==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-00 1FH7 . COMPND 2 MOLECULE: BETA-1,4-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR V.NOTENBOOM,S.J.WILLIAMS,R.HOOS,S.G.WITHERS,D.R.ROSE . 312 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 3 0 1 1 0 2 1 0 1 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 4 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 1 A A 0 0 80 0, 0.0 3,-0.1 0, 0.0 308,-0.0 0.000 360.0 360.0 360.0 152.1 42.3 49.6 46.2 2 2 A T + 0 0 111 1,-0.1 2,-0.3 307,-0.0 307,-0.0 0.595 360.0 35.6-106.2 -20.5 39.2 47.7 47.4 3 3 A T S > S- 0 0 30 1,-0.1 4,-2.0 306,-0.1 33,-0.1 -0.903 77.6-121.2-131.5 161.2 36.7 50.6 47.1 4 4 A L H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.765 114.5 61.7 -71.4 -24.0 36.2 53.5 44.7 5 5 A K H > S+ 0 0 48 30,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.907 106.6 43.4 -65.2 -44.4 36.6 55.7 47.8 6 6 A E H > S+ 0 0 93 29,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.901 113.2 52.7 -68.0 -41.9 40.1 54.4 48.3 7 7 A A H X S+ 0 0 10 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.949 114.8 40.6 -58.5 -51.8 40.9 54.7 44.6 8 8 A A H <>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 3,-0.5 0.921 113.1 54.3 -64.5 -45.2 39.8 58.3 44.5 9 9 A D H ><5S+ 0 0 82 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.936 108.9 50.0 -54.0 -46.5 41.4 59.2 47.8 10 10 A G H 3<5S+ 0 0 71 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 108.3 51.9 -63.3 -28.8 44.6 57.8 46.5 11 11 A A T 3<5S- 0 0 20 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.392 113.8-117.0 -88.3 1.7 44.4 59.9 43.3 12 12 A G T < 5S+ 0 0 70 -3,-1.5 2,-0.3 -4,-0.5 -3,-0.2 0.824 78.9 108.6 66.7 31.7 43.8 63.0 45.3 13 13 A R < - 0 0 40 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.3 -0.829 68.4-103.9-134.7 171.9 40.4 63.5 43.9 14 14 A D E -a 269 0A 25 254,-2.3 256,-2.3 -2,-0.3 2,-0.4 -0.770 20.0-175.3-101.5 142.8 36.7 63.2 44.7 15 15 A F E +a 270 0A 0 -2,-0.3 23,-2.1 254,-0.2 24,-0.8 -0.919 27.1 167.4-132.7 103.5 34.3 60.5 43.7 16 16 A G E -ab 271 39A 0 254,-1.7 256,-2.6 -2,-0.4 2,-0.3 -0.571 24.4-146.2-116.0 179.2 30.8 61.4 44.9 17 17 A F E -ab 272 40A 0 22,-1.4 24,-2.2 254,-0.2 2,-0.6 -0.968 26.3-109.2-142.0 157.0 27.2 60.4 44.5 18 18 A A E - b 0 41A 1 254,-1.1 2,-0.3 -2,-0.3 24,-0.2 -0.801 42.3-148.4 -89.0 119.6 23.8 62.2 44.5 19 19 A L E - b 0 42A 0 22,-3.3 24,-2.2 -2,-0.6 25,-0.5 -0.688 21.8-161.7 -97.9 142.2 22.0 61.3 47.7 20 20 A D > - 0 0 38 -2,-0.3 3,-2.0 22,-0.2 4,-0.4 -0.973 19.9-150.8-112.8 105.8 18.3 60.9 48.4 21 21 A P G > S+ 0 0 20 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.794 