==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 23-OCT-07 2JWP . COMPND 2 MOLECULE: MALECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR T.SCHALLUS,C.MUHLE-GOLL . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 79.9 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 . 59 33.9 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 . 1 0.6 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 . 52 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 5.7 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 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 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 . 0 1 2 3 1 2 0 0 1 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 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 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 G >> 0 0 89 0, 0.0 3,-0.8 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 41.9 -11.2 15.2 5.0 2 6 A L H 3> + 0 0 50 19,-0.3 4,-1.6 1,-0.2 3,-0.3 0.807 360.0 66.0 -71.2 -29.4 -9.4 11.9 4.0 3 7 A A H 34 S+ 0 0 51 18,-1.1 -1,-0.2 1,-0.2 21,-0.1 0.718 98.7 54.3 -63.2 -23.0 -9.6 10.9 7.7 4 8 A D H <4 S+ 0 0 129 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.847 111.3 39.6 -83.0 -35.3 -13.4 10.7 7.3 5 9 A K H < S+ 0 0 89 -4,-0.8 165,-2.1 -3,-0.3 -2,-0.2 0.664 86.6 111.0 -94.3 -19.3 -13.6 8.4 4.4 6 10 A V E < +A 169 0A 28 -4,-1.6 163,-0.2 163,-0.3 3,-0.1 -0.308 36.1 175.7 -56.0 134.8 -10.8 6.0 5.3 7 11 A I E - 0 0 56 161,-1.7 2,-0.3 1,-0.4 162,-0.2 0.611 66.8 -3.4-110.9 -22.6 -12.1 2.6 6.3 8 12 A W E +A 168 0A 26 160,-1.7 160,-2.1 63,-0.1 -1,-0.4 -0.963 59.0 176.8-170.5 146.1 -8.8 0.8 6.8 9 13 A A E +A 167 0A 2 -2,-0.3 17,-3.5 158,-0.2 2,-0.3 -0.938 1.1 178.7-163.0 138.3 -5.1 1.4 6.5 10 14 A V E -A 166 0A 0 156,-2.7 156,-0.9 15,-0.3 2,-0.8 -0.952 14.0-165.0-146.8 121.8 -1.8 -0.5 7.1 11 15 A N E > -A 165 0A 0 -2,-0.3 3,-1.1 154,-0.3 2,-0.8 -0.876 21.8-147.1-102.6 99.6 1.9 0.4 6.7 12 16 A A E 3 S+A 164 0A 2 152,-2.5 152,-1.4 -2,-0.8 49,-0.6 -0.555 81.4 46.3 -65.1 105.4 3.7 -2.9 7.0 13 17 A G T 3 S+ 0 0 0 -2,-0.8 25,-2.9 47,-0.3 47,-0.4 -0.137 105.8 37.6 158.2 -47.1 7.0 -1.7 8.5 14 