==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-03 1V6Y . COMPND 2 MOLECULE: ENDO-1,4-BETA-D-XYLANASE AND ENDO-1,4-BETA- . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEOVIRIDIS, . AUTHOR S.KANEKO,H.ICHINOSE,Z.FUJIMOTO,A.KUNO,K.YURA,M.GO,H.MIZUNO, . 316 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.8 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 0.3 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 . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 1 1 0 0 1 1 1 2 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 5 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 3 A S 0 0 144 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 6.7 32.4 35.4 16.6 2 4 A T > - 0 0 34 1,-0.1 4,-1.8 307,-0.0 5,-0.1 -0.790 360.0-118.7-121.1 166.3 31.3 38.6 15.0 3 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.922 114.4 51.9 -69.8 -44.0 29.2 41.5 16.3 4 6 A G H > S+ 0 0 3 31,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.905 110.7 48.6 -58.8 -41.9 26.5 41.1 13.7 5 7 A A H > S+ 0 0 48 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.899 110.5 50.6 -65.8 -40.6 26.2 37.4 14.6 6 8 A A H >< S+ 0 0 10 -4,-1.8 3,-0.7 1,-0.2 4,-0.4 0.932 112.3 46.7 -62.9 -45.0 26.0 38.2 18.3 7 9 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 3,-1.4 0.888 105.9 61.1 -63.3 -37.8 23.2 40.7 17.6 8 10 A A H ><5S+ 0 0 50 -4,-2.3 3,-2.3 1,-0.3 -1,-0.2 0.783 86.3 75.1 -60.4 -29.5 21.5 38.2 15.4 9 11 A Q T <<5S+ 0 0 165 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.810 104.9 36.3 -54.0 -32.4 21.1 35.8 18.4 10 12 A S T < 5S- 0 0 46 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.154 126.0 -98.0-106.7 17.4 18.3 38.0 19.7 11 13 A G T < 5S+ 0 0 62 -3,-2.3 -3,-0.2 1,-0.3 2,-0.2 0.676 89.2 119.1 76.7 15.9 16.9 38.9 16.3 12 14 A R < - 0 0 27 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.524 52.5-136.4-106.2 176.5 18.8 42.2 16.2 13 15 A Y E -a 269 0A 14 255,-0.8 257,-2.2 -2,-0.2 2,-0.4 -0.895 3.7-149.4-131.1 161.8 21.4 43.6 13.9 14 16 A F E +a 270 0A 0 -2,-0.3 23,-2.1 255,-0.2 24,-0.8 -0.976 32.2 169.9-131.5 114.9 24.7 45.5 14.3 15 17 A G E -ab 271 38A 0 255,-2.8 257,-2.8 -2,-0.4 2,-0.3 -0.628 19.5-155.3-121.6-178.6 25.4 47.8 11.4 16 18 A T E -ab 272 39A 0 22,-1.5 24,-2.1 255,-0.3 2,-0.5 -0.922 30.4 -98.9-148.1 169.1 27.7 50.5 10.2 17 19 A A E - b 0 40A 0 255,-0.8 2,-0.5 -2,-0.3 24,-0.2 -0.822 39.1-150.2 -93.6 132.8 27.8 53.4 7.8 18 20 A I E - b 0 41A 0 22,-3.4 24,-2.6 -2,-0.5 2,-0.7 -0.919 8.0-157.8-111.6 129.5 29.6 52.5 4.6 19 21 A A > - 0 0 6 -2,-0.5 3,-2.7 22,-0.2 4,-0.3 -0.914 9.8-151.5-104.1 111.7 31.5 55.0 2.5 20 22 A S G > S+ 