==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAR-09 3GH4 . COMPND 2 MOLECULE: BETA-HEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS SP.; . AUTHOR T.SUMIDA,R.ISHII,T.YANAGISAWA,S.YOKOYAMA,M.ITO,RIKEN . 507 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 12.0 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 . 58 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 25.2 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 3 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 3 3 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 0 213 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.1 26.1 46.9 67.0 2 -15 A H + 0 0 189 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.851 360.0 177.9-112.0 137.9 28.3 43.9 67.3 3 -14 A H + 0 0 168 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.901 3.0 178.6-134.0 159.7 28.6 41.0 64.9 4 -13 A H - 0 0 143 -2,-0.3 2,-0.2 0, 0.0 -2,-0.0 -0.982 23.3-124.8-153.6 161.7 30.6 37.7 64.6 5 -12 A S - 0 0 109 -2,-0.3 2,-0.3 1,-0.0 -2,-0.0 -0.696 42.2 -94.0-100.8 163.4 31.1 34.6 62.4 6 -11 A S - 0 0 29 -2,-0.2 2,-0.2 1,-0.0 3,-0.1 -0.571 34.8-171.8 -84.2 137.1 30.9 31.1 63.7 7 -10 A G - 0 0 51 -2,-0.3 -1,-0.0 1,-0.2 2,-0.0 -0.509 45.8 -62.7-104.0-174.7 33.8 29.0 64.9 8 -9 A L - 0 0 99 -2,-0.2 499,-0.2 1,-0.1 -1,-0.2 -0.337 62.1 -98.8 -67.0 152.9 33.8 25.3 65.8 9 -8 A V > - 0 0 17 497,-3.0 3,-1.9 1,-0.1 -1,-0.1 -0.589 38.5-110.9 -75.7 128.6 31.7 24.3 68.7 10 -7 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.399 102.0 12.8 -57.0 132.4 33.5 23.9 72.0 11 -6 A R T 3 S- 0 0 254 -2,-0.1 2,-0.1 -3,-0.0 -2,-0.0 0.559 127.4 -68.4 76.0 11.4 33.7 20.2 73.1 12 -5 A G S < S- 0 0 32 -3,-1.9 493,-0.1 494,-0.2 4,-0.1 -0.253 79.2 -21.8 107.2 173.1 32.5 18.9 69.7 13 -4 A S >> - 0 0 9 491,-0.3 4,-1.9 1,-0.1 3,-1.2 -0.245 41.6-142.1 -57.1 136.9 29.5 18.8 67.3 14 -3 A H H 3> S+ 0 0 59 494,-3.1 4,-2.5 491,-0.3 -1,-0.1 0.659 101.8 72.0 -68.3 -18.5 26.0 19.3 68.8 15 -2 A M H 34 S+ 0 0 9 493,-0.7 -1,-0.2 490,-0.4 -2,-0.1 0.292 107.6 35.7 -79.6 4.2 25.0 16.7 66.3 16 -1 A A H <4 S+ 0 0 79 -3,-1.2 -2,-0.2 489,-0.1 -1,-0.2 0.562 120.9 45.5-110.3 -46.2 26.8 14.3 68.6 17 0 A S H < 0 0 89 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.796 360.0 360.0 -77.3 -32.6 26.0 15.9 72.0 18 1 A M < 0 0 108 -4,-2.5 -1,-0.2 -5,-0.1 -3,-0.1 0.833 360.0 360.0 -66.7 360.0 22.2 16.5 71.6 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 0 120 0, 0.0 117,-0.1 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 -62.8 5.7 20.1 70.3 21 15 A Q - 0 0 111 115,-0.1 