==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAR-04 1UZ1 . COMPND 2 MOLECULE: BETA-GLUCOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.M.GLOSTER,J.MACDONALD,R.V.STICK,G.J.DAVIES . 879 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 679 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 67 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.7 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 8 0 2 2 0 4 0 2 1 1 3 1 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 4 10 4 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 . 6 1 0 4 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 . 1 3 0 1 0 0 0 2 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 V 0 0 141 0, 0.0 2,-0.6 0, 0.0 440,-0.3 0.000 360.0 360.0 360.0 123.5 -25.8 24.0 19.9 2 4 A K E -A 440 0A 87 438,-1.3 438,-2.2 2,-0.0 2,-0.3 -0.901 360.0-174.1-121.5 98.0 -22.1 23.7 20.8 3 5 A K E -A 439 0A 128 -2,-0.6 436,-0.2 436,-0.2 435,-0.1 -0.764 12.6-140.9 -96.0 142.1 -20.3 27.0 20.1 4 6 A F - 0 0 12 434,-2.5 3,-0.1 -2,-0.3 375,-0.0 -0.368 36.9 -70.7 -93.6 169.7 -16.5 27.4 20.5 5 7 A P > - 0 0 55 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.223 60.5 -88.2 -59.5 152.0 -14.5 30.4 21.9 6 8 A E T 3 S+ 0 0 191 1,-0.3 432,-0.0 -3,-0.1 -3,-0.0 -0.361 117.3 16.5 -56.8 138.2 -14.3 33.7 19.9 7 9 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 -3,-0.1 431,-0.0 0.544 84.9 161.1 71.4 8.2 -11.3 33.4 17.5 8 10 A F < - 0 0 6 -3,-2.0 2,-0.8 1,-0.1 382,-0.2 -0.345 41.6-119.2 -56.9 140.8 -11.0 29.6 17.8 9 11 A L E -b 390 0B 29 380,-2.6 382,-2.6 62,-0.0 2,-0.5 -0.774 26.9-170.3-100.6 108.8 -9.0 28.3 14.8 10 12 A W E +b 391 0B 0 -2,-0.8 63,-1.5 380,-0.2 62,-1.2 -0.827 25.3 156.9 -91.3 126.6 -10.7 25.9 12.4 11 13 A G E -bc 392 73B 0 380,-3.0 382,-2.4 -2,-0.5 2,-0.3 -0.799 38.1-133.1-137.8 179.7 -8.2 24.3 9.9 12 14 A V E -bc 393 74B 0 61,-1.3 63,-2.6 380,-0.3 2,-0.3 -0.938 25.7-148.0-131.2 155.8 -7.3 21.6 7.5 13 15 A A E +bc 394 75B 0 380,-2.3 383,-1.2 -2,-0.3 382,-0.6 -0.947 19.6 164.5-130.6 145.9 -3.9 19.9 7.4 14 16 A T - 0 0 1 61,-2.3 2,-0.3 -2,-0.3 385,-0.0 -0.814 24.8-131.0-136.4-175.8 -1.6 18.3 4.7 15 17 A A > - 0 0 0 -2,-0.2 4,-1.1 61,-0.2 5,-0.3 -0.988 22.7-119.8-141.6 144.2 2.0 17.2 4.3 16 18 A S H >> S+ 0 0 1 -2,-0.3 4,-2.5 1,-0.2 3,-0.6 0.865 109.0 42.5 -47.6 -54.8 4.5 17.9 1.5 17 19 A Y H 34 S+ 0 0 11 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.829 111.2 56.8 -71.6 -28.4 5.3 14.4 0.3 18 20 A Q H 34 S+ 0 0 1 -3,-0.3 382,-2.3 1,-0.1 -1,-0.2 0.752 125.2 14.6 -73.0 -24.1 1.6 13.2 0.6 19 21 A I H << S+ 0 0 2 -4,-1.1 36,-2.1 -3,-0.6 34,-0.7 0.713 109.8 69.9-120.8 -31.5 0.2 15.9 -1.8 20 22 A E < - 0 0 7 -4,-2.5 36,-2.3 -5,-0.3 37,-0.3 0.887 60.2-175.7 -65.4 -48.5 2.9 17.7 -3.8 21 23 A G + 0 0 2 -5,-0.3 30,-0.3 -4,-0.3 29,-0.2 -0.233 54.9 86.2 62.1-172.1 4.3 15.3 -6.4 22 24 A S > + 0 0 36 28,-2.6 3,-1.6 1,-0.1 28,-0.1 0.898 52.5 172.8 51.8 49.6 7.2 16.5 -8.5 23 25 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.729 75.9 38.6 -65.4 -21.2 9.7 15.5 -5.8 24 26 A L T > S+ 0 0 87 26,-0.1 3,-0.7 3,-0.1 4,-0.1 0.266 89.0 127.8-111.8 11.6 12.8 16.2 -8.0 25 27 A A G X S+ 0 0 27 -3,-1.6 3,-1.7 1,-0.2 -4,-0.0 -0.293 71.2 6.2 -65.6 147.7 11.4 19.4 -9.7 26 28 A D G 3 S- 0 0 81 1,-0.3 -1,-0.2 2,-0.0 68,-0.2 0.792 134.6 -48.3 49.2 43.4 13.4 22.7 -9.8 27 29 A G G < S+ 0 0 44 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.561 88.5 158.6 83.8 8.5 16.6 21.4 -8.2 28 30 A A < - 0 0 13 -3,-1.7 54,-0.2 -4,-0.1 -1,-0.2 -0.333 37.0-126.5 -63.2 144.7 15.1 19.5 -5.2 29 31 A G - 0 0 14 52,-2.3 57,-0.1 1,-0.1 -1,-0.1 -0.525 33.6 -91.0 -81.3 160.8 17.2 16.8 -3.6 30 32 A M - 0 0 77 -2,-0.2 94,-2.5 55,-0.1 95,-0.5 -0.393 39.8-149.0 -62.0 148.1 15.9 13.3 -3.1 31 33 A S B > -J 123 0C 5 92,-0.3 4,-1.9 93,-0.1 3,-0.2 -0.724 27.9-107.6-108.8 168.8 14.1 12.5 0.2 32 34 A I H > S+ 0 0 3 90,-2.2 4,-2.0 -2,-0.2 5,-0.1 0.703 120.8 57.4 -67.0 -23.2 14.0 9.2 2.1 33 35 A W H > S+ 0 0 2 89,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.818 104.1 52.3 -76.1 -32.5 10.4 8.8 1.1 34 36 A H H > S+ 0 0 22 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.969 116.3 38.4 -59.0 -54.2 11.4 9.1 -2.6 35 37 A T H < S+ 0 0 33 -4,-1.9 -2,-0.2 1,-0.2 4,-0.2 0.880 117.4 51.0 -70.0 -37.2 14.0 6.3 -2.2 36 38 A F H >< S+ 0 0 11 -4,-2.0 3,-0.9 1,-0.2 6,-0.3 0.910 112.8 43.7 -62.8 -46.9 11.8 4.2 0.2 37 39 A S H 3< S+ 0 0 6 -4,-2.0 6,-0.2 1,-0.2 -1,-0.2 0.778 109.8 58.0 -74.6 -23.9 8.7 4.2 -2.0 38 40 A H T 3< S+ 0 0 85 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.456 88.3 91.4 -81.7 1.0 10.9 3.5 -5.1 39 41 A T S X S- 0 0 68 -3,-0.9 3,-1.6 -4,-0.2 4,-0.3 -0.873 90.5-110.9 -94.6 121.1 12.2 0.3 -3.4 40 42 A P T 3 S+ 0 0 124 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.196 96.1 20.1 -52.9 136.1 9.9 -2.6 -4.4 41 43 A G T 3 S+ 0 0 77 2,-0.3 -4,-0.1 -4,-0.1 3,-0.1 0.187 95.8 95.9 95.0 -14.1 7.8 -4.1 -1.7 42 44 A N S < S+ 0 0 53 -3,-1.6 2,-0.4 -6,-0.3 -5,-0.1 0.789 84.2 39.2 -82.5 -30.1 7.8 -1.1 0.7 43 45 A V S > S- 0 0 8 -4,-0.3 3,-2.2 -6,-0.2 -2,-0.3 -0.973 94.1 -96.3-127.3 136.0 4.5 0.5 -0.4 44 46 A K G > S+ 0 0 85 359,-2.6 3,-1.9 -2,-0.4 362,-0.2 -0.190 107.0 0.5 -48.4 131.1 1.2 -1.0 -1.4 45 47 A N G 3 S- 0 0 101 1,-0.3 -1,-0.3 360,-0.1 3,-0.1 0.606 119.1 -79.7 62.2 16.3 0.7 -1.4 -5.2 46 48 A G G < S+ 0 0 55 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.749 81.2 168.7 64.8 21.8 4.2 0.1 -5.7 47 49 A D < - 0 0 34 