==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAR-09 3GH5 . COMPND 2 MOLECULE: BETA-HEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS SP.; . AUTHOR T.SUMIDA,R.ISHII,T.YANAGISAWA,S.YOKOYAMA,M.ITO,RIKEN STRUCTU . 507 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 4.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 36 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 0 1 0 1 0 2 0 1 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 2 0 1 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 0 0 0 0 1 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 -16 A H 0 0 216 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.9 25.9 46.8 67.0 2 -15 A H + 0 0 190 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.837 360.0 177.6-108.2 137.4 28.2 43.8 67.5 3 -14 A H + 0 0 168 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.925 3.2 177.0-135.5 157.3 28.5 40.9 65.0 4 -13 A H - 0 0 141 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 -0.988 23.8-124.9-154.8 160.3 30.5 37.7 64.6 5 -12 A S - 0 0 111 -2,-0.3 2,-0.2 1,-0.0 -2,-0.0 -0.698 42.2 -93.9-100.1 161.8 31.0 34.6 62.5 6 -11 A S - 0 0 29 -2,-0.3 2,-0.2 1,-0.0 3,-0.1 -0.541 34.9-172.3 -81.4 136.8 30.8 31.0 63.8 7 -10 A G - 0 0 52 -2,-0.2 -1,-0.0 1,-0.2 2,-0.0 -0.518 46.2 -62.2-106.3-176.2 33.8 28.9 65.0 8 -9 A L - 0 0 99 -2,-0.2 499,-0.2 1,-0.1 -1,-0.2 -0.329 61.8 -99.9 -65.1 151.5 33.8 25.3 66.0 9 -8 A V > - 0 0 18 497,-2.9 3,-1.9 1,-0.1 -1,-0.1 -0.591 38.8-111.3 -75.1 127.8 31.6 24.3 68.9 10 -7 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.369 101.9 14.7 -56.8 136.5 33.4 23.9 72.2 11 -6 A R T 3 S- 0 0 254 -3,-0.0 2,-0.1 -2,-0.0 -2,-0.0 0.533 127.0 -71.4 73.8 9.2 33.5 20.2 73.2 12 -5 A G S < S- 0 0 32 -3,-1.9 493,-0.1 494,-0.2 4,-0.1 -0.221 77.3 -20.9 107.4 174.0 32.5 18.9 69.8 13 -4 A S > - 0 0 9 491,-0.3 3,-1.2 1,-0.2 4,-0.3 -0.245 41.0-142.8 -57.3 135.9 29.5 18.7 67.4 14 -3 A H T 3> S+ 0 0 62 494,-3.0 4,-2.3 491,-0.3 3,-0.3 0.691 102.7 70.7 -65.3 -21.3 26.0 19.1 68.8 15 -2 A M T 34 S+ 0 0 4 493,-0.8 -1,-0.3 490,-0.4 -2,-0.1 0.351 102.8 44.3 -76.8 6.9 25.1 16.4 66.2 16 -1 A A T <4 S+ 0 0 76 -3,-1.2 -1,-0.2 489,-0.1 -2,-0.2 0.947 124.4 30.1 -83.0 -55.5 27.1 14.0 68.5 17 0 A S T 4 0 0 83 -4,-0.3 -2,-0.2 -3,-0.3 -3,-0.1 -0.144 360.0 360.0 152.8 -66.6 25.9 15.0 71.4 18 1 A M < 0 0 107 -4,-2.3 -3,-0.1 471,-0.1 -4,-0.1 0.720 360.0 360.0 -73.6 360.0 22.3 16.4 71.7 19 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 