==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 12-MAR-12 4AML . COMPND 2 MOLECULE: AGGLUTININ ISOLECTIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR D.SCHWEFEL,C.MAIERHOFER,J.G.BECK,S.SEEBERGER,K.DIEDERICHS, . 341 2 32 32 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 20.5 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 . 8 2.3 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 8 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 23 8 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 . 2 6 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 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 X 0 0 77 0, 0.0 23,-0.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -26.9 -18.2 12.0 2.5 2 2 A R B +A 23 0A 59 21,-0.1 2,-0.3 172,-0.1 21,-0.2 -0.584 360.0 173.5 -85.8 147.7 -20.7 14.6 4.3 3 3 A a > + 0 0 0 19,-1.4 3,-1.1 -2,-0.2 8,-0.2 -0.865 39.0 12.4-137.0 170.3 -19.4 17.7 6.0 4 4 A G B > >S-B 10 0B 2 6,-3.2 5,-2.3 3,-0.3 3,-2.0 -0.244 123.1 -8.1 66.8-146.2 -20.7 20.8 7.6 5 5 A E T 3 5S+ 0 0 149 1,-0.3 3,-0.5 3,-0.2 -1,-0.2 0.752 139.3 51.2 -64.0 -29.4 -24.4 21.3 8.4 6 6 A Q T < 5S+ 0 0 78 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.350 115.9 42.3 -85.1 1.8 -25.3 18.0 6.6 7 7 A G T X 5S- 0 0 2 -3,-2.0 3,-2.2 3,-0.1 -3,-0.3 -0.191 123.0 -84.4-152.5 50.3 -22.6 16.0 8.4 8 8 A S T 3 5S- 0 0 88 -3,-0.5 -3,-0.2 1,-0.3 -4,-0.1 0.819 85.0 -63.0 53.9 38.8 -22.6 17.0 12.1 9 9 A N T 3 - 0 0 0 4,-0.5 3,-0.7 -2,-0.3 170,-0.1 -0.505 37.8-105.1 -83.7 153.1 -12.8 17.9 5.3 13 13 A P G > S+ 0 0 16 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.305 97.3 19.6 -70.2 156.4 -9.2 16.8 5.5 14 14 A N G 3 S- 0 0 68 1,-0.3 214,-0.0 24,-0.1 -2,-0.0 0.759 128.8 -66.9 61.4 32.6 -6.4 18.9 4.3 15 15 A N G < S+ 0 0 1 -3,-0.7 24,-2.0 1,-0.2 -1,-0.3 0.629 82.0 165.1 60.5 21.2 -8.3 22.1 4.3 16 16 A L < - 0 0 25 -3,-2.1 -4,-0.5 22,-0.2 2,-0.3 -0.326 41.5-107.4 -64.5 147.4 -10.7 21.0 1.6 17 17 A c E -D 25 0D 0 8,-2.4 8,-2.1 21,-0.2 2,-0.7 -0.627 18.3-138.7 -76.4 139.4 -13.8 23.2 1.3 18 18 A a E -DE 24 37D 0 19,-2.5 18,-3.4 -2,-0.3 19,-0.7 -0.838 31.0-135.9 -98.4 115.1 -17.2 21.9 2.5 19 19 A S > - 0 0 5 4,-3.5 3,-1.7 -2,-0.7 11,-0.2 -0.116 24.9 -96.4 -67.2 173.0 -19.6 23.1 -0.1 20 20 A Q T 3 S+ 0 0 95 9,-0.4 -1,-0.1 13,-0.4 14,-0.1 0.743 128.8 52.0 -58.0 -24.7 -23.1 24.7 0.4 21 21 A Y T 3 S- 0 0 161 2,-0.1 -1,-0.3 -16,-0.0 14,-0.1 0.461 122.6-106.3 -85.8 -12.2 -24.4 21.1 -0.2 22 22 A G S < S+ 0 0 0 -3,-1.7 -19,-1.4 1,-0.3 2,-0.3 0.841 76.2 123.0 83.9 45.5 -22.2 19.5 2.5 23 23 A Y B -A 2 0A 103 -21,-0.2 -4,-3.5 7,-0.1 2,-0.4 -0.933 57.9-113.8-130.5 153.8 -19.6 17.7 0.3 24 24 A b E +D 18 0D 30 -23,-0.8 2,-0.3 -2,-0.3 -6,-0.2 -0.677 55.1 101.0 -89.9 137.4 -15.8 18.1 0.3 25 25 A G E -D 17 0D 0 -8,-2.1 -8,-2.4 -2,-0.4 2,-0.3 -0.958 54.2 -96.6-178.3-160.3 -13.8 19.4 -2.6 26 26 A M B +F 327 0E 6 301,-1.9 301,-1.8 -2,-0.3 3,-0.2 -0.955 67.5 45.6-142.9 160.7 -11.8 22.3 -4.1 27 27 A G S >> S- 0 0 4 -2,-0.3 4,-3.2 299,-0.3 3,-2.0 -0.325 101.8 -41.7 91.6 175.6 -12.6 25.0 -6.5 28 28 A G H 3> S+ 0 0 17 297,-0.3 4,-1.4 1,-0.3 -1,-0.2 0.776 129.3 57.2 -49.1 -38.8 -15.5 27.3 -7.0 29 29 A D H 34 S+ 0 0 116 -3,-0.2 -9,-0.4 2,-0.1 -1,-0.3 0.743 122.5 26.3 -72.1 -12.4 -18.3 24.8 -6.4 30 30 A Y H <4 S+ 0 0 24 -3,-2.0 6,-0.2 -11,-0.2 -2,-0.2 0.792 132.3 30.7-111.3 -47.5 -16.8 24.1 -2.9 31 31 A c H < S+ 0 0 0 -4,-3.2 10,-3.3 -14,-0.1 11,-0.6 0.506 110.6 70.3 -95.5 -10.6 -14.9 27.1 -1.8 32 32 A G S >< S- 0 0 15 -4,-1.4 3,-2.3 -5,-0.5 10,-0.2 0.300 99.5 -0.4 -81.4-146.4 -17.0 29.8 -3.5 33 33 A K T 3 S+ 0 0 180 1,-0.3 -13,-0.4 8,-0.1 -1,-0.3 -0.097 134.6 13.0 -45.4 124.5 -20.5 31.0 -2.8 34 34 A G T 3 S+ 0 0 40 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.463 80.6 162.0 85.8 -3.3 -22.0 29.0 0.2 35 35 A d < - 0 0 6 -3,-2.3 -16,-0.2 1,-0.1 -1,-0.2 -0.282 19.4-168.9 -49.9 132.3 -18.7 27.4 1.5 36 36 A Q - 0 0 45 -18,-3.4 2,-0.3 1,-0.3 -1,-0.1 0.762 58.3 -15.6 -98.6 -36.5 -19.2 26.2 5.0 37 37 A N B S+E 18 0D 8 -19,-0.7 -19,-2.5 18,-0.0 -1,-0.3 -0.959 95.7 52.0-161.2 171.8 -15.7 25.3 6.2 38 38 A G S S- 0 0 4 -2,-0.3 2,-2.1 -21,-0.2 -21,-0.2 -0.594 112.1 -11.8 87.6-151.6 -12.1 24.6 5.0 39 39 A A S S- 0 0 6 -24,-2.0 -22,-0.2 -2,-0.2 -1,-0.1 -0.309 80.0-179.0 -87.3 57.6 -10.3 27.0 2.6 40 40 A d - 0 0 15 -2,-2.1 -8,-0.2 1,-0.1 245,-0.1 -0.240 32.3-132.7 -58.3 141.0 -13.3 29.1 1.8 41 41 A W S S+ 0 0 58 -10,-3.3 2,-0.8 1,-0.2 -9,-0.1 0.862 103.5 51.2 -66.1 -36.6 -12.7 32.0 -0.7 42 42 A T S S- 0 0 120 -11,-0.6 -1,-0.2 -10,-0.2 -2,-0.1 -0.912 98.6-133.2 -96.3 107.2 -14.6 34.3 1.6 43 43 A S - 0 0 20 -2,-0.8 2,-0.1 1,-0.1 25,-0.1 -0.277 21.4-109.9 -60.4 140.8 -13.0 33.8 5.0 44 44 A K - 0 0 86 23,-0.1 23,-2.3 1,-0.1 2,-0.2 -0.456 29.8-116.0 -63.4 152.7 -15.4 33.4 7.9 45 45 