18 A G S < S- 0 0 3 -3,-1.1 22,-0.5 45,-0.4 -1,-0.3 0.332 85.5 -89.3-103.1-132.8 6.4 0.6 11.4 15 19 A E S S- 0 0 48 22,-0.1 11,-0.1 20,-0.1 10,-0.1 -0.843 72.0 -39.0-156.9 120.3 3.8 0.8 14.2 16 20 A S S S+ 0 0 47 -2,-0.3 2,-0.4 1,-0.1 10,-0.2 0.829 71.7 178.1 35.3 90.1 0.4 2.5 14.3 17 21 A H E -G 25 0B 32 8,-0.5 8,-3.3 39,-0.1 2,-0.7 -0.969 27.2-145.0-131.2 133.8 0.8 5.8 12.6 18 22 A V E -G 24 0B 68 -2,-0.4 6,-0.3 6,-0.3 2,-0.1 -0.842 22.1-141.0 -95.2 116.2 -1.5 8.7 11.8 19 23 A D E >> -G 23 0B 4 4,-2.8 3,-3.2 -2,-0.7 4,-0.5 -0.409 29.2-103.4 -71.8 156.0 -0.8 10.3 8.4 20 24 A V T 34 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.579 123.3 57.5 -61.4 -13.4 -1.1 14.1 8.2 21 25 A H T 34 S- 0 0 112 2,-0.1 -18,-1.1 -19,-0.1 -1,-0.3 0.425 130.0 -97.1 -93.6 -0.7 -4.4 13.7 6.4 22 26 A G T <4 S+ 0 0 27 -3,-3.2 2,-0.7 1,-0.2 -2,-0.2 0.754 73.6 149.6 93.7 31.1 -5.6 11.8 9.3 23 27 A I E < -G 19 0B 4 -4,-0.5 -4,-2.8 -19,-0.0 2,-0.7 -0.842 31.6-155.9-103.9 109.3 -5.0 8.3 8.1 24 28 A H E -G 18 0B 90 -2,-0.7 2,-0.4 -6,-0.3 -6,-0.3 -0.735 7.0-144.6 -92.1 114.0 -4.2 5.8 10.9 25 29 A Y E -G 17 0B 2 -8,-3.3 2,-0.8 -2,-0.7 -8,-0.5 -0.624 22.1-116.9 -78.5 131.2 -2.2 2.7 9.9 26 30 A R - 0 0 90 -17,-3.5 2,-0.1 -2,-0.4 -1,-0.1 -0.590 37.3-109.2 -69.9 102.5 -3.1 -0.4 11.8 27 31 A K S S- 0 0 84 -2,-0.8 8,-0.1 1,-0.2 -1,-0.1 -0.096 76.3 -49.7 -39.0 96.3 0.1 -1.4 13.8 28 32 A D S S+ 0 0 0 -17,-0.3 -1,-0.2 1,-0.1 -16,-0.1 0.843 77.0 171.6 30.2 78.3 1.2 -4.5 11.9 29 33 A P + 0 0 32 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.372 63.1 49.1 -97.4 2.8 -2.1 -6.4 11.9 30 34 A L S S+ 0 0 27 1,-0.2 2,-1.2 4,-0.1 38,-0.2 0.691 89.1 72.6-119.0 -24.4 -1.4 -9.3 9.6 31 35 A E S > S- 0 0 47 1,-0.2 3,-1.4 3,-0.2 -1,-0.2 -0.708 142.2 -38.1 -94.9 86.5 1.9 -10.9 10.7 32 36 A G T 3 S- 0 0 62 -2,-1.2 -1,-0.2 1,-0.3 3,-0.1 0.453 96.3 -95.3 73.8 -0.6 0.7 -12.6 13.8 33 37 A R T 3 S+ 0 0 184 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.836 93.1 129.6 51.0 39.6 -1.2 -9.4 14.0 34 38 A V < - 0 0 93 -3,-1.4 2,-0.4 2,-0.0 -1,-0.2 -0.976 52.6-134.6-122.5 137.1 1.6 -8.1 16.2 35 39 A G + 0 0 15 -2,-0.4 2,-0.2 -8,-0.1 -20,-0.1 -0.735 28.5 163.2 -99.9 135.4 3.3 -4.8 15.6 36 40 A R - 0 0 154 -22,-0.5 2,-0.4 -2,-0.4 -21,-0.1 -0.741 34.5-134.5-149.6 95.4 7.1 -4.2 15.7 37 41 A A - 0 0 35 -2,-0.2 2,-0.4 1,-0.1 -23,-0.3 -0.302 21.0-175.1 -56.7 107.5 8.4 -1.0 14.1 38 42 A S + 0 0 31 -25,-2.9 22,-0.5 -2,-0.4 3,-0.3 -0.365 33.2 136.4-103.0 50.1 11.3 -2.2 12.1 39 43 A D + 0 0 68 -2,-0.4 2,-3.2 1,-0.2 21,-0.2 0.996 13.2 140.8 -56.7 -74.2 12.4 1.3 11.0 40 44 A Y + 0 0 223 -3,-0.2 2,-0.7 1,-0.2 -1,-0.2 -0.274 65.8 55.3 68.9 -63.2 16.2 0.9 11.6 41 45 A G > + 0 0 18 -2,-3.2 3,-1.4 -3,-0.3 -1,-0.2 -0.427 56.6 146.2-102.8 60.5 17.2 2.9 8.6 42 46 A M T 3 + 0 0 106 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.476 61.4 80.7 -71.9 -0.4 15.4 6.1 9.1 43 47 A K T 3 S+ 0 0 180 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.334 75.7 77.7 -88.1 5.4 18.4 7.7 7.4 44 48 A L S < S- 0 0 72 -3,-1.4 -1,-0.2 44,-0.0 -3,-0.1 -0.740 76.8-157.3-116.5 79.5 16.9 6.8 4.1 45 49 A P - 0 0 69 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.214 20.4-138.5 -57.8 144.5 14.2 9.4 3.4 46 50 A I - 0 0 3 3,-0.2 2,-3.2 1,-0.2 76,-0.7 0.525 31.0-153.0 -81.0 -5.1 11.4 8.5 1.0 47 51 A L S S+ 0 0 130 1,-0.2 -1,-0.2 2,-0.2 74,-0.1 -0.237 81.8 68.1 69.3 -53.0 11.9 12.1 -0.2 48 52 A R S S+ 0 0 191 -2,-3.2 2,-0.3 -3,-0.1 -1,-0.2 0.736 95.4 67.0 -68.6 -21.9 8.3 12.5 -1.4 49 53 A S S S- 0 0 14 2,-0.1 -2,-0.2 5,-0.1 -3,-0.2 -0.765 84.9-112.0-113.7 146.5 6.9 12.4 2.1 50 54 A N > - 0 0 74 -2,-0.3 4,-3.2 1,-0.1 3,-0.4 -0.458 51.2 -93.1 -69.2 146.0 7.1 14.6 5.2 51 55 A P H > S+ 0 0 90 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.673 120.8 39.5 -38.2 -43.6 9.1 13.1 8.1 52 56 A E H > S+ 0 0 94 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.959 122.7 37.7 -78.6 -50.1 6.2 11.4 10.0 53 57 A D H 4 S+ 0 0 11 -3,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.750 109.2 66.4 -74.9 -19.9 4.1 10.2 7.0 54 58 A Q H >< S+ 0 0 26 -4,-3.2 3,-1.2 2,-0.2 4,-0.4 0.909 97.6 53.0 -59.7 -43.3 7.4 9.4 5.4 55 59 A V H >X S+ 0 0 38 -4,-1.3 4,-2.3 -3,-0.3 3,-1.2 0.928 107.0 51.9 -54.2 -43.8 7.8 6.8 8.2 56 60 A L T 3< S+ 0 0 8 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.606 