20 14 A S 0 0 119 0, 0.0 134,-0.1 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 -32.8 5.9 19.5 70.2 21 15 A Q - 0 0 104 115,-0.1 118,-0.2 469,-0.0 116,-0.0 -0.639 360.0-171.9-128.7 80.0 9.2 20.2 68.4 22 16 A P - 0 0 18 0, 0.0 114,-0.2 0, 0.0 2,-0.2 -0.244 9.6-156.5 -56.6 151.7 8.8 20.4 64.6 23 17 A S - 0 0 3 112,-2.5 2,-0.5 114,-0.2 113,-0.1 -0.646 13.4-174.8-136.8 79.3 12.0 20.6 62.6 24 18 A I - 0 0 8 -2,-0.2 108,-0.1 112,-0.1 170,-0.1 -0.647 8.3-158.4 -86.7 122.3 11.2 22.2 59.2 25 19 A L S S+ 0 0 1 -2,-0.5 2,-0.2 168,-0.2 -2,-0.1 -0.963 76.8 39.0-146.5 122.0 14.0 22.3 56.7 26 20 A P S S- 0 0 0 0, 0.0 -1,-0.1 0, 0.0 444,-0.1 0.516 106.7-110.1 -68.3 159.0 14.2 24.2 54.5 27 21 A K - 0 0 53 -2,-0.2 448,-0.1 1,-0.1 -2,-0.1 -0.401 35.6-130.5 -59.8 126.3 12.7 27.1 56.4 28 22 A P - 0 0 11 0, 0.0 133,-0.2 0, 0.0 3,-0.1 -0.361 20.4-107.2 -79.4 163.1 9.2 27.9 55.2 29 23 A V S S+ 0 0 78 131,-0.2 2,-0.3 1,-0.2 132,-0.2 0.885 101.9 4.1 -55.9 -41.5 8.0 31.4 54.2 30 24 A S E +A 160 0A 43 130,-2.1 130,-1.4 2,-0.0 2,-0.3 -0.997 60.8 173.1-148.6 145.6 5.9 31.5 57.4 31 25 A Y E +A 159 0A 85 -2,-0.3 2,-0.3 128,-0.2 128,-0.2 -0.908 8.0 170.7-151.6 116.7 5.3 29.3 60.4 32 26 A T E -A 158 0A 88 126,-2.3 126,-2.6 -2,-0.3 2,-0.4 -0.971 18.3-147.7-129.3 149.3 3.2 30.3 63.5 33 27 A V E -A 157 0A 82 -2,-0.3 124,-0.3 124,-0.2 2,-0.2 -0.957 13.7-173.2-119.3 133.1 2.1 28.1 66.3 34 28 A G E - 0 0 40 122,-2.5 122,-0.3 -2,-0.4 2,-0.1 -0.467 38.8 -69.0-109.6-173.9 -1.1 28.5 68.3 35 29 A S E S+ 0 0 112 -2,-0.2 -1,-0.1 120,-0.1 2,-0.1 -0.461 92.4 25.0 -80.0 150.7 -2.5 26.8 71.4 36 30 A G E S- 0 0 50 -2,-0.1 120,-2.1 120,-0.1 2,-0.3 -0.250 70.9-113.9 92.6-179.4 -3.5 23.1 71.4 37 31 A Q E -A 155 0A 78 118,-0.3 2,-0.4 -2,-0.1 75,-0.0 -0.991 6.6-123.2-155.4 157.3 -2.5 20.1 69.3 38 32 A F E -A 154 0A 0 116,-3.1 116,-2.3 -2,-0.3 2,-0.5 -0.845 25.1-150.2 -99.0 140.5 -3.6 17.6 66.7 39 33 A V E -A 153 0A 46 74,-0.6 2,-0.7 -2,-0.4 114,-0.2 -0.968 4.5-146.6-115.6 120.4 -3.2 13.9 67.6 40 34 A L - 0 0 1 112,-3.3 112,-0.4 -2,-0.5 2,-0.2 -0.771 29.7-178.7 -81.0 115.7 -2.6 11.3 64.8 41 35 A T > - 0 0 59 -2,-0.7 3,-2.1 48,-0.3 33,-0.0 -0.669 43.7 -97.7-115.3 171.0 -4.3 8.1 66.0 42 36 A K T 3 S+ 0 0 140 1,-0.3 35,-0.5 -2,-0.2 -2,-0.0 0.674 120.9 56.8 -61.4 -18.7 -4.7 4.6 64.6 43 37 A N T 3 S+ 0 0 126 33,-0.1 -1,-0.3 35,-0.1 -3,-0.0 0.472 79.8 123.2 -93.2 -4.1 -8.2 5.5 63.2 44 38 A A < - 0 0 7 -3,-2.1 35,-0.5 