==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-08 3EMZ . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP. BP-23; . AUTHOR J.SANZ-APARICIO,P.ISORNA . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.0 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 . 2 0.6 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 1 0 0 0 0 1 2 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 5 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 PARALLEL BRIDGES PER LADDER . 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 2 A S 0 0 117 0, 0.0 31,-0.0 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 -0.1 21.5 23.9 26.9 2 3 A T - 0 0 98 2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.070 360.0 -40.2-166.9 -83.6 18.5 26.0 28.2 3 4 A E S S+ 0 0 168 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.388 105.7 90.3-143.3 -8.9 15.7 24.3 30.3 4 5 A I S S- 0 0 17 1,-0.0 -2,-0.3 0, 0.0 3,-0.1 -0.773 72.7-120.8-101.6 137.7 15.1 21.0 28.6 5 6 A P - 0 0 65 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.343 39.1 -90.7 -71.1 152.0 16.9 17.7 29.5 6 7 A S > - 0 0 22 1,-0.2 4,-1.6 2,-0.1 30,-0.2 -0.457 30.0-148.8 -64.0 125.2 19.0 15.8 27.0 7 8 A L T 4 S+ 0 0 0 -2,-0.2 3,-0.4 1,-0.2 322,-0.4 0.963 97.5 48.8 -60.2 -51.4 16.7 13.3 25.3 8 9 A S T >4 S+ 0 0 10 28,-0.9 3,-2.0 1,-0.2 7,-0.2 0.903 107.6 54.7 -55.3 -45.5 19.6 10.8 24.8 9 10 A A G >4 S+ 0 0 51 26,-0.4 3,-1.7 1,-0.3 -1,-0.2 0.876 98.6 62.8 -58.1 -37.0 20.7 11.1 28.4 10 11 A S G 3< S+ 0 0 6 -4,-1.6 321,-3.7 -3,-0.4 -1,-0.3 0.535 113.2 36.4 -66.8 -4.2 17.2 10.2 29.5 11 12 A Y G X> S+ 0 0 0 -3,-2.0 3,-3.0 320,-0.3 4,-2.3 0.208 77.2 122.7-130.2 12.6 17.7 6.8 27.8 12 13 A A T <4 S+ 0 0 65 -3,-1.7 -2,-0.1 1,-0.3 -3,-0.1 0.723 86.3 36.4 -49.7 -27.9 21.4 6.3 28.6 13 14 A N T 34 S+ 0 0 129 -4,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.289 122.9 46.6-108.5 10.0 20.6 3.0 30.3 14 15 A S T <4 S- 0 0 14 -3,-3.0 2,-0.3 1,-0.3 -2,-0.2 0.787 118.0 -46.0-113.7 -57.5 17.8 2.1 27.8 15 16 A F < - 0 0 11 -4,-2.3 -1,-0.3 -7,-0.2 271,-0.3 -0.949 60.5 -81.1-174.4 158.4 18.9 2.6 24.3 16 17 A K E -a 286 0A 74 269,-2.0 271,-2.2 -2,-0.3 2,-0.5 -0.282 33.1-146.9 -66.1 156.9 20.6 5.2 22.0 17 18 A I E +a 287 0A 0 269,-0.2 21,-1.7 271,-0.0 22,-0.8 -0.997 29.8 171.2-125.7 119.6 18.6 8.1 20.7 18 19 A G E -ab 288 39A 0 269,-2.3 271,-3.0 -2,-0.5 2,-0.3 -0.756 21.7-151.0-128.4 176.4 19.8 9.2 17.3 19 20 A A E -ab 289 40A 0 20,-1.2 22,-1.9 269,-0.3 2,-0.4 -0.990 25.8-112.9-147.1 151.0 18.9 11.4 14.3 20 21 A A E - b 0 41A 0 269,-1.6 2,-0.3 -2,-0.3 22,-0.2 -0.692 46.7-176.5 -80.2 