A R B +G 66 0F 106 21,-0.2 2,-0.3 -2,-0.1 21,-0.2 -0.526 42.0 165.4 -88.3 154.4 -15.7 36.2 10.6 46 46 A e > + 0 0 0 19,-1.3 3,-0.8 -2,-0.2 8,-0.2 -0.953 29.5 22.7-160.2 168.9 -14.6 35.5 14.2 47 47 A G B > >S-H 53 0G 12 6,-2.8 5,-2.6 -2,-0.3 3,-2.1 -0.250 115.4 -10.2 69.2-146.8 -13.8 37.0 17.6 48 48 A S G > 5S+ 0 0 94 1,-0.3 3,-0.8 3,-0.2 -1,-0.2 0.798 134.8 57.3 -62.3 -29.9 -14.9 40.4 18.9 49 49 A Q G < 5S+ 0 0 78 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.572 111.9 40.1 -74.9 -10.6 -16.2 41.2 15.4 50 50 A A G X 5S- 0 0 33 -3,-2.1 3,-1.8 3,-0.1 -1,-0.3 -0.260 123.5 -89.5-133.8 43.6 -18.5 38.3 15.2 51 51 A G T < 5S- 0 0 87 -3,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.789 86.8 -56.2 52.1 31.1 -20.0 38.0 18.7 52 52 A G T 3 S+ 0 0 45 1,-0.2 3,-1.9 2,-0.1 -1,-0.1 -0.419 84.7 39.7 -93.1 174.4 -13.3 26.2 12.2 57 57 A N T 3 S- 0 0 4 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.727 126.0 -75.8 58.8 29.0 -10.5 23.9 11.0 58 58 A N T 3 S+ 0 0 14 -3,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.853 86.9 161.6 51.5 32.9 -8.2 25.1 13.9 59 59 A Q < - 0 0 12 -3,-1.9 2,-0.3 22,-0.1 -4,-0.3 -0.462 41.4-107.8 -80.3 162.0 -7.7 28.4 12.0 60 60 A g E -I 68 0H 0 8,-2.6 8,-2.2 21,-0.2 2,-0.7 -0.707 21.0-134.6 -87.8 136.4 -6.4 31.6 13.6 61 61 A e E -IJ 67 80H 3 19,-2.3 18,-3.3 -2,-0.3 19,-0.6 -0.859 28.0-138.2 -89.4 117.8 -8.7 34.5 14.2 62 62 A S > - 0 0 4 4,-2.9 3,-1.8 -2,-0.7 11,-0.2 -0.069 25.6-100.6 -66.2 171.4 -7.0 37.6 13.1 63 63 A Q T 3 S+ 0 0 90 9,-0.5 -1,-0.1 13,-0.5 14,-0.1 0.731 126.9 53.7 -57.6 -29.6 -7.0 41.0 14.9 64 64 A Y T 3 S- 0 0 145 2,-0.1 -1,-0.3 -16,-0.0 -18,-0.1 0.422 122.2-107.2 -91.3 0.8 -9.6 42.0 12.3 65 65 A G S < S+ 0 0 0 -3,-1.8 -19,-1.3 1,-0.3 2,-0.3 0.917 77.1 125.0 79.1 38.3 -11.8 39.1 13.0 66 66 A Y B -G 45 0F 100 -21,-0.2 -4,-2.9 7,-0.1 2,-0.4 -0.982 57.0-122.1-121.7 145.9 -11.2 36.9 9.9 67 67 A f E +I 61 0H 4 -23,-2.3 2,-0.3 -2,-0.3 -6,-0.2 -0.726 52.7 106.3 -95.0 142.7 -10.1 33.3 10.0 68 68 A G E -I 60 0H 0 -8,-2.2 -8,-2.6 -2,-0.4 2,-0.3 -0.929 55.3 -94.6-176.1-166.5 -6.9 32.1 8.3 69 69 A F B +K 284 0I 6 215,-1.6 215,-1.6 -2,-0.3 3,-0.2 -0.951 68.0 58.1-136.9 152.4 -3.3 30.9 8.6 70 70 A G S >> S- 0 0 11 -2,-0.3 4,-2.6 213,-0.2 3,-1.6 -0.353 98.2 -56.4 112.0 177.6 0.0 32.8 8.4 71 71 A A H 3> S+ 0 0 32 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.796 129.6 58.5 -63.7 -36.2 1.5 