118,-0.2 469,-0.0 116,-0.0 -0.663 360.0-176.1-128.6 80.7 9.1 20.5 68.5 22 16 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 114,-0.2 -0.309 14.6-150.0 -59.6 154.2 8.6 20.4 64.7 23 17 A S - 0 0 4 112,-2.6 2,-0.6 114,-0.2 113,-0.1 -0.620 16.1-173.9-132.9 77.5 11.8 20.6 62.6 24 18 A I - 0 0 11 -2,-0.3 108,-0.1 112,-0.1 170,-0.1 -0.604 6.8-160.2 -85.0 118.7 11.1 22.3 59.3 25 19 A L S S+ 0 0 2 -2,-0.6 2,-0.2 168,-0.2 -2,-0.1 -0.987 76.4 38.2-142.4 125.6 13.9 22.4 56.8 26 20 A P S S- 0 0 2 0, 0.0 -1,-0.1 0, 0.0 444,-0.1 0.567 106.6-110.1 -66.8 160.4 14.1 24.3 54.5 27 21 A K - 0 0 60 -2,-0.2 448,-0.1 1,-0.1 -2,-0.1 -0.440 36.1-131.1 -63.0 127.1 12.7 27.3 56.5 28 22 A P - 0 0 11 0, 0.0 133,-0.2 0, 0.0 3,-0.1 -0.343 20.8-105.5 -78.9 165.6 9.2 28.0 55.1 29 23 A V S S+ 0 0 73 131,-0.2 2,-0.3 1,-0.2 132,-0.2 0.881 101.9 3.0 -57.4 -42.1 7.9 31.5 54.2 30 24 A S E +A 160 0A 42 130,-2.1 130,-1.3 2,-0.0 2,-0.3 -0.997 61.1 174.4-147.6 144.3 5.8 31.7 57.4 31 25 A Y E +A 159 0A 87 -2,-0.3 2,-0.3 128,-0.2 128,-0.2 -0.909 7.5 171.1-150.9 116.8 5.2 29.5 60.4 32 26 A T E -A 158 0A 86 126,-2.1 126,-2.6 -2,-0.3 2,-0.4 -0.953 17.7-148.6-126.0 152.9 3.2 30.5 63.5 33 27 A V E -A 157 0A 82 -2,-0.3 124,-0.3 124,-0.2 2,-0.2 -0.962 13.7-175.2-124.3 136.3 2.1 28.2 66.4 34 28 A G E - 0 0 35 122,-2.7 122,-0.3 -2,-0.4 2,-0.2 -0.469 38.9 -69.3-115.2-172.2 -1.1 28.6 68.4 35 29 A S E S+ 0 0 115 -2,-0.2 -1,-0.1 120,-0.1 2,-0.1 -0.553 91.9 28.3 -83.7 149.0 -2.5 26.8 71.5 36 30 A G E - 0 0 47 -2,-0.2 120,-2.4 76,-0.1 2,-0.3 -0.265 69.2-119.2 95.2 177.3 -3.6 23.1 71.3 37 31 A Q E -A 155 0A 73 118,-0.3 2,-0.4 -2,-0.1 75,-0.0 -0.995 6.7-123.5-158.9 154.3 -2.6 20.2 69.1 38 32 A F E -A 154 0A 0 116,-3.2 116,-2.4 -2,-0.3 2,-0.5 -0.816 25.7-149.8 -98.1 142.0 -3.8 17.6 66.6 39 33 A V E -A 153 0A 45 74,-0.5 2,-0.7 -2,-0.4 114,-0.2 -0.974 5.6-144.1-117.0 123.1 -3.3 13.9 67.5 40 34 A L - 0 0 2 112,-3.6 112,-0.4 -2,-0.5 2,-0.2 -0.767 31.4-179.8 -81.5 115.9 -2.7 11.4 64.8 41 35 A T > - 0 0 56 -2,-0.7 3,-1.9 48,-0.3 33,-0.0 -0.665 44.7 -97.4-114.9 173.8 -4.5 8.2 65.9 42 36 A K T 3 S+ 0 0 148 1,-0.3 35,-0.4 -2,-0.2 -2,-0.0 0.653 120.8 57.6 -64.4 -16.2 -4.9 4.7 64.5 43 37 A N T 3 S+ 0 0 127 33,-0.1 -1,-0.3 35,-0.1 -3,-0.0 0.415 79.9 122.0 -93.1 -3.0 -8.4 5.7 63.2 44 38 A A < - 0 0 7 -3,-1.9 35,-0.5 46,-0.1 2,-0.3 -0.317 40.2-168.3 -65.7 143.7 -7.1 8.6 61.0 45 39 A S - 0 0 28 33,-0.2 46,-2.1 42,-0.1 2,-0.6 -0.870 21.7-125.6-121.8 160.1 -7.7 8.7 57.3 46 40 A I E -bc 80 91A 0 33,-2.5 35,-2.9 -2,-0.3 2,-0.4 -0.953 25.8-158.2-104.8 119.3 -6.3 11.0 54.6 