0 0 24 -2,-0.7 3,-1.8 1,-0.3 -1,-0.1 0.834 95.2 65.8 -50.6 -35.0 31.9 53.7 -1.0 21 23 A G G 3 S+ 0 0 70 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.708 101.1 49.8 -61.8 -19.5 35.1 55.7 -1.3 22 24 A K G X S+ 0 0 59 -3,-2.7 3,-1.8 1,-0.2 7,-0.3 0.393 78.3 98.0 -99.0 0.7 36.6 53.4 1.3 23 25 A L T < S+ 0 0 40 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 0.497 79.7 60.6 -67.9 -0.1 35.6 50.2 -0.4 24 26 A G T 3 S+ 0 0 74 -3,-0.3 2,-0.9 -4,-0.1 -1,-0.3 0.605 79.1 96.6 -98.2 -17.4 39.1 50.0 -1.8 25 27 A D <> - 0 0 36 -3,-1.8 4,-3.2 1,-0.2 5,-0.3 -0.653 63.0-159.6 -76.3 106.8 40.7 50.0 1.7 26 28 A S H > S+ 0 0 86 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.890 91.8 49.1 -55.2 -44.7 41.3 46.2 2.3 27 29 A A H > S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.896 114.7 47.3 -62.4 -39.5 41.5 46.7 6.0 28 30 A Y H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.948 114.2 43.9 -66.9 -52.0 38.3 48.7 5.9 29 31 A T H X S+ 0 0 27 -4,-3.2 4,-2.6 -7,-0.3 5,-0.3 0.826 107.5 61.1 -64.9 -33.3 36.3 46.2 3.7 30 32 A T H X S+ 0 0 74 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.950 111.4 37.9 -58.5 -50.9 37.6 43.2 5.7 31 33 A I H X S+ 0 0 19 -4,-1.5 4,-2.5 1,-0.2 5,-0.5 0.898 113.9 58.9 -66.9 -41.1 36.0 44.4 8.9 32 34 A A H X S+ 0 0 1 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.905 110.1 39.2 -55.8 -48.2 33.0 45.7 6.9 33 35 A S H < S+ 0 0 38 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.799 122.7 40.5 -77.0 -27.4 32.0 42.4 5.4 34 36 A R H < S+ 0 0 165 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.2 0.917 117.1 39.1 -87.8 -46.6 32.7 40.3 8.5 35 37 A E H < S+ 0 0 15 -4,-2.5 -31,-2.3 -5,-0.2 2,-0.3 0.747 105.8 59.4 -80.5 -27.3 31.5 42.2 11.5 36 38 A F < - 0 0 3 -4,-0.9 -21,-0.2 -5,-0.5 3,-0.1 -0.780 41.3-177.3-111.3 151.6 28.2 43.9 10.4 37 39 A N S S+ 0 0 44 -23,-2.1 38,-1.6 -2,-0.3 2,-0.3 0.216 76.3 57.1-122.7 10.2 24.9 42.5 9.1 38 40 A M E -bc 15 75A 1 -24,-0.8 -22,-1.5 36,-0.2 2,-0.4 -0.997 65.8-163.4-142.6 141.1 23.3 45.9 8.4 39 41 A V E -bc 16 76A 0 36,-2.3 38,-3.5 -2,-0.3 2,-0.4 -0.984 11.6-173.0-134.9 138.9 24.5 48.8 6.2 40 42 A T E -bc 17 77A 0 -24,-2.1 -22,-3.4 -2,-0.4 2,-0.5 -0.978 33.5-120.3-122.2 135.5 23.7 52.5 5.9 41 43 A A E -b 18 0A 0 36,-0.8 4,-0.2 -2,-0.4 -22,-0.2 -0.666 19.1-146.3 -75.2 128.1 25.3 54.5 3.0 42 44 A E S S- 0 0 24 -24,-2.6 -1,-0.2 -2,-0.5 -23,-0.2 0.895 83.3 -22.1 -63.0 -39.4 27.3 57.2 4.7 43 45 A N S > S+ 0 0 60 -25,-0.4 3,-2.1 -3,-0.1 6,-0.3 0.522 112.8 94.5-141.5 -27.4 26.6 59.7 2.0 44 46 A E T 3 S+ 0 0 15 -26,-0.3 18,-0.5 1,-0.3 19,-0.1 0.585 91.5 43.0 -50.9 -20.2 25.6 57.9 -1.2 45 