90.6 66.0 -51.5 -30.4 18.3 61.2 52.2 22 22 A N G > S+ 0 0 123 1,-0.3 3,-0.9 2,-0.1 -3,-0.0 0.790 94.1 60.6 -62.4 -27.1 15.2 59.0 52.5 23 23 A R G X S+ 0 0 82 -3,-2.0 3,-2.4 1,-0.2 7,-0.4 0.574 76.7 86.9 -78.7 -9.5 17.2 56.1 51.2 24 24 A L G < S+ 0 0 13 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.735 83.2 62.5 -62.1 -18.1 19.8 56.2 54.1 25 25 A S G < S+ 0 0 114 -3,-0.9 2,-0.8 -4,-0.2 -1,-0.3 0.436 83.0 89.7 -84.5 -1.5 17.3 53.9 55.9 26 26 A E S <> S- 0 0 39 -3,-2.4 4,-2.4 1,-0.2 3,-0.5 -0.882 76.2-145.5 -98.3 108.2 17.8 51.2 53.2 27 27 A A H > S+ 0 0 82 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.824 93.2 44.7 -41.7 -54.5 20.7 49.1 54.5 28 28 A Q H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.877 113.5 52.1 -64.1 -37.2 22.3 48.2 51.2 29 29 A Y H > S+ 0 0 8 -3,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.954 112.1 45.1 -62.6 -51.5 22.0 51.8 49.9 30 30 A K H X S+ 0 0 81 -4,-2.4 4,-3.1 -7,-0.4 5,-0.2 0.880 109.7 56.3 -60.7 -39.5 23.7 53.2 53.1 31 31 A A H X S+ 0 0 43 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.929 112.2 40.5 -59.8 -47.2 26.4 50.5 53.0 32 32 A I H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.917 115.0 52.6 -68.5 -43.2 27.5 51.5 49.4 33 33 A A H X S+ 0 0 0 -4,-2.7 4,-0.8 -5,-0.2 -2,-0.2 0.944 112.6 45.5 -57.1 -48.0 27.1 55.2 50.2 34 34 A D H < S+ 0 0 49 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.863 122.8 31.9 -64.5 -39.3 29.3 54.9 53.3 35 35 A S H < S+ 0 0 53 -4,-2.0 -30,-0.5 -5,-0.2 -29,-0.3 0.695 117.0 46.3 -98.2 -17.9 32.1 52.8 51.7 36 36 A E H < S+ 0 0 14 -4,-2.5 2,-0.3 -5,-0.2 -3,-0.1 0.491 103.2 54.7-105.9 -3.5 32.4 53.7 48.1 37 37 A F < - 0 0 0 -4,-0.8 -21,-0.2 -5,-0.3 -32,-0.1 -0.918 42.8-169.8-132.1 158.0 32.4 57.5 48.0 38 38 A N S S+ 0 0 13 -23,-2.1 38,-2.4 -2,-0.3 2,-0.3 0.203 79.3 48.4-125.5 11.4 34.2 60.5 49.6 39 39 A L E -bc 16 76A 0 -24,-0.8 -22,-1.4 36,-0.3 2,-0.4 -0.993 61.9-165.3-150.4 146.4 31.8 63.2 48.4 40 40 A V E -bc 17 77A 0 36,-2.4 38,-2.6 -2,-0.3 2,-0.3 -0.991 4.9-174.4-138.6 145.5 28.1 63.7 48.4 41 41 A V E -bc 18 78A 2 -24,-2.2 -22,-3.3 -2,-0.4 2,-0.5 -0.963 34.3-110.2-132.5 148.9 25.6 66.0 46.7 42 42 A A E -b 19 0A 0 36,-0.7 4,-0.2 -2,-0.3 -22,-0.2 -0.713 19.0-155.6 -82.2 123.7 21.9 66.3 47.3 43 43 A E S S- 0 0 27 -24,-2.2 -1,-0.2 -2,-0.5 -23,-0.1 0.869 86.9 -19.0 -65.6 -33.9 20.0 65.0 44.3 44 44 A N S > S+ 0 0 65 -25,-0.5 3,-1.7 -3,-0.1 6,-0.3 0.520 112.4 92.9-145.4 -24.4 17.0 67.2 45.2 45 45 A A T 3 S+ 0 0 7 -26,-0.4 18,-0.5 1,-0.3 19,-0.1 0.619 92.0 43.7 -58.8 -20.0 17.1 68.3 48.9 46 46 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 