47 41 A F E -bc 81 92A 19 44,-3.2 46,-2.9 -2,-0.6 2,-0.4 -0.824 7.0-164.5 -96.8 138.7 -9.0 12.7 52.6 48 42 A V E +bc 82 93A 1 33,-2.6 35,-1.1 -2,-0.4 2,-0.3 -0.974 12.1 172.1-127.3 141.2 -8.2 14.1 49.1 49 43 A A E + c 0 94A 9 44,-2.0 46,-1.6 -2,-0.4 47,-0.6 -0.908 3.5 176.3-151.1 115.9 -10.1 16.6 47.0 50 44 A G - 0 0 12 -2,-0.3 46,-0.1 2,-0.2 6,-0.0 -0.508 47.0 -97.1-108.7-177.9 -9.1 18.1 43.7 51 45 A N S S+ 0 0 96 -2,-0.2 2,-0.3 44,-0.1 3,-0.0 0.656 105.7 7.5 -78.2 -15.4 -10.9 20.5 41.2 52 46 A N S > S- 0 0 97 1,-0.0 4,-2.7 0, 0.0 -2,-0.2 -0.935 89.2 -92.6-153.1 172.4 -11.9 17.6 39.0 53 47 A V H > S+ 0 0 118 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.862 122.1 54.5 -61.4 -35.4 -11.8 13.8 39.1 54 48 A G H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 111.8 43.9 -63.7 -43.9 -8.4 13.6 37.3 55 49 A E H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 111.5 53.6 -69.4 -42.8 -6.8 15.9 39.8 56 50 A T H X S+ 0 0 20 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.900 106.6 53.9 -55.1 -40.3 -8.4 14.1 42.7 57 51 A D H X S+ 0 0 71 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.888 109.0 47.4 -64.2 -38.0 -6.9 10.8 41.4 58 52 A E H X S+ 0 0 78 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.920 112.0 49.8 -69.1 -42.5 -3.4 12.4 41.3 59 53 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.866 105.3 59.6 -60.4 -37.0 -3.9 13.7 44.9 60 54 A F H X S+ 0 0 45 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.897 104.6 48.4 -57.5 -43.4 -5.1 10.2 45.8 61 55 A N H X S+ 0 0 101 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.914 111.8 49.4 -64.0 -43.0 -1.7 8.8 44.7 62 56 A I H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.928 110.2 52.0 -59.1 -47.9 0.1 11.5 46.8 63 57 A G H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.888 107.6 51.5 -53.3 -44.2 -2.2 10.6 49.7 64 58 A Q H X S+ 0 0 98 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.896 108.4 51.1 -65.4 -37.1 -1.2 6.9 49.4 65 59 A A H X S+ 0 0 50 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.911 112.2 47.2 -65.0 -42.7 2.5 7.7 49.4 66 60 A L H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.913 111.5 51.2 -62.0 -45.2 2.0 9.8 52.6 67 61 A A H X S+ 0 0 6 -4,-2.6 4,-3.1 1,-0.2 11,-0.3 0.919 107.1 53.3 -60.0 -47.8 -0.1 7.0 54.2 68 62 A K H X S+ 0 0 160 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.922 111.6 46.2 -51.2 -48.2 2.7 4.5 53.5 69 63 A K H X S+ 0 0 61 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.913 115.3 45.1 -63.3 -46.5 5.3 6.7 55.2 70 64 