==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-OCT-08 3EZN . COMPND 2 MOLECULE: 2,3-BISPHOSPHOGLYCERATE-DEPENDENT PHOSPHOGLYCERAT . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI 1710B; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 467 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 7.5 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 . 2 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 . 1 0.2 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 . 16 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.0 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 4 1 2 0 2 2 0 2 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 4 0 0 0 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 ANTIPARALLEL 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 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 M 0 0 133 0, 0.0 2,-0.3 0, 0.0 216,-0.2 0.000 360.0 360.0 360.0 141.6 21.7 -41.6 19.5 2 2 A Y E -A 216 0A 55 214,-3.0 214,-3.1 2,-0.0 2,-0.4 -0.937 360.0-142.1-123.0 153.1 20.7 -39.2 22.3 3 3 A K E -A 215 0A 80 -2,-0.3 174,-0.6 212,-0.2 2,-0.4 -0.966 13.8-174.6-113.0 137.6 17.5 -38.9 24.2 4 4 A L E -Ab 214 177A 0 210,-2.8 210,-3.0 -2,-0.4 2,-0.4 -0.995 10.8-155.5-123.4 131.1 16.1 -35.6 25.3 5 5 A V E -Ab 213 178A 2 172,-1.9 174,-2.4 -2,-0.4 2,-0.4 -0.930 9.3-171.9-114.0 133.5 13.0 -35.5 27.5 6 6 A L E -Ab 212 179A 0 206,-2.7 206,-3.0 -2,-0.4 2,-0.4 -0.923 2.0-174.4-117.8 150.7 10.7 -32.5 27.6 7 7 A I E - b 0 180A 2 172,-2.4 174,-2.2 -2,-0.4 2,-0.3 -0.973 16.8-144.1-149.2 132.2 7.8 -31.9 30.0 8 8 A R E -cb 208 181A 46 199,-0.5 201,-2.7 202,-0.4 174,-0.2 -0.716 37.3-103.4 -87.5 138.7 5.2 -29.2 30.1 9 9 A H - 0 0 4 172,-2.1 3,-0.1 -2,-0.3 52,-0.1 -0.170 37.2-113.8 -59.8 156.2 4.1 -28.2 33.6 10 10 A G - 0 0 0 50,-0.3 22,-0.2 22,-0.3 -1,-0.1 -0.036 60.0 -35.5 -81.6-169.7 0.8 -29.3 35.0 11 11 A E - 0 0 32 20,-0.1 18,-2.3 17,-0.1 21,-0.4 -0.197 58.6-157.1 -62.0 129.6 -2.2 -27.3 35.8 12 12 A S B > -G 28 0B 0 16,-0.3 4,-2.7 -3,-0.1 16,-0.3 -0.594 32.0-107.3 -94.7 160.3 -1.6 -23.8 37.2 13 13 A T H > S+ 0 0 47 14,-2.5 4,-2.4 1,-0.2 5,-0.1 0.927 123.5 47.9 -51.4 -47.3 -4.0 -21.8 39.3 14 14 A W H 4>S+ 0 0 36 13,-0.3 5,-2.8 2,-0.2 -1,-0.2 0.779 105.9 55.6 -72.4 -27.5 -4.6 -19.5 36.3 15 15 A N H >45S+ 0 0 59 3,-0.2 3,-2.2 2,-0.2 -1,-0.2 0.949 109.7 49.7 -56.7 -49.3 -5.1 -22.5 33.9 16 16 A K H 3<5S+ 0 0 147 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.1 0.957 113.5 43.9 -56.0 -52.1 -7.8 -23.5 36.5 17 17 A E T 3<5S- 0 0 95 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.285 110.8-122.3 -74.3 8.3 -9.3 -20.0 36.4 18 18 A N