46,-0.1 2,-0.3 -0.225 40.6-166.1 -59.6 142.5 -7.0 8.5 61.1 45 39 A S - 0 0 25 33,-0.2 46,-2.2 42,-0.1 2,-0.6 -0.888 20.3-126.5-121.0 159.7 -7.6 8.6 57.3 46 40 A I E -bc 80 91A 0 33,-2.7 35,-2.7 -2,-0.3 2,-0.4 -0.953 25.9-160.0-103.4 120.0 -6.2 10.8 54.6 47 41 A F E -bc 81 92A 19 44,-3.1 46,-2.9 -2,-0.6 2,-0.4 -0.833 6.6-165.6 -98.6 139.9 -8.9 12.6 52.6 48 42 A V E +bc 82 93A 0 33,-2.5 35,-1.2 -2,-0.4 2,-0.3 -0.979 12.0 171.1-128.9 142.0 -8.1 14.0 49.2 49 43 A A E + c 0 94A 10 44,-2.0 46,-1.5 -2,-0.4 47,-0.6 -0.894 3.5 177.1-153.5 117.7 -10.0 16.4 46.9 50 44 A G - 0 0 13 -2,-0.3 46,-0.1 2,-0.2 6,-0.1 -0.460 47.1 -95.1-107.7-174.2 -9.0 18.1 43.7 51 45 A N S S+ 0 0 95 -2,-0.2 2,-0.3 44,-0.1 3,-0.0 0.629 106.2 7.9 -80.2 -13.4 -10.8 20.4 41.3 52 46 A N S > S- 0 0 98 1,-0.0 4,-2.6 0, 0.0 -2,-0.2 -0.935 89.1 -92.6-155.9 170.6 -11.8 17.5 39.0 53 47 A V H > S+ 0 0 122 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.877 122.1 53.9 -61.6 -36.9 -11.7 13.7 39.1 54 48 A G H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 111.2 45.3 -62.4 -44.1 -8.4 13.5 37.3 55 49 A E H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.914 110.9 53.3 -67.4 -41.0 -6.8 15.8 39.8 56 50 A T H X S+ 0 0 22 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.891 106.2 54.1 -59.3 -38.3 -8.4 13.9 42.7 57 51 A D H X S+ 0 0 74 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.907 108.7 48.3 -64.3 -40.0 -6.9 10.7 41.3 58 52 A E H X S+ 0 0 78 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.910 111.2 50.0 -65.0 -42.2 -3.4 12.3 41.3 59 53 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.867 104.5 59.9 -61.9 -37.6 -3.9 13.5 44.9 60 54 A F H X S+ 0 0 45 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.916 104.7 48.4 -56.3 -46.4 -5.0 10.0 45.8 61 55 A N H X S+ 0 0 101 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.908 112.1 48.6 -60.3 -43.0 -1.6 8.7 44.7 62 56 A I H X S+ 0 0 8 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.917 110.6 52.1 -61.6 -43.8 0.2 11.4 46.8 63 57 A G H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.893 107.4 51.8 -58.7 -42.8 -2.0 10.5 49.7 64 58 A Q H X S+ 0 0 98 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.868 107.4 52.4 -63.5 -37.6 -1.1 6.8 49.4 65 59 A A H X S+ 0 0 47 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.905 112.4 46.1 -63.4 -42.4 2.7 7.8 49.4 66 60 A L H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.930 110.3 52.7 -64.5 -48.1 2.1 9.7 52.6 67 61 A A H X S+ 0 0 6 -4,-2.8 4,-2.9 1,-0.2 11,-0.3 0.902 107.4 53.0 -54.8 -45.3 0.0 6.9 54.2 68 62 A K H X S+ 0 0 162 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.921 111.3 45.4 -56.5 -48.1 2.9 4.5 53.5 69 63 A K H X S+ 0 0 65 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.916 115.9 45.7 -63.3 -46.6 5.4 6.7 55.3 70 64 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 6,-0.4 0.877 111.6 52.9 -64.4 -39.1 3.2 7.4 58.3 71 65 A N H X S+ 0 0 33 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.823 99.9 62.5 -64.5 -34.5 2.3 3.7 58.5 72 66 A A H < S+ 0 0 36 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.875 116.4 27.6 -63.5 -39.0 5.9 2.6 58.6 73 67 A S H < S+ 0 0 0 -4,-1.0 74,-3.3 68,-0.3 -1,-0.2 0.797 126.0 43.5 -93.8 -34.8 6.7 4.4 61.9 74 68 A T H < S- 0 0 10 -4,-2.1 -3,-0.2 72,-0.2 -2,-0.2 0.755 94.2-134.2 -81.8 -25.3 3.3 4.5 63.6 75 69 A G < + 0 0 42 -4,-1.9 -4,-0.1 -5,-0.3 -3,-0.1 0.544 62.9 132.4 75.5 8.7 2.4 0.9 62.8 76 70 A Y - 0 0 57 -6,-0.4 -1,-0.3 -5,-0.1 2,-0.2 -0.296 61.1-133.6 -80.2 170.9 -1.0 2.2 61.8 77 71 A T - 0 0 125 -35,-0.5 2,-0.3 -3,-0.1 -9,-0.1 -0.633 31.3-178.5-123.2 70.5 -2.9 1.4 58.6 78 72 A I - 0 0 6 -11,-0.3 2,-0.2 -2,-0.2 -33,-0.2 -0.559 10.1-158.6 -68.0 128.5 -4.0 4.8 57.5 79 73 A S - 0 0 65 -35,-0.5 -33,-2.7 -2,-0.3 2,-0.4 -0.679 12.1-119.9-110.1 165.2 -6.1 4.6 54.3 80 74 A V E -b 46 0A 19 -2,-0.2 2,-0.4 -35,-0.2 -33,-0.2 -0.875 23.8-167.8-113.5 138.3 -6.9 7.2 51.7 81 75 A V E -b 47 0A 50 -35,-2.7 -33,-2.5 -2,-0.4 2,-1.1 -0.979 22.8-133.7-129.5 133.3 -10.4 8.4 50.8 82 76 A K E +b 48 0A 111 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.766 65.1 109.8 -87.4 97.0 -11.6 10.4 47.9 83 77 A S - 0 0 31 -35,-1.2 -2,-0.1 -2,-1.1 -35,-0.0 -0.953 62.9-144.8-166.6 144.8 -13.8 12.9 49.6 84 78 A N S S+ 0 0 104 -2,-0.3 -35,-0.1 1,-0.2 -2,-0.0 0.090 87.0 83.7 -98.9 21.6 -14.0 16.6 50.6 85 79 A Q - 0 0 151 2,-0.0 -1,-0.2 0, 0.0 7,-0.0 -0.470 66.7-171.5-120.7 62.2 -15.7 15.8 53.9 86 80 A P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 6,-0.1 -0.188 15.1-133.2 -60.8 149.5 -12.9 14.9 56.2 87 81 A T > - 0 0 89 1,-0.1 3,-1.8 4,-0.1 -42,-0.1 -0.517 39.3 -73.6 -98.6 158.8 -13.7 13.5 59.6 88 82 A A T 3 S+ 0 0 74 1,-0.3 27,-0.2 -2,-0.2 -1,-0.1 -0.345 123.4 28.0 -56.2 134.5 -12.3 14.6 63.0 89 83 A G T 3 S+ 0 0 18 25,-3.8 -48,-0.3 1,-0.3 -1,-0.3 0.414 97.4 131.8 92.4 1.7 -8.7 13.3 63.3 90 84 A S E < - d 0 115A 0 -3,-1.8 