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 6,-0.4 0.874 111.7 53.3 -64.7 -39.8 3.1 7.4 58.2 71 65 A N H X S+ 0 0 34 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.837 99.8 62.4 -64.1 -34.9 2.1 3.8 58.5 72 66 A A H < S+ 0 0 35 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.865 116.6 27.5 -63.6 -38.3 5.7 2.6 58.6 73 67 A S H < S+ 0 0 0 -4,-0.9 74,-3.4 -3,-0.3 -1,-0.2 0.791 126.8 42.6 -94.8 -34.2 6.6 4.4 61.8 74 68 A T H < S- 0 0 10 -4,-2.2 -3,-0.2 72,-0.2 -2,-0.2 0.747 94.8-134.9 -82.1 -23.7 3.2 4.6 63.6 75 69 A G < + 0 0 43 -4,-2.0 -4,-0.2 -5,-0.3 -3,-0.1 0.575 62.2 132.5 72.3 10.9 2.3 1.0 62.7 76 70 A Y - 0 0 56 -6,-0.4 -1,-0.2 -9,-0.1 2,-0.1 -0.292 61.2-133.0 -80.0 172.3 -1.2 2.3 61.7 77 71 A T + 0 0 124 -35,-0.4 2,-0.2 -3,-0.1 -9,-0.1 -0.576 32.0 179.8-123.0 67.3 -3.1 1.5 58.6 78 72 A I - 0 0 6 -11,-0.3 2,-0.2 -2,-0.1 -33,-0.2 -0.503 10.6-160.6 -65.7 128.2 -4.2 4.9 57.5 79 73 A S - 0 0 67 -35,-0.5 -33,-2.5 -2,-0.2 2,-0.4 -0.718 13.3-118.6-111.8 168.0 -6.2 4.7 54.3 80 74 A V E -b 46 0A 18 -2,-0.2 2,-0.4 -35,-0.2 -33,-0.2 -0.877 23.3-165.4-114.1 137.1 -7.0 7.4 51.7 81 75 A V E -b 47 0A 51 -35,-2.9 -33,-2.6 -2,-0.4 2,-1.2 -0.962 22.1-132.9-125.2 135.0 -10.5 8.5 50.8 82 76 A K E +b 48 0A 110 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.763 65.4 111.1 -86.0 95.7 -11.7 10.6 47.8 83 77 A S - 0 0 31 -2,-1.2 -2,-0.1 -35,-1.1 0, 0.0 -0.954 62.8-145.3-164.5 145.8 -13.9 13.1 49.6 84 78 A N S S+ 0 0 104 -2,-0.3 -35,-0.1 1,-0.2 -2,-0.0 0.101 87.0 83.6 -98.0 19.2 -14.0 16.8 50.5 85 79 A Q - 0 0 147 2,-0.0 -1,-0.2 0, 0.0 7,-0.0 -0.529 66.8-170.3-120.6 66.1 -15.8 16.0 53.8 86 80 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.238 15.7-132.0 -60.4 146.1 -12.9 15.1 56.2 87 81 A T > - 0 0 88 1,-0.1 3,-1.8 4,-0.1 -42,-0.1 -0.535 39.6 -76.1 -94.2 155.6 -13.8 13.7 59.6 88 82 A A T 3 S+ 0 0 72 1,-0.3 27,-0.2 -2,-0.2 -1,-0.1 -0.319 123.6 28.9 -55.9 137.5 -12.4 14.9 62.9 89 83 A G T 3 S+ 0 0 19 25,-3.5 -48,-0.3 1,-0.3 -1,-0.3 0.473 97.5 131.3 85.9 6.3 -8.8 13.6 63.3 90 84 A S E < - d 0 115A 0 -3,-1.8 26,-2.1 24,-0.7 2,-0.4 -0.506 57.0-134.5 -88.0 154.9 -8.3 13.5 59.5 91 85 A I E -cd 46 116A 3 -46,-2.1 -44,-3.2 24,-0.2 2,-0.5 -0.932 27.5-160.2 -97.5 135.6 -5.5 14.8 57.3 92 86 A Y E -cd 47 117A 29 24,-3.1 26,-3.0 -2,-0.4 2,-0.5 -0.981 10.3-169.7-127.3 123.3 -7.0 16.7 54.3 93 87 A L E +cd 48 118A 0 -46,-2.9 -44,-2.0 -2,-0.5 2,-0.3 -0.959 20.1 163.0-114.8 121.1 -5.2 17.3 51.1 94 88 A T E -cd 49 119A 7 24,-2.8 26,-2.6 -2,-0.5 -44,-0.2 -0.989 40.0-169.8-143.6 148.8 -6.8 19.7 48.6 95 89 A T > + 0 0 2 -46,-1.6 