0 40,-3.0 42,-2.6 -2,-0.6 2,-1.3 -0.874 5.9-150.7 -97.3 116.7 13.6 -1.5 8.4 91 91 A D E -de 33 132B 20 -59,-3.1 -57,-2.0 -2,-0.6 2,-0.6 -0.740 15.3-150.9 -90.1 92.5 10.4 -2.3 6.5 92 92 A L E -d 34 0B 0 40,-1.9 2,-2.2 -2,-1.3 -57,-0.1 -0.442 3.2-153.1 -76.0 109.3 11.7 -5.2 4.4 93 93 A K > + 0 0 66 -59,-2.6 3,-0.9 -2,-0.6 -57,-0.4 -0.488 32.5 158.2 -83.9 76.9 9.7 -5.2 1.3 94 94 A T G > + 0 0 0 -2,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.430 43.4 100.7 -86.8 3.2 10.2 -9.0 0.7 95 95 A G G 3 S+ 0 0 74 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.742 77.3 57.2 -54.1 -26.3 7.1 -9.1 -1.5 96 96 A S G < S+ 0 0 83 -3,-0.9 -1,-0.3 2,-0.1 2,-0.3 0.524 97.0 84.2 -87.1 -5.1 9.4 -9.1 -4.6 97 97 A L S < S- 0 0 12 -3,-2.0 2,-0.2 -4,-0.1 -59,-0.1 -0.679 82.8-114.4 -99.2 147.6 11.3 -12.2 -3.4 98 98 A Y > - 0 0 176 -2,-0.3 3,-2.3 1,-0.1 4,-0.2 -0.545 36.4-114.0 -65.2 145.9 10.5 -15.9 -3.8 99 99 A D G > S+ 0 0 91 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.841 116.7 61.0 -50.4 -38.6 9.8 -17.4 -0.3 100 100 A N G 3 S+ 0 0 136 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.401 95.5 61.4 -75.8 5.7 12.9 -19.5 -0.7 101 101 A Q G <> S+ 0 0 29 -3,-2.3 4,-2.7 2,-0.1 -1,-0.3 0.308 75.4 95.6-102.8 6.2 15.1 -16.4 -0.9 102 102 A A H <> S+ 0 0 1 -3,-1.6 4,-2.0 2,-0.2 5,-0.2 0.958 86.1 46.4 -64.8 -45.0 14.0 -15.1 2.7 103 103 A N H > S+ 0 0 41 -4,-0.3 4,-2.0 1,-0.2 3,-0.3 0.954 112.4 49.0 -59.4 -51.3 17.1 -16.6 4.3 104 104 A D H > S+ 0 0 70 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.872 108.2 56.4 -52.6 -46.4 19.5 -15.3 1.6 105 105 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.900 105.2 51.2 -56.1 -42.5 17.8 -11.8 2.1 106 106 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 -3,-0.3 -1,-0.2 0.909 110.9 48.7 -59.7 -41.8 18.7 -11.9 5.8 107 107 A K H X S+ 0 0 73 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.926 111.5 47.0 -69.7 -43.6 22.2 -12.7 5.1 108 108 A K H X S+ 0 0 82 -4,-2.5 4,-2.0 -68,-0.2 -1,-0.2 0.890 112.3 52.0 -62.2 -41.3 22.7 -10.0 2.5 109 109 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.931 108.6 50.5 -58.1 -47.2 21.0 -7.5 4.9 110 110 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.900 109.3 51.6 -58.9 -39.8 23.4 -8.5 7.7 111 111 A K H X S+ 0 0 101 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.914 112.9 44.7 -65.3 -41.0 26.4 -8.0 5.4 112 112 A N H X>S+ 0 0 17 -4,-2.0 4,-3.0 2,-0.2 5,-0.6 0.926 114.7 46.9 -68.9 -45.8 25.3 -4.5 4.4 113 113 A L H X>S+ 0 0 0 -4,-2.9 5,-2.9 1,-0.2 4,-1.9 0.911 114.4 48.9 -61.7 -42.3 24.4 -3.5 8.0 114 114 A L H <5S+ 0 0 5 -4,-2.7 6,-3.1 -5,-0.2 7,-0.3 0.935 118.2 39.5 -60.7 -50.9 27.7 -4.8 9.2 115 115 A Q H <5S+ 0 0 93 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.918 131.7 19.7 -65.2 -42.8 29.7 -3.1 6.6 116 116 A H H <5S+ 0 0 38 -4,-3.0 -45,-0.2 -5,-0.2 -3,-0.2 0.677 131.7 32.5-112.7 -19.7 28.0 0.3 6.3 117 117 A Y T < - 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