26,-2.1 24,-0.6 2,-0.5 -0.440 56.6-134.6 -85.0 154.1 -8.2 13.3 59.5 91 85 A I E -cd 46 116A 2 -46,-2.2 -44,-3.1 24,-0.2 2,-0.5 -0.938 27.3-159.4 -97.0 133.8 -5.4 14.6 57.3 92 86 A Y E -cd 47 117A 28 24,-3.2 26,-3.1 -2,-0.5 2,-0.5 -0.972 10.3-170.7-123.1 122.3 -6.9 16.5 54.4 93 87 A L E +cd 48 118A 0 -46,-2.9 -44,-2.0 -2,-0.5 2,-0.3 -0.956 19.8 161.8-114.3 121.9 -5.1 17.2 51.1 94 88 A T E -cd 49 119A 6 24,-2.9 26,-2.4 -2,-0.5 -44,-0.2 -0.989 40.5-168.7-143.7 148.5 -6.7 19.6 48.6 95 89 A T > + 0 0 2 -46,-1.5 3,-1.1 -2,-0.3 2,-0.8 0.212 58.3 119.8-109.1 7.5 -6.1 21.7 45.6 96 90 A V T 3 S- 0 0 73 -47,-0.6 25,-0.1 1,-0.3 -2,-0.0 -0.664 88.3 -0.5 -80.6 109.9 -9.5 23.4 45.8 97 91 A G T 3 S+ 0 0 67 -2,-0.8 -1,-0.3 1,-0.2 24,-0.1 0.679 85.5 179.4 86.0 21.7 -8.9 27.1 46.3 98 92 A G < - 0 0 20 -3,-1.1 2,-0.9 22,-0.5 -1,-0.2 -0.130 39.0-106.4 -47.6 144.4 -5.1 27.2 46.3 99 93 A N > - 0 0 81 20,-0.2 3,-2.4 1,-0.2 4,-0.2 -0.717 28.1-154.2 -77.5 105.9 -3.4 30.6 46.7 100 94 A A G > S+ 0 0 82 -2,-0.9 3,-1.8 1,-0.3 -1,-0.2 0.751 87.8 70.1 -56.1 -27.4 -2.1 31.2 43.2 101 95 A A G 3 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.705 90.0 63.4 -64.9 -18.9 0.6 33.5 44.5 102 96 A L G <> S- 0 0 20 -3,-2.4 4,-0.8 1,-0.2 3,-0.3 0.547 97.5-152.4 -84.7 -6.9 2.3 30.4 46.0 103 97 A G T X4 - 0 0 30 -3,-1.8 3,-0.5 -4,-0.2 18,-0.5 -0.026 41.6 -40.9 67.5-170.4 2.8 28.9 42.5 104 98 A N T 34 S+ 0 0 94 1,-0.2 21,-0.7 17,-0.1 18,-0.3 0.799 140.6 36.8 -62.9 -31.7 3.1 25.2 41.4 105 99 A E T 34 S+ 0 0 12 -3,-0.3 -1,-0.2 19,-0.1 -2,-0.2 0.495 97.7 100.6-103.0 -5.7 5.2 24.2 44.4 106 100 A G << + 0 0 0 -4,-0.8 15,-0.7 -3,-0.5 16,-0.4 -0.283 43.3 167.9 -83.4 165.8 3.6 26.3 47.1 107 101 A Y E -EF 120 161A 0 54,-2.1 54,-2.1 13,-0.2 2,-0.4 -0.985 32.7-127.0-165.7 156.7 1.1 25.4 49.8 108 102 A D E -EF 119 160A 36 11,-2.8 11,-2.6 -2,-0.3 2,-0.4 -0.946 22.4-168.9-105.5 142.4 -0.7 26.3 52.9 109 103 A L E +EF 118 159A 0 50,-2.6 50,-2.0 -2,-0.4 2,-0.5 -0.932 8.0 178.1-135.6 108.4 -0.6 23.8 55.8 110 104 A I E -EF 117 158A 68 7,-2.7 7,-2.7 -2,-0.4 2,-0.5 -0.960 9.4-164.2-120.7 122.8 -2.9 24.5 58.7 111 105 A T E +EF 116 157A 0 46,-2.6 46,-1.6 -2,-0.5 5,-0.2 -0.926 12.4 173.1-110.8 123.7 -3.1 22.2 61.7 112 106 A T - 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0 0 15 -47,-2.1 -273,-2.1 -2,-0.9 -274,-0.6 0.878 54.6 -89.3 -68.2 -41.2 17.0 29.2 37.2 441 435 A G E -gn 167 394B 0 -48,-1.4 -46,-2.7 -275,-0.2 2,-0.3 -0.985 46.7 -51.8 