T < 5 + 0 0 71 -3,-2.2 80,-3.3 1,-0.2 2,-0.4 0.835 62.5 145.9 51.8 37.7 -9.0 -19.8 32.5 19 19 A R B < -H 97 0C 76 -5,-2.8 78,-0.2 78,-0.3 -1,-0.2 -0.898 57.3-111.0-106.0 132.6 -6.8 -16.6 32.8 20 20 A F - 0 0 0 76,-2.2 75,-4.0 -2,-0.4 76,-0.1 -0.405 40.2-179.2 -55.2 136.3 -4.0 -15.9 30.3 21 21 A T > + 0 0 11 73,-0.2 3,-1.7 74,-0.1 2,-0.2 0.874 16.2 152.1-111.5 -62.3 -0.8 -16.3 32.2 22 22 A G T 3 S- 0 0 1 1,-0.3 65,-0.3 67,-0.1 67,-0.2 -0.400 82.4 -6.8 63.2-125.1 2.4 -15.6 30.3 23 23 A W T 3 S+ 0 0 19 -2,-0.2 -1,-0.3 63,-0.1 2,-0.1 0.569 99.2 119.2 -86.3 -5.2 5.3 -14.4 32.6 24 24 A V < - 0 0 41 -3,-1.7 2,-1.9 1,-0.1 71,-0.1 -0.379 69.8-128.3 -62.6 129.4 3.0 -14.0 35.7 25 25 A D + 0 0 37 -2,-0.1 -1,-0.1 34,-0.1 2,-0.1 -0.354 45.3 160.1 -87.6 61.6 4.5 -16.3 38.2 26 26 A V - 0 0 16 -2,-1.9 34,-0.5 1,-0.1 2,-0.1 -0.394 30.7-125.1 -82.9 161.6 1.5 -18.3 39.3 27 27 A D - 0 0 42 1,-0.1 -14,-2.5 32,-0.1 -13,-0.3 -0.360 24.9 -87.5-101.3 172.8 1.8 -21.7 41.0 28 28 A L B -G 12 0B 12 -16,-0.3 -16,-0.3 31,-0.2 -1,-0.1 -0.458 34.5-129.7 -71.3 155.2 0.6 -25.2 40.4 29 29 A T > - 0 0 14 -18,-2.3 4,-2.9 -2,-0.1 5,-0.1 -0.417 38.5 -94.9 -87.9 174.5 -2.8 -26.5 41.7 30 30 A E H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 132.2 53.0 -54.2 -45.8 -3.0 -29.8 43.6 31 31 A Q H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 106.9 49.6 -56.4 -46.3 -3.9 -31.2 40.3 32 32 A G H > S+ 0 0 0 -21,-0.4 4,-2.1 1,-0.2 -22,-0.3 0.913 115.0 46.5 -61.3 -43.7 -0.7 -29.7 38.7 33 33 A N H X S+ 0 0 19 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.933 110.0 51.8 -53.3 -48.3 1.3 -31.1 41.6 34 34 A R H X S+ 0 0 124 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.871 109.8 48.0 -63.9 -52.2 -0.4 -34.2 41.3 35 35 A E H X S+ 0 0 46 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.920 110.2 54.4 -60.5 -42.4 0.5 -34.4 37.3 36 36 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.937 107.2 49.7 -59.2 -46.3 4.1 -33.5 38.0 37 37 A R H X S+ 0 0 79 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.910 110.6 50.2 -64.6 -39.5 4.4 -36.4 40.5 38 38 A Q H X S+ 0 0 53 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.874 107.0 52.8 -69.5 -40.6 2.9 -38.9 37.9 39 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.910 110.9 49.7 -55.6 -43.4 5.3 -37.8 35.1 40 40 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.890 110.3 48.7 -60.4 -42.7 8.2 -38.5 37.6 41 41 A Q H X S+ 0 0 31 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.904 110.8 51.8 -72.2 -38.1 6.8 -41.9 38.5 42 42 A L H X S+ 0 0 50 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.939 111.3 45.8 -58.6 -53.7 6.5 -42.7 