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.2 -0.370 9.3-178.2 -66.3 148.0 2.6 3.5 -5.2 48 50 A T - 0 0 23 -3,-0.1 4,-0.5 -10,-0.1 3,-0.5 -0.861 40.6-109.8-134.4 177.6 5.0 6.5 -4.8 49 51 A G S S+ 0 0 0 -2,-0.3 -28,-0.2 -16,-0.2 -15,-0.1 0.148 80.2 113.7 -92.5 20.0 4.8 10.2 -4.3 50 52 A D S S- 0 0 58 -29,-0.2 -28,-2.6 -28,-0.1 -1,-0.2 0.883 100.1 -0.2 -58.5 -39.6 6.0 11.0 -7.8 51 53 A V S > S+ 0 0 88 -3,-0.5 3,-2.8 -30,-0.3 5,-0.2 0.733 83.7 153.2-117.0 -47.8 2.6 12.6 -8.7 52 54 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.240 85.2 -21.3 53.8-131.4 0.3 12.4 -5.7 53 55 A C T 3 S- 0 0 0 -34,-0.7 -1,-0.3 -35,-0.2 -33,-0.1 0.310 83.8-124.7 -85.0 6.6 -2.3 15.2 -5.8 54 56 A D X> + 0 0 22 -3,-2.8 4,-2.2 1,-0.1 3,-1.6 0.804 58.7 152.5 47.0 36.7 0.0 17.2 -8.2 55 57 A H H 3> + 0 0 4 -36,-2.1 4,-1.4 1,-0.3 -35,-0.2 0.770 57.5 76.6 -65.8 -22.1 -0.3 20.1 -5.6 56 58 A Y H 34 S+ 0 0 15 -36,-2.3 -1,-0.3 -37,-0.3 -35,-0.1 0.818 114.7 20.0 -58.6 -30.3 3.1 21.3 -6.8 57 59 A N H <4 S+ 0 0 96 -3,-1.6 3,-0.3 -37,-0.3 -2,-0.2 0.699 128.2 50.6-103.7 -29.0 1.3 22.7 -9.8 58 60 A R H X S+ 0 0 92 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.261 70.8 116.3 -96.9 9.2 -2.3 22.8 -8.4 59 61 A W H X S+ 0 0 25 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.800 74.2 52.6 -50.5 -40.1 -1.5 24.7 -5.2 60 62 A K H > S+ 0 0 92 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.952 109.3 47.9 -67.6 -47.6 -3.6 27.8 -6.1 61 63 A E H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.904 111.9 51.7 -56.1 -40.1 -6.7 25.8 -6.9 62 64 A D H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.881 111.9 45.1 -65.9 -39.6 -6.3 23.9 -3.5 63 65 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.919 108.1 56.9 -69.7 -44.4 -6.0 27.2 -1.6 64 66 A E H X S+ 0 0 86 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.850 106.9 52.3 -53.6 -33.6 -9.0 28.6 -3.5 65 67 A I H X S+ 0 0 27 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.892 107.4 49.4 -65.6 -43.5 -10.8 25.6 -2.1 66 68 A I H <>S+ 0 0 0 -4,-1.5 5,-1.8 2,-0.2 4,-0.4 0.948 114.8 46.2 -59.6 -49.5 -9.7 26.3 1.5 67 69 A E H ><5S+ 0 0 86 -4,-2.9 3,-2.7 1,-0.2 -2,-0.2 0.967 110.2 51.5 -52.4 -59.0 -10.9 29.9 1.0 68 70 A K H 3<5S+ 0 0 132 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.838 108.5 53.7 -53.4 -33.9 -14.3 28.9 -0.6 69 71 A L T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -5,-0.1 367,-0.2 0.583 111.4-122.9 -76.3 -11.2 -14.9 26.6 2.4 70 72 A G T < 5 + 0 0 32 -3,-2.7 -3,-0.2 -4,-0.4 2,-0.2 0.612 52.0 163.2 76.3 12.8 -14.3 29.4 4.9 71 73 A V < - 0 0 4 -5,-1.8 -1,-0.2 -6,-0.2 -60,-0.2 -0.435 26.3-158.7 -69.3 134.1 -11.5 27.5 6.6 72 74 A K + 0 0 92 -62,-1.2 40,-3.0 -2,-0.2 2,-0.3 0.656 65.6 37.0 -95.2 -16.6 -9.5 29.9 