==== 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 3GH7 . COMPND 2 MOLECULE: BETA-HEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS SP.; . AUTHOR T.SUMIDA,R.ISHII,T.YANAGISAWA,S.YOKOYAMA,M.ITO,RIKEN . 506 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 12.3 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 . 38 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 25.1 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 1 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 2 4 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 0 215 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.2 26.2 98.0 67.3 2 -15 A H + 0 0 192 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.845 360.0 178.1-111.5 138.0 28.5 95.0 67.7 3 -14 A H - 0 0 171 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.936 2.8-179.2-136.9 157.6 28.8 92.1 65.3 4 -13 A H - 0 0 144 -2,-0.3 2,-0.2 0, 0.0 -2,-0.0 -0.991 22.2-123.1-153.5 159.4 30.8 88.8 65.0 5 -12 A S - 0 0 107 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.635 41.4 -92.7-100.5 164.1 31.3 85.8 62.8 6 -11 A S - 0 0 39 -2,-0.2 2,-0.2 1,-0.0 -1,-0.1 -0.518 37.0-174.3 -81.0 137.0 31.0 82.2 63.9 7 -10 A G - 0 0 52 -2,-0.2 2,-0.1 1,-0.1 -1,-0.0 -0.587 45.0 -64.6-108.6-175.8 33.9 80.0 65.2 8 -9 A L - 0 0 100 -2,-0.2 498,-0.2 1,-0.1 -1,-0.1 -0.394 61.7 -99.0 -68.0 148.8 33.9 76.4 66.1 9 -8 A V > - 0 0 20 496,-2.8 3,-1.9 1,-0.1 -1,-0.1 -0.528 38.8-110.2 -72.2 127.5 31.7 75.3 69.0 10 -7 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.326 101.8 12.7 -54.7 132.0 33.5 74.9 72.4 11 -6 A R T 3 S- 0 0 254 -3,-0.0 2,-0.1 3,-0.0 -2,-0.1 0.557 127.2 -67.3 75.2 11.8 33.6 71.3 73.4 12 -5 A G S < S- 0 0 34 -3,-1.9 492,-0.1 493,-0.1 4,-0.0 -0.239 77.0 -26.3 108.0 171.6 32.5 70.0 70.0 13 -4 A S > - 0 0 18 490,-0.3 3,-1.1 1,-0.1 493,-0.1 -0.285 39.3-143.0 -58.2 136.7 29.6 69.8 67.6 14 -3 A H T 3 S+ 0 0 100 493,-2.9 -1,-0.1 490,-0.3 489,-0.0 0.707 103.0 66.6 -67.4 -22.2 26.1 70.1 68.9 15 -2 A M T 3 0 0 5 492,-0.7 -1,-0.2 489,-0.4 -2,-0.1 0.477 360.0 360.0 -75.6 -3.0 25.2 67.5 66.2 16 -1 A A < 0 0 106 -3,-1.1 -2,-0.2 488,-0.1 -1,-0.2 0.868 360.0 360.0 -91.3 360.0 27.3 65.0 68.1 17 ! 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 18 13 A T 0 0 177 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -21.9 4.9 71.4 74.4 19 14 A S - 0 0 41 2,-0.0 134,-0.1 117,-0.0 117,-0.1 -0.874 360.0-155.9-176.7 139.3 6.2 70.8 70.8 20 15 A Q - 0 0 115 -2,-0.2 118,-0.2 115,-0.1 116,-0.0 -0.697 11.9-169.2-132.3 83.0 9.2 71.6 68.6 21 16 A P - 0 0 19 0, 0.0 2,-0.4 0, 0.0 114,-0.2 -0.331 10.6-151.5 -58.7 147.0 8.7 71.6 64.8 22 17 A S - 0 0 5 112,-2.7 2,-0.6 114,-0.3 113,-0.1 -0.664 15.2-174.4-128.5 79.8 11.9 71.7 62.7 23 18 A I - 0 0 12 -2,-0.4 108,-0.1 112,-0.1 170,-0.1 -0.622 7.6-159.8 -86.8 119.4 11.2 73.4 59.4 24 19 A L S S+ 0 0 1 -2,-0.6 2,-0.2 168,-0.2 -2,-0.1 -0.978 76.7 38.1-144.7 120.4 14.0 73.5 56.9 25 20 A P S S- 0 0 0 0, 0.0 -1,-0.1 0, 0.0 444,-0.1 0.523 107.1-110.7 -65.8 156.2 14.2 75.4 54.6 26 21 A K - 0 0 47 -2,-0.2 448,-0.1 1,-0.1 -2,-0.1 -0.430 36.1-129.4 -60.7 128.4 12.7 78.3 56.6 27 22 A P - 0 0 8 0, 0.0 133,-0.2 0, 0.0 3,-0.1 -0.342 21.4-104.5 -80.8 162.9 9.2 79.1 55.3 28 23 A V S S- 0 0 77 1,-0.2 2,-0.3 131,-0.2 132,-0.2 0.890 102.2 -0.6 -57.3 -42.1 8.0 82.7 54.4 29 24 A S E +A 159 0A 47 130,-2.3 130,-1.3 2,-0.0 2,-0.3 -0.997 60.4 177.0-149.7 151.7 6.0 82.8 57.7 30 25 A Y E +A 158 0A 83 -2,-0.3 2,-0.3 128,-0.2 128,-0.2 -0.888 8.6 168.6-154.5 113.7 5.3 80.6 60.6 31 26 A T E -A 157 0A 86 126,-2.2 126,-2.7 -2,-0.3 2,-0.4 -0.967 17.8-150.3-126.6 149.4 3.3 81.5 63.7 32 27 A V E -A 156 0A 87 -2,-0.3 124,-0.3 124,-0.2 2,-0.2 -0.940 12.0-174.1-119.9 144.6 2.0 79.3 66.4 33 28 A G E - 0 0 41 122,-2.4 122,-0.3 -2,-0.4 2,-0.2 -0.368 40.8 -62.4-116.1-164.5 -1.2 79.7 68.5 34 29 A S E S+ 0 0 114 -2,-0.2 -1,-0.1 120,-0.1 2,-0.1 -0.592 93.0 26.9 -89.3 147.8 -2.6 77.9 71.5 35 30 A G E - 0 0 47 -2,-0.2 120,-2.3 120,-0.1 2,-0.3 -0.285 68.4-117.0 98.5 179.7 -3.6 74.2 71.3 36 31 A Q E -A 154 0A 60 118,-0.3 2,-0.4 -2,-0.1 75,-0.0 -0.987 7.9-124.3-157.3 152.9 -2.5 71.3 69.3 37 32 A F E -A 153 0A 0 116,-3.2 116,-2.4 -2,-0.3 2,-0.5 -0.835 25.4-149.7 -95.2 141.0 -3.6 68.7 66.8 38 33 A V E -A 152 0A 46 74,-0.5 2,-0.7 -2,-0.4 114,-0.2 -0.970 4.9-145.0-115.8 122.3 -3.2 65.0 67.7 39 34 A L + 0 0 2 112,-3.5 112,-0.4 -2,-0.5 2,-0.2 -0.767 30.3 179.0 -81.4 114.9 -2.6 62.5 64.9 40 35 A T > - 0 0 60 -2,-0.7 3,-2.2 48,-0.3 33,-0.0 -0.662 45.1 -95.8-115.5 172.8 -4.3 59.2 66.1 41 36 A K T 3 S+ 0 0 148 1,-0.3 35,-0.5 -2,-0.2 -2,-0.0 0.643 120.9 58.0 -64.2 -16.4 -4.8 55.7 64.6 42 37 A N T 3 S+ 0 0 128 33,-0.1 -1,-0.3 35,-0.1 2,-0.0 0.345 78.2 123.2 -95.7 3.7 -8.2 56.8 63.2 43 38 A A < - 0 0 6 -3,-2.2 35,-0.5 46,-0.1 2,-0.3 -0.344 40.1-167.5 -64.9 142.6 -6.9 59.7 61.1 44 39 A S E -b 78 0A 26 33,-0.2 46,-2.1 42,-0.2 2,-0.5 -0.905 20.6-126.5-120.9 157.6 -7.6 59.8 57.4 45 40 A I E -bc 79 90A 0 33,-2.5 35,-2.9 -2,-0.3 2,-0.4 -0.938 25.0-159.3-100.4 123.8 -6.2 62.1 54.7 46 41 A F E -bc 80 91A 20 44,-3.3 46,-3.1 -2,-0.5 2,-0.4 -0.868 6.2-164.9-103.4 139.9 -8.9 63.8 52.7 47 42 A V E +bc 81 92A 1 33,-2.5 35,-1.3 -2,-0.4 2,-0.3 -0.973 11.5 172.2-128.0 142.0 -8.1 65.2 49.2 48 43 A A E + c 0 93A 8 44,-2.0 46,-1.7 -2,-0.4 47,-0.6 -0.907 2.5 173.9-153.3 117.5 -10.0 67.7 47.1 49 44 A G - 0 0 12 -2,-0.3 46,-0.1 2,-0.2 6,-0.1 -0.557 48.7 -94.9-114.8-177.4 -9.0 69.4 43.8 50 45 A N S S+ 0 0 98 -2,-0.2 2,-0.3 44,-0.1 3,-0.0 0.664 105.7 8.1 -77.5 -14.6 -10.9 71.7 41.4 51 46 A N S > S- 0 0 97 1,-0.0 4,-2.7 0, 0.0 -2,-0.2 -0.937 88.2 -92.7-154.3 171.4 -11.8 68.7 39.1 52 47 A V H > S+ 0 0 118 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.843 120.9 53.5 -61.5 -38.2 -11.7 65.0 39.2 53 48 A G H > S+ 0 0 43 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.908 112.4 44.7 -65.8 -40.5 -8.3 64.7 37.4 54 49 A E H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.905 111.3 53.1 -69.1 -41.3 -6.7 67.1 39.9 55 50 A T H X S+ 0 0 21 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.925 107.1 53.3 -57.8 -43.3 -8.3 65.3 42.8 56 51 A D H X S+ 0 0 71 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.857 109.2 48.4 -59.9 -36.8 -6.8 62.0 41.4 57 52 A E H X S+ 0 0 77 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.925 111.5 49.1 -69.6 -43.7 -3.4 63.6 41.4 58 53 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.839 104.6 61.2 -61.9 -33.8 -3.8 64.8 44.9 59 54 A F H X S+ 0 0 45 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.906 103.7 48.3 -60.1 -42.9 -5.0 61.3 45.9 60 55 A N H X S+ 0 0 102 -4,-1.4 4,-1.8 -3,-0.2 -1,-0.2 0.874 111.6 50.0 -62.2 -40.7 -1.6 59.9 44.8 61 56 A I H X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.924 109.6 51.5 -62.7 -47.0 0.2 62.6 46.9 62 57 A G H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.891 108.7 51.1 -54.9 -43.8 -2.0 61.8 49.9 63 58 A Q H X S+ 0 0 96 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.881 108.3 51.3 -65.3 -38.7 -1.1 58.1 49.5 64 59 A A H X S+ 0 0 44 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.911 112.5 47.0 -61.1 -44.2 2.7 59.0 49.5 65 60 A L H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.917 111.0 51.1 -62.8 -45.4 2.1 61.1 52.7 66 61 A A H X S+ 0 0 5 -4,-2.7 4,-2.9 1,-0.2 11,-0.3 0.898 105.6 56.3 -59.0 -42.4 0.2 58.2 54.3 67 62 A K H X S+ 0 0 158 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.925 110.6 44.1 -54.4 -46.9 3.0 55.8 53.5 68 63 A K H X S+ 0 0 56 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.898 115.5 46.6 -68.1 -45.2 5.5 58.0 55.4 69 64 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.5 0.879 111.4 52.2 -61.9 -43.3 3.2 58.6 58.4 70 65 A N H X S+ 0 0 34 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.824 