134.2 19.4 11.4 10.6 21 22 A V E - b 0 42A 0 20,-2.6 22,-2.7 -2,-0.4 23,-0.4 -0.806 24.3-156.4-131.2 171.0 21.8 14.3 9.8 22 23 A H >> - 0 0 50 -2,-0.3 3,-2.2 20,-0.2 4,-0.5 -0.966 36.6-112.0-143.1 145.4 23.4 16.1 6.8 23 24 A T H >> S+ 0 0 27 -2,-0.3 3,-1.0 1,-0.3 4,-0.6 0.773 111.7 69.9 -52.3 -27.9 26.6 18.1 6.9 24 25 A R H 34 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.725 98.4 48.1 -66.0 -20.4 24.7 21.2 6.3 25 26 A M H X> S+ 0 0 9 -3,-2.2 4,-3.1 1,-0.1 3,-0.9 0.556 92.3 79.1 -96.7 -7.4 23.1 21.1 9.7 26 27 A L H S+ 0 0 173 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 113.2 49.0 -63.4 -45.5 25.2 21.7 19.5 32 33 A F H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 114.1 47.4 -59.3 -43.2 21.5 20.8 19.6 33 34 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.947 111.5 48.4 -64.1 -50.0 22.3 17.5 18.0 34 35 A A H < S+ 0 0 38 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.805 112.8 51.4 -60.8 -30.8 25.2 16.7 20.3 35 36 A K H < S+ 0 0 44 -4,-2.0 -26,-0.4 -5,-0.2 -2,-0.2 0.947 122.5 26.7 -71.7 -48.4 23.0 17.6 23.3 36 37 A H H < S+ 0 0 2 -4,-2.3 -28,-0.9 -30,-0.2 2,-0.4 0.577 115.8 57.8 -94.6 -11.4 20.0 15.4 22.3 37 38 A Y < + 0 0 2 -4,-2.7 -19,-0.2 -5,-0.2 -1,-0.1 -0.974 39.4 179.6-129.3 129.2 21.5 12.6 20.3 38 39 A N S S+ 0 0 42 -21,-1.7 38,-2.5 -2,-0.4 2,-0.3 0.110 81.8 47.3-106.2 18.7 24.2 10.0 21.2 39 40 A S E -bc 18 76A 0 -22,-0.8 -20,-1.2 36,-0.2 2,-0.3 -0.980 62.9-175.2-154.2 146.8 23.8 8.5 17.7 40 41 A V E -bc 19 77A 0 36,-1.8 38,-2.4 -2,-0.3 2,-0.4 -0.985 8.0-163.5-144.2 152.3 23.6 9.8 14.2 41 42 A T E -bc 20 78A 0 -22,-1.9 -20,-2.6 -2,-0.3 2,-0.5 -0.977 32.5-115.0-131.4 139.6 23.0 8.3 10.8 42 43 A A E -b 21 0A 1 36,-0.7 4,-0.2 -2,-0.4 -20,-0.2 -0.690 22.4-148.0 -76.3 125.6 23.8 10.1 7.5 43 44 A E S S- 0 0 7 -22,-2.7 -1,-0.2 -2,-0.5 -21,-0.1 0.909 83.0 -24.8 -61.9 -39.5 20.4 10.6 5.9 44 45 A N S > S+ 0 0 42 -23,-0.4 3,-2.5 -3,-0.1 6,-0.3 0.491 114.6 93.6-143.3 -27.5 21.9 10.3 2.4 45 46 A Q T 3 S+ 0 0 15 -24,-0.3 18,-0.5 1,-0.3 -2,-0.1 0.424 91.6 46.4 -62.5 3.8 25.6 11.2 2.5 46 47 A M T 3 S+ 0 0 2 -4,-0.2 -1,-0.3 16,-0.1 5,-0.1 0.313 85.8 114.7-122.3 4.5 26.7 7.6 3.0 47 48 A K S X> S- 0 0 10 -3,-2.5 4,-1.8 1,-0.1 3,-0.9 -0.351 83.1 -99.6 -74.5 159.3 24.6 6.0 0.3 48 49 A F H 3> S+ 0 0 3 33,-0.3 4,-2.2 1,-0.3 3,-0.2 0.857 122.3 46.5 -43.8 -51.9 26.1 4.4 -2.8 49 50 A E H 34 S+ 0 0 71 38,-2.4 -1,-0.3 1,-0.2 39,-0.1 0.804 112.4 51.9 -65.8 -29.8 25.5 7.4 -5.1 50 51 A E H <4 S+ 0 0 77 -3,-0.9 -1,-0.2 -6,-0.3 -2,-0.2 0.788 123.2 25.4 -79.2 -29.4 26.8 9.9 -2.5 51 52 A V H < S+ 0 0 0 -4,-1.8 8,-1.6 -3,-0.2 -2,-0.2 0.561 132.2 34.4-109.9 -11.5 30.1 8.2 -1.8 52 53 A H < + 0 0 4 -4,-2.2 6,-0.2 -5,-0.4 -1,-0.2 -0.501 62.9 153.4-142.9 65.9 30.7 6.2 -5.0 53 54 A P S S+ 0 0 34 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.868 73.6 27.2 -63.5 -39.3 29.3 8.4 -7.9 54 55 A R B > S-J 57 0B 129 3,-1.0 3,-2.0 -3,-0.1 0, 0.0 -0.903 89.9-109.3-124.7 151.7 31.7 6.9 -10.5 55 56 A E T 3 S+ 0 0 65 -2,-0.3 -1,-0.1 1,-0.3 3,-0.0 0.821 117.7 30.8 -49.8 -40.6 33.3 3.4 -10.6 56 57 A H T 3 S+ 0 0 169 1,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.073 110.0 82.1-109.7 26.3 36.9 4.7 -9.9 57 58 A E B < -J 54 0B 84 -3,-2.0 -3,-1.0 2,-0.0 2,-0.4 -0.936 51.7-172.6-139.4 117.9 35.9 7.7 -7.8 58 59 A Y - 0 0 68 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.869 5.3-166.5-106.6 137.7 34.9 7.9 -4.1 59 60 A T + 0 0 55 -8,-1.6 4,-0.3 -2,-0.4 3,-0.2 -0.810 24.6 152.8-124.9 88.4 33.6 11.1 -2.5 60 61 A F > + 0 0 11 -2,-0.5 4,-3.2 1,-0.2 5,-0.3 0.432 37.9 106.3 -96.7 -2.1 33.8 10.7 1.2 61 62 A E H > S+ 0 0 151 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.894 84.2 42.0 -43.2 -58.2 34.1 14.4 2.2 62 63 A A H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.941 117.8 45.2 -58.4 -51.8 30.5 14.7 3.5 63 64 A A H > S+ 0 0 0 -18,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.846 111.0 54.7 -62.0 -35.7 30.4 11.4 5.3 64 65 A D H X S+ 0 0 38 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.889 106.9 50.7 -65.4 -38.8 33.9 12.0 6.8 65 66 A E H X S+ 0 0 88 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.840 109.9 49.9 -66.7 -36.1 32.7 15.3 8.3 66 67 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.898 113.1 46.8 -69.2 -41.5 29.7 13.6 9.9 67 68 A V H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.915 110.9 50.0 -68.8 -42.9 32.0 10.9 11.4 68 69 A D H X S+ 0 0 117 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.930 111.4 51.5 -59.2 -44.4 34.6 13.4 12.7 69 70 A F H < S+ 0 0 17 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.949 118.0 36.3 -56.1 -53.8 31.7 15.4 14.3 70 71 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-2.3 0.978 116.1 49.3 -65.4 -60.8 30.2 12.3 16.0 71 72 A V H ><5S+ 0 0 66 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.831 107.5 55.7 -52.0 -37.5 33.3 10.4 17.0 72 73 A A T 3<5S+ 0 0 86 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.647 112.4 44.9 -71.3 -12.9 35.0 13.4 18.5 73 74 A R T < 5S- 0 0 132 -3,-2.3 -1,-0.3 -4,-0.4 -2,-0.2 0.165 117.4-106.4-114.9 16.6 31.9 13.8 20.7 74 75 A G T < 5S+ 0 0 71 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.677 73.6 145.8 67.4 