8.7 73 75 A A E -cd 11 112B 0 -63,-1.5 -61,-1.3 38,-0.2 2,-0.5 -0.985 57.8-158.7-136.8 147.4 -6.1 28.0 9.1 74 76 A Y E -cd 12 113B 1 38,-2.4 40,-2.8 -2,-0.3 2,-0.6 -0.962 4.6-161.5-129.1 116.2 -4.0 25.8 6.9 75 77 A R E +cd 13 114B 0 -63,-2.6 -61,-2.3 -2,-0.5 2,-0.3 -0.860 27.6 155.0 -92.7 121.3 -1.4 23.4 8.4 76 78 A F E - d 0 115B 6 38,-2.0 40,-2.9 -2,-0.6 2,-0.3 -0.950 31.7-129.3-140.4 159.6 1.2 22.4 5.7 77 79 A S E - d 0 116B 2 -2,-0.3 2,-0.4 38,-0.2 40,-0.2 -0.797 12.6-128.9-113.3 158.6 4.7 21.1 5.8 78 80 A I - 0 0 0 38,-1.9 2,-0.8 -2,-0.3 41,-0.4 -0.872 22.9-124.0-101.1 130.7 7.9 22.2 3.9 79 81 A S >> - 0 0 10 -2,-0.4 4,-1.1 1,-0.2 3,-1.0 -0.706 16.1-152.4 -72.0 109.1 10.0 19.6 2.1 80 82 A W H >> S+ 0 0 0 -2,-0.8 4,-2.8 41,-0.3 3,-1.0 0.909 92.7 53.9 -48.9 -50.7 13.5 19.9 3.6 81 83 A P H 34 S+ 0 0 1 0, 0.0 -52,-2.3 0, 0.0 -1,-0.2 0.706 102.0 58.9 -68.4 -12.1 15.3 18.7 0.3 82 84 A R H <4 S+ 0 0 7 -3,-1.0 13,-0.4 -54,-0.2 14,-0.2 0.827 114.6 37.4 -74.7 -29.5 13.5 21.3 -1.8 83 85 A I H << S+ 0 0 0 -4,-1.1 9,-2.9 -3,-1.0 13,-0.2 0.890 137.1 15.8 -89.6 -45.5 15.0 24.0 0.4 84 86 A L S >< S- 0 0 0 -4,-2.8 3,-2.5 7,-0.2 -1,-0.3 -0.856 70.3-165.0-132.1 95.2 18.5 22.4 1.0 85 87 A P T 3 S+ 0 0 4 0, 0.0 40,-0.4 0, 0.0 39,-0.1 0.730 92.6 38.2 -56.7 -31.5 19.0 19.6 -1.6 86 88 A E T 3 S- 0 0 92 4,-0.3 2,-1.0 2,-0.3 5,-0.1 0.130 117.0-112.1 -98.3 11.5 22.0 18.1 0.3 87 89 A G S < S+ 0 0 0 -3,-2.5 2,-0.3 -7,-0.2 57,-0.1 -0.207 93.9 33.6 87.9 -48.8 20.3 18.7 3.6 88 90 A T S S+ 0 0 31 -2,-1.0 2,-0.8 55,-0.1 -2,-0.3 -0.883 107.1 24.8-126.1 170.1 22.8 21.4 4.7 89 91 A G S S+ 0 0 51 -2,-0.3 -2,-0.0 -4,-0.1 2,-0.0 -0.723 97.3 62.5 88.1-109.8 24.9 24.0 2.9 90 92 A R - 0 0 136 -2,-0.8 2,-0.5 1,-0.1 -4,-0.3 -0.285 65.0-150.5 -66.4 133.2 23.3 25.1 -0.4 91 93 A V - 0 0 61 -7,-0.2 2,-0.8 -6,-0.1 -7,-0.2 -0.910 9.7-140.6-102.7 127.4 19.9 26.7 -0.4 92 94 A N >> - 0 0 10 -9,-2.9 4,-1.7 -2,-0.5 3,-1.3 -0.760 7.4-161.1 -89.6 104.7 17.6 26.2 -3.4 93 95 A Q H 3> S+ 0 0 95 -2,-0.8 4,-2.6 1,-0.3 -1,-0.2 0.807 89.5 59.4 -58.1 -30.0 15.8 29.6 -4.2 94 96 A K H 3> S+ 0 0 104 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.766 103.1 52.2 -71.9 -26.6 13.1 27.8 -6.3 95 97 A G H <> S+ 0 0 2 -3,-1.3 4,-1.6 -13,-0.4 -2,-0.2 0.914 110.5 47.4 -70.4 -46.0 12.1 25.7 -3.3 96 98 A L H X S+ 0 0 2 -4,-1.7 4,-3.0 -14,-0.2 -2,-0.2 0.942 110.1 54.3 -57.2 -47.7 11.8 28.9 -1.2 97 99 A D H X S+ 0 0 59 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.880 102.8 56.5 -51.1 -49.8 9.7 30.4 -4.1 98 100 A F H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.918 115.8 35.9 -52.7 -47.8 7.3 27.5 -4.1 99 101 A Y H X S+ 0 0 1 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.852 110.7 61.0 -77.8 -35.1 6.4 