2,-0.1 0.254 87.1 112.9-108.5 8.4 18.8 71.6 48.3 47 47 A K S <> S- 0 0 12 -3,-1.7 4,-1.8 1,-0.1 3,-0.4 -0.322 82.3-102.6 -75.8 167.5 16.9 72.8 45.2 48 48 A W H > S+ 0 0 9 33,-0.2 4,-2.9 38,-0.2 40,-0.2 0.893 119.3 53.2 -58.5 -45.2 14.6 75.8 45.3 49 49 A D H 4 S+ 0 0 64 38,-1.4 -1,-0.2 1,-0.2 39,-0.1 0.828 114.7 42.8 -63.0 -29.5 11.3 73.8 45.5 50 50 A A H 4 S+ 0 0 32 -3,-0.4 -1,-0.2 -6,-0.3 12,-0.2 0.739 121.7 38.0 -86.8 -25.4 12.7 71.9 48.5 51 51 A T H < S+ 0 0 0 -4,-1.8 8,-2.1 1,-0.2 -2,-0.2 0.743 128.6 24.1 -99.4 -28.4 14.2 74.8 50.4 52 52 A E < + 0 0 0 -4,-2.9 6,-0.2 6,-0.2 -1,-0.2 -0.512 62.5 162.1-138.1 69.1 11.7 77.7 49.8 53 53 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.775 78.5 24.4 -57.5 -31.0 8.3 76.1 49.1 54 54 A S B > S-I 57 0B 68 3,-1.0 3,-2.5 -3,-0.1 0, 0.0 -0.981 109.3 -82.8-133.7 144.8 6.6 79.4 49.8 55 55 A Q T 3 S+ 0 0 78 -2,-0.3 3,-0.1 1,-0.3 48,-0.0 -0.225 114.2 1.5 -53.5 129.4 8.3 82.8 49.6 56 56 A N T 3 S+ 0 0 108 1,-0.1 2,-0.6 47,-0.1 -1,-0.3 0.542 107.3 108.4 69.9 9.3 10.3 83.6 52.7 57 57 A S B < -I 54 0B 65 -3,-2.5 -3,-1.0 2,-0.0 2,-0.2 -0.882 53.6-167.5-118.9 97.3 9.4 80.3 54.2 58 58 A F - 0 0 53 -2,-0.6 2,-0.4 -6,-0.2 -6,-0.2 -0.586 13.2-165.3 -90.2 149.1 12.4 78.0 54.2 59 59 A S + 0 0 61 -8,-2.1 4,-0.3 -2,-0.2 3,-0.2 -0.905 17.8 162.2-132.6 101.2 12.5 74.3 54.8 60 60 A F > + 0 0 32 -2,-0.4 4,-3.2 1,-0.1 5,-0.3 0.379 43.2 104.1-103.6 3.3 16.0 72.9 55.5 61 61 A G H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.922 88.4 39.4 -49.2 -53.0 15.2 69.5 57.1 62 62 A A H > S+ 0 0 45 -12,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.917 117.6 47.5 -66.3 -45.4 16.0 67.5 54.0 63 63 A G H > S+ 0 0 0 -18,-0.5 4,-2.5 -4,-0.3 -1,-0.2 0.882 110.9 53.7 -63.7 -37.3 19.0 69.5 53.0 64 64 A D H X S+ 0 0 58 -4,-3.2 4,-3.1 1,-0.2 -1,-0.2 0.886 103.7 56.2 -62.9 -39.4 20.2 69.3 56.6 65 65 A R H X S+ 0 0 109 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.906 109.5 45.4 -59.4 -42.8 20.0 65.6 56.5 66 66 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.925 113.6 49.5 -66.3 -45.6 22.3 65.4 53.5 67 67 A A H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.916 111.2 49.5 -60.4 -43.9 24.7 67.9 55.1 68 68 A S H X S+ 0 0 53 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.862 106.7 55.4 -63.5 -38.7 24.8 65.9 58.3 69 69 A Y H X S+ 0 0 5 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.932 108.7 48.4 -60.7 -45.1 25.4 62.7 56.5 70 70 A A H X>S+ 0 0 2 -4,-2.0 5,-3.0 2,-0.2 4,-0.6 0.942 115.4 43.1 -59.8 -50.1 28.5 64.2 54.8 71 71 A A H ><5S+ 0 0 80 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.898 