118.4 37.6 -67.5 -14.0 4.4 5.6 7.1 57 61 A Y T <4 S+ 0 0 36 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.258 123.8 39.4-118.4 7.7 5.8 5.4 3.5 58 62 A Q T <4 S+ 0 0 20 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.2 0.683 83.0 95.5-127.2 -43.0 9.3 4.2 4.4 59 63 A T < - 0 0 3 -4,-2.3 105,-0.4 -5,-0.2 -45,-0.4 -0.401 54.8-163.9 -67.4 130.8 9.3 1.6 7.2 60 64 A E - 0 0 53 -22,-0.5 -47,-0.3 -47,-0.4 -22,-0.2 -0.774 6.8-150.0-114.9 156.6 9.4 -2.1 6.0 61 65 A R - 0 0 14 101,-1.1 2,-1.0 -49,-0.6 -1,-0.1 -0.237 46.6 -56.1-106.2-157.5 8.6 -5.4 7.7 62 66 A Y - 0 0 118 -2,-0.1 2,-0.2 97,-0.0 -49,-0.0 -0.718 47.9-152.8 -96.8 99.2 9.9 -8.9 7.1 63 67 A N + 0 0 11 -2,-1.0 3,-0.1 1,-0.2 96,-0.1 -0.491 40.2 132.9 -68.2 132.6 9.5 -10.2 3.5 64 68 A E - 0 0 159 1,-0.5 2,-0.2 -2,-0.2 -1,-0.2 0.408 65.2 -33.6-143.3 -59.9 9.1 -13.9 3.3 65 69 A D S S- 0 0 75 88,-0.1 2,-0.7 89,-0.1 -1,-0.5 -0.736 93.6 -28.8-151.7-163.7 6.3 -15.1 1.2 66 70 A S + 0 0 54 -2,-0.2 2,-0.4 88,-0.1 88,-0.2 -0.498 64.1 168.8 -63.7 107.7 2.7 -14.3 0.1 67 71 A F E -H 153 0C 30 86,-1.6 86,-1.7 -2,-0.7 2,-0.3 -0.983 11.1-170.0-124.5 140.2 1.2 -12.3 3.0 68 72 A G E -H 152 0C 29 -2,-0.4 84,-0.3 84,-0.2 2,-0.3 -0.872 18.6-118.7-136.8 161.8 -2.0 -10.5 2.7 69 73 A Y E -H 151 0C 3 82,-2.1 82,-0.9 -2,-0.3 2,-0.6 -0.661 13.1-143.6-100.4 152.9 -4.4 -8.0 4.2 70 74 A D E -H 150 0C 71 -2,-0.3 80,-0.2 80,-0.2 -2,-0.0 -0.943 17.3-178.9-116.2 103.6 -8.1 -8.5 5.3 71 75 A I E -H 149 0C 0 78,-3.3 78,-3.3 -2,-0.6 2,-0.2 -0.807 22.4-143.0-103.9 89.9 -10.1 -5.4 4.6 72 76 A P E -H 148 0C 85 0, 0.0 2,-0.4 0, 0.0 76,-0.2 -0.324 22.1-172.1 -57.6 117.5 -13.7 -6.2 5.9 73 77 A I + 0 0 7 74,-1.0 74,-0.1 -2,-0.2 3,-0.0 -0.931 24.3 164.7-117.1 136.3 -16.2 -4.5 3.6 74 78 A K + 0 0 206 -2,-0.4 2,-0.2 2,-0.0 -1,-0.1 0.224 63.8 50.2-130.4 10.2 -19.9 -4.4 4.1 75 79 A E S S- 0 0 108 2,-0.0 2,-0.3 59,-0.0 57,-0.1 -0.746 71.6-118.4-139.1-176.9 -20.9 -1.7 1.6 76 80 A E + 0 0 81 -2,-0.2 2,-0.3 2,-0.0 56,-0.2 -0.906 53.6 87.0-130.3 157.5 -20.5 -0.8 -2.1 77 81 A G E S-B 131 0A 14 54,-0.7 54,-2.8 -2,-0.3 2,-0.9 -0.965 83.9 -37.3 148.1-162.8 -19.0 2.2 -3.8 