==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 06-JUL-92 1BW4 . COMPND 2 MOLECULE: BARWIN, BASIC BARLEY SEED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR F.M.POULSEN . 125 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 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 . 18 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 2 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 E 0 0 132 0, 0.0 119,-1.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -40.2 2.7 13.3 -0.7 2 2 A Q E +A 119 0A 143 117,-0.2 2,-0.4 115,-0.0 117,-0.2 -0.902 360.0 162.5-113.9 102.5 6.4 13.5 -1.6 3 3 A A E -A 118 0A 17 115,-1.7 115,-1.7 -2,-0.6 2,-0.2 -0.962 12.5-171.9-121.3 141.1 8.7 11.1 0.4 4 4 A N E + 0 0 89 -2,-0.4 113,-0.2 1,-0.2 112,-0.1 -0.754 61.8 24.3-123.4 171.7 12.3 10.1 -0.7 5 5 A D E S+ 0 0 111 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.919 78.2 176.6 37.2 60.8 14.9 7.6 0.6 6 6 A V E -A 116 0A 27 110,-2.5 2,-2.1 -3,-0.2 110,-1.9 -0.855 35.8-139.0-101.2 123.3 12.1 5.5 2.2 7 7 A R E -A 115 0A 225 -2,-0.6 108,-0.2 108,-0.2 2,-0.2 -0.606 41.6-163.4 -74.3 87.3 13.2 2.3 3.8 8 8 A A E -A 114 0A 10 106,-2.2 106,-2.9 -2,-2.1 2,-0.1 -0.537 17.0-144.0 -86.3 148.3 10.1 0.6 2.3 9 9 A T E -A 113 0A 71 104,-0.3 104,-0.2 -2,-0.2 103,-0.1 -0.422 20.1-124.7 -93.4 170.8 8.6 -2.7 3.4 10 10 A Y + 0 0 65 102,-1.3 2,-1.5 -2,-0.1 81,-0.2 -0.321 44.9 152.4-120.4 57.3 7.1 -4.9 0.7 11 11 A H E +d 91 0B 88 79,-1.8 81,-1.7 78,-0.1 2,-0.9 -0.667 15.3 173.0 -94.1 95.8 3.4 -5.7 1.7 12 12 A Y E -d 92 0B 64 -2,-1.5 81,-0.3 79,-0.2 -1,-0.1 -0.833 21.1-149.6 -97.8 87.3 1.9 -6.3 -1.7 13 13 A Y - 0 0 120 79,-2.7 37,-0.1 -2,-0.9 81,-0.1 -0.270 21.8-110.5 -58.2 160.3 -1.6 -7.5 -1.0 14 14 A R + 0 0 145 1,-0.2 4,-0.3 79,-0.1 3,-0.2 -0.742 42.0 165.5-100.1 85.0 -3.1 -10.0 -3.7 15 15 A P > > + 0 0 8 0, 0.0 3,-2.0 0, 0.0 5,-0.7 0.982 69.9 60.6 -56.6 -73.7 -5.9 -8.4 -5.9 16 16 A A G > 5S+ 0 0 53 78,-0.3 3,-2.7 1,-0.3 5,-0.1 0.685 81.3 91.4 -20.9 -50.2 -6.3 -10.8 -8.9 17 17 A Q G 3 5S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.2 2,-0.0 0.709 104.5 17.8 -19.2 -58.3 -7.1 -13.6 -6.4 18 18 A N G X 5S- 0 0 81 -3,-2.0 3,-3.3 -4,-0.3 -1,-0.3 -0.429 116.1 -96.4-122.9 55.8 -10.8 -12.8 -6.7 19 19 A N T < 5S- 0 0 105 -3,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.606 78.6 -65.6 38.4 22.3 -11.0 -10.8 -10.0 20 20 A W T 3 S- 0 0 21 -3,-3.0 3,-3.0 -6,-0.1 4,-0.8 -0.099 80.8-113.6 -39.6 116.7 -16.0 -10.0 -0.9 25 25 A P T 34 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.659 109.3 49.6 -31.3 -66.1 -16.6 -9.9 2.9 26 26 A A T 34 S+ 0 0 103 1,-0.2 -2,-0.1 2,-0.0 -3,-0.1 0.455 118.8 37.4 -53.5 -9.4 -13.1 -10.4 4.3 27 27 A V T <4 + 0 0 51 -3,-3.0 -1,-0.2 -5,-0.3 -4,-0.1 0.808 62.9 158.9-108.4 -64.6 -11.5 -7.7 2.0 28 28 A S < - 0 0 76 -6,-1.7 -5,-0.1 -4,-0.8 -6,-0.1 0.795 24.4-164.6 30.5 67.0 -13.7 -4.7 1.5 29 29 A A > - 0 0 6 -7,-0.2 3,-1.7 2,-0.1 4,-0.5 -0.256 38.1 -87.7 -66.6 157.3 -11.2 -1.9 0.5 30 30 A Y T 3 S+ 0 0 141 1,-0.3 3,-0.3 55,-0.2 54,-0.1 0.815 125.9 23.6 -36.6 -59.1 -12.3 1.9 0.6 31 31 A a T >> S+ 0 0 20 52,-0.5 4,-3.3 1,-0.2 3,-2.6 0.410 89.9 111.7 -93.4 4.3 -13.8 2.2 -2.9 32 32 A A H <>>S+ 0 0 1 -3,-1.7 4,-2.5 1,-0.3 5,-0.5 0.885 75.6 56.5 -37.3 -57.8 -14.6 -1.6 -3.2 33 33 A T H 345S+ 0 0 106 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.669 122.0 27.4 -48.0 -25.4 -18.3 -0.9 -3.1 34 34 A W H <45S+ 0 0 170 -3,-2.6 -2,-0.2 -4,-0.1 -1,-0.2 0.772 128.8 39.5-107.5 -42.3 -18.0 1.4 -6.0 35 35 A D H ><5S+ 0 0 10 -4,-3.3 3,-3.1 1,-0.2 -3,-0.2 0.875 98.7 68.9 -80.0 -45.1 -14.9 0.0 -7.9 36 36 A A T 3<5S+ 0 0 20 -4,-2.5 -1,-0.2 -5,-0.4 -3,-0.1 0.810 100.1 57.4 -46.6 -30.0 -15.4 -3.8 -7.6 37 37 A S T 3 - 0 0 107 0, 0.0 3,-0.8 0, 0.0 4,-0.5 -0.284 43.6-102.4 -51.8 124.3 -16.0 -3.6 -16.0 40 40 A L T 3> S+ 0 0 96 1,-0.2 4,-2.7 2,-0.1 5,-0.5 0.524 107.5 84.1 -16.5 -35.8 -12.5 -5.5 -15.9 41 41 A S H 3> S+ 0 0 83 2,-0.2 4,-3.5 1,-0.2 3,-0.4 0.940 98.4 27.8 -43.5 -79.8 -11.1 -3.0 -18.4 42 42 A W H <> S+ 0 0 78 -3,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.953 118.5 60.8 -50.1 -54.5 -10.0 -0.1 -16.1 43 43 A R H 4 S+ 0 0 6 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.840 122.3 21.1 -38.2 -52.3 -9.5 -2.5 -13.2 44 44 A S H < S+ 0 0 67 -4,-2.7 -1,-0.2 -3,-0.4 -2,-0.2 0.767 105.8 82.6 -92.1 -32.9 -6.8 -4.5 -15.0 45 45 A K H < S+ 0 0 112 -4,-3.5 2,-0.2 -5,-0.5 -2,-0.2 0.868 105.7 26.4 -37.9 -50.7 -5.8 -1.8 -17.6 46 46 A Y S < S- 0 0 78 -4,-1.6 34,-0.1 1,-0.2 51,-0.0 -0.486 98.1 -99.3-106.5-178.2 -3.5 -0.3 -15.0 47 47 A G - 0 0 15 32,-0.4 2,-0.3 -2,-0.2 -1,-0.2 0.282 40.6-111.4 -80.4-144.1 -1.8 -2.0 -11.9 48 48 A W + 0 0 4 2,-0.0 2,-0.4 35,-0.0 50,-0.3 -0.851 28.9 174.1-165.1 121.7 -3.2 -1.9 -8.4 49 49 A T E -e 82 0C 2 32,-1.6 34,-2.2 -2,-0.3 2,-1.3 -0.848 14.7-172.2-130.9 97.0 -2.2 -0.3 -5.1 50 50 A A E -e 84 0C 5 -2,-0.4 -37,-0.3 33,-0.2 35,-0.2 -0.841 46.5-143.7 -80.2 111.9 -4.4 -0.4 -1.9 51 51 A F E +e 85 0C 6 33,-2.7 35,-2.6 -2,-1.3 41,-0.3 -0.385 35.0 154.6 -82.9 153.5 -1.8 2.0 -0.4 52 52 A b + 0 0 8 39,-1.7 35,-0.1 33,-0.2 3,-0.1 -0.863 15.2 102.8-156.0-172.1 -0.5 2.3 3.2 53 53 A G S S- 0 0 44 33,-0.4 36,-0.1 -2,-0.2 37,-0.1 -0.845 71.2 -72.0 130.9-168.7 2.7 3.5 5.1 54 54 A P S S+ 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.820 107.9 44.3 -90.3 -59.2 3.8 6.5 7.3 55 55 A A S S+ 0 0 44 1,-0.2 -52,-0.1 -3,-0.1 -3,-0.1 -0.688 97.8 50.9 -91.7 144.8 4.2 9.5 4.8 56 56 A G - 0 0 3 -2,-0.3 2,-0.9 1,-0.1 -1,-0.2 0.797 64.0-170.2 102.0 40.2 1.5 10.2 2.2 57 57 A P + 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.469 28.4 144.5 -67.1 100.2 -1.7 10.2 4.2 58 58 A R + 0 0 64 -2,-0.9 -7,-0.1 2,-0.1 4,-0.0 -0.794 9.9 126.6-141.8 94.3 -4.3 10.2 1.4 59 59 A G >> + 0 0 16 -2,-0.3 3,-1.5 3,-0.1 4,-0.7 0.652 64.8 46.7-111.0 -85.5 -7.5 8.2 2.1 60 60 A Q G >4 S+ 0 0 184 1,-0.3 2,-1.4 2,-0.2 3,-0.6 0.798 128.5 17.7 -21.0 -91.2 -10.7 10.2 1.7 61 61 A A G 34 S+ 0 0 87 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 -0.331 106.3 93.0 -89.5 55.1 -10.3 11.9 -1.8 62 62 A A G X4 + 0 0 3 -3,-1.5 3,-2.9 -2,-1.4 2,-2.3 0.777 49.9 92.6-111.6 -45.5 -7.4 9.6 -2.8 63 63 A a T << S+ 0 0 43 -4,-0.7 20,-0.2 -3,-0.6 -1,-0.1 -0.272 89.3 49.5 -56.7 76.5 -9.3 6.8 -4.8 64 64 A G T 3 S+ 0 0 65 -2,-2.3 59,-0.3 18,-0.7 -1,-0.3 0.167 95.7 75.1 174.5 -26.0 -8.7 8.7 -8.1 65 65 A K < - 0 0 65 -3,-2.9 17,-1.2 17,-0.2 -1,-0.4 -0.501 68.3-120.6-103.9 174.2 -5.0 9.6 -8.2 66 66 A c E -BC 81 121A 4 55,-2.3 55,-2.4 15,-0.2 2,-0.5 -0.676 6.5-141.3-111.1 164.3 -1.8 7.7 -8.8 67 67 A L E -BC 80 120A 2 13,-2.0 13,-3.0 53,-0.3 2,-0.4 -0.979 18.4-144.4-122.2 115.0 1.4 7.0 -6.9 68 68 A R E -BC 79 119A 76 51,-2.9 51,-1.5 -2,-0.5 2,-0.4 -0.713 18.1-162.8 -84.7 136.0 4.7 7.1 -8.9 69 69 A V E +BC 78 118A 7 9,-2.9 9,-2.7 -2,-0.4 2,-0.3 -0.974 10.8 176.7-126.6 125.4 7.3 4.5 -7.7 70 70 A T E -BC 77 117A 22 47,-2.4 47,-2.2 -2,-0.4 7,-0.2 -0.972 23.2-150.6-129.5 142.5 11.1 4.4 -8.5 71 71 A N E >>> -B 76 0A 0 5,-2.9 4,-3.2 -2,-0.3 3,-2.1 -0.793 9.0-169.5-108.9 84.4 14.1 2.2 -7.4 72 72 A P T 345S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 