113.6 52.8 -63.8 -40.9 29.9 65.6 58.1 72 72 A D H 3<5S+ 0 0 128 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.787 116.7 36.6 -67.0 -29.7 29.1 62.4 59.9 73 73 A T H 3<5S- 0 0 44 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.323 113.0-109.5-106.4 6.6 30.9 60.1 57.5 74 74 A G T <<5 + 0 0 64 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.868 68.4 143.3 70.6 37.1 33.8 62.4 56.7 75 75 A K < - 0 0 14 -5,-3.0 -36,-0.3 -6,-0.2 -1,-0.2 -0.832 54.7-108.6-111.7 150.8 32.7 63.2 53.1 76 76 A E E -c 39 0A 54 -38,-2.4 -36,-2.4 -2,-0.3 2,-0.5 -0.393 33.8-134.8 -68.9 152.2 33.0 66.4 51.2 77 77 A L E -c 40 0A 7 41,-0.4 43,-2.4 -38,-0.2 44,-0.8 -0.961 16.7-167.2-117.9 124.2 29.7 68.2 50.6 78 78 A Y E -cd 41 121A 2 -38,-2.6 -36,-0.7 -2,-0.5 2,-0.5 -0.904 16.7-137.3-108.8 134.7 28.7 69.7 47.2 79 79 A G E - d 0 122A 0 42,-3.8 44,-2.1 -2,-0.4 2,-0.4 -0.787 13.6-148.8 -95.4 136.9 25.7 72.1 47.0 80 80 A H E - d 0 123A 2 -2,-0.5 -34,-0.5 1,-0.2 44,-0.1 -0.956 53.5 -19.8-146.8 115.4 23.2 71.8 44.2 81 81 A T E + 0 0 2 42,-0.6 -33,-0.2 -2,-0.4 -1,-0.2 0.682 33.7 170.8-154.4 153.4 21.8 74.3 43.2 82 82 A L E S+ 0 0 1 41,-1.9 2,-0.5 1,-0.3 43,-0.2 0.928 88.4 29.2 -90.5 -38.9 20.8 77.9 44.0 83 83 A V E S+ d 0 125A 1 41,-1.8 43,-2.2 40,-0.4 2,-0.3 -0.967 71.3 142.1-127.3 115.5 19.5 79.2 40.8 84 84 A W E - d 0 126A 31 -2,-0.5 43,-0.1 41,-0.2 -36,-0.1 -0.986 47.1-137.0-151.7 140.2 17.9 76.9 38.2 85 85 A H S S+ 0 0 28 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.685 87.5 71.9 -72.5 -18.7 14.9 77.3 35.9 86 86 A S S S+ 0 0 44 1,-0.2 -38,-0.2 53,-0.1 -2,-0.1 -0.671 97.9 20.6 -98.7 154.9 13.6 73.9 36.7 87 87 A Q S S+ 0 0 62 -2,-0.2 -38,-1.4 1,-0.2 -1,-0.2 0.900 85.9 147.3 54.2 41.0 12.0 72.8 40.0 88 88 A L - 0 0 8 -3,-0.4 -1,-0.2 -40,-0.2 5,-0.1 -0.944 51.5-115.7-107.4 116.9 11.3 76.5 40.6 89 89 A P >> - 0 0 20 0, 0.0 4,-1.4 0, 0.0 3,-1.3 -0.152 17.1-118.1 -56.6 147.1 8.0 77.0 42.6 90 90 A D H 3> S+ 0 0 114 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.829 110.9 65.6 -53.8 -36.7 5.1 78.7 41.0 91 91 A W H 34 S+ 0 0 40 -38,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.866 105.0 45.8 -56.7 -34.4 5.1 81.5 43.6 92 92 A A H X4 S+ 0 0 0 -3,-1.3 3,-1.3 1,-0.2 -1,-0.2 0.871 110.0 52.8 -74.6 -38.4 8.5 82.5 42.2 93 93 A K H 3< S+ 0 0 92 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.738 102.1 61.5 -68.9 -22.0 7.4 82.3 38.6 94 94 A N T 3< S+ 0 0 120 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.2 0.545 92.1 84.2 -81.0 -8.9 4.5 84.6 39.5 95 95 A L < - 0 0 35 -3,-1.3 2,-0.3 -4,-0.2 -3,-0.0 -0.575 59.2-173.4 -93.0 159.2 6.9 87.4 40.4 96 96 A N >> - 