100.1 62.5 -65.3 -34.1 2.3 54.9 58.7 71 66 A A H < S+ 0 0 37 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.826 116.6 27.6 -62.8 -34.7 5.9 53.7 58.7 72 67 A S H < S+ 0 0 0 -4,-0.8 74,-3.2 -3,-0.5 -2,-0.2 0.792 126.5 42.8 -97.5 -36.1 6.7 55.6 62.0 73 68 A T H < S- 0 0 10 -4,-2.2 -3,-0.2 72,-0.2 -2,-0.2 0.791 95.9-134.6 -79.5 -27.6 3.3 55.7 63.7 74 69 A G < + 0 0 41 -4,-1.8 -4,-0.2 -5,-0.3 -3,-0.1 0.560 62.0 132.2 77.2 11.9 2.5 52.1 62.8 75 70 A Y - 0 0 56 -6,-0.4 -1,-0.2 -5,-0.1 -33,-0.1 -0.224 61.5-132.0 -80.5 177.5 -1.0 53.4 61.8 76 71 A T - 0 0 125 -35,-0.5 2,-0.1 -33,-0.1 -9,-0.1 -0.467 32.6-179.7-127.2 62.0 -2.8 52.5 58.6 77 72 A I - 0 0 7 -11,-0.3 2,-0.3 -33,-0.1 -33,-0.2 -0.411 9.1-163.0 -61.9 128.7 -3.9 56.0 57.5 78 73 A S E -b 44 0A 67 -35,-0.5 -33,-2.5 -2,-0.1 2,-0.4 -0.743 14.1-116.5-114.8 169.2 -5.9 55.8 54.3 79 74 A V E -b 45 0A 18 -2,-0.3 2,-0.4 -35,-0.2 -33,-0.2 -0.845 22.7-165.7-115.3 141.1 -6.8 58.5 51.8 80 75 A V E -b 46 0A 50 -35,-2.9 -33,-2.5 -2,-0.4 2,-1.1 -0.970 21.6-134.3-131.5 132.4 -10.3 59.7 50.9 81 76 A K E +b 47 0A 105 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.1 -0.787 64.8 109.2 -86.4 98.8 -11.5 61.7 47.9 82 77 A S - 0 0 32 -35,-1.3 -2,-0.1 -2,-1.1 -35,-0.0 -0.943 63.0-143.7-168.4 144.6 -13.8 64.2 49.7 83 78 A N S S+ 0 0 105 -2,-0.3 -35,-0.1 1,-0.2 -2,-0.0 0.059 87.2 84.1 -98.5 20.7 -14.0 67.9 50.6 84 79 A Q - 0 0 151 2,-0.0 -1,-0.2 0, 0.0 7,-0.0 -0.501 66.5-171.6-118.9 64.9 -15.7 67.0 53.9 85 80 A P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.229 15.4-133.3 -61.9 148.7 -12.9 66.2 56.3 86 81 A T > - 0 0 86 1,-0.1 3,-1.7 4,-0.1 -42,-0.2 -0.566 38.1 -75.2 -98.4 155.9 -13.7 64.7 59.6 87 82 A A T 3 S+ 0 0 71 1,-0.3 27,-0.2 -2,-0.2 -1,-0.1 -0.284 123.2 29.0 -53.0 138.9 -12.3 65.9 63.0 88 83 A G T 3 S+ 0 0 19 25,-3.6 -48,-0.3 1,-0.3 -1,-0.3 0.459 97.9 130.9 84.4 4.6 -8.7 64.5 63.4 89 84 A S E < - d 0 114A 0 -3,-1.7 26,-2.2 24,-0.6 2,-0.5 -0.486 57.6-134.0 -88.3 154.3 -8.2 64.5 59.6 90 85 A I E -cd 45 115A 2 -46,-2.1 -44,-3.3 24,-0.2 2,-0.5 -0.939 27.4-158.9 -95.6 133.8 -5.4 65.9 57.4 91 86 A Y E -cd 46 116A 29 24,-3.8 26,-3.2 -2,-0.5 2,-0.5 -0.964 10.3-171.3-122.7 121.4 -6.9 67.8 54.4 92 87 A L E +cd 47 117A 0 -46,-3.1 -44,-2.0 -2,-0.5 2,-0.3 -0.957 20.4 161.0-113.8 120.6 -5.1 68.5 51.2 93 88 A T E -cd 48 118A 6 24,-2.9 26,-2.5 -2,-0.5 -44,-0.2 -0.983 40.5-169.5-143.5 151.9 -6.7 70.8 48.7 94 89 A T > + 0 0 2 -46,-1.7 3,-1.0 -2,-0.3 2,-0.7 0.219 58.4 117.5-116.1 8.3 -6.1 73.1 45.7 95 90 A V T 3 S+ 0 0 73 -47,-0.6 25,-0.1 1,-0.2 -2,-0.0 -0.697 88.8 2.7 -80.3 114.1 -9.5 74.7 45.9 96 91 A G T 3 S+ 0 0 70 -2,-0.7 -1,-0.2 1,-0.2 24,-0.1 0.665 86.3 179.0 83.9 18.8 -9.0 78.4 46.5 97 92 A G < - 0 0 20 -3,-1.0 2,-1.0 22,-0.5 -1,-0.2 -0.137 39.0-107.8 -47.5 142.4 -5.2 78.5 46.5 98 93 A N > - 0 0 82 20,-0.2 3,-2.5 1,-0.2 4,-0.2 -0.703 28.2-154.9 -77.3 103.5 -3.5 81.8 47.0 99 94 A A G > S+ 0 0 81 -2,-1.0 3,-1.8 1,-0.3 -1,-0.2 0.733 87.1 70.6 -54.3 -28.8 -2.2 82.5 43.5 100 95 A A G 3 S+ 0 0 81 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.730 89.7 63.9 -61.7 -21.7 0.5 84.8 44.8 101 96 A L G <> S- 0 0 21 -3,-2.5 4,-0.8 1,-0.2 3,-0.3 0.569 97.5-151.2 -81.1 -9.1 2.3 81.7 46.2 102 97 A G T X4 - 0 0 30 -3,-1.8 3,-0.7 -4,-0.2 18,-0.5 -0.046 41.6 -41.7 71.5-174.5 2.8 80.2 42.7 103 98 A N T 34 S+ 0 0 88 1,-0.2 21,-0.7 17,-0.1 18,-0.3 0.790 140.0 37.1 -60.7 -31.8 3.1 76.6 41.6 104 99 A E T 34 S+ 0 0 14 -3,-0.3 -1,-0.2 19,-0.1 -2,-0.2 0.469 97.6 97.1-103.1 -3.7 5.2 75.5 44.6 105 100 A G << + 0 0 0 -4,-0.8 15,-0.7 -3,-0.7 16,-0.4 -0.352 44.0 168.6 -87.8 169.6 3.7 77.6 47.4 106 101 A Y E -EF 119 160A 0 54,-1.8 54,-1.6 13,-0.2 2,-0.4 -0.977 32.6-124.2-168.3 155.2 1.1 76.6 49.9 107 102 A D E -EF 118 159A 35 11,-3.0 11,-2.6 -2,-0.3 2,-0.4 -0.922 23.2-167.6-105.9 145.0 -0.7 77.6 53.1 108 103 A L E +EF 117 158A 0 50,-2.5 50,-1.9 -2,-0.4 2,-0.5 -0.916 8.7 178.4-138.5 103.6 -0.6 75.0 56.0 109 104 A I E -EF 116 157A 67 7,-2.6 7,-3.0 -2,-0.4 2,-0.5 -0.944 9.0-165.5-116.6 122.9 -2.9 75.7 58.8 110 105 A T E +EF 115 156A 0 46,-2.5 46,-1.6 -2,-0.5 5,-0.2 -0.941 12.3 172.1-109.9 123.4 -3.2 73.4 61.8 111 106 A T - 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0 0 8 -2,-0.3 3,-1.9 1,-0.1 4,-0.7 -0.990 26.6-121.2-140.2 144.7 23.5 84.4 47.8 429 424 A P H >> S+ 0 0 0 0, 0.0 4,-0.9 0, 0.0 3,-0.9 0.828 114.1 61.7 -51.8 -33.1 23.1 83.5 44.0 430 425 A T H 34 S+ 0 0 48 1,-0.2 6,-0.1 2,-0.2 5,-0.0 0.685 93.7 64.3 -68.5 -18.7 23.4 87.3 43.3 431 426 A D H <4 S+ 0 0 77 -3,-1.9 -1,-0.2 1,-0.2 3,-0.1 0.861 101.3 51.9 -63.8 -36.2 26.9 87.1 44.7 432 427 A C H << S+ 0 0 16 -3,-0.9 2,-0.3 -4,-0.7 -2,-0.2 0.804 123.1 7.5 -76.7 -36.6 27.9 84.8 41.9 433 428 A I < - 0 0 11 -4,-0.9 2,-0.4 3,-0.1 3,-0.3 -0.982 64.6-148.3-151.6 135.1 26.7 86.7 38.9 434 429 A K S S+ 0 0 133 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 -0.847 77.9 17.7-106.7 145.8 25.4 90.3 38.4 435 430 A G S S+ 0 0 78 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.681 95.4 125.1 73.0 21.4 22.8 91.4 35.8 436 431 A A S S- 0 0 28 -3,-0.3 2,-1.1 -6,-0.1 -1,-0.2 -0.717 71.6-114.8-110.9 159.3 21.6 87.8 35.0 437 432 A N E - n 0 391B 98 -47,-0.5 -45,-2.1 -2,-0.3 2,-0.8 -0.843 40.7-155.7 -83.4 97.4 18.3 86.0 34.9 438 433 A I E - n 0 392B 26 -2,-1.1 -45,-0.2 -47,-0.2 -272,-0.1 -0.743 17.8-176.5 -86.7 110.9 19.2 83.6 37.7 439 434 A Y E - 0 0 15 -47,-2.1 -273,-2.0 -2,-0.8 -274,-0.6 0.880 53.7 -86.7 -73.7 -40.8 17.1 80.4 37.3 440 435 A G E -gn 166 393B 0 -48,-1.3 -46,-2.9 -275,-0.2 2,-0.3 -0.987 46.8 -53.7 167.8-151.9 18.4 79.0 40.5 441 436 A V E -gn 167 394B 4 -275,-2.3 -273,-2.7 -2,-0.3 2,-0.4 -0.855 28.5-164.1-120.5 145.9 21.1 77.0 42.4 442 437 A E E -g 168 0B 0 -48,-2.2 2,-0.4 -2,-0.3 -273,-0.2 -0.946 11.8-148.0-136.9 125.0 22.5 73.5 42.0 443 438 A S E -g 169 0B 2 -275,-2.8 -273,-2.9 -2,-0.4 2,-0.6 -0.708 20.9-149.8 -80.8 126.2 24.5 71.6 44.6 444 439 A T E -go 170 400B 0 -45,-2.8 -43,-0.9 -2,-0.4 2,-0.8 -0.899 13.5-169.2-108.6 118.6 27.1 69.5 42.8 445 440 A L E -g 171 0B 0 -275,-2.6 -273,-2.3 -2,-0.6 2,-0.1 -0.767 11.0-173.3-106.5 89.1 28.2 66.2 44.4 446 441 A W - 0 0 18 -2,-0.8 3,-0.2 -275,-0.2 -273,-0.0 -0.466 13.0-150.1 -72.2 149.8 31.2 65.0 42.3 447 442 A T + 0 0 0 1,-0.2 3,-0.4 -2,-0.1 -220,-0.1 0.008 53.9 123.1-125.8 32.0 32.4 61.6 43.3 448 443 A E S S+ 0 0 23 1,-0.2 -1,-0.2 -161,-0.1 -2,-0.0 0.863 97.2 22.9 -51.2 -39.1 36.2 61.3 42.7 449 444 A T S S+ 0 0 47 -3,-0.2 2,-0.5 -47,-0.1 -1,-0.2 0.303 103.5 94.9-116.4 7.9 36.6 60.4 46.4 450 445 A F + 0 0 0 -3,-0.4 3,-0.1 1,-0.1 -39,-0.0 -0.914 33.4 156.5-110.5 121.8 33.2 59.0 47.3 451 446 A V + 0 0 76 -2,-0.5 2,-0.2 1,-0.1 -1,-0.1 0.751 56.7 42.2-113.2 -38.1 32.8 55.2 47.1 452 447 A T S > S- 0 0 59 1,-0.1 4,-1.6 -274,-0.1 3,-0.4 -0.665 81.4-109.1-115.4 166.3 29.9 54.3 49.4 453 448 A Q H > S+ 0 0 49 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.879 118.7 60.7 -56.9 -39.3 26.5 55.5 50.4 454 449 A D H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 102.6 51.9 -57.9 -36.9 27.9 56.5 53.7 455 450 A H H > S+ 0 0 56 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.910 109.1 49.2 -64.7 -45.7 30.4 58.9 51.9 456 451 A L H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 5,-0.3 0.945 112.6 48.2 -55.1 -50.0 27.5 60.5 50.0 457 452 A D H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 45,-0.4 0.911 108.7 54.0 -57.2 -47.2 25.6 61.0 53.2 458 453 A Y H < S+ 0 0 50 -4,-2.3 44,-0.7 43,-0.3 5,-0.3 0.869 115.7 37.8 -58.0 -39.3 28.5 62.5 55.1 459 454 A M H < S+ 0 0 0 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.836 118.6 46.2 -86.4 -33.3 29.2 65.2 52.4 460 455 A L H X S+ 0 0 2 -4,-2.5 4,-3.4 -5,-0.2 5,-0.5 0.739 96.7 93.1 -79.6 -26.3 25.6 66.0 51.6 461 456 A Y T < S- 0 0 0 -4,-2.1 41,-2.4 -5,-0.3 -1,-0.2 -0.965 103.1 -1.5-126.2 120.1 24.3 66.3 55.1 462 457 A P T >> S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 4,-1.2 -0.975 128.6 64.9 -89.9 0.6 24.3 68.8 56.6 463 458 A K H 3> S+ 0 0 0 -4,-0.3 4,-1.9 1,-0.3 3,-0.2 0.808 100.1 52.9 -51.3 -41.9 25.8 70.8 53.6 464 459 A L H 3X S+ 0 0 0 -4,-3.4 4,-3.3 1,-0.2 -1,-0.3 0.815 101.7 60.9 -65.6 -33.0 22.9 70.3 51.3 465 460 A L H <> S+ 0 0 0 -3,-1.2 4,-1.7 -5,-0.5 -1,-0.2 0.889 105.3 48.4 -59.7 -40.6 20.5 71.6 53.9 466 461 A S H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.2 -2,-0.2 0.955 113.9 45.7 -62.0 -51.6 22.4 74.9 53.8 467 462 A N H X S+ 0 0 2 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.894 109.0 56.0 -59.3 -44.1 22.2 75.0 50.0 468 463 A A H X S+ 0 0 3 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.854 107.8 48.5 -57.5 -39.9 18.5 74.0 50.0 469 464 A E H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.885 106.6 56.3 -69.1 -39.6 17.7 77.0 52.2 470 465 A V H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 112.5 43.5 -54.8 -37.6 19.7 79.4 49.9 471 466 A G H < S+ 0 0 0 -4,-1.7 -307,-1.8 -5,-0.1 -308,-0.4 0.870 126.0 29.3 -75.5 -38.0 17.5 78.2 47.0 472 467 A W H < S+ 0 0 2 -4,-1.9 -309,-1.5 -309,-0.2 2,-0.2 0.921 105.6 68.9 -90.7 -51.8 14.2 78.4 48.9 473 468 A T S < S- 0 0 5 -4,-2.2 5,-0.1 -5,-0.2 -445,-0.0 -0.520 85.5-110.0 -83.9 135.6 14.4 81.1 51.6 474 469 A A > - 0 0 38 -2,-0.2 3,-1.7 -448,-0.1 4,-0.3 -0.332 26.9-119.7 -61.3 143.7 14.6 84.8 50.7 475 470 A R G > S+ 0 0 128 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.838 111.6 59.8 -55.6 -40.3 17.9 86.4 51.4 476 471 A G G 3 S+ 0 0 85 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.721 107.4 46.8 -62.0 -21.6 16.4 88.9 53.8 477 472 A D G < S+ 0 0 67 -3,-1.7 2,-0.4 -451,-0.1 -1,-0.3 0.377 92.6 99.4-100.2 2.1 15.1 86.0 56.0 478 473 A R < + 0 0 31 -3,-1.4 2,-0.3 -4,-0.3 -8,-0.0 -0.760 40.1 159.2 -96.7 138.0 18.4 84.0 56.0 479 474 A N > - 0 0 84 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.918 35.9-143.6-160.9 121.1 20.8 84.3 59.0 480 475 A W H > S+ 0 0 13 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.898 101.2 55.0 -59.6 -43.4 23.5 81.8 60.0 481 476 A D H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 113.5 43.5 -57.6 -41.6 23.0 82.2 63.7 482 477 A D H > S+ 0 0 49 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.956 115.9 45.9 -64.4 -55.1 19.3 81.3 63.2 483 478 A F H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.895 109.3 57.0 -57.7 -44.2 19.9 78.4 60.8 484 479 A K H X S+ 0 0 31 -4,-3.4 4,-1.8 -5,-0.2 -1,-0.2 0.919 109.6 43.7 -52.5 -49.8 22.7 77.0 63.0 485 480 A E H X S+ 0 0 103 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.902 114.2 50.8 -67.2 -41.0 20.3 76.7 66.0 486 481 A R H X S+ 0 0 27 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.869 106.8 54.8 -60.1 -40.1 17.6 75.3 63.8 487 482 A L H X S+ 0 0 0 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.902 105.0 52.6 -63.3 -40.8 20.0 72.7 62.4 488 483 A I H >< S+ 0 0 31 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.933 110.5 48.5 -56.4 -47.4 20.9 71.5 66.0 489 484 A E H 3< S+ 0 0 61 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.844 111.2 51.2 -61.2 -34.9 17.1 71.0 66.6 490 485 A H H >X S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.2 4,-1.2 0.646 83.9 93.0 -76.8 -19.4 16.9 69.1 63.3 491 486 A T H XX S+ 0 0 4 -4,-1.1 4,-2.2 -3,-0.8 3,-0.6 0.853 79.2 55.1 -52.0 -46.1 19.8 66.7 64.1 492 487 A P H 3> S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.779 104.2 57.3 -56.9 -26.7 17.6 63.9 65.6 493 488 A R H <> S+ 0 0 5 -3,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.876 104.8 49.6 -72.9 -36.5 15.6 63.9 62.4 494 489 A L H <<>S+ 0 0 0 -4,-1.2 5,-2.0 -3,-0.6 4,-0.4 0.933 111.9 49.8 -60.2 -47.7 18.7 63.2 60.3 495 490 A Q H ><5S+ 0 0 103 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.939 109.6 51.4 -51.2 -52.4 19.5 60.4 62.8 496 491 A N H 3<5S+ 0 0 32 -4,-2.5 -353,-0.6 1,-0.3 -1,-0.2 0.810 104.4 56.1 -60.7 -34.1 16.0 59.0 62.4 497 492 A K T 3<5S- 0 0 21 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.509 115.5-115.1 -77.0 -6.4 16.2 59.0 58.6 498 493 A G T < 5 + 0 0 30 -3,-1.7 2,-0.5 -4,-0.4 -3,-0.2 0.677 60.0 158.8 79.0 20.2 19.3 56.8 58.8 499 494 A I < - 0 0 4 -5,-2.0 2,-1.7 -6,-0.2 -1,-0.3 -0.647 40.2-145.0 -81.6 124.5 21.5 59.5 57.3 500 495 A K + 0 0 118 -2,-0.5 -39,-0.1 -47,-0.1 -1,-0.1 -0.458 39.2 173.3 -86.9 65.3 25.2 59.1 58.1 501 496 A F - 0 0 36 -2,-1.7 2,-0.5 1,-0.1 -43,-0.3 -0.171 37.4-105.2 -71.5 160.2 25.7 62.9 58.3 502 497 A F - 0 0 35 -41,-2.4 2,-1.7 -44,-0.7 -1,-0.1 -0.791 24.2-134.2 -85.6 128.1 28.9 64.7 59.4 503 498 A A - 0 0 28 -2,-0.5 -490,-0.3 -490,-0.1 -487,-0.1 -0.622 30.6-149.6 -80.5 83.9 28.5 66.2 62.9 504 499 A D > - 0 0 0 -2,-1.7 3,-2.0 1,-0.2 -489,-0.4 -0.371 10.8-144.3 -65.8 122.6 30.1 69.5 61.9 505 500 A P T 3 S+ 0 0 31 0, 0.0 -496,-2.8 0, 0.0 -1,-0.2 0.593 98.1 66.1 -61.3 -12.1 31.9 71.3 64.7 506 501 A I T 3 0 0 5 -498,-0.2 -2,-0.1 -493,-0.1 -499,-0.1 0.579 360.0 360.0 -84.1 -11.3 30.8 74.7 63.4 507 502 A V < 0 0 0 -3,-2.0 -493,-2.9 -498,-0.1 -492,-0.7 -0.860 360.0 360.0-100.4 360.0 27.2 73.7 64.3