==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-11 3QOM . COMPND 2 MOLECULE: 6-PHOSPHO-BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM; . AUTHOR K.MICHALSKA,C.HATZOS-SKINTGES,J.BEARDEN,M.KOHLER,A.JOACHIMIA . 479 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 2 0 0 1 1 2 0 1 0 0 1 1 2 0 0 1 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 0 3 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 0 A A 0 0 156 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 55.8 52.2 39.3 52.9 2 1 A X - 0 0 161 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.454 360.0-114.4 -80.1 139.2 52.9 36.5 50.4 3 2 A T - 0 0 71 -2,-0.2 -1,-0.1 1,-0.1 476,-0.1 -0.291 6.9-147.4 -64.4 148.1 53.6 37.3 46.7 4 3 A I > + 0 0 8 2,-0.1 3,-1.9 473,-0.1 2,-0.2 0.549 68.7 111.5 -88.1 -7.6 51.2 36.2 44.0 5 4 A K T 3 S+ 0 0 119 1,-0.3 472,-0.2 472,-0.1 474,-0.1 -0.446 80.7 21.9 -65.1 132.2 54.2 35.7 41.7 6 5 A G T 3 S+ 0 0 59 470,-2.9 2,-0.5 1,-0.3 -1,-0.3 0.325 98.7 108.1 91.2 -6.2 54.6 32.0 41.0 7 6 A R < - 0 0 93 -3,-1.9 -1,-0.3 469,-0.5 471,-0.1 -0.898 59.2-145.3-105.4 129.5 51.0 31.1 41.9 8 7 A A - 0 0 40 -2,-0.5 467,-0.2 1,-0.2 466,-0.1 -0.380 20.3 -98.1 -86.1 165.0 48.8 30.2 38.9 9 8 A F - 0 0 6 465,-2.5 -1,-0.2 1,-0.2 3,-0.1 -0.257 66.1 -68.3 -63.5 169.5 45.2 30.7 38.3 10 9 A P > - 0 0 57 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 -0.213 57.2 -95.2 -62.4 153.9 43.0 27.7 39.1 11 10 A E T 3 S+ 0 0 185 1,-0.2 463,-0.0 -3,-0.1 0, 0.0 -0.449 111.1 32.3 -64.2 143.0 43.2 24.5 37.0 12 11 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.582 82.3 159.9 85.3 10.4 40.6 24.4 34.2 13 12 A F < - 0 0 10 -3,-1.1 2,-1.2 1,-0.1 -1,-0.3 -0.483 39.3-129.5 -69.1 132.6 40.6 28.2 33.7 14 13 A L E +a 420 0A 18 405,-2.4 407,-2.0 -2,-0.2 2,-0.3 -0.663 28.3 179.4 -94.1 94.4 39.3 29.3 30.3 15 14 A W E +a 421 0A 2 -2,-1.2 72,-2.9 405,-0.2 73,-1.2 -0.663 27.4 114.7 -79.7 142.6 41.7 31.7 28.6 16 15 A G E -b 88 0A 0 405,-1.8 2,-0.3 -2,-0.3 73,-0.2 -0.872 55.1 -87.5-173.9-153.5 40.5 32.9 25.2 17 16 A G E -b 89 0A 0 71,-0.9 73,-2.8 -2,-0.3 2,-0.4 -0.961 27.9-140.0-141.4 156.5 39.5 35.8 23.1 18 17 A A E +bc 90 424A 0 405,-2.5 407,-2.4 -2,-0.3 408,-0.9 -0.943 26.1 148.9-127.8 142.8 36.1 37.6 22.4 19 18 A V - 0 0 0 71,-2.7 2,-0.3 -2,-0.4 3,-0.1 -0.821 34.9-122.2-145.3-178.6 34.4 39.1 19.4 20 19 A A >> - 0 0 0 -2,-0.2 3,-1.5 71,-0.2 4,-0.9 -0.994 25.0-121.1-132.6 144.3 30.9 39.6 18.0 21 20 A A H >> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.3 3,-1.1 0.876 109.9 49.4 -48.0 -52.6 29.7 38.3 14.6 22 21 A H H 34 S+ 0 0 23 113,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.704 106.7 57.1 -67.8 -20.6 28.8 41.7 13.2 23 22 A Q H <4 S+ 0 0 6 -3,-1.5 407,-2.4 1,-0.1 -1,-0.3 0.660 126.3 10.4 -84.6 -16.7 32.1 43.3 14.1 24 23 A L H << S+ 0 0 0 -3,-1.1 46,-2.2 -4,-0.9 44,-0.9 0.638 108.3 73.9-130.6 -26.7 34.3 40.8 12.3 25 24 A E < - 0 0 3 -4,-2.6 46,-2.6 -5,-0.3 47,-0.4 0.887 57.8-179.4 -62.7 -45.3 32.5 38.4 9.9 26 25 A G + 0 0 5 -5,-0.4 40,-0.3 38,-0.3 -1,-0.1 -0.443 45.0 109.7 62.0-149.1 31.5 40.6 7.0 27 26 A G > + 0 0 3 1,-0.1 3,-1.5 39,-0.1 6,-0.2 0.907 44.7 173.1 51.3 44.0 29.6 38.6 4.4 28 27 A Y T 3 S+ 0 0 49 37,-1.8 -1,-0.1 1,-0.3 8,-0.1 0.656 75.3 26.4 -69.9 -15.0 26.6 40.6 5.5 29 28 A K T > S+ 0 0 103 36,-0.2 3,-0.8 6,-0.1 -1,-0.3 0.232 94.6 120.1-121.9 11.4 24.3 39.2 2.8 30 29 A E G X S+ 0 0 93 -3,-1.5 3,-1.7 1,-0.2 -4,-0.0 -0.411 74.7 14.4 -75.4 152.4 26.0 35.9 2.2 31 30 A G G 3 S- 0 0 35 1,-0.3 -1,-0.2 -2,-0.1 80,-0.2 0.752 133.7 -59.5 61.4 25.7 24.2 32.6 2.7 32 31 A G G < S+ 0 0 47 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.600 85.4 169.9 80.6 9.9 20.8 34.3 2.8 33 32 A K < - 0 0 12 -3,-1.7 64,-0.2 -6,-0.2 -1,-0.2 -0.246 26.7-130.7 -59.0 140.0 21.7 36.5 5.8 34 33 A G - 0 0 4 62,-2.3 2,-0.3 1,-0.1 62,-0.1 -0.420 29.4 -87.3 -83.7 164.9 19.2 39.2 6.6 35 34 A L - 0 0 36 -2,-0.1 105,-2.5 -6,-0.1 106,-0.5 -0.557 50.1-162.4 -71.4 129.7 19.9 42.9 7.2 36 35 A S B > -J 139 0B 1 -2,-0.3 3,-0.9 103,-0.3 4,-0.2 -0.601 35.0-102.8-106.6 173.0 20.7 43.5 10.9 37 36 A T G > S+ 0 0 1 101,-2.1 3,-0.7 1,-0.2 100,-0.1 0.734 121.5 59.7 -66.0 -21.5 20.7 46.6 13.0 38 37 A A G > S+ 0 0 2 1,-0.2 3,-1.1 100,-0.2 26,-0.3 0.798 96.2 62.7 -72.5 -27.0 24.5 46.6 12.7 39 38 A D G < S+ 0 0 3 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.429 97.3 56.2 -82.3 1.1 24.3 46.9 8.9 40 39 A I G < S+ 0 0 0 -3,-0.7 13,-2.6 -4,-0.2 2,-0.5 0.156 83.8 99.3-115.0 15.6 22.5 50.3 9.1 41 40 A X B < -K 52 0C 16 -3,-1.1 23,-0.4 11,-0.2 11,-0.2 -0.909 60.0-152.8-109.9 118.3 25.2 52.1 11.1 42 41 A T - 0 0 14 9,-2.5 2,-0.2 -2,-0.5 20,-0.2 -0.183 32.7 -73.7 -82.1 177.1 27.7 54.3 9.2 43 42 A L + 0 0 40 18,-1.2 392,-0.2 7,-0.1 2,-0.2 -0.533 57.9 163.6 -72.1 133.3 31.3 55.3 10.1 44 43 A G - 0 0 1 390,-3.3 2,-0.3 -2,-0.2 390,-0.1 -0.625 24.3-133.9-128.9-165.6 31.8 57.8 12.8 45 44 A T - 0 0 37 3,-2.6 5,-0.1 -2,-0.2 390,-0.0 -0.833 42.8 -85.5-140.9-179.4 34.5 59.1 15.1 46 45 A N S S+ 0 0 79 -2,-0.3 302,-0.0 1,-0.2 -1,-0.0 0.801 133.1 36.0 -61.5 -25.2 34.9 60.0 18.8 47 46 A E S S+ 0 0 158 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.680 116.1 53.5 -99.9 -22.8 33.5 63.4 17.9 48 47 A R S S- 0 0 133 386,-0.0 -3,-2.6 3,-0.0 -1,-0.2 -0.953 82.4-129.4-121.8 116.2 30.9 62.5 15.3 49 48 A P - 0 0 106 0, 0.0 385,-0.1 0, 0.0 2,-0.1 -0.209 27.7-101.9 -64.4 149.3 28.3 59.8 16.0 50 49 A R - 0 0 23 383,-0.6 2,-0.4 -6,-0.1 -6,-0.1 -0.433 41.3-119.9 -56.3 142.5 27.6 56.9 13.6 51 50 A E - 0 0 92 -8,-0.2 -9,-2.5 -2,-0.1 2,-0.7 -0.771 14.6-145.5 -89.5 136.0 24.5 57.6 11.6 52 51 A I B -K 41 0C 49 -2,-0.4 2,-0.2 -11,-0.2 -11,-0.2 -0.917 26.3-166.0 -99.3 112.7 21.6 55.1 11.9 53 52 A T - 0 0 6 -13,-2.6 2,-1.7 -2,-0.7 3,-0.0 -0.624 31.7-106.6-104.2 158.7 20.0 55.0 8.5 54 53 A D S S- 0 0 111 -2,-0.2 2,-0.1 2,-0.0 -2,-0.0 -0.636 89.7 -45.2 -83.5 85.8 16.7 53.5 7.4 55 54 A G S S- 0 0 12 -2,-1.7 2,-0.4 2,-0.1 -2,-0.1 -0.333 108.6 -26.6 77.1-171.7 18.1 50.5 5.7 56 55 A V - 0 0 69 -2,-0.1 2,-0.4 -3,-0.0 -16,-0.1 -0.644 62.3-154.1 -79.8 125.9 21.1 50.7 3.4 57 56 A V > - 0 0 56 -2,-0.4 3,-1.5 1,-0.1 -2,-0.1 -0.853 25.9-106.3-102.1 134.7 21.6 54.1 1.7 58 57 A A T 3 S+ 0 0 98 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.265 99.0 15.2 -59.0 138.3 23.5 54.3 -1.6 59 58 A G T 3 S+ 0 0 89 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.228 94.5 116.1 89.6 -16.8 26.9 55.8 -1.4 60 59 A K < - 0 0 89 -3,-1.5 2,-0.5 1,-0.0 -1,-0.3 -0.650 64.8-121.9 -87.7 147.4 27.5 55.6 2.4 61 60 A Y - 0 0 80 -2,-0.3 -18,-1.2 -3,-0.1 391,-0.0 -0.761 22.4-170.6 -92.4 122.4 30.1 53.4 3.9 62 61 A Y > - 0 0 7 -2,-0.5 3,-1.8 -20,-0.2 4,-0.5 -0.922 8.6-160.2-111.7 102.6 28.9 50.8 6.4 63 62 A P T 3> S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.771 86.6 59.8 -55.6 -27.5 32.0 49.2 8.1 64 63 A N T 34 S+ 0 0 4 -23,-0.4 -38,-0.3 -26,-0.3 -25,-0.1 0.657 85.4 77.6 -81.0 -10.6 30.0 46.1 9.2 65 64 A H T <4 S+ 0 0 17 -3,-1.8 -37,-1.8 1,-0.2 -1,-0.2 0.933 121.7 3.5 -64.0 -46.3 29.1 45.0 5.7 66 65 A Q T >4 S+ 0 0 123 -4,-0.5 3,-2.0 -3,-0.4 -2,-0.2 0.643 86.4 167.2-109.1 -22.2 32.6 43.6 4.9 67 66 A A T 3< S- 0 0 1 -4,-1.8 -43,-0.2 1,-0.3 -42,-0.1 -0.163 76.6 -35.9 40.9-125.9 34.3 44.1 8.4 68 67 A I T 3 S- 0 0 0 -44,-0.9 -1,-0.3 -4,-0.1 -43,-0.1 0.186 82.7-113.8-108.4 15.1 37.5 42.0 8.3 69 68 A D X> + 0 0 33 -3,-2.0 4,-2.3 1,-0.1 3,-1.4 0.779 61.2 152.1 61.5 33.2 36.0 39.2 6.2 70 69 