14.7 31.4 10.2 21.8 75 76 A I < - 0 0 10 -5,-2.4 -1,-0.2 -6,-0.2 -36,-0.2 -0.750 46.2-129.1 -89.5 127.5 28.4 10.1 19.5 76 77 A G E -c 39 0A 17 -38,-2.5 -36,-1.8 -2,-0.5 2,-0.4 -0.323 17.0-146.9 -73.0 158.4 27.8 6.7 17.7 77 78 A V E -c 40 0A 0 47,-0.5 49,-1.0 -38,-0.2 50,-0.9 -0.993 3.7-155.9-131.7 128.8 27.3 6.5 14.0 78 79 A R E -cd 41 127A 1 -38,-2.4 -36,-0.7 -2,-0.4 2,-0.5 -0.877 19.5-133.6-102.1 134.2 25.1 4.0 12.0 79 80 A G E - d 0 128A 0 48,-3.4 50,-3.1 -2,-0.4 2,-0.5 -0.758 23.7-141.8 -86.6 127.3 26.1 3.4 8.4 80 81 A H - 0 0 3 -2,-0.5 50,-0.1 48,-0.2 -34,-0.1 -0.802 51.3 -26.0-104.0 128.5 23.0 3.5 6.2 81 82 A T + 0 0 4 -2,-0.5 -33,-0.3 50,-0.1 49,-0.2 0.907 43.2 174.1 45.9 111.8 22.4 1.3 3.3 82 83 A L S S+ 0 0 2 47,-1.0 2,-0.5 48,-1.0 49,-0.2 0.729 83.3 34.5-102.4 -41.7 25.2 -0.4 1.4 83 84 A V B S+e 131 0A 1 47,-2.4 49,-2.4 46,-0.3 -1,-0.3 -0.956 78.3 134.0-120.3 115.0 22.9 -2.4 -0.8 84 85 A W - 0 0 20 -2,-0.5 49,-0.1 47,-0.2 50,-0.1 -0.984 57.7-124.6-156.9 148.6 19.5 -0.9 -1.8 85 86 A H S S+ 0 0 53 47,-0.5 3,-0.3 -2,-0.3 2,-0.2 0.662 94.4 62.5 -73.4 -14.1 17.6 -0.6 -5.1 86 87 A N S S+ 0 0 76 1,-0.2 -38,-0.2 -3,-0.0 -2,-0.2 -0.639 98.4 20.9-108.1 168.3 17.5 3.2 -4.7 87 88 A Q S S+ 0 0 49 -2,-0.2 -38,-2.4 1,-0.2 -37,-0.3 0.756 87.6 128.6 45.7 34.4 20.1 5.9 -4.6 88 89 A T - 0 0 24 -3,-0.3 -1,-0.2 -40,-0.2 5,-0.1 -0.977 63.0-114.8-118.6 124.2 22.6 3.6 -6.4 89 90 A P > - 0 0 20 0, 0.0 3,-0.9 0, 0.0 4,-0.4 -0.163 18.1-124.6 -57.3 148.2 24.4 4.9 -9.5 90 91 A A G > S+ 0 0 53 1,-0.2 3,-1.7 2,-0.2 4,-0.4 0.821 103.4 71.2 -65.1 -33.0 23.6 3.2 -12.8 91 92 A W G > S+ 0 0 40 1,-0.3 3,-1.1 -38,-0.3 -1,-0.2 0.813 88.0 65.8 -54.6 -31.2 27.2 2.4 -13.6 92 93 A M G < S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.806 108.5 37.9 -60.7 -30.3 27.1 -0.3 -10.8 93 94 A F G < S+ 0 0 13 -3,-1.7 8,-2.4 -4,-0.4 2,-0.3 0.324 108.0 80.3-104.8 6.2 24.6 -2.3 -12.8 94 95 A E B < -K 100 0C 80 -3,-1.1 6,-0.3 -4,-0.4 2,-0.2 -0.770 59.9-146.1-117.7 159.7 26.0 -1.7 -16.3 95 96 A D > - 0 0 53 4,-2.0 3,-2.0 -2,-0.3 6,-0.1 -0.480 48.1 -79.8-108.4-176.0 28.8 -3.0 -18.5 96 97 A A T 3 S+ 0 0 116 1,-0.3 5,-0.0 -2,-0.2 4,-0.0 0.771 128.9 52.5 -57.3 -29.0 31.0 -1.3 -21.1 97 98 A S T 3 S- 0 0 100 3,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.289 120.0-105.2 -91.9 10.2 28.2 -1.5 -23.7 98 99 A G S < S+ 0 0 48 -3,-2.0 -2,-0.1 1,-0.2 3,-0.1 0.481 87.8 121.4 80.4 -1.0 25.6 0.1 -21.5 99 100 A G S S- 0 0 27 1,-0.2 -4,-2.0 -5,-0.1 -1,-0.2 -0.049 74.4 -61.2 -79.6-169.1 24.2 -3.4 -21.1 100 101 A T B -K 94 0C 95 -6,-0.3 -6,-0.3 -3,-0.1 -1,-0.2 -0.533 51.1-115.0 -81.1 142.7 23.7 -5.2 -17.8 101 102 A A - 0 0 3 -8,-2.4 -6,-0.1 -2,-0.2 2,-0.1 -0.395 33.6-118.0 -70.8 150.9 26.7 -6.0 -15.6 102 103 A S > - 0 0 47 -8,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.355 25.1-104.2 -84.6 170.8 27.4 -9.7 -15.1 103 104 A R H > S+ 0 0 86 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.911 122.6 52.4 -60.3 -46.0 27.3 -11.6 -11.8 104 105 A E H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 112.1 46.5 -58.3 -41.0 31.1 -11.7 -11.6 105 106 A M H > S+ 0 0 54 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.914 110.6 52.0 -69.0 -42.0 31.2 -7.9 -12.2 106 107 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 45,-0.2 -2,-0.2 0.936 112.1 47.3 -58.2 -46.7 28.4 -7.3 -9.6 107 108 A L H X S+ 0 0 38 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.917 113.4 45.1 -62.6 -48.1 30.4 -9.3 -7.0 108 109 A S H X S+ 0 0 55 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 116.6 47.5 -65.1 -39.3 33.8 -7.7 -7.6 109 110 A R H X S+ 0 0 19 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.865 113.1 47.2 -69.3 -35.8 32.1 -4.2 -7.6 110 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.863 112.2 51.4 -72.5 -35.3 30.1 -4.9 -4.5 111 112 A K H X S+ 0 0 61 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.956 112.4 44.7 -63.6 -52.8 33.2 -6.3 -2.7 112 113 A Q H X S+ 0 0 98 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.903 114.1 49.9 -61.0 -42.3 35.3 -3.3 -3.6 113 114 A H H X S+ 0 0 1 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.947 113.9 44.5 -61.6 -49.8 32.5 -0.9 -2.6 114 115 A I H X>S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-1.0 0.938 113.5 49.6 -60.5 -50.3 32.0 -2.6 0.8 115 116 A D H X5S+ 0 0 60 -4,-2.9 4,-0.8 3,-0.2 -1,-0.2 0.895 116.6 42.9 -58.2 -40.5 35.7 -2.9 1.6 116 117 A T H X5S+ 0 0 49 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.950 122.7 35.7 -72.1 -48.0 36.2 0.8 0.8 117 118 A V H X5S+ 0 0 0 -4,-3.1 4,-0.9 -5,-0.2 -3,-0.2 0.950 128.7 32.9 -70.8 -53.7 33.1 2.1 2.5 118 119 A V H <5S+ 0 0 0 -4,-2.8 3,-0.3 -5,-0.3 -3,-0.2 0.898 119.4 53.1 -72.1 -40.0 32.9 -0.2 5.5 119 120 A G H ><X S+ 0 0 4 -4,-0.9 3,-3.4 -3,-0.3 4,-1.0 0.114 84.6 161.4-103.5 20.2 35.2 3.5 9.1 122 123 A K T <4 S+ 0 0 107 -3,-1.2 46,-0.1 1,-0.3 -3,-0.1 -0.135 74.9 5.8 -43.7 128.4 36.3 0.2 10.5 123 124 A D T 34 S+ 0 0 105 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.424 117.9 81.0 72.5 1.8 35.7 0.2 14.3 124 125 A Q T <4 S+ 0 0 85 -3,-3.4 2,-0.6 1,-0.1 -47,-0.5 0.630 78.5 65.3-109.5 -20.1 33.9 3.6 14.1 125 126 A I < - 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