78 82 A E E -B 130 0A 84 93,-1.0 2,-0.6 -2,-0.3 52,-0.2 -0.801 54.1-170.8 -99.7 102.7 -15.6 3.3 -5.1 79 83 A Y E -B 129 0A 6 50,-1.4 50,-3.0 -2,-0.9 2,-0.8 -0.800 10.0-152.4 -94.7 124.3 -12.9 2.1 -2.7 80 84 A V E -BC 128 169A 6 89,-2.5 89,-2.2 -2,-0.6 2,-1.0 -0.831 6.5-165.2-104.8 105.7 -9.6 3.5 -3.5 81 85 A L E +BC 127 168A 0 46,-2.9 46,-2.9 -2,-0.8 2,-0.7 -0.789 14.0 173.4 -89.5 101.4 -6.7 1.4 -2.4 82 86 A V E -B 126 0A 31 85,-2.9 2,-0.4 -2,-1.0 85,-0.3 -0.915 6.0-177.9-113.6 104.6 -3.7 3.5 -2.6 83 87 A L E -B 125 0A 0 42,-1.7 42,-2.0 -2,-0.7 2,-0.7 -0.870 20.2-140.5-104.5 134.5 -0.7 1.8 -1.2 84 88 A K E -BD 124 165A 27 81,-0.6 81,-3.3 -2,-0.4 2,-0.4 -0.856 22.0-164.2 -96.0 120.1 2.7 3.4 -0.9 85 89 A F E -BD 123 164A 1 38,-2.8 38,-2.4 -2,-0.7 2,-0.3 -0.822 9.0-177.9-106.3 141.8 5.5 1.0 -1.8 86 90 A A E - D 0 163A 0 77,-1.0 77,-2.1 -2,-0.4 2,-0.3 -0.982 4.2-173.8-136.4 148.4 9.2 1.5 -1.0 87 91 A E + 0 0 9 -2,-0.3 2,-0.2 34,-0.3 34,-0.1 -0.918 16.3 157.0-148.4 116.0 12.2 -0.7 -1.8 88 92 A V + 0 0 59 -2,-0.3 3,-0.1 32,-0.1 31,-0.0 -0.669 55.6 71.8-137.3 80.9 15.8 -0.2 -0.7 89 93 A Y S S+ 0 0 159 -2,-0.2 2,-0.6 1,-0.1 -2,-0.0 0.291 89.8 30.0-150.4 -69.5 17.6 -3.6 -0.8 90 94 A F - 0 0 78 2,-0.1 2,-1.4 6,-0.0 24,-0.2 -0.923 67.5-140.4-116.4 111.3 18.6 -5.1 -4.2 91 95 A A + 0 0 66 -2,-0.6 2,-0.3 -3,-0.1 -3,-0.0 -0.538 56.2 118.8 -72.0 91.1 19.2 -2.7 -7.1 92 96 A Q - 0 0 76 -2,-1.4 2,-0.3 4,-0.1 4,-0.3 -0.961 45.1-150.9-156.3 140.4 17.6 -4.5 -10.0 93 97 A S S S+ 0 0 36 -2,-0.3 4,-0.1 1,-0.2 20,-0.1 -0.814 75.4 11.2-114.3 152.3 14.8 -3.7 -12.4 94 98 A Q S S+ 0 0 114 -2,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.789 118.4 69.9 53.0 32.8 12.3 -5.9 -14.3 95 99 A Q S S+ 0 0 88 -3,-0.3 2,-2.1 1,-0.1 -1,-0.1 0.445 82.2 61.6-138.1 -50.5 13.5 -8.8 -12.1 96 100 A K S S+ 0 0 0 -4,-0.3 2,-0.7 60,-0.1 17,-0.3 -0.558 74.8 165.7 -79.4 75.4 12.2 -8.1 -8.7 97 101 A V - 0 0 48 -2,-2.1 15,-0.2 15,-0.1 14,-0.2 -0.855 17.1-162.2-106.6 110.2 8.6 -8.2 -9.9 98 102 A F E -I 111 0C 0 13,-2.2 13,-2.2 -2,-0.7 12,-2.0 -0.376 15.8-121.4 -87.7 164.1 6.0 -8.5 -7.2 99 103 A D E -IJ 109 154C 5 55,-1.8 55,-0.7 10,-0.2 