A F H 3> + 0 0 0 -46,-2.2 4,-1.8 1,-0.3 -45,-0.2 0.781 62.3 77.1 -62.9 -22.2 36.3 36.5 8.9 71 70 A Y H 34 S+ 0 0 41 -46,-2.6 -1,-0.3 -47,-0.3 -45,-0.1 0.878 114.2 20.5 -54.8 -35.6 33.3 34.9 7.2 72 71 A H H <4 S+ 0 0 105 -3,-1.4 -2,-0.2 -47,-0.4 -1,-0.2 0.726 128.0 50.1 -98.1 -30.6 35.8 33.6 4.6 73 72 A R H >X S+ 0 0 82 -4,-2.3 4,-2.0 1,-0.2 3,-0.8 0.405 72.2 109.4 -96.8 2.1 39.1 33.9 6.6 74 73 A Y H 3X S+ 0 0 33 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.801 71.4 60.9 -52.5 -35.5 38.2 32.1 9.8 75 74 A P H 3> S+ 0 0 29 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.953 111.4 39.3 -59.6 -41.3 40.4 29.0 9.2 76 75 A E H <> S+ 0 0 108 -3,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.856 116.3 50.4 -75.7 -34.0 43.5 31.2 9.1 77 76 A D H X S+ 0 0 3 -4,-2.0 4,-1.9 2,-0.2 3,-0.2 0.922 109.2 51.9 -68.4 -40.3 42.4 33.4 12.0 78 77 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.869 102.7 59.6 -64.6 -36.5 41.6 30.4 14.1 79 78 A E H X S+ 0 0 112 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.910 106.1 48.9 -55.5 -39.7 45.1 29.0 13.4 80 79 A L H X S+ 0 0 30 -4,-1.3 4,-1.9 -3,-0.2 -2,-0.2 0.891 109.4 50.8 -67.3 -40.8 46.4 32.2 15.0 81 80 A F H X>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 4,-1.0 0.906 110.7 49.4 -60.8 -40.7 44.1 31.8 18.0 82 81 A A H <5S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.864 106.8 55.5 -68.2 -34.2 45.3 28.2 18.4 83 82 A E H <5S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.891 106.9 49.9 -64.6 -38.8 49.0 29.4 18.2 84 83 A X H <5S- 0 0 2 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.767 120.2-117.0 -67.6 -24.7 48.3 31.8 21.1 85 84 A G T <5 - 0 0 26 -4,-1.0 -3,-0.2 1,-0.2 -70,-0.1 0.680 42.7-177.3 96.4 22.1 46.8 28.8 22.9 86 85 A F < - 0 0 7 -5,-2.1 -70,-0.2 1,-0.2 -1,-0.2 -0.217 19.2-165.5 -51.1 139.7 43.2 29.8 23.4 87 86 A K S S+ 0 0 103 -72,-2.9 41,-2.5 1,-0.2 2,-0.3 0.585 76.4 14.8 -92.9 -24.4 41.0 27.4 25.3 88 87 A C E -bd 16 128A 0 -73,-1.2 -71,-0.9 39,-0.3 2,-0.4 -0.968 60.4-146.7-147.9 162.2 37.8 29.1 24.2 89 88 A F E -bd 17 129A 0 39,-2.1 41,-2.5 -2,-0.3 2,-0.7 -0.971 16.2-152.7-136.5 118.3 36.6 31.6 21.6 90 89 A R E +bd 18 130A 0 -73,-2.8 -71,-2.7 -2,-0.4 2,-0.3 -0.840 35.3 137.6-100.1 115.2 33.7 33.9 22.6 91 90 A T E - d 0 131A 0 39,-2.3 41,-2.0 -2,-0.7 2,-0.3 -0.870 45.1-107.9-142.8 178.1 31.5 35.0 19.7 92 91 A S E - d 0 132A 0 -2,-0.3 2,-0.7 39,-0.2 41,-0.2 -0.788 20.1-125.5-107.8 155.2 27.9 35.5 18.8 93 92 