28.0 -0.4 100 102 A N H X S+ 0 0 28 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.898 105.4 49.9 -54.6 -42.6 6.6 31.9 -0.6 101 103 A R H X S+ 0 0 106 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.891 112.0 46.9 -63.8 -39.7 3.8 31.8 -3.2 102 104 A I H X S+ 0 0 2 -4,-1.1 4,-2.2 -5,-0.2 -2,-0.2 0.921 113.8 48.1 -66.0 -46.0 1.6 29.5 -0.9 103 105 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.946 113.7 45.8 -61.4 -51.9 2.3 31.7 2.2 104 106 A D H X S+ 0 0 63 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.846 112.4 51.3 -59.8 -41.1 1.5 35.0 0.4 105 107 A T H X S+ 0 0 13 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.917 110.1 49.5 -65.0 -43.8 -1.6 33.6 -1.2 106 108 A L H <>S+ 0 0 0 -4,-2.2 5,-3.2 2,-0.2 4,-0.2 0.946 112.6 47.0 -59.1 -49.2 -2.9 32.4 2.2 107 109 A L H ><5S+ 0 0 66 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.905 110.8 51.7 -61.4 -44.5 -2.2 35.8 3.8 108 110 A E H 3<5S+ 0 0 156 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.877 113.2 45.9 -54.6 -41.8 -4.0 37.6 1.0 109 111 A K T 3<5S- 0 0 54 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.393 118.4-115.1 -82.5 -1.3 -6.9 35.3 1.4 110 112 A G T < 5 + 0 0 57 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.828 66.7 143.6 67.4 32.7 -6.8 35.8 5.2 111 113 A I < - 0 0 5 -5,-3.2 -1,-0.2 -6,-0.1 -38,-0.2 -0.902 51.2-125.3-103.1 133.5 -5.9 32.2 6.0 112 114 A T E -d 73 0B 47 -40,-3.0 -38,-2.4 -2,-0.5 2,-0.4 -0.677 22.3-137.5 -82.1 117.1 -3.5 31.6 8.9 113 115 A P E -d 74 0B 5 0, 0.0 45,-0.6 0, 0.0 2,-0.5 -0.605 17.3-172.0 -75.5 126.0 -0.4 29.5 7.9 114 116 A F E -de 75 158B 0 -40,-2.8 -38,-2.0 -2,-0.4 2,-0.5 -0.965 16.8-156.3-112.5 110.4 0.7 26.8 10.4 115 117 A V E -de 76 159B 0 43,-2.0 45,-2.6 -2,-0.5 2,-0.7 -0.765 11.4-156.4 -99.1 125.3 4.0 25.4 9.1 116 118 A T E -de 77 160B 0 -40,-2.9 -38,-1.9 -2,-0.5 3,-0.2 -0.885 4.3-163.4 -93.0 114.1 5.4 22.0 9.9 117 119 A I E S+ 0 0 0 43,-3.0 2,-0.5 -2,-0.7 -37,-0.2 0.924 78.7 26.8 -63.8 -42.6 9.2 22.1 9.5 118 120 A Y E + e 0 162B 2 43,-1.4 45,-2.1 42,-0.4 -1,-0.3 -0.935 54.2 159.2-132.3 111.1 9.5 18.3 9.4 119 121 A H S S- 0 0 3 -2,-0.5 -102,-0.3 -41,-0.4 -42,-0.1 -0.381 76.1 -75.8-125.0 49.5 6.8 15.9 8.3 120 122 A W S S+ 0 0 15 1,-0.1 2,-1.4 43,-0.1 -88,-0.1 0.118 97.6 113.4 96.5 -14.3 9.0 12.8 7.4 121 123 A D - 0 0 2 -43,-0.1 -41,-0.3 -89,-0.1 -1,-0.1 -0.473 45.7-179.6 -90.3 65.1 10.7 13.7 4.1 122 124 A L - 0 0 0 -2,-1.4 -90,-2.2 1,-0.1 -89,-0.3 -0.332 40.2 -94.4 -59.0 142.1 14.3 13.9 5.4 123 125 A P B >> -J 31 0C 0 0, 0.0 4,-1.5 0, 0.0 3,-1.2 -0.413 27.3-136.4 -55.9 129.0 16.9 14.7 2.7 124 126 A F H 3> S+ 0 0 55 -94,-2.5 4,-1.8 1,-0.3 5,-0.2 0.866 102.8 65.2 -53.6 -38.2 18.4 11.4 1.4 125 127 A A H 34 S+ 0 0 