2,-0.4 -0.901 22.6-171.8-104.7 137.8 2.4 -9.5 -7.2 100 104 A V E -IJ 108 153C 0 8,-0.9 7,-2.1 -2,-0.4 8,-1.5 -0.964 7.8-178.3-131.9 113.1 -0.2 -7.1 -6.0 101 105 A R E -IJ 106 152C 76 51,-1.4 51,-0.8 -2,-0.4 2,-0.8 -0.952 19.4-156.6-122.6 130.1 -3.8 -8.4 -5.6 102 106 A V E > S-IJ 105 151C 0 3,-2.8 3,-1.1 -2,-0.5 49,-0.2 -0.873 90.7 -21.7-105.6 99.9 -6.9 -6.6 -4.5 103 107 A N T 3 S- 0 0 18 47,-1.2 -1,-0.3 -2,-0.8 48,-0.2 0.957 134.0 -44.5 57.9 51.8 -9.3 -9.2 -3.2 104 108 A G T 3 S+ 0 0 40 46,-1.8 2,-0.8 -3,-0.3 -1,-0.2 0.144 112.7 129.1 85.5 -20.2 -7.4 -11.8 -5.2 105 109 A H E < -I 102 0C 16 -3,-1.1 -3,-2.8 45,-0.1 2,-1.2 -0.568 56.8-140.6 -79.3 107.3 -7.3 -9.5 -8.2 106 110 A T E +I 101 0C 61 -2,-0.8 3,-0.3 -5,-0.3 -5,-0.3 -0.513 37.4 157.6 -68.5 96.6 -3.8 -9.1 -9.6 107 111 A V E S+ 0 0 40 -7,-2.1 2,-0.6 -2,-1.2 -1,-0.2 0.887 75.8 28.5 -85.3 -46.1 -3.7 -5.5 -10.4 108 112 A V E > +I 100 0C 10 -8,-1.5 -8,-0.9 -3,-0.2 2,-0.9 -0.795 66.1 161.1-119.2 88.4 0.1 -5.1 -10.3 109 113 A K E 3 S+I 99 0C 118 -2,-0.6 -10,-0.2 -3,-0.3 -12,-0.1 -0.692 76.3 44.8-103.9 76.5 1.6 -8.5 -11.2 110 114 A D E 3 S+ 0 0 54 -12,-2.0 2,-0.9 -2,-0.9 -1,-0.2 0.245 72.1 167.8 162.4 14.0 5.0 -7.1 -12.1 111 115 A L E < +I 98 0C 1 -13,-2.2 -13,-2.2 -3,-0.6 2,-0.7 -0.347 1.3 165.7 -66.5 98.3 5.7 -4.7 -9.3 112 116 A D >> - 0 0 0 -2,-0.9 4,-1.7 -15,-0.2 3,-0.6 -0.860 11.4-176.1-112.9 94.6 9.4 -3.8 -9.5 113 117 A I H 3>>S+ 0 0 0 -2,-0.7 4,-3.3 -17,-0.3 5,-0.6 0.896 77.5 58.7 -61.0 -46.8 9.7 -0.7 -7.3 114 118 A F H 3>5S+ 0 0 61 -22,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.831 109.4 45.9 -53.6 -37.2 13.4 -0.0 -8.1 115 119 A D H <45S+ 0 0 65 -3,-0.6 -1,-0.2 -23,-0.3 -2,-0.2 0.903 115.7 45.9 -71.7 -39.5 12.6 0.4 -11.7 116 120 A R H <5S+ 0 0 127 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.2 0.903 128.5 23.3 -74.2 -43.7 9.5 2.5 -11.1 117 121 A V H <5S- 0 0 33 -4,-3.3 2,-1.8 1,-0.1 -3,-0.2 0.797 82.6-161.5 -92.7 -32.7 11.1 4.9 -8.6 118 122 A G S < - E 0 135A 127 3,-2.5 3,-1.6 -2,-0.5 -2,-0.0 -0.954 67.1 -7.4-148.4 129.7 -22.0 -2.6 -6.9 133 137 A K T 3 S- 0 0 170 -2,-0.3 3,-0.1 1,-0.3 -57,-0.0 0.743 131.3 -52.4 60.6 