34.8 43 43 A L H <>S+ 0 0 0 -4,-2.5 5,-2.1 2,-0.2 4,-0.3 0.934 115.4 48.0 -54.3 -46.1 10.1 -41.7 34.0 44 44 A K H ><5S+ 0 0 109 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.955 111.6 49.1 -62.0 -49.3 11.3 -43.7 37.1 45 45 A E H 3<5S+ 0 0 172 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.897 110.0 50.9 -62.1 -39.4 9.3 -46.7 36.2 46 46 A A T 3<5S- 0 0 60 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.436 117.8-114.7 -72.1 -5.6 10.6 -46.6 32.6 47 47 A G T < 5 + 0 0 59 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.627 60.7 153.9 78.1 14.3 14.2 -46.4 34.0 48 48 A Y < - 0 0 34 -5,-2.1 2,-0.3 -6,-0.2 -1,-0.2 -0.455 17.2-179.5 -64.9 143.6 15.0 -42.9 32.7 49 49 A T - 0 0 71 -2,-0.1 2,-0.3 128,-0.0 25,-0.0 -0.938 11.9-147.2-135.8 168.1 17.6 -40.9 34.5 50 50 A F - 0 0 12 -2,-0.3 127,-0.2 1,-0.1 3,-0.1 -0.963 17.3-165.0-137.3 147.1 19.0 -37.4 34.0 51 51 A D S S+ 0 0 70 125,-2.7 2,-0.3 -2,-0.3 126,-0.2 0.631 82.8 6.0 -98.3 -23.6 22.4 -35.8 34.6 52 52 A I E -d 177 0A 14 124,-1.7 126,-1.8 25,-0.2 2,-0.4 -0.988 62.9-149.7-156.3 151.7 21.0 -32.2 34.3 53 53 A A E -de 178 79A 2 25,-2.2 27,-2.9 -2,-0.3 2,-0.4 -0.967 3.1-153.5-126.2 153.9 17.8 -30.3 33.9 54 54 A Y E +de 179 80A 4 124,-2.6 126,-2.9 -2,-0.4 2,-0.3 -0.959 25.0 157.0-118.4 136.1 16.7 -27.0 32.3 55 55 A T E -de 180 81A 0 25,-2.9 27,-3.2 -2,-0.4 30,-0.3 -0.897 36.9-101.8-144.2 178.9 13.8 -25.0 33.4 56 56 A S - 0 0 0 124,-0.6 27,-0.2 -2,-0.3 -1,-0.1 -0.124 37.5-106.6 -85.7-171.5 12.3 -21.4 33.4 57 57 A V S S+ 0 0 8 25,-0.2 2,-0.5 24,-0.2 257,-0.2 0.242 90.4 104.6 -96.0 7.8 12.4 -18.9 36.3 58 58 A L S >> S- 0 0 0 1,-0.1 4,-2.1 255,-0.1 3,-1.2 -0.791 70.7-139.9 -99.7 127.7 8.7 -19.5 36.7 59 59 A K H 3> S+ 0 0 30 -2,-0.5 4,-3.0 1,-0.3 5,-0.3 0.685 96.5 65.5 -67.4 -22.0 7.7 -21.7 39.7 60 60 A R H 3> S+ 0 0 3 -34,-0.5 4,-1.0 2,-0.2 -50,-0.3 0.899 112.3 36.5 -63.5 -36.9 5.0 -23.6 38.0 61 61 A A H <> S+ 0 0 0 -3,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.906 119.1 49.1 -74.6 -48.5 7.7 -25.2 35.8 62 62 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.919 111.4 49.0 -60.8 -45.1 10.3 -25.3 38.5 63 63 A R H X S+ 0 0 29 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.886 108.6 54.6 -59.7 -39.3 7.9 -27.0 41.0 64 64 A T H X S+ 0 0 0 -4,-1.0 4,-2.2 -5,-0.3 -2,-0.2 0.956 110.2 46.6 -59.0 -48.9 7.0 -29.5 38.2 65 65 A L H X S+ 0 0 1 -4,-2.6 4,-3.7 1,-0.2 5,-0.3 0.926 108.7 55.4 -55.1 -48.3 10.7 -30.3 37.9 66 66 A W H X S+ 0 0 22 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.919 108.0 48.1 -53.2 -48.6 11.0 -30.6 41.7 67 67 A H H X S+ 0 0 28 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.918 