164.8-149.1 18.4 27.8 40.5 442 436 A V E -gn 168 395B 3 -275,-2.4 -273,-2.9 -2,-0.3 2,-0.4 -0.890 28.6-164.6-126.8 144.4 21.0 25.8 42.3 443 437 A E E -g 169 0B 1 -48,-2.3 2,-0.4 -2,-0.3 -273,-0.2 -0.953 11.8-148.6-136.0 124.6 22.5 22.3 41.8 444 438 A S E -g 170 0B 2 -275,-2.6 -273,-2.9 -2,-0.4 2,-0.6 -0.707 20.5-149.5 -81.3 127.6 24.6 20.5 44.4 445 439 A T E -go 171 401B 0 -45,-2.7 -42,-0.9 -2,-0.4 -43,-0.8 -0.912 13.7-169.2-109.1 122.2 27.2 18.3 42.7 446 440 A L E -g 172 0B 0 -275,-2.6 -273,-2.2 -2,-0.6 2,-0.1 -0.789 10.3-172.6-109.3 88.9 28.3 15.1 44.2 447 441 A W - 0 0 17 -2,-0.8 3,-0.2 -275,-0.2 -273,-0.0 -0.437 12.7-149.5 -70.2 152.1 31.3 13.9 42.2 448 442 A T > + 0 0 0 1,-0.1 3,-0.8 -2,-0.1 -1,-0.1 0.130 54.0 123.1-125.3 25.3 32.5 10.4 43.2 449 443 A E T 3 S+ 0 0 20 1,-0.2 -1,-0.1 -161,-0.1 -2,-0.0 0.856 96.9 23.3 -46.8 -39.3 36.3 10.1 42.6 450 444 A T T 3 S+ 0 0 46 -3,-0.2 2,-0.5 -47,-0.1 -1,-0.2 0.270 103.3 93.5-118.5 9.6 36.7 9.2 46.3 451 445 A F < + 0 0 0 -3,-0.8 3,-0.1 1,-0.1 -39,-0.0 -0.939 33.4 154.9-111.8 121.3 33.2 7.8 47.3 452 446 A V + 0 0 77 -2,-0.5 2,-0.2 1,-0.1 -1,-0.1 0.719 57.0 47.1-112.0 -37.3 32.8 4.1 47.0 453 447 A T S > S- 0 0 58 1,-0.1 4,-1.7 -274,-0.1 3,-0.4 -0.675 80.8-112.4-114.1 162.6 30.0 3.2 49.4 454 448 A Q H > S+ 0 0 52 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.901 118.2 59.5 -57.0 -41.6 26.5 4.4 50.3 455 449 A D H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 102.5 53.1 -55.9 -39.3 27.9 5.5 53.7 456 450 A H H > S+ 0 0 53 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.907 108.7 49.0 -61.2 -44.7 30.4 7.8 51.8 457 451 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.938 113.1 47.5 -57.3 -49.2 27.5 9.4 49.9 458 452 A D H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 45,-0.4 0.900 109.6 53.3 -58.5 -44.8 25.6 9.9 53.2 459 453 A Y H < S+ 0 0 52 -4,-2.5 44,-0.6 43,-0.2 5,-0.3 0.887 116.4 37.4 -60.6 -40.9 28.5 11.3 55.0 460 454 A M H < S+ 0 0 0 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.829 119.6 45.4 -86.3 -33.1 29.2 14.0 52.3 461 455 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 5,-0.4 0.739 96.9 94.4 -81.2 -24.2 25.6 14.8 51.4 462 456 A Y T < S- 0 0 0 -4,-2.1 41,-2.4 -5,-0.3 -1,-0.2 -0.959 102.7 -2.7-125.7 120.3 24.4 15.1 55.0 463 457 A P T >> S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 3,-1.1 -0.971 128.2 66.2 -91.4 3.4 24.3 17.7 56.4 464 458 A K H 3> S+ 0 0 0 -4,-0.3 4,-1.9 -5,-0.3 3,-0.3 