3,-1.1 -2,-0.3 2,-0.8 0.265 58.9 117.5-110.2 5.7 -6.1 21.9 45.5 96 90 A V T 3 S+ 0 0 73 -47,-0.6 25,-0.1 1,-0.2 -2,-0.0 -0.661 88.3 2.0 -80.3 110.6 -9.5 23.6 45.7 97 91 A G T 3 S+ 0 0 66 -2,-0.8 -1,-0.2 1,-0.2 24,-0.1 0.678 85.3 179.5 87.9 20.0 -9.0 27.3 46.3 98 92 A G < - 0 0 21 -3,-1.1 2,-1.0 22,-0.5 -1,-0.2 -0.153 38.8-108.1 -47.6 143.0 -5.2 27.4 46.3 99 93 A N > - 0 0 81 20,-0.2 3,-2.5 1,-0.2 4,-0.2 -0.719 28.1-154.7 -76.8 103.9 -3.5 30.7 46.8 100 94 A A G > S+ 0 0 82 -2,-1.0 3,-1.7 1,-0.3 -1,-0.2 0.740 87.8 70.3 -56.0 -27.4 -2.2 31.4 43.3 101 95 A A G 3 S+ 0 0 80 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.725 90.2 62.9 -63.9 -20.4 0.6 33.7 44.6 102 96 A L G <> S- 0 0 21 -3,-2.5 4,-0.8 1,-0.2 3,-0.3 0.569 98.0-153.2 -81.8 -7.5 2.2 30.5 46.0 103 97 A G T X4 - 0 0 30 -3,-1.7 3,-0.7 -4,-0.2 18,-0.5 -0.018 41.4 -41.1 65.0-170.9 2.7 29.0 42.5 104 98 A N T 34 S+ 0 0 88 1,-0.2 21,-0.7 17,-0.1 18,-0.3 0.791 140.3 37.2 -62.2 -33.7 3.0 25.4 41.4 105 99 A E T 34 S+ 0 0 14 -3,-0.3 -1,-0.2 19,-0.1 -2,-0.2 0.507 98.4 98.4 -99.8 -5.3 5.1 24.3 44.4 106 100 A G << + 0 0 0 -4,-0.8 15,-0.7 -3,-0.7 16,-0.4 -0.310 43.9 168.1 -86.8 167.5 3.6 26.4 47.1 107 101 A Y E -EF 120 161A 0 54,-2.0 54,-2.0 13,-0.2 2,-0.4 -0.986 32.7-125.8-165.7 160.3 1.0 25.5 49.8 108 102 A D E -EF 119 160A 38 11,-2.6 11,-2.7 -2,-0.3 2,-0.4 -0.952 23.2-167.9-111.1 141.0 -0.7 26.5 53.0 109 103 A L E +EF 118 159A 0 50,-2.5 50,-2.0 -2,-0.4 2,-0.5 -0.938 8.6 178.6-134.4 107.6 -0.6 23.9 55.8 110 104 A I E -EF 117 158A 64 7,-2.9 7,-2.8 -2,-0.4 2,-0.5 -0.961 8.1-166.7-119.1 123.8 -3.0 24.6 58.7 111 105 A T E +EF 116 157A 0 46,-2.4 46,-1.6 -2,-0.5 2,-0.2 -0.941 12.1 169.4-112.4 126.2 -3.2 22.3 61.7 112 106 A T - 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0 0 7 -2,-0.3 3,-1.9 1,-0.1 4,-0.7 -0.987 26.4-121.5-140.2 144.9 23.4 33.3 47.6 430 424 A P H >> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 3,-1.1 0.851 113.6 62.9 -54.3 -34.0 23.0 32.4 43.9 431 425 A T H 34 S+ 0 0 48 1,-0.3 6,-0.1 2,-0.2 5,-0.0 0.688 93.8 64.8 -64.6 -18.6 23.2 36.2 43.1 432 426 A D H <4 S+ 0 0 78 -3,-1.9 -1,-0.3 1,-0.1 3,-0.1 0.868 100.6 49.9 -64.0 -38.9 26.8 36.0 44.5 433 427 A a H << S+ 0 0 15 -3,-1.1 2,-0.3 -4,-0.7 -2,-0.2 0.848 125.2 8.4 -75.9 -36.8 27.9 33.6 41.7 434 428 A I < - 0 0 10 -4,-1.1 2,-0.3 3,-0.1 3,-0.3 -0.994 65.3-149.3-149.6 137.6 26.6 35.6 38.7 435 429 A K S S+ 0 0 130 -2,-0.3 3,-0.1 -55,-0.2 -3,-0.0 -0.859 77.3 17.2-108.7 145.7 25.1 39.1 38.3 436 430 A G S S+ 0 0 80 -2,-0.3 2,-0.2 1,-0.3 -1,-0.2 0.673 95.5 125.3 74.2 20.3 22.6 40.3 35.7 