26 -95,-0.5 4,-0.3 -40,-0.4 -1,-0.3 0.813 104.0 46.0 -57.3 -32.0 21.8 13.0 1.5 126 128 A L H X4>S+ 0 0 0 -3,-1.2 5,-2.4 2,-0.2 3,-1.0 0.820 104.1 60.4 -83.1 -31.9 21.5 13.2 5.3 127 129 A Q H ><5S+ 0 0 30 -4,-1.5 3,-2.0 1,-0.3 -2,-0.2 0.864 98.5 59.9 -59.0 -36.9 20.2 9.6 5.6 128 130 A L T 3<5S+ 0 0 124 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.719 103.6 51.8 -61.8 -22.4 23.5 8.6 4.1 129 131 A K T < 5S- 0 0 105 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.113 138.2 -84.8 -99.8 19.9 25.1 10.2 7.1 130 132 A G T X 5 - 0 0 30 -3,-2.0 3,-2.0 3,-0.1 -3,-0.2 0.254 54.4-146.1 99.8 -13.1 22.9 8.3 9.5 131 133 A G G > S+ 0 0 117 -2,-0.5 3,-1.7 1,-0.3 4,-0.3 0.808 97.0 71.4 -55.9 -30.3 23.8 13.3 16.9 136 138 A E T >> S+ 0 0 107 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.632 73.5 82.2 -63.8 -14.6 24.8 15.9 14.3 137 139 A I H <> S+ 0 0 0 -3,-2.3 4,-3.3 -6,-0.3 -1,-0.3 0.775 80.6 66.9 -61.6 -24.6 21.2 16.1 13.0 138 140 A A H <> S+ 0 0 0 -3,-1.7 4,-1.5 -4,-0.3 -1,-0.2 0.924 107.2 40.1 -58.2 -44.7 20.6 18.5 15.9 139 141 A D H <> S+ 0 0 75 -3,-0.7 4,-2.2 -4,-0.3 -2,-0.2 0.920 116.3 48.9 -66.9 -48.0 23.0 20.9 14.0 140 142 A W H X S+ 0 0 19 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.919 112.7 48.4 -58.7 -45.2 21.6 20.1 10.5 141 143 A F H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.860 110.1 51.9 -64.1 -37.7 18.1 20.6 11.7 142 144 A A H X S+ 0 0 4 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.869 109.9 48.9 -64.2 -41.5 19.0 23.9 13.4 143 145 A E H X S+ 0 0 72 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.919 113.7 46.9 -64.4 -44.6 20.6 25.2 10.1 144 146 A Y H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 3,-0.4 0.958 112.6 48.5 -59.8 -55.0 17.5 24.1 8.1 145 147 A S H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.921 108.4 56.0 -52.3 -43.6 15.1 25.7 10.6 146 148 A R H X S+ 0 0 96 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.836 104.8 52.0 -60.2 -38.0 17.1 29.0 10.6 147 149 A V H X S+ 0 0 24 -4,-1.5 4,-2.1 -3,-0.4 -1,-0.2 0.907 112.1 45.6 -62.5 -46.7 16.8 29.2 6.8 148 150 A L H X>S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 5,-0.6 0.906 114.3 48.0 -62.1 -45.9 13.0 28.9 7.1 149 151 A F H X5S+ 0 0 4 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.951 113.9 46.6 -61.3 -49.0 12.8 31.4 9.9 150 152 A E H <5S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 122.0 37.2 -61.5 -38.3 15.0 33.9 8.1 151 153 A N H <5S+ 0 0 52 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.839 134.5 16.1 -82.6 -39.9 13.1 33.5 4.9 152 154 A F H >X5S+ 0 0 0 -4,-3.2 4,-2.9 -5,-0.2 3,-2.0 0.534 95.2 92.3-114.0 -15.7 9.4 33.1 6.0 153 155 A G T 3< - 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