A I - 0 0 0 39,-1.4 2,-0.5 -2,-0.3 42,-0.1 -0.907 39.5-117.3 -93.5 117.5 25.6 33.6 16.5 94 93 A A >> - 0 0 2 -2,-0.7 3,-1.9 1,-0.2 4,-0.9 -0.421 17.2-151.2 -60.4 112.3 24.3 36.2 14.1 95 94 A W H >> S+ 0 0 4 -2,-0.5 4,-3.0 1,-0.3 3,-1.0 0.887 95.3 55.7 -51.5 -41.5 20.6 36.3 14.6 96 95 A T H 34 S+ 0 0 0 41,-0.6 -62,-2.3 1,-0.3 -1,-0.3 0.627 100.1 58.5 -74.9 -10.8 20.1 37.4 10.9 97 96 A R H <4 S+ 0 0 6 -3,-1.9 14,-0.4 -64,-0.2 -1,-0.3 0.749 117.4 33.1 -80.4 -21.7 22.0 34.3 9.6 98 97 A I H << S+ 0 0 0 -3,-1.0 10,-2.3 -4,-0.9 -2,-0.2 0.854 138.9 16.2-100.5 -43.1 19.5 32.0 11.3 99 98 A F S < S- 0 0 4 -4,-3.0 -1,-0.2 8,-0.2 -2,-0.1 -0.815 72.0-170.7-131.0 87.1 16.3 34.1 11.1 100 99 A P S S+ 0 0 17 0, 0.0 41,-0.4 0, 0.0 40,-0.2 0.848 89.2 20.9 -54.0 -42.3 16.9 36.7 8.4 101 100 A N S S- 0 0 77 -67,-0.1 41,-0.1 40,-0.1 -5,-0.1 0.645 104.0-126.7 -98.5 -19.0 13.7 38.7 9.1 102 101 A G S S+ 0 0 0 -7,-0.1 59,-0.1 39,-0.1 58,-0.1 -0.003 93.2 71.3 103.7 -28.2 13.2 37.3 12.6 103 102 A D + 0 0 49 57,-0.0 -4,-0.0 3,-0.0 54,-0.0 0.229 64.2 131.0-111.5 16.4 9.6 36.1 12.3 104 103 A E - 0 0 47 1,-0.1 56,-0.0 2,-0.1 0, 0.0 -0.263 57.8-135.3 -66.5 155.4 10.1 33.0 10.0 105 104 A S S S+ 0 0 113 1,-0.1 -1,-0.1 2,-0.1 -6,-0.0 0.441 89.8 32.3 -88.8 -5.1 8.6 29.7 10.9 106 105 A E S S- 0 0 147 -8,-0.1 -1,-0.1 58,-0.0 -2,-0.1 -0.985 86.3-110.2-150.1 147.8 11.8 27.8 10.1 107 106 A P - 0 0 41 0, 0.0 2,-0.7 0, 0.0 -8,-0.2 -0.261 34.6 -98.8 -78.9 168.8 15.5 28.6 10.3 108 107 A N > - 0 0 37 -10,-2.3 4,-2.1 1,-0.2 3,-0.3 -0.782 26.3-157.4 -89.5 113.7 18.0 29.3 7.5 109 108 A E H > S+ 0 0 104 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.859 90.1 56.5 -62.7 -39.4 20.1 26.2 6.9 110 109 A A H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 108.5 49.1 -63.2 -34.1 23.0 27.9 5.3 111 110 A G H > S+ 0 0 3 -14,-0.4 4,-1.8 -3,-0.3 -2,-0.2 0.932 111.0 48.9 -67.5 -43.6 23.4 30.1 8.4 112 111 A L H X S+ 0 0 5 -4,-2.1 4,-2.1 -15,-0.2 -2,-0.2 0.898 110.5 51.9 -62.7 -37.4 23.2 27.0 10.7 113 112 A Q H X S+ 0 0 76 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.873 102.9 58.7 -68.5 -34.6 25.8 25.3 8.5 114 113 A F H X S+ 0 0 12 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.945 108.8 44.1 -58.1 -48.0 28.2 28.3 8.7 115 114 A Y H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.862 110.0 55.4 -70.6 -32.1 28.3 28.0 12.5 116 115 A D H X S+ 0 0 16 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.953 112.2 44.8 -57.9 -45.6 28.7 