437 431 A A S S- 0 0 28 -3,-0.3 2,-1.1 -6,-0.1 -1,-0.3 -0.666 71.9-113.8-108.5 163.1 21.4 36.7 34.9 438 432 A N E - n 0 392B 101 -47,-0.5 -45,-2.4 -2,-0.2 2,-0.9 -0.860 40.4-155.9 -89.9 96.8 18.1 34.8 34.8 439 433 A I E - n 0 393B 25 -2,-1.1 -45,-0.2 -47,-0.2 -272,-0.1 -0.735 18.0-176.6 -86.7 110.3 19.0 32.5 37.6 440 434 A Y E - 0 0 14 -47,-2.1 -273,-2.1 -2,-0.9 -274,-0.6 0.844 54.2 -87.8 -72.7 -37.7 16.9 29.3 37.2 441 435 A G E -gn 167 394B 0 -48,-1.4 -46,-2.9 -275,-0.2 2,-0.3 -0.992 46.6 -51.8 165.3-150.4 18.3 27.9 40.4 442 436 A V E -gn 168 395B 3 -275,-2.3 -273,-2.9 -2,-0.3 2,-0.4 -0.895 28.3-164.5-126.1 143.7 20.9 25.9 42.3 443 437 A E E -g 169 0B 0 -48,-2.3 2,-0.4 -2,-0.3 -273,-0.2 -0.947 11.7-148.7-135.9 122.5 22.4 22.4 41.8 444 438 A S E -g 170 0B 2 -275,-2.7 -273,-2.8 -2,-0.4 2,-0.6 -0.684 20.7-150.2 -78.4 130.6 24.5 20.6 44.4 445 439 A T E -go 171 401B 0 -45,-2.8 -42,-0.9 -2,-0.4 2,-0.8 -0.921 13.4-169.1-112.8 119.2 27.0 18.4 42.7 446 440 A L E -g 172 0B 0 -275,-2.6 -273,-2.4 -2,-0.6 2,-0.1 -0.781 10.3-172.8-107.4 88.8 28.2 15.1 44.2 447 441 A W - 0 0 12 -2,-0.8 3,-0.2 -275,-0.2 -273,-0.0 -0.414 12.7-150.2 -69.8 152.6 31.3 13.9 42.2 448 442 A T > + 0 0 0 1,-0.1 3,-0.7 -2,-0.1 -220,-0.1 0.065 53.1 124.9-127.7 27.9 32.4 10.5 43.2 449 443 A E T 3 S+ 0 0 18 1,-0.2 -1,-0.1 -161,-0.1 -2,-0.0 0.862 96.5 22.9 -48.2 -39.0 36.2 10.2 42.6 450 444 A T T 3 S+ 0 0 45 -3,-0.2 2,-0.5 -47,-0.1 -1,-0.2 0.287 102.7 94.1-118.9 9.3 36.6 9.2 46.3 451 445 A F < + 0 0 2 -3,-0.7 3,-0.1 1,-0.1 -39,-0.0 -0.931 32.5 156.2-110.3 123.6 33.1 7.8 47.3 452 446 A V + 0 0 77 -2,-0.5 2,-0.2 1,-0.1 -1,-0.1 0.715 57.5 46.4-112.1 -37.3 32.7 4.1 47.0 453 447 A T S > S- 0 0 59 1,-0.1 4,-1.6 -274,-0.1 3,-0.4 -0.664 80.8-112.1-114.1 163.2 29.9 3.2 49.4 454 448 A Q H > S+ 0 0 51 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.897 118.6 59.6 -56.4 -41.3 26.4 4.4 50.3 455 449 A D H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 102.5 53.0 -56.4 -38.6 27.8 5.5 53.7 456 450 A H H > S+ 0 0 53 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.906 109.2 48.6 -62.5 -43.9 30.3 7.8 51.8 457 451 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 5,-0.3 0.938 112.8 47.6 -58.2 -50.3 27.4 9.4 49.9 458 452 A D H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 45,-0.3 0.890 108.2 55.7 -57.4 -44.7 25.4 9.9 53.2 459 453 A Y H < S+ 0 0 48 -4,-2.4 44,-0.7 43,-0.2 5,-0.3 0.873 116.0 35.9 -58.9 -40.7 28.5 11.4 55.0 460 454 A M H < S+ 0 0 0 -4,-1.6 4,-0.3 -3,-0.2 -1,-0.2 0.832 119.7 46.1 -85.1 -34.6 29.0 14.1 52.4 461 455 