24.9 -24.7 -5.1 -5.8 134 138 A G T 3 S+ 0 0 35 1,-0.3 11,-2.9 10,-0.1 2,-0.4 0.573 113.6 117.2 90.0 8.4 -22.0 -7.1 -4.0 135 139 A K E < -EF 132 144A 87 -3,-1.6 -3,-2.5 9,-0.3 2,-0.6 -0.927 52.9-148.4-111.7 139.7 -19.6 -7.4 -7.0 136 140 A L E -EF 131 143A 0 7,-2.8 7,-1.8 -2,-0.4 2,-0.6 -0.914 9.9-168.6-115.1 115.7 -16.2 -5.8 -6.9 137 141 A S E -EF 130 142A 33 -7,-2.7 -7,-3.0 -2,-0.6 2,-0.7 -0.903 1.4-168.6-109.1 115.0 -14.6 -4.5 -10.1 138 142 A V E > -EF 129 141A 1 3,-3.0 3,-2.8 -2,-0.6 2,-1.9 -0.880 64.7 -58.5-105.8 104.9 -11.0 -3.5 -10.0 139 143 A Q T 3 S- 0 0 134 -11,-0.8 -2,-0.0 -2,-0.7 3,-0.0 -0.411 126.7 -15.7 64.2 -82.4 -10.0 -1.6 -13.1 140 144 A G T 3 S+ 0 0 62 -2,-1.9 2,-0.7 1,-0.0 -1,-0.3 0.332 116.3 97.6-130.5 1.7 -11.0 -4.3 -15.6 141 145 A E E < -F 138 0A 104 -3,-2.8 -3,-3.0 -36,-0.0 2,-0.6 -0.852 51.6-174.2 -99.1 112.8 -11.3 -7.3 -13.3 142 146 A V E +F 137 0A 100 -2,-0.7 2,-0.3 -5,-0.3 -5,-0.2 -0.925 17.7 142.4-115.0 119.2 -14.9 -7.9 -12.3 143 147 A S E -F 136 0A 57 -7,-1.8 -7,-2.8 -2,-0.6 2,-0.1 -0.975 54.7 -86.6-145.9 156.2 -15.8 -10.6 -9.8 144 148 A T E -F 135 0A 93 -2,-0.3 -9,-0.3 -9,-0.3 2,-0.2 -0.399 47.5-116.1 -63.2 140.6 -18.3 -11.0 -6.9 145 149 A F - 0 0 40 -11,-2.9 2,-0.4 -2,-0.1 4,-0.1 -0.557 29.0-163.4 -79.5 142.8 -17.1 -9.6 -3.6 146 150 A T - 0 0 99 2,-0.4 2,-2.6 -2,-0.2 -11,-0.0 -0.883 53.6 -51.9-138.0 102.7 -16.7 -12.1 -0.8 147 151 A G S S- 0 0 60 -2,-0.4 -74,-1.0 -74,-0.1 2,-0.3 -0.325 112.8 -7.7 77.6 -64.3 -16.4 -11.1 2.9 148 152 A K E S-H 72 0C 60 -2,-2.6 -2,-0.4 -76,-0.2 2,-0.4 -0.956 78.2 -83.5-155.9 170.7 -13.6 -8.6 2.6 149 153 A L E -H 71 0C 0 -78,-3.3 -78,-3.3 -2,-0.3 2,-0.6 -0.711 44.1-157.1 -81.2 131.2 -11.0 -7.0 0.4 150 154 A S E -H 70 0C 10 -2,-0.4 -46,-1.8 -80,-0.2 2,-1.2 -0.856 10.5-167.8-123.5 102.4 -8.0 -9.2 0.3 151 155 A V E +HJ 69 102C 1 -82,-0.9 -82,-2.1 -2,-0.6 2,-0.6 -0.701 13.1 178.3 -93.0 96.0 -4.7 -7.7 -0.6 152 156 A E E -HJ 68 101C 55 -2,-1.2 -51,-1.4 -51,-0.8 2,-0.5 -0.862 6.5-170.9 -98.7 119.8 -2.3 -10.6 -1.2 153 157 A F E -HJ 67 100C 1 -86,-1.7 -86,-1.6 -2,-0.6 2,-0.3 -0.961 9.4-155.1-115.9 126.6 1.2 -9.6 -2.2 154 158 A V E - J 0 99C 24 -55,-0.7 -55,-1.8 -2,-0.5 -88,-0.1 -0.736 21.0-104.1-107.4 144.6 3.5 -12.4 -3.4 155 159 A K + 0 0 84 -2,-0.3 5,-0.3 -57,-0.2 4,-0.2 -0.375 34.9 174.9 -68.0 137.1 7.3 -12.5 -3.3 156 160 A G S S+ 0 0 34 3,-2.8 2,-1.3 1,-0.2 -1,-0.1 0.651 76.9 8.5-101.8 -93.6 9.1 -12.1 -6.6 157 161 A Y S S- 0 0 103 2,-0.2 2,-2.7 1,-0.1 -1,-0.2 -0.732 129.6 -65.2 -89.9 87.1 12.8 -12.0 -6.4 158 162 A Y S S+ 0 0 141 -2,-1.3 -1,-0.1 -3,-0.1 -3,-0.1 -0.415 126.4 71.2 65.1 -71.6 12.9 -13.0 -2.7 159 163 A D - 0 0 0 -2,-2.7 -3,-2.8 -4,-0.2 -2,-0.2 -0.289 60.8-168.6 -69.0 152.0 11.2 -9.8 -1.6 160 164 A N S S- 0 0 0 -5,-0.3 2,-0.7 -4,-0.1 -5,-0.1 -0.420 70.9 -24.8-110.1-165.1 7.6 -8.9 -2.2 161 165 A P S S- 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -74,-0.1 -0.320 73.1-167.3 -42.1 96.3 6.2 -5.4 -1.6 162 166 A K S S+ 0 0 15 -2,-0.7 -101,-1.1 1,-0.2 2,-0.5 0.967 71.5 29.6 -64.6 -62.6 8.9 -4.6 0.9 163 167 A V E S- D 0 86A 2 -77,-2.1 -77,-1.0 -103,-0.2 2,-0.4 -0.898 76.5-170.2 -96.9 132.6 7.4 -1.4 2.4 164 168 A C E +AD 12 85A 0 -152,-1.4 -152,-2.5 -2,-0.5 2,-1.2 -0.754 17.9 176.4-134.5 88.1 3.6 -1.5 2.3 165 169 A A E -AD 11 84A 3 -81,-3.3 -81,-0.6 -2,-0.4 -154,-0.3 -0.241 23.9-174.3 -80.0 36.5 1.8 1.8 3.1 166 170 A L E +A 10 0A 2 -2,-1.2 -156,-2.7 -156,-0.9 2,-0.4 -0.149 7.2 175.2 -35.9 120.5 -1.5 0.1 2.3 167 171 A F E -A 9 0A 16 -85,-0.3 -85,-2.9 -158,-0.2 2,-0.6 -0.900 10.2-174.5-136.2 109.7 -4.3 2.8 2.5 168 172 A I E -AC 8 81A 0 -160,-2.1 -160,-1.7 -2,-0.4 -161,-1.7 -0.910 9.7-178.3-104.2 121.5 -7.9 1.9 1.6 169 173 A M E -AC 6 80A 18 -89,-2.2 -89,-2.5 -2,-0.6 2,-0.3 -0.859 21.5-112.6-119.1 152.5 -10.3 4.8 1.6 170 174 A K S S+ 0 0 63 -165,-2.1 2,-0.2 -2,-0.3 -91,-0.2 -0.637 70.6 2.9 -97.9 139.4 -14.0 4.7 0.9 171 175 A G S S+ 0 0 27 -2,-0.3 -93,-1.0 3,-0.0 2,-0.3 -0.202 106.9 14.7 104.9 -28.9 -16.3 6.0 -1.8 172 176 A T - 0 0 68 -2,-0.2 -92,-0.3 -95,-0.1 -3,-0.1 -0.992 48.3-133.9-171.8 155.0 -14.2 7.7 -4.5 173 177 A A 0 0 59 -2,-0.3 -1,-0.1 1,-0.2 -94,-0.0 0.664 360.0 360.0 -84.8 -21.2 -10.9 8.4 -6.1 174 178 A D 0 0 191 -3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.668 360.0 360.0 -82.5 360.0 -11.6 12.1 -6.3