24.2 12.3 117 116 A D H X S+ 0 0 62 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.920 115.9 46.0 -64.7 -41.9 31.7 24.9 10.1 118 117 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.939 115.4 44.8 -66.9 -48.6 33.1 27.7 12.4 119 118 A F H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.871 111.4 53.9 -66.5 -36.4 32.6 25.7 15.6 120 119 A D H X S+ 0 0 72 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.877 106.6 52.5 -62.5 -39.1 34.1 22.6 14.0 121 120 A E H X S+ 0 0 42 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.905 111.3 46.9 -64.4 -41.7 37.1 24.6 13.1 122 121 A C H ><>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 3,-1.1 0.964 113.6 47.3 -59.0 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4,-0.5 0.757 93.6 76.2 -53.5 -30.3 5.9 41.6 23.5 153 152 A K H 3> S+ 0 0 103 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.729 79.4 71.9 -57.1 -24.4 5.9 39.5 20.3 154 153 A L H <> S+ 0 0 0 -3,-2.1 4,-2.7 -6,-0.2 -1,-0.3 0.759 82.3 70.3 -67.3 -20.8 9.7 39.6 20.3 155 154 A I H <> S+ 0 0 18 -3,-1.9 4,-2.5 -4,-0.2 -1,-0.2 0.974 104.5 39.9 -57.8 -52.3 9.9 37.3 23.3 156 155 A Q H X S+ 0 0 106 -4,-0.5 4,-2.3 -3,-0.3 -1,-0.2 0.879 112.8 54.8 -67.9 -35.1 8.7 34.4 21.2 157 156 A F H X S+ 0 0 18 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.931 110.4 47.0 -62.4 -44.6 10.7 35.4 18.1 158 157 A Y H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.921 111.0 51.7 -59.6 -44.6 13.9 35.4 20.3 159 158 A L H X S+ 0 0 21 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.831 104.5 56.2 -65.0 -31.9 12.9 32.0 21.8 160 159 A N H X S+ 0 0 52 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.926 112.2 43.8 -62.0 -43.2 12.4 30.5 18.3 161 160 A F H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.933 113.6 49.9 -63.5 -50.2 16.0 31.6 17.5 162 161 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.923 109.1 52.1 -58.3 -44.9 17.4 30.3 20.9 163 162 A K H X S+ 0 0 89 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.916 108.7 49.8 -59.2 -45.7 15.7 26.9 20.5 164 163 A V H X S+ 0 0 27 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.927 114.6 44.3 -59.5 -45.1 17.2 26.3 17.1 165 164 A C H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.925 111.5 51.8 -68.1 -48.1 20.7 27.2 18.3 166 165 A F H < S+ 0 0 0 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.913 116.0 42.2 -55.4 -44.5 20.6 25.3 21.5 167 166 A E H >< S+ 0 0 72 -4,-2.2 3,-1.0 -5,-0.3 -2,-0.2 0.939 