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 -5,-0.2 5,-0.5 0.751 96.8 94.6 -81.3 -24.4 25.4 14.9 51.5 462 456 A Y T < S- 0 0 0 -4,-2.1 41,-2.4 1,-0.3 -1,-0.2 -0.958 103.3 -4.0-125.3 120.4 24.2 15.1 55.1 463 457 A P T >> S+ 0 0 0 0, 0.0 4,-1.0 0, 0.0 3,-0.9 -0.968 129.0 66.1 -91.2 6.3 24.1 17.6 56.5 464 458 A K H 3> S+ 0 0 0 -4,-0.3 4,-1.7 1,-0.3 3,-0.5 0.843 97.6 54.9 -57.0 -42.6 25.6 19.6 53.6 465 459 A L H 3X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -1,-0.3 0.841 100.4 61.6 -60.8 -32.5 22.7 19.1 51.2 466 460 A L H <> S+ 0 0 3 -3,-0.9 4,-1.7 -5,-0.5 -1,-0.2 0.882 103.8 50.1 -60.8 -39.1 20.3 20.6 53.8 467 461 A S H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.5 3,-0.2 0.957 113.3 43.7 -62.4 -52.1 22.3 23.8 53.6 468 462 A N H X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.883 110.2 57.3 -62.0 -38.6 22.1 24.0 49.8 469 463 A A H X S+ 0 0 4 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.872 107.9 46.8 -61.1 -38.7 18.4 23.0 49.8 470 464 A E H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.2 -1,-0.2 0.880 107.6 55.9 -71.5 -38.2 17.6 26.0 52.1 471 465 A V H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 112.8 44.1 -58.6 -35.6 19.7 28.3 49.8 472 466 A G H < S+ 0 0 0 -4,-2.0 -307,-1.8 -5,-0.2 -308,-0.3 0.879 125.8 29.0 -75.5 -37.3 17.4 27.1 46.9 473 467 A W H < S+ 0 0 2 -4,-1.9 -309,-1.6 -309,-0.2 2,-0.2 0.914 105.7 68.7 -90.9 -51.6 14.1 27.3 48.7 474 468 A T S < S- 0 0 4 -4,-2.2 5,-0.1 -5,-0.2 -445,-0.0 -0.538 85.8-110.3 -84.6 136.3 14.2 30.0 51.4 475 469 A A > - 0 0 30 -2,-0.2 3,-1.9 -448,-0.1 4,-0.4 -0.307 27.3-117.9 -63.6 145.7 14.5 33.7 50.4 476 470 A R G > S+ 0 0 125 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.864 112.8 59.9 -54.2 -40.3 17.8 35.3 51.2 477 471 A G G 3 S+ 0 0 76 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.686 107.3 47.2 -62.2 -19.7 16.3 37.8 53.6 478 472 A D G < S+ 0 0 74 -3,-1.9 2,-0.4 -451,-0.1 -1,-0.3 0.354 91.8 98.6-103.1 1.7 15.0 34.9 55.7 479 473 A R < + 0 0 32 -3,-1.7 2,-0.3 -4,-0.4 -8,-0.0 -0.773 39.6 160.0 -95.7 139.5 18.3 32.9 55.8 480 474 A N > - 0 0 83 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.927 35.4-143.2-160.2 120.9 20.6 33.2 58.8 481 475 A W H > S+ 0 0 13 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.900 102.2 54.2 -58.4 -44.6 23.4 30.7 59.8 482 476 A D H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.903 113.3 44.0 -57.5 -42.0 22.8 31.0 63.5 483 477 A D H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.1 -2,-0.2 0.949 116.4 45.3 -63.2 -53.4 19.1 30.2 63.0 484 478 