35.6 10.3 72 72 A E H 34 S+ 0 0 102 -3,-0.2 -9,-0.5 1,-0.2 -1,-0.3 0.737 119.4 30.9 -64.2 -26.9 -1.3 38.1 9.6 73 73 A Y H <4 S+ 0 0 8 -3,-1.6 6,-0.2 -11,-0.2 -2,-0.2 0.835 130.2 30.8 -95.1 -46.6 -3.8 35.7 11.2 74 74 A g H < S+ 0 0 5 -4,-2.6 10,-3.2 -14,-0.1 11,-0.5 0.605 111.6 66.5 -94.9 -16.9 -1.8 33.9 13.9 75 75 A G S >< S+ 0 0 18 -4,-2.0 3,-2.2 -5,-0.5 10,-0.2 0.409 97.2 5.5 -84.2-138.6 0.6 36.6 14.9 76 76 A A T 3 S+ 0 0 91 1,-0.3 -13,-0.5 -5,-0.1 -1,-0.2 -0.124 132.1 10.0 -53.6 133.8 0.0 39.9 16.5 77 77 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.3 -15,-0.1 -2,-0.1 0.434 83.7 162.4 80.0 -0.6 -3.5 40.6 17.7 78 78 A h < - 0 0 25 -3,-2.2 -1,-0.3 1,-0.1 -16,-0.2 -0.323 21.0-167.8 -54.4 133.2 -4.6 37.0 17.0 79 79 A Q - 0 0 72 -18,-3.3 2,-0.3 1,-0.2 -17,-0.1 0.364 56.4 -11.2-106.7 -5.9 -7.8 36.4 18.9 80 80 A G B S+J 61 0H 20 -19,-0.6 -19,-2.3 -34,-0.0 -1,-0.2 -0.960 91.6 52.4 172.1 164.4 -8.2 32.6 18.8 81 81 A G S S- 0 0 19 -2,-0.3 2,-2.6 -21,-0.3 -21,-0.2 -0.411 111.4 -19.2 80.4-160.5 -7.1 29.3 17.3 82 82 A P S S- 0 0 14 0, 0.0 -22,-0.1 0, 0.0 -1,-0.1 -0.367 81.2-175.9 -84.8 67.1 -3.4 28.3 17.3 83 83 A h - 0 0 16 -2,-2.6 -8,-0.2 1,-0.1 159,-0.2 -0.197 33.8-122.7 -55.3 150.4 -2.1 31.8 17.9 84 84 A R S S+ 0 0 58 -10,-3.2 2,-0.2 -13,-0.1 -9,-0.1 0.848 92.9 80.0 -67.9 -33.1 1.7 32.3 17.8 85 85 A A S S- 0 0 70 -11,-0.5 -2,-0.1 -10,-0.2 157,-0.1 -0.487 98.6 -98.6 -74.2 147.2 1.6 33.8 21.3 86 86 A D - 0 0 81 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.302 36.6-134.3 -62.2 143.8 1.4 31.3 24.2 87 87 A I - 0 0 44 23,-0.3 23,-2.2 -4,-0.1 2,-0.2 -0.923 14.9-146.2-111.5 121.8 -2.1 31.0 25.4 88 88 A K B +L 109 0J 137 -2,-0.6 2,-0.3 21,-0.2 21,-0.2 -0.530 29.0 149.3 -89.2 148.4 -2.7 31.1 29.1 89 89 A i > + 0 0 0 19,-1.6 3,-0.8 -2,-0.2 8,-0.2 -0.956 31.1 33.7-156.7 171.6 -5.3 29.1 31.0 90 90 A G B > >S-M 96 0K 4 6,-2.9 5,-2.5 3,-0.3 3,-2.2 -0.260 111.9 -16.4 78.9-153.8 -6.3 27.4 34.2 91 91 A S G > 5S+ 0 0 94 1,-0.3 3,-0.6 3,-0.2 -1,-0.2 0.758 134.4 59.5 -68.2 -22.4 -5.3 28.4 37.7 92 92 A Q G < 5S+ 0 0 95 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.636 114.3 37.7 -71.6 -13.2 -2.6 30.6 36.3 93 93 A A G X 5S- 0 0 32 -3,-2.2 3,-1.6 3,-0.1 -3,-0.3 -0.305 126.4 -81.1-136.4 49.9 -5.3 32.6 34.4 94 94 A G T < 5S- 0 0 86 -3,-0.6 -3,-0.2 1,-0.3 -4,-0.1 0.726 86.5 -63.0 61.1 24.2 -8.5 32.9 36.6 95 95 A G T 3 - 0 0 6 4,-0.4 3,-0.6 -2,-0.2 6,-0.1 -0.671 37.1-115.1 -80.7 138.6 -8.7 26.6 26.4 99 99 A P G > S+ 0 0 57 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.374 92.0 20.2 -70.8 157.1 -10.7 27.0 23.2 100 100 A N G 3 S- 0 0 20 1,-0.3 -2,-0.0 24,-0.0 0, 0.0 0.799 128.7 -67.3 59.4 34.2 -11.5 24.0 21.0 101 101 A N G < S+ 0 0 20 -3,-0.6 24,-1.9 1,-0.2 -1,-0.3 0.589 84.2 161.9 65.9 12.3 -11.0 21.4 23.7 102 102 A L < - 0 0 17 -3,-2.0 -4,-0.4 22,-0.2 2,-0.3 -0.292 43.8-105.3 -60.2 154.1 -7.3 22.1 23.9 103 103 A k E -N 111 0L 0 8,-2.1 8,-2.4 21,-0.2 2,-0.8 -0.616 19.4-139.7 -78.4 136.5 -5.7 20.8 27.1 104 104 A i E -NO 110 123L 0 19,-2.0 18,-3.1 -2,-0.3 19,-0.5 -0.855 29.9-137.4 -90.9 106.5 -4.6 23.3 29.8 105 105 A S > - 0 0 4 4,-3.0 3,-1.8 -2,-0.8 11,-0.2 -0.029 25.2 -99.1 -58.9 170.9 -1.2 22.0 31.0 106 106 A Q T 3 S+ 0 0 88 9,-0.5 -1,-0.1 13,-0.3 14,-0.1 0.839 127.4 53.5 -59.2 -29.5 -0.1 21.9 34.6 107 107 A W T 3 S- 0 0 154 2,-0.1 -1,-0.3 -16,-0.0 -2,-0.1 0.433 122.9-105.2 -87.4 1.3 1.8 25.1 33.8 108 108 A G S < S+ 0 0 1 -3,-1.8 -19,-1.6 1,-0.3 2,-0.3 0.877 76.1 128.1 75.8 44.4 -1.4 26.9 32.5 109 109 A F B -L 88 0J 68 -21,-0.2 -4,-3.0 7,-0.1 2,-0.4 -0.965 55.2-123.7-125.6 144.2 -0.7 26.9 28.7 110 110 A j E +N 104 0L 9 -23,-2.2 -23,-0.3 -2,-0.3 2,-0.3 -0.703 54.3 109.7 -87.9 133.8 -3.1 25.6 26.1 111 111 A G E -N 103 0L 0 -8,-2.4 -8,-2.1 -2,-0.4 2,-0.3 -0.954 56.7-107.7-171.6-171.8 -2.0 22.9 23.6 112 112 A L B +P 241 0M 4 129,-1.3 129,-1.4 -2,-0.3 2,-0.2 -0.967 67.6 76.2-131.9 157.5 -2.4 19.2 22.7 113 113 A G S >> S- 0 0 5 -2,-0.3 4,-2.2 127,-0.2 3,-2.1 -0.407 95.2 -71.9 113.2 151.4 0.1 16.5 23.3 114 114 A S H 3> S+ 0 0 84 1,-0.3 4,-1.9 2,-0.2 7,-0.1 0.769 127.5 63.1 -58.3 -31.5 1.1 14.6 26.4 115 115 A E H 34 S+ 0 0 75 1,-0.2 -9,-0.5 2,-0.2 -1,-0.3 0.821 119.0 28.6 -55.3 -31.4 2.9 17.7 27.9 116 116 A F H <4 S+ 0 0 6 -3,-2.1 6,-0.2 -11,-0.2 -2,-0.2 0.838 130.5 33.9 -98.5 -35.5 -0.5 19.4 27.9 117 117 A k H < S+ 0 0 10 -4,-2.2 10,-2.9 -14,-0.1 11,-0.7 0.510 106.6 76.8-106.6 -10.5 -3.1 16.5 28.2 118 118 A G S >< S- 0 0 9 -4,-1.9 3,-2.4 -5,-0.4 10,-0.2 0.290 97.3 -10.0 -84.8-152.6 -1.1 14.2 30.5 119 119 A G T 3 S+ 0 0 61 1,-0.3 -13,-0.3 8,-0.1 -1,-0.2 -0.162 134.3 18.4 -47.9 127.2 -0.3 14.3 34.3 120 120 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.292 80.3 154.7 94.8 -8.1 -1.5 17.7 35.7 121 121 A l < - 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