0.852 99.5 52.9 -52.7 -44.8 25.8 19.6 53.5 465 459 A L H 3X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -1,-0.3 0.804 101.3 61.3 -63.3 -30.7 22.9 19.1 51.1 466 460 A L H <> S+ 0 0 0 -3,-1.1 4,-1.9 -5,-0.4 -1,-0.2 0.919 105.0 48.7 -60.8 -42.9 20.5 20.5 53.8 467 461 A S H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.957 113.6 44.8 -60.0 -52.5 22.4 23.8 53.6 468 462 A N H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.881 109.9 56.7 -59.4 -40.7 22.2 23.9 49.8 469 463 A A H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.884 108.3 46.9 -59.6 -39.8 18.5 22.9 49.9 470 464 A E H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.887 107.5 55.9 -71.2 -38.2 17.7 25.8 52.1 471 465 A V H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 112.8 44.0 -58.8 -35.3 19.7 28.2 49.9 472 466 A G H < S+ 0 0 1 -4,-1.9 -307,-1.8 -5,-0.2 -308,-0.4 0.853 125.6 29.6 -76.3 -35.4 17.5 27.0 46.9 473 467 A W H < S+ 0 0 2 -4,-1.8 -309,-1.5 -309,-0.2 2,-0.3 0.910 105.7 68.8 -93.8 -50.4 14.2 27.2 48.7 474 468 A T S < S- 0 0 5 -4,-2.4 5,-0.1 -5,-0.2 -447,-0.0 -0.554 85.8-109.7 -84.8 135.7 14.3 29.9 51.4 475 469 A A > - 0 0 36 -2,-0.3 3,-1.9 -448,-0.1 4,-0.3 -0.305 26.8-118.3 -62.5 143.8 14.5 33.6 50.4 476 470 A R G > S+ 0 0 131 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.849 112.8 60.1 -51.1 -40.5 17.9 35.2 51.2 477 471 A G G 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.703 107.9 45.7 -62.0 -21.6 16.3 37.7 53.6 478 472 A D G < S+ 0 0 72 -3,-1.9 2,-0.4 -451,-0.1 -1,-0.3 0.290 91.3 100.7-104.0 3.4 15.1 34.8 55.8 479 473 A R < + 0 0 34 -3,-1.6 2,-0.3 -4,-0.3 -8,-0.0 -0.805 39.4 159.6 -96.9 135.5 18.4 32.9 55.8 480 474 A N > - 0 0 79 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.934 35.7-143.8-157.3 122.1 20.6 33.1 58.8 481 475 A W H > S+ 0 0 13 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.903 101.8 53.4 -58.6 -47.0 23.4 30.6 59.8 482 476 A D H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 113.6 44.8 -56.3 -41.7 22.8 31.0 63.6 483 477 A D H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.959 116.2 44.9 -62.4 -54.6 19.1 30.1 63.0 484 478 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.905 109.8 56.1 -59.3 -45.2 19.8 27.3 60.6 485 479 A K H X S+ 0 0 39 -4,-3.5 4,-2.3 2,-0.2 -1,-0.2 0.929 110.0 44.3 -52.9 -50.8 22.5 25.8 62.8 486 480 A E H X S+ 0 0 100 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.923 113.6 50.7 -66.0 -41.1 20.2 25.6 