113.0 48.5 -59.0 -45.0 8.2 -33.2 41.8 68 68 A V H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.956 113.1 47.4 -60.0 -48.2 9.9 -35.1 38.9 69 69 A Q H X>S+ 0 0 7 -4,-3.7 5,-3.5 2,-0.2 4,-0.7 0.914 113.0 49.1 -58.7 -42.3 13.3 -34.9 40.7 70 70 A D H ><5S+ 0 0 41 -4,-2.7 3,-0.9 -5,-0.3 -2,-0.2 0.950 112.6 45.9 -65.1 -48.6 11.8 -36.1 44.0 71 71 A Q H 3<5S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.801 118.4 43.6 -65.2 -30.3 9.9 -39.0 42.5 72 72 A M H 3<5S- 0 0 4 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.453 109.4-119.7 -91.1 -6.6 13.1 -40.0 40.5 73 73 A D T <<5S+ 0 0 49 -3,-0.9 -3,-0.2 -4,-0.7 3,-0.1 0.917 78.0 124.6 61.9 45.8 15.5 -39.5 43.4 74 74 A L > < + 0 0 10 -5,-3.5 3,-1.1 -6,-0.2 -4,-0.2 -0.204 16.2 127.2-124.0 40.4 17.3 -36.9 41.3 75 75 A M T 3 + 0 0 1 -6,-0.4 -1,-0.1 1,-0.2 -5,-0.1 0.658 69.3 58.5 -75.5 -10.7 17.2 -34.0 43.7 76 76 A Y T 3 S+ 0 0 29 219,-0.2 -1,-0.2 -3,-0.1 243,-0.2 0.418 78.3 113.8-100.8 -3.4 21.0 -33.5 43.5 77 77 A V S < S- 0 0 6 -3,-1.1 -25,-0.2 1,-0.1 -26,-0.1 -0.386 76.7 -96.3 -75.8 152.0 21.3 -32.9 39.8 78 78 A P - 0 0 71 0, 0.0 -25,-2.2 0, 0.0 2,-0.4 -0.363 40.1-160.9 -62.7 136.3 22.4 -29.5 38.4 79 79 A V E -e 53 0A 19 238,-0.5 2,-0.6 -27,-0.2 238,-0.5 -0.995 8.8-155.2-125.1 128.6 19.6 -27.4 37.3 80 80 A V E -e 54 0A 47 -27,-2.9 -25,-2.9 -2,-0.4 2,-0.6 -0.909 9.3-163.7-101.8 118.3 19.8 -24.5 34.9 81 81 A H E +e 55 0A 35 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.929 15.9 176.5 -99.8 121.3 17.0 -21.9 35.4 82 82 A S > - 0 0 15 -27,-3.2 3,-1.9 -2,-0.6 -25,-0.2 -0.987 39.8-145.7-134.2 133.6 16.7 -19.6 32.4 83 83 A W G > S+ 0 0 33 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.783 99.3 77.1 -57.8 -24.5 14.3 -16.8 31.6 84 84 A R G 3 S+ 0 0 47 1,-0.3 -1,-0.3 -29,-0.1 -28,-0.1 0.695 90.3 51.2 -62.2 -20.8 14.8 -18.0 28.1 85 85 A L G < S+ 0 0 1 -3,-1.9 97,-0.5 -30,-0.3 -1,-0.3 0.291 84.8 127.8 -95.1 4.1 12.4 -21.0 28.8 86 86 A N S < S- 0 0 0 -3,-2.0 3,-0.1 -31,-0.1 -63,-0.1 -0.230 70.8 -94.6 -54.9 149.8 9.7 -18.8 30.1 87 87 A E - 0 0 18 -65,-0.3 -1,-0.1 1,-0.1 2,-0.0 -0.159 60.3 -75.1 -50.4 154.9 6.2 -19.0 28.7 88 88 A R - 0 0 7 1,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.394 54.8-108.6 -54.1 134.5 5.4 -16.6 25.9 89 89 A H - 0 0 4 -67,-0.2 61,-2.1 62,-0.2 -67,-0.1 -0.643 28.8-163.3 -73.3 123.1 4.9 -13.1 27.3 90 90 A Y > - 0 0 24 -2,-0.5 3,-1.5 1,-0.2 4,-0.3 0.296 19.4-155.4 -93.4 6.7 1.2 -12.4 27.0 91 91 A G G > - 0 0 0 1,-0.2 3,-1.7 2,-0.2 32,-0.3 -0.157 66.6 -9.0 58.8-142.5 1.4 -8.6 27.4 92 92 A A G 3 S+ 0 0 33 30,-2.2 -1,-0.2 1,-0.3 31,-0.1 0.562 128.3 70.8 -68.9 -8.5 -1.6 -6.7 28.7 93 93 A L G X S+ 0 0 7 -3,-1.5 3,-2.8 29,-0.6 -73,-0.3 0.763 70.1 116.5 -73.1 -22.3 -3.7 -9.9 28.3 94 94 A S T < S+ 0 0 6 -3,-1.7 -73,-0.2 -4,-0.3 3,-0.1 -0.178 82.9 13.9 -51.7 123.9 -1.8 -11.4 31.2 95 95 A G T 3 S+ 0 0 12 -75,-4.0 -1,-0.3 1,-0.3 2,-0.2 0.257 96.0 124.5 93.9 -14.1 -4.3 -12.1 34.0 96 96 A L < - 0 0 72 -3,-2.8 -76,-2.2 -76,-0.1 -1,-0.3 -0.542 69.5-109.2 -77.8 144.3 -7.5 -11.6 31.9 97 97 A N B > -H 19 0C 41 -78,-0.2 4,-1.8 -2,-0.2 -78,-0.3 -0.569 24.0-142.7 -68.2 133.4 -10.2 -14.4 31.7 98 98 A K H > S+ 0 0 70 -80,-3.3 4,-2.0 -2,-0.3 -1,-0.1 0.874 97.5 51.3 -70.5 -37.0 -9.9 -15.8 28.3 99 99 A A H > S+ 0 0 59 -81,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.956 113.5 46.4 -65.7 -49.7 -13.7 -16.4 27.8 100 100 A E H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.835 109.3 54.0 -56.4 -40.2 -14.4 -12.8 28.9 101 101 A T H X S+ 0 0 6 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.887 110.2 47.1 -64.8 -40.4 -11.7 -11.5 26.6 102 102 A A H X S+ 0 0 20 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.929 110.0 53.4 -66.4 -47.4 -13.3 -13.3 23.6 103 103 A A H < S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.914 116.1 40.2 -48.2 -48.2 -16.7 -11.9 24.6 104 104 A K H < S+ 0 0 155 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.921 131.0 21.2 -73.1 -48.7 -15.2 -8.4 24.6 105 105 A Y H < S- 0 0 106 -4,-2.7 4,-0.4 -5,-0.1 -3,-0.2 0.601 108.6-112.2-103.2 -11.8 -13.0 -8.4 21.6 106 106 A G X - 0 0 26 -4,-3.0 4,-2.0 -5,-0.3 5,-0.2 0.067 26.9 -86.7 90.2 154.3 -14.4 -11.3 19.5 107 107 A D H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.901 123.4 55.9 -63.4 -42.4 -13.0 -14.7 18.6 108 108 A E H > S+ 0 0 148 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.933 108.9 45.6 -54.0 -54.0 -11.3 -13.4 15.5 109 109 A Q H > S+ 0 0 82 -4,-0.4 4,-1.8 1,-0.2 3,-0.2 0.921 114.6 47.2 -60.5 -48.8 -9.3 -10.8 17.4 110 110 A V H X S+ 0 0 6 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.845 104.8 62.0 -64.3 -33.5 -8.4 -13.2 20.1 111 111 A L H X S+ 0 0 77 -4,-2.8 4,-3.0 2,-0.2 5,-0.4 0.920 104.9 47.6 -53.4 -49.4 -7.4 -15.8 17.5 112 112 A V H X S+ 0 0 54 -4,-1.9 4,-2.1 -3,-0.2 -1,-0.2 0.935 112.0 49.7 -63.5 -42.1 -4.8 -13.4 16.2 113 113 A W H < S+ 0 0 31 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.910 120.0 37.6 -59.9 -40.0 -3.5 -12.8 19.8 114 114 A R H < S+ 0 0 104 -4,-3.1 -2,-0.2 -5,-0.1 -1,-0.2 0.873 132.4 17.8 -80.5 -34.5 -3.3 -16.4 20.5 115 115 A R H < S+ 0 0 101 -4,-3.0 2,-0.4 -5,-0.2 -3,-0.2 0.550 77.8 118.7-124.6 -16.2 -2.1 -17.9 17.3 116 116 A S < - 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