115.4 47.6 -70.1 -45.0 19.4 22.1 19.6 168 167 A R H 3< S+ 0 0 74 -4,-2.6 3,-0.3 -5,-0.2 -2,-0.2 0.896 123.5 31.8 -65.6 -37.7 21.8 22.5 16.7 169 168 A Y T >X S+ 0 0 0 -4,-2.5 3,-1.9 -5,-0.2 4,-1.9 0.131 79.2 123.9-109.7 22.6 24.9 23.1 18.8 170 169 A R T <4 S+ 0 0 93 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.669 82.2 38.0 -59.4 -22.5 23.9 21.0 21.9 171 170 A D T 34 S+ 0 0 150 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.355 118.5 49.1-109.2 3.3 27.1 18.9 21.7 172 171 A K T <4 S+ 0 0 50 -3,-1.9 2,-0.4 1,-0.2 -2,-0.2 0.640 104.9 49.5-112.0 -25.0 29.5 21.7 20.7 173 172 A V < + 0 0 2 -4,-1.9 -1,-0.2 -7,-0.1 -43,-0.1 -0.983 42.2 167.8-129.6 128.7 28.8 24.6 23.1 174 173 A T + 0 0 58 -45,-0.6 64,-2.7 -2,-0.4 2,-0.5 0.795 68.8 59.0-100.6 -45.4 28.6 24.5 26.9 175 174 A Y E + f 0 238A 46 -46,-0.4 -44,-2.2 62,-0.2 2,-0.3 -0.801 63.3 168.1 -98.9 125.1 28.7 28.2 27.8 176 175 A W E -ef 131 239A 0 62,-2.5 64,-3.1 -2,-0.5 2,-0.3 -0.907 18.0-160.7-128.1 153.7 25.9 30.5 26.5 177 176 A X E -ef 132 240A 0 -46,-2.3 -44,-2.4 -2,-0.3 -43,-0.2 -0.979 8.8-151.3-133.1 149.1 24.8 34.0 27.3 178 177 A T E S+ 0 0 0 62,-1.6 -44,-1.7 -2,-0.3 2,-0.5 0.961 75.2 14.5 -85.8 -58.7 21.4 35.5 26.4 179 178 A F E > S-e 134 0A 6 61,-0.2 3,-1.0 -46,-0.2 63,-0.5 -0.938 74.1-129.7-129.5 109.7 21.7 39.3 25.9 180 179 A N T 3 S- 0 0 3 -46,-3.0 -44,-0.2 -2,-0.5 63,-0.1 -0.322 85.4 -17.5 -56.5 133.6 25.0 41.1 25.5 181 180 A E T > S+ 0 0 20 1,-0.2 3,-2.0 2,-0.1 4,-0.3 0.871 76.4 179.6 34.9 60.0 25.5 44.1 27.7 182 181 A I G X S+ 0 0 0 60,-1.7 3,-0.5 -3,-1.0 -1,-0.2 0.749 72.2 59.0 -61.0 -25.9 21.8 44.2 28.4 183 182 A N G > S+ 0 0 0 59,-0.3 3,-1.9 1,-0.2 -1,-0.3 0.348 70.4 96.5 -91.4 5.5 22.3 47.2 30.7 184 183 A N G X S+ 0 0 31 -3,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.886 76.4 68.1 -58.2 -35.0 23.9 49.6 28.2 185 184 A Q G < + 0 0 0 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.486 65.2 98.3 -69.6 -0.2 20.5 51.1 27.8 186 185 A T G < S+ 0 0 3 -3,-1.9 2,-1.6 1,-0.2 147,-0.3 0.891 77.6 66.9 -43.8 -41.3 20.7 52.4 31.4 187 186 A N S X S+ 0 0 18 -3,-1.9 3,-1.5 -4,-0.2 -1,-0.2 -0.692 72.8 176.0 -81.0 85.1 21.6 55.4 29.3 188 187 A F T 3 S+ 0 0 20 -2,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.577 73.5 62.3 -73.7 -9.9 18.1 55.7 27.8 189 188 A E T 3 S+ 0 0 64 -3,-0.1 2,-0.8 20,-0.0 -1,-0.3 0.489 80.2 101.3 -88.2 -4.3 19.1 58.9 25.9 190 189 A S <> - 0 0 36 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 -0.715 57.3-162.4 -87.2 113.8 21.8 57.0 23.9 191 190 A D H > S+ 0 0 97 -2,-0.8 4,-2.1 1,-0.2 5,-0.2 0.878 92.2 52.1 -61.1 -38.9 20.6 56.3 20.4 192 191 A G H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.924 109.6 46.5 -63.9 -46.9 23.3 53.7 20.1 193 192 A A H >>S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.902 112.3 51.5 -61.0 -41.5 22.4 51.8 23.3 194 193 A X H X5S+ 0 0 11 -4,-2.4 6,-2.1 -7,-0.2 4,-1.2 0.896 114.9 41.3 -67.3 -37.3 18.7 51.9 22.4 195 194 A L H X5S+ 0 0 0 -4,-2.1 4,-1.9 4,-0.3 -2,-0.2 0.955 118.8 44.3 -72.6 -47.5 19.2 50.4 18.9 196 195 A T H <5S+ 0 0 25 -4,-2.5 -60,-0.4 -5,-0.2 -58,-0.2 0.922 124.0 32.0 -69.5 -46.2 21.9 47.8 19.9 197 196 A D H <5S+ 0 0 12 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.2 0.893 139.9 10.1 -72.3 -40.8 20.2 46.5 23.0 198 197 A S H < - 0 0 105 1,-0.1 3,-2.3 0, 0.0 -1,-0.1 -0.887 35.8 -91.6-105.1 138.3 9.8 58.3 17.8 204 203 A P T 3 S+ 0 0 133 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.183 110.4 16.4 -52.6 134.6 8.9 61.9 18.4 205 204 A G T 3 S+ 0 0 84 1,-0.3 2,-0.1 -3,-0.0 -3,-0.0 0.192 91.5 135.5 91.9 -18.4 7.0 62.4 21.7 206 205 A E < - 0 0 33 -3,-2.3 2,-0.9 1,-0.1 -1,-0.3 -0.345 62.1-119.2 -66.7 146.6 8.0 59.0 23.2 207 206 A N > - 0 0 76 1,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.775 26.7-162.1 -83.5 105.7 9.1 58.7 26.8 208 207 A R H > S+ 0 0 95 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.897 85.6 46.4 -59.7 -47.0 12.6 57.3 26.3 209 208 A E H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 111.1 52.4 -64.3 -45.0 13.0 56.0 29.8 210 209 A R H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.933 111.5 45.3 -55.5 -48.8 9.6 54.4 29.9 211 210 A W H X S+ 0 0 69 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.838 107.8 58.1 -69.6 -33.2 10.2 52.5 26.7 212 211 A X H X S+ 0 0 1 -4,-1.9 4,-3.0 -5,-0.2 5,-0.3 0.959 108.4 46.4 -56.2 -50.3 13.6 51.4 27.8 213 212 A Y H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.873 111.9 51.1 -64.5 -34.5 12.2 49.7 30.9 214 213 A Q H X S+ 0 0 3 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.929 113.7 43.7 -64.5 -48.2 9.4 48.1 28.8 215 214 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.919 113.0 50.9 -62.0 -47.4 11.9 46.7 26.4 216 215 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.870 107.6 55.7 -58.6 -38.8 14.3 45.6 29.0 217 216 A H H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 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