0 0 101 -2,-0.2 4,-1.1 49,-0.0 3,-1.1 -0.952 41.8 -9.3-147.1 165.3 8.5 89.9 38.0 97 97 A G H 3> S- 0 0 40 -2,-0.3 4,-2.7 47,-0.2 3,-0.4 -0.084 125.7 -3.3 48.6-137.6 11.0 92.7 37.8 98 98 A S H 3> S+ 0 0 88 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.850 135.2 56.3 -53.1 -40.2 12.4 93.9 41.1 99 99 A A H <> S+ 0 0 51 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.909 111.4 42.7 -60.8 -43.6 10.2 91.6 43.1 100 100 A F H X S+ 0 0 1 -4,-1.1 4,-2.3 -3,-0.4 -2,-0.2 0.927 114.1 50.2 -69.3 -46.0 11.5 88.6 41.3 101 101 A E H X S+ 0 0 76 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.907 109.5 51.6 -60.2 -41.0 15.1 89.7 41.4 102 102 A S H X S+ 0 0 65 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.856 109.2 50.9 -64.0 -35.4 14.8 90.3 45.2 103 103 A A H X S+ 0 0 2 -4,-1.4 4,-2.5 -5,-0.2 -1,-0.2 0.899 110.9 48.3 -69.2 -40.2 13.4 86.8 45.7 104 104 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.960 113.2 47.1 -63.7 -51.3 16.2 85.3 43.7 105 105 A V H X S+ 0 0 45 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.897 114.4 47.0 -57.8 -42.7 18.9 87.2 45.7 106 106 A N H X S+ 0 0 36 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.902 109.9 53.0 -68.8 -38.5 17.2 86.4 49.0 107 107 A H H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.953 112.0 46.2 -60.7 -47.4 16.9 82.7 48.1 108 108 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.950 115.4 45.8 -58.9 -50.6 20.6 82.7 47.3 109 109 A T H X S+ 0 0 49 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.916 114.9 46.1 -60.4 -47.0 21.6 84.5 50.4 110 110 A K H X S+ 0 0 97 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.922 117.8 41.2 -64.0 -47.3 19.4 82.4 52.8 111 111 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.936 116.7 47.4 -69.0 -46.4 20.4 79.1 51.4 112 112 A A H < S+ 0 0 0 -4,-2.7 4,-0.4 -5,-0.3 -2,-0.2 0.906 115.2 47.2 -62.0 -40.3 24.1 79.8 51.0 113 113 A D H >< S+ 0 0 80 -4,-2.2 3,-1.1 -5,-0.3 -1,-0.2 0.918 107.0 56.6 -68.5 -41.0 24.2 81.3 54.5 114 114 A H H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.901 116.8 34.6 -56.7 -42.1 22.3 78.3 56.0 115 115 A F T >X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.1 3,-2.4 0.300 85.5 141.1 -97.2 9.6 24.9 75.9 54.7 116 116 A E T <4 S+ 0 0 76 -3,-1.1 4,-0.1 -4,-0.4 -3,-0.1 -0.253 73.5 15.3 -55.0 130.7 27.9 78.1 55.1 117 117 A G T 34 S+ 0 0 71 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.316 125.4 60.8 86.5 -9.8 30.9 76.2 56.3 118 118 A K T <4 S+ 0 0 123 -3,-2.4 2,-0.5 1,-0.2 -41,-0.4 0.738 91.4 61.3-111.0 -54.8 29.4 72.9 55.5 119 119 A V < - 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