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 2,-0.0 0.245 86.1 112.9-115.9 15.1 21.9 58.1 -0.7 46 48 A K S <> S- 0 0 12 -3,-2.1 4,-2.0 1,-0.1 5,-0.2 -0.273 82.6 -95.8 -78.4 171.3 21.4 61.6 0.5 47 49 A I H > S+ 0 0 5 38,-0.2 4,-2.5 1,-0.2 40,-0.2 0.907 121.2 46.0 -55.4 -50.9 19.6 64.2 -1.6 48 50 A D H 4 S+ 0 0 57 38,-1.3 -1,-0.2 1,-0.2 39,-0.1 0.828 114.6 48.6 -65.7 -31.7 22.6 65.9 -3.2 49 51 A A H 4 S+ 0 0 33 -6,-0.3 12,-0.2 37,-0.2 -1,-0.2 0.808 119.1 37.6 -77.5 -31.5 24.1 62.5 -4.1 50 52 A T H < S+ 0 0 0 -4,-2.0 8,-2.4 1,-0.2 -2,-0.2 0.738 127.6 28.8 -93.8 -27.6 21.0 61.0 -5.6 51 53 A E < + 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 6,-0.2 -0.546 62.4 162.7-136.3 72.1 19.4 64.1 -7.4 52 54 A P S S+ 0 0 46 0, 0.0 2,-0.4 0, 0.0 38,-0.4 0.818 78.4 28.1 -55.2 -39.4 22.3 66.4 -8.4 53 55 A Q B > S-I 56 0B 104 3,-1.1 3,-2.8 -3,-0.1 5,-0.0 -0.976 108.2 -89.1-126.5 140.5 20.0 68.2 -10.9 54 56 A R T 3 S+ 0 0 101 -2,-0.4 3,-0.1 1,-0.3 48,-0.0 -0.224 114.3 2.5 -51.3 130.0 16.3 68.5 -10.4 55 57 A G T 3 S+ 0 0 53 1,-0.1 2,-0.9 47,-0.1 -1,-0.3 0.357 108.5 106.9 73.6 -7.9 14.6 65.5 -12.0 56 58 A Q B < -I 53 0B 126 -3,-2.8 -3,-1.1 -5,-0.1 2,-0.2 -0.774 54.4-170.2-106.8 88.3 18.0 64.1 -12.9 57 59 A F - 0 0 65 -2,-0.9 2,-0.4 -6,-0.2 -6,-0.2 -0.537 10.4-170.7 -82.0 142.5 18.6 61.2 -10.5 58 60 A N + 0 0 79 -8,-2.4 4,-0.3 -2,-0.2 3,-0.2 -0.932 11.6 171.9-134.3 108.1 22.0 59.5 -10.3 59 61 A F > + 0 0 28 -2,-0.4 4,-3.4 1,-0.2 5,-0.3 0.161 46.0 110.9-102.7 18.5 22.1 56.3 -8.3 60 62 A S H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.959 84.6 35.9 -55.6 -59.3 25.6 55.3 -9.2 61 63 A A H > S+ 0 0 28 -12,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.923 120.1 50.0 -62.1 -46.2 27.2 55.8 -5.7 62 64 A G H > S+ 0 0 1 -18,-0.5 4,-2.4 -4,-0.3 -2,-0.2 0.927 111.8 46.6 -59.7 -47.7 24.1 54.6 -3.9 63 65 A D H X S+ 0 0 39 -4,-3.4 4,-2.8 1,-0.2 5,-0.3 0.792 105.0 63.0 -66.2 -25.9 23.8 51.4 -6.0 64 66 A R H X S+ 0 0 127 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.960 109.8 39.1 -61.4 -49.6 27.5 50.9 -5.4 65 67 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.900 115.4 52.4 -66.9 -43.2 26.9 50.6 -1.7 66 68 A Y H X S+ 0 0 41 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.938 111.6 45.6 -59.5 -49.5 23.6 48.6 -2.1 67 69 A N H X S+ 0 0 86 -4,-2.8 4,-3.6 2,-0.2 5,-0.2 0.929 113.0 49.7 -60.3 -48.2 25.2 46.0 -4.4 68 70 A W H X S+ 0 0 42 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.962 113.3 47.2 -54.7 -53.1 28.3 45.6 -2.2 69 71 A A H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 -2,-0.2 0.918 115.8 43.4 -54.3 -51.2 26.0 45.2 0.9 70 72 A V H ><5S+ 0 0 68 -4,-2.9 3,-2.2 1,-0.2 -1,-0.2 0.924 110.6 55.8 -62.5 -44.8 23.7 42.7 -0.8 71 73 A Q H 3<5S+ 0 0 162 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.4 47.5 -55.8 -32.5 26.8 40.9 -2.3 72 74 A N T 3<5S- 0 0 58 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.108 122.1-104.9 -98.5 22.0 28.0 40.6 1.3 73 75 A G T < 5S+ 0 0 66 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.868 75.6 134.0 59.7 41.8 24.7 39.3 2.7 74 76 A K < - 0 0 18 -5,-2.4 -36,-0.2 -8,-0.2 -1,-0.2 -0.912 51.7-129.6-123.7 148.8 23.8 42.6 4.5 75 77 A Q E -c 38 0A 124 -38,-1.6 -36,-2.3 -2,-0.3 2,-0.4 -0.545 26.5-132.6 -87.8 161.6 20.5 44.5 4.6 76 78 A V E -c 39 0A 7 41,-0.3 44,-0.6 -38,-0.2 2,-0.5 -0.960 5.1-148.0-123.9 135.8 20.6 48.2 3.8 77 79 A R E -cd 40 120A 1 -38,-3.5 -36,-0.8 -2,-0.4 2,-0.4 -0.874 26.1-128.0 -96.9 124.2 19.1 51.2 5.7 78 80 A G E - d 0 121A 0 42,-3.5 44,-2.5 -2,-0.5 2,-0.3 -0.590 26.1-149.6 -75.0 128.0 18.0 54.0 3.4 79 81 A H E - d 0 122A 2 -2,-0.4 -34,-0.5 1,-0.2 44,-0.1 -0.931 50.6 -11.6-148.5 117.9 19.4 57.4 4.5 80 82 A T E + 0 0 0 42,-0.6 -1,-0.2 -2,-0.3 43,-0.2 0.699 39.0 164.2-144.7 156.5 18.0 59.8 3.9 81 83 A L E S+ 0 0 2 41,-1.9 2,-0.4 1,-0.2 43,-0.2 0.836 82.1 23.5 -87.7 -35.9 15.1 61.3 2.0 82 84 A A E S+ d 0 124A 1 41,-2.2 43,-2.3 40,-0.4 2,-0.3 -0.984 71.8 138.3-137.6 125.4 14.3 64.7 3.4 83 85 A W E - d 0 125A 17 -2,-0.4 43,-0.1 41,-0.2 44,-0.1 -0.983 50.9-132.8-162.9 150.8 16.7 66.8 5.3 84 86 A H S S+ 0 0 55 41,-0.5 3,-0.4 -2,-0.3 2,-0.1 0.786 88.9 75.0 -79.8 -27.1 17.8 70.5 5.6 85 87 A S S S+ 0 0 44 1,-0.2 -38,-0.2 40,-0.2 -2,-0.1 -0.475 95.1 15.9 -87.6 157.0 21.5 69.5 5.4 86 88 A Q S S+ 0 0 64 1,-0.2 -38,-1.3 -2,-0.1 -1,-0.2 0.861 78.7 160.3 50.9 46.2 23.4 68.4 2.3 87 89 A Q - 0 0 8 -3,-0.4 -1,-0.2 -40,-0.2 5,-0.0 -0.735 45.5-105.6 -94.3 144.6 20.9 69.6 -0.2 88 90 A P >> - 0 0 11 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.301 35.6-104.7 -65.1 156.6 22.1 70.2 -3.8 89 91 A G H 3> S+ 0 0 46 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.859 119.6 55.7 -49.3 -43.3 22.5 73.8 -4.8 90 92 A W H 3> S+ 0 0 42 -38,-0.4 4,-0.8 1,-0.2 -1,-0.3 0.838 110.5 45.1 -61.8 -33.7 19.3 73.8 -6.9 91 93 A M H <4 S+ 0 0 2 -3,-1.0 3,-0.4 2,-0.2 -1,-0.2 0.879 105.9 59.4 -77.3 -38.4 17.2 72.7 -3.9 92 94 A Q H < S+ 0 0 121 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.878 106.2 50.3 -55.3 -38.7 18.9 75.1 -1.5 93 95 A S H < S+ 0 0 102 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.790 96.5 88.3 -71.3 -29.7 17.6 77.9 -3.8 94 96 A L < + 0 0 36 -4,-0.8 2,-0.3 -3,-0.4 -3,-0.0 -0.260 50.8 161.6 -70.2 158.2 14.1 76.6 -3.9 95 97 A S >> + 0 0 62 