0.832 83.4 64.6 -45.6 -42.5 17.3 4.5 -7.5 73 73 A A T 345S+ 0 0 87 42,-0.4 43,-0.1 1,-0.2 -2,-0.0 0.807 124.0 10.2 -51.6 -39.6 19.5 1.4 -7.0 74 74 A T T <45S- 0 0 77 -3,-2.1 -1,-0.2 2,-0.2 3,-0.1 0.659 97.6-117.1-115.8 -26.1 18.5 -0.3 -10.4 75 75 A G T <5 + 0 0 44 -4,-3.2 2,-0.1 1,-0.3 -2,-0.1 0.281 61.5 150.0 103.4 -7.0 16.6 2.5 -12.2 76 76 A A E < +B 71 0A 32 -5,-0.5 -5,-2.9 26,-0.1 2,-0.3 -0.379 17.8 167.4 -62.6 127.1 13.3 0.5 -12.2 77 77 A Q E +B 70 0A 127 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.999 11.2 170.8-147.7 142.5 10.2 2.8 -12.1 78 78 A I E -B 69 0A 52 -9,-2.7 -9,-2.9 -2,-0.3 2,-0.6 -0.938 33.5-111.8-143.4 166.4 6.5 2.5 -12.6 79 79 A T E -B 68 0A 41 -2,-0.3 -32,-0.4 -11,-0.2 -11,-0.2 -0.905 35.2-160.0-102.5 117.5 3.1 4.5 -12.2 80 80 A A E -B 67 0A 0 -13,-3.0 -13,-2.0 -2,-0.6 2,-0.6 -0.606 13.7-131.9 -99.4 162.5 0.8 3.1 -9.5 81 81 A R E -B 66 0A 21 -15,-0.3 -32,-1.6 -2,-0.2 2,-0.6 -0.885 16.1-140.2-115.4 98.5 -3.0 3.6 -9.0 82 82 A I E +e 49 0C 6 -17,-1.2 -18,-0.7 -2,-0.6 -17,-0.2 -0.415 40.9 151.4 -58.3 104.2 -4.0 4.6 -5.4 83 83 A V E + 0 0 8 -34,-2.2 -52,-0.5 -2,-0.6 2,-0.3 0.796 59.5 10.1-105.2 -47.1 -7.3 2.5 -4.9 84 84 A D E -e 50 0C 27 -35,-0.9 -33,-2.7 -54,-0.1 2,-0.4 -0.830 59.5-135.6-132.2 169.4 -7.4 1.9 -1.2 85 85 A Q E -e 51 0C 71 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.984 18.8-163.8-128.9 123.9 -5.8 2.9 2.1 86 86 A b - 0 0 31 -35,-2.6 -33,-0.4 -2,-0.4 3,-0.2 -0.751 15.9-150.3-108.9 155.4 -4.8 0.5 4.9 87 87 A A S S+ 0 0 109 -2,-0.3 -35,-0.1 1,-0.1 -1,-0.1 0.041 79.5 72.9-108.8 25.1 -3.9 1.1 8.6 88 88 A N S S- 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -36,-0.1 0.428 107.5 -93.3-120.8 2.8 -1.4 -1.8 9.4 89 89 A G S S+ 0 0 50 -3,-0.2 -78,-0.1 -36,-0.1 -2,-0.1 0.930 76.0 130.9 89.5 54.6 1.9 -0.8 7.6 90 90 A G - 0 0 1 -4,-0.1 -79,-1.8 1,-0.1 -81,-0.1 0.922 49.0-141.0 -96.9 -73.0 1.8 -2.5 4.1 91 91 A L E -d 11 0B 27 -41,-0.2 -39,-1.7 -81,-0.2 2,-0.3 -0.596 67.2 -10.2 144.4 -66.6 2.6 -0.3 1.0 92 92 A D E -d 12 0B 6 -81,-1.7 -79,-2.7 -41,-0.3 2,-1.1 -0.982 53.3-119.2-154.3 162.0 0.3 -1.5 -1.7 93 93 A L S S+ 0 0 5 -81,-0.3 -81,-0.1 -2,-0.3 -79,-0.1 -0.718 76.2 118.7-114.2 77.1 -2.4 -4.2 -2.7 94 94 A D + 0 0 0 -2,-1.1 2,-1.9 -45,-0.2 -78,-0.3 0.836 26.4 159.2 -90.1 -85.7 -0.2 -5.1 -5.6 95 95 A W S S+ 0 0 111 1,-0.2 -81,-0.1 -3,-0.2 -83,-0.1 -0.286 93.6 22.3 71.2 -42.5 1.1 -8.5 -5.8 96 96 A D S S+ 0 0 86 -2,-1.9 -1,-0.2 -48,-0.2 -82,-0.1 0.410 118.0 61.2-121.7 -12.2 1.6 -8.1 -9.6 97 97 A T S S+ 0 0 11 -49,-0.3 -48,-0.1 4,-0.1 5,-0.1 0.985 111.5 1.3 -89.9 -66.2 1.8 -4.3 -10.1 98 98 A V S >> S+ 0 0 3 -50,-0.3 4,-3.3 3,-0.1 3,-2.1 0.920 133.1 32.3 -90.1 -73.9 4.6 -2.3 -8.4 99 99 A F H 3> S+ 0 0 20 1,-0.3 4,-0.6 2,-0.2 9,-0.1 0.931 117.4 56.7 -46.0 -59.3 7.0 -4.6 -6.3 100 100 A T H 34 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.435 118.9 33.7 -51.3 -7.3 6.5 -7.6 -8.8 101 101 A K H <4 S+ 0 0 132 -3,-2.1 -1,-0.2 -25,-0.0 -2,-0.2 0.655 121.6 42.7-118.1 -48.0 7.7 -5.3 -11.5 102 102 A I H < S+ 0 0 6 -4,-3.3 -2,-0.2 -26,-0.1 2,-0.2 0.092 83.8 128.7 -90.0 25.5 10.3 -3.1 -9.9 103 103 A D < - 0 0 78 -4,-0.6 -3,-0.0 -5,-0.2 -32,-0.0 -0.494 50.4-141.3 -80.0 150.2 11.8 -6.0 -7.9 104 104 A T - 0 0 20 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.168 52.4 -48.0 -89.5-148.6 15.6 -6.2 -8.3 105 105 A N S S- 0 0 135 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.061 106.3 -66.9 -80.1 34.2 17.8 -9.4 -8.7 106 106 A G S > S+ 0 0 25 -2,-0.6 4,-3.1 3,-0.0 5,-0.3 0.101 106.7 122.9 103.4 -19.3 15.9 -10.8 -5.7 107 107 A I H > S+ 0 0 59 1,-0.3 4,-2.3 2,-0.2 5,-0.4 0.897 77.1 49.1 -32.9 -64.8 17.3 -8.3 -3.1 108 108 A G H >>S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.6 0.907 115.5 42.7 -44.4 -52.7 13.7 -7.3 -2.3 109 109 A Y H 45S+ 0 0 179 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.887 112.4 54.2 -65.4 -38.6 12.7 -10.9 -1.8 110 110 A Q H <5S+ 0 0 159 -4,-3.1 -1,-0.2 1,-0.1 -2,-0.2 0.775 123.9 25.9 -66.1 -29.2 15.9 -11.7 0.1 111 111 A Q H <5S- 0 0 109 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.788 93.1-129.0-106.6 -36.8 15.2 -8.9 2.6 112 112 A G T <5S+ 0 0 23 -4,-3.4 -102,-1.3 -5,-0.4 2,-0.3 0.530 86.1 53.9 95.0 9.7 11.4 -8.3 2.7 113 113 A H E < -A 9 0A 85 -5,-0.6 -1,-0.3 -6,-0.2 2,-0.3 -0.977 59.5-171.9-162.5 167.3 12.1 -4.6 2.1 114 114 A L E -A 8 0A 17 -106,-2.9 -106,-2.2 -2,-0.3 2,-0.6 -0.947 31.3-102.2-157.1 173.8 13.8 -2.0 -0.2 115 115 A N E +A 7 0A 70 -2,-0.3 -42,-0.4 -108,-0.2 2,-0.3 -0.925 51.1 156.0-112.4 116.2 14.7 1.7 -0.6 116 116 A V E -A 6 0A 9 -110,-1.9 -110,-2.5 -2,-0.6 2,-0.4 -0.791 37.7-130.9-132.8 175.9 12.5 3.6 -3.0 117 117 A N E - 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