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.919 109.9 55.9 -59.0 -45.7 19.8 27.3 60.5 485 479 A K H X S+ 0 0 39 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.916 110.1 44.2 -54.4 -48.5 22.5 25.9 62.7 486 480 A E H X S+ 0 0 102 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.918 114.0 49.9 -67.8 -41.3 20.2 25.6 65.8 487 481 A R H X S+ 0 0 27 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.886 109.7 52.7 -59.6 -38.5 17.4 24.2 63.6 488 482 A L H X S+ 0 0 0 -4,-3.0 4,-0.9 2,-0.2 -2,-0.2 0.913 106.3 51.9 -66.3 -42.4 19.8 21.6 62.2 489 483 A I H >< S+ 0 0 10 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.952 110.7 48.7 -54.5 -50.5 20.9 20.5 65.7 490 484 A E H 3< S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.4 54.4 -59.3 -29.4 17.2 20.0 66.5 491 485 A H H >X S+ 0 0 0 -4,-1.5 3,-1.7 1,-0.2 4,-1.2 0.631 80.6 95.6 -79.5 -17.5 16.8 18.1 63.3 492 486 A T H S+ 0 0 41 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.835 104.4 56.7 -56.4 -29.8 17.4 12.8 65.5 494 488 A R H <> S+ 0 0 3 -3,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.898 105.3 48.8 -69.8 -38.5 15.5 12.8 62.2 495 489 A L H <>S+ 0 0 0 -4,-1.2 5,-2.1 -3,-0.4 4,-0.4 0.929 113.1 49.4 -62.2 -43.6 18.6 12.2 60.2 496 490 A Q H ><5S+ 0 0 119 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.926 109.2 51.7 -56.1 -48.1 19.4 9.3 62.6 497 491 A N H 3<5S+ 0 0 32 -4,-2.6 -353,-0.6 1,-0.3 -1,-0.2 0.791 104.9 55.9 -64.9 -31.0 15.9 7.9 62.3 498 492 A K T 3<5S- 0 0 21 -4,-1.7 -1,-0.3 -355,-0.1 -2,-0.2 0.528 115.2-116.3 -77.4 -8.4 16.1 7.9 58.5 499 493 A G T < 5 + 0 0 33 -3,-1.6 2,-0.5 -4,-0.4 -3,-0.2 0.727 58.8 159.1 78.1 22.8 19.3 5.7 58.8 500 494 A I < - 0 0 3 -5,-2.1 2,-1.7 -6,-0.2 -1,-0.3 -0.681 40.3-144.0 -81.8 126.6 21.4 8.5 57.2 501 495 A K + 0 0 116 -2,-0.5 -39,-0.1 -47,-0.1 -1,-0.1 -0.489 39.9 172.9 -90.1 66.4 25.1 8.0 58.0 502 496 A F - 0 0 31 -2,-1.7 2,-0.5 1,-0.1 -43,-0.2 -0.154 36.9-106.9 -71.9 162.8 25.6 11.8 58.2 503 497 A F - 0 0 38 -41,-2.4 2,-1.7 -44,-0.7 -1,-0.1 -0.844 22.6-134.5 -89.3 128.2 28.8 13.6 59.4 504 498 A A - 0 0 31 -2,-0.5 -491,-0.3 -491,-0.1 -488,-0.1 -0.628 30.4-149.3 -80.2 85.5 28.4 15.2 62.8 505 499 A D > - 0 0 0 -2,-1.7 3,-2.1 1,-0.2 -490,-0.4 -0.385 9.3-143.0 -66.3 122.9 30.0 18.5 61.7 506 500 A P T 3 S+ 0 0 30 0, 0.0 -497,-3.0 0, 0.0 -494,-0.2 0.561 98.4 66.1 -64.0 -7.9 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 0.511 360.0 360.0 -86.8 -5.3 30.7 23.6 63.2 508 502 A V < 0 0 0 -3,-2.1 -494,-3.1 -499,-0.1 -493,-0.7 -0.900 360.0 360.0-104.1 360.0 27.1 22.6 64.1