49,-0.0 4,-1.1 48,-0.0 3,-0.9 -0.943 40.6 21.6-162.6 173.3 11.4 77.6 -1.3 96 98 A G H 3> S- 0 0 31 44,-0.3 4,-2.1 -2,-0.3 3,-0.4 -0.165 121.9 -15.7 59.3-150.4 7.7 77.5 -0.8 97 99 A S H 3> S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.766 135.2 59.4 -58.7 -29.7 5.5 75.2 -2.9 98 100 A T H <> S+ 0 0 59 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.924 107.8 44.9 -68.0 -42.1 8.3 74.5 -5.4 99 101 A L H X S+ 0 0 0 -4,-1.1 4,-2.9 -3,-0.4 -2,-0.2 0.916 111.8 53.4 -65.7 -41.4 10.6 73.2 -2.7 100 102 A R H X S+ 0 0 37 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.929 112.6 44.0 -58.1 -45.9 7.6 71.1 -1.3 101 103 A Q H X S+ 0 0 90 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.880 112.1 52.2 -67.3 -39.6 7.1 69.6 -4.7 102 104 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.897 109.4 50.8 -62.9 -39.6 10.8 69.0 -5.2 103 105 A M H X S+ 0 0 4 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.935 112.4 46.6 -62.1 -46.6 10.9 67.3 -1.9 104 106 A I H X S+ 0 0 33 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.929 111.9 49.1 -61.9 -47.9 8.0 65.1 -3.0 105 107 A D H X S+ 0 0 60 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.867 109.8 54.3 -61.0 -35.8 9.5 64.3 -6.4 106 108 A H H X S+ 0 0 1 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.934 107.7 48.0 -64.0 -47.2 12.7 63.4 -4.7 107 109 A I H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.4 0.962 114.4 46.3 -57.7 -52.9 11.0 60.9 -2.3 108 110 A N H X S+ 0 0 67 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.915 115.0 47.2 -56.0 -47.5 9.2 59.2 -5.2 109 111 A G H X S+ 0 0 21 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.954 116.9 40.5 -61.7 -52.9 12.2 59.1 -7.4 110 112 A V H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.950 120.8 42.9 -63.5 -48.8 14.6 57.7 -4.8 111 113 A M H X S+ 0 0 0 -4,-3.1 4,-1.0 -5,-0.3 -1,-0.2 0.861 109.7 57.5 -67.4 -33.1 12.1 55.3 -3.3 112 114 A G H < S+ 0 0 47 -4,-2.6 3,-0.3 -5,-0.4 -1,-0.2 0.904 108.3 49.0 -62.1 -37.6 10.9 54.3 -6.8 113 115 A H H < S+ 0 0 50 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.876 119.3 34.9 -69.0 -40.1 14.4 53.3 -7.6 114 116 A Y H >X S+ 0 0 0 -4,-1.8 3,-3.1 -5,-0.1 4,-2.2 0.343 81.1 139.0 -99.3 7.1 15.0 51.2 -4.4 115 117 A K T 3< S+ 0 0 121 -4,-1.0 4,-0.1 -3,-0.3 -3,-0.1 -0.288 81.6 9.3 -52.0 126.7 11.5 49.8 -4.1 116 118 A G T 34 S+ 0 0 75 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.352 123.4 71.1 82.2 -8.6 11.9 46.2 -3.1 117 119 A K T <4 S+ 0 0 94 -3,-3.1 2,-0.5 1,-0.3 -41,-0.3 0.794 98.9 37.6-104.5 -44.4 15.6 46.6 -2.5 118 120 A I < - 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