65.8 487 481 A R H X S+ 0 0 29 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.874 109.7 52.2 -58.0 -38.6 17.4 24.1 63.6 488 482 A L H X S+ 0 0 0 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.909 106.1 52.1 -68.5 -41.0 19.9 21.6 62.3 489 483 A I H >< S+ 0 0 8 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.945 111.7 48.0 -54.5 -49.1 20.9 20.5 65.8 490 484 A E H 3< S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.823 110.2 52.8 -62.1 -32.1 17.2 20.0 66.5 491 485 A H H >X S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.2 4,-1.1 0.649 82.0 95.7 -77.3 -18.8 16.8 18.0 63.3 492 486 A T H XX S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.9 3,-0.5 0.846 77.8 54.9 -47.2 -48.8 19.7 15.6 64.0 493 487 A P H 3> S+ 0 0 27 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.832 103.7 58.4 -56.5 -29.3 17.6 12.8 65.5 494 488 A R H <> S+ 0 0 2 -3,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.901 104.6 48.8 -67.6 -39.7 15.6 12.8 62.3 495 489 A L H <<>S+ 0 0 0 -4,-1.1 5,-2.2 -3,-0.5 4,-0.4 0.929 112.6 49.0 -60.4 -46.8 18.7 12.1 60.2 496 490 A Q H ><5S+ 0 0 94 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.927 109.3 52.5 -54.7 -49.8 19.5 9.2 62.6 497 491 A N H 3<5S+ 0 0 30 -4,-2.7 -353,-0.5 1,-0.3 -1,-0.2 0.792 105.4 54.5 -61.5 -32.2 16.0 7.9 62.3 498 492 A K T 3<5S- 0 0 20 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.520 115.0-116.6 -76.6 -9.1 16.2 7.8 58.5 499 493 A G T < 5 + 0 0 31 -3,-1.8 2,-0.5 -4,-0.4 -3,-0.2 0.711 58.8 158.5 76.6 21.8 19.4 5.7 58.7 500 494 A I < - 0 0 4 -5,-2.2 2,-1.9 -6,-0.2 -1,-0.3 -0.680 40.1-143.9 -79.4 124.2 21.5 8.5 57.1 501 495 A K + 0 0 121 -2,-0.5 -39,-0.1 -47,-0.1 -1,-0.1 -0.471 39.2 174.6 -87.8 66.3 25.1 8.0 58.0 502 496 A F - 0 0 37 -2,-1.9 2,-0.5 1,-0.1 -43,-0.2 -0.161 36.4-106.6 -70.5 162.4 25.7 11.7 58.3 503 497 A F - 0 0 34 -41,-2.4 2,-1.8 -44,-0.6 -1,-0.1 -0.841 24.0-134.2 -88.7 125.0 28.9 13.6 59.4 504 498 A A - 0 0 31 -2,-0.5 -491,-0.3 -491,-0.1 -488,-0.1 -0.594 30.5-149.1 -77.8 83.6 28.5 15.1 62.8 505 499 A D > - 0 0 0 -2,-1.8 3,-2.0 1,-0.2 -490,-0.4 -0.369 9.1-143.3 -64.2 123.9 30.0 18.4 61.7 506 500 A P T 3 S+ 0 0 30 0, 0.0 -497,-2.9 0, 0.0 -494,-0.2 0.565 98.3 65.7 -66.3 -8.4 31.8 20.2 64.6 507 501 A I T 3 0 0 10 -499,-0.2 -2,-0.1 -494,-0.1 -22,-0.0 0.505 360.0 360.0 -86.5 -5.0 30.7 23.6 63.4 508 502 A V < 0 0 0 -3,-2.0 -494,-3.0 -499,-0.1 -493,-0.8 -0.913 360.0 360.0-105.0 360.0 27.1 22.5 64.2