==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-AUG-08 2VZT . COMPND 2 MOLECULE: EXO-BETA-D-GLUCOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; . AUTHOR A.LAMMERTS VAN BUEREN,M.G.GHINET,K.GREGG,A.FLEURY, . 1700 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1115 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 436 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 134 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 1 0 0 4 0 4 2 2 0 4 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 2 4 2 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 . 16 9 4 9 9 8 1 4 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 6 10 2 2 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 49 A G 0 0 54 0, 0.0 175,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 2.3 28.9 32.5 108.3 2 50 A N + 0 0 73 173,-0.4 173,-2.0 2,-0.0 2,-0.2 -0.433 360.0 171.9 -59.6 133.5 29.4 36.3 107.9 3 51 A A E +A 174 0A 43 171,-0.2 171,-0.2 -2,-0.1 169,-0.0 -0.790 9.8 175.1-140.3 103.2 31.6 37.6 105.0 4 52 A T E -A 173 0A 71 169,-2.5 169,-2.7 -2,-0.2 2,-0.1 -0.937 26.4-129.9-113.2 122.6 31.3 41.4 104.7 5 53 A P E -A 172 0A 54 0, 0.0 167,-0.2 0, 0.0 165,-0.0 -0.402 28.6-109.9 -66.3 143.3 33.4 43.4 102.3 6 54 A I - 0 0 2 165,-2.6 165,-0.3 1,-0.1 3,-0.1 -0.665 29.7-150.6 -67.6 118.5 35.2 46.4 103.6 7 55 A P - 0 0 111 0, 0.0 31,-1.5 0, 0.0 2,-0.3 0.781 61.2 -22.2 -69.3 -25.7 33.3 49.3 102.0 8 56 A G E -D 37 0B 20 29,-0.3 2,-0.3 -3,-0.0 29,-0.2 -0.977 52.9-146.3-173.2 172.7 36.1 51.8 101.8 9 57 A Y E -D 36 0B 13 27,-2.4 27,-3.1 -2,-0.3 2,-0.4 -0.851 20.2-123.0-139.9 166.4 39.5 53.0 103.1 10 58 A V E -DE 35 76B 38 66,-2.0 66,-2.3 -2,-0.3 2,-0.3 -0.973 37.6-161.4-108.8 138.6 41.4 56.2 103.7 11 59 A I E +DE 34 75B 0 23,-2.2 23,-3.2 -2,-0.4 2,-0.3 -0.897 18.7 160.8-125.1 153.8 44.8 56.2 101.9 12 60 A Q E - E 0 74B 13 62,-1.2 62,-3.0 -2,-0.3 21,-0.1 -0.967 41.9 -89.5-160.7 154.6 48.0 58.1 102.1 13 61 A S E > - E 0 73B 12 -2,-0.3 3,-1.8 60,-0.2 60,-0.3 -0.340 29.3-127.3 -62.8 143.0 51.7 57.8 101.0 14 62 A S G > S+ 0 0 21 58,-3.0 3,-1.4 1,-0.3 59,-0.1 0.595 104.0 82.9 -67.8 -10.0 54.1 56.0 103.4 15 63 A A G 3 S+ 0 0 85 57,-0.3 -1,-0.3 1,-0.2 58,-0.1 0.679 93.8 48.3 -59.5 -18.5 56.2 59.3 102.9 16 64 A Q G < S+ 0 0 133 -3,-1.8 2,-0.5 1,-0.1 -1,-0.2 0.375 100.1 73.5-104.7 4.5 53.8 60.5 105.6 17 65 A V < + 0 0 17 -3,-1.4 3,-0.2 1,-0.1 -1,-0.1 -0.962 44.1 170.0-126.5 114.7 54.2 57.6 108.0 18 66 A S S S+ 0 0 132 -2,-0.5 2,-0.5 1,-0.2 -1,-0.1 0.659 76.7 47.2 -99.2 -20.1 57.4 57.2 110.0 19 67 A D >> - 0 0 81 1,-0.1 3,-0.8 2,-0.0 4,-0.6 -0.944 64.5-168.2-123.8 104.4 56.1 54.4 112.3 20 68 A D H >> S+ 0 0 39 -2,-0.5 3,-1.2 1,-0.2 4,-0.5 0.893 86.4 60.2 -57.0 -44.0 54.3 51.5 110.5 21 69 A S H 34 S+ 0 0 28 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.778 96.0 64.3 -56.1 -31.0 53.0 50.0 113.7 22 70 A A H X4 S+ 0 0 22 -3,-0.8 3,-1.3 1,-0.2 -1,-0.2 0.787 86.8 69.7 -64.1 -34.2 51.1 53.2 114.5 23 71 A V H << S+ 0 0 0 -3,-1.2 5,-0.2 -4,-0.6 -1,-0.2 0.907 99.8 43.5 -59.2 -47.2 48.7 53.1 111.5 24 72 A S T 3< S+ 0 0 0 -4,-0.5 80,-0.9 -3,-0.3 111,-0.4 0.325 87.0 108.8 -87.5 6.9 46.5 50.1 112.5 25 73 A K S X S- 0 0 98 -3,-1.3 3,-2.2 79,-0.2 111,-0.1 -0.731 83.3-107.2 -79.8 123.8 46.2 51.3 116.2 26 74 A P T 3 S+ 0 0 54 0, 0.0 109,-0.1 0, 0.0 -1,-0.1 -0.264 107.7 33.3 -51.0 134.8 42.6 52.5 116.9 27 75 A G T 3 S+ 0 0 74 1,-0.3 -3,-0.1 -4,-0.1 -4,-0.1 0.219 77.5 149.7 97.6 -14.6 42.8 56.3 117.3 28 76 A F < - 0 0 45 -3,-2.2 -1,-0.3 -5,-0.2 2,-0.2 -0.306 50.5-117.0 -55.0 128.7 45.6 56.9 114.7 29 77 A P + 0 0 100 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.495 33.1 178.1 -75.0 141.7 45.1 60.4 113.1 30 78 A T > + 0 0 46 -2,-0.2 3,-1.8 3,-0.1 2,-0.2 -0.137 17.0 156.9-138.4 33.9 44.4 60.4 109.4 31 79 A S T 3 S+ 0 0 121 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.484 75.7 17.7 -66.6 128.8 43.9 64.2 108.7 32 80 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 -2,-0.2 2,-0.1 0.397 94.1 133.7 80.7 -3.3 44.6 64.8 105.0 33 81 A W < - 0 0 28 -3,-1.8 -1,-0.3 -21,-0.1 -21,-0.2 -0.450 60.1-113.1 -70.0 152.7 44.2 61.1 104.1 34 82 A Y E -D 11 0B 43 -23,-3.2 -23,-2.2 -2,-0.1 2,-0.3 -0.792 17.7-136.8 -97.5 120.3 42.0 60.3 101.0 35 83 A P E +D 10 0B 77 0, 0.0 2,-0.3 0, 0.0 -25,-0.3 -0.550 33.2 175.3 -72.0 132.9 38.7 58.5 101.5 36 84 A V E -D 9 0B 7 -27,-3.1 -27,-2.4 -2,-0.3 3,-0.1 -0.988 26.4-120.7-137.6 149.3 38.4 55.9 98.7 37 85 A S E > -D 8 0B 54 -2,-0.3 3,-0.6 -29,-0.2 -29,-0.3 -0.192 49.4 -70.6 -78.0 174.5 35.8 53.2 97.9 38 86 A S T 3 S+ 0 0 23 -31,-1.5 285,-0.2 1,-0.2 -1,-0.2 -0.306 115.2 30.5 -55.9 149.0 36.6 49.5 97.7 39 87 A R T 3 S+ 0 0 20 130,-0.6 2,-0.5 128,-0.3 284,-0.3 0.787 85.0 151.5 72.5 31.2 38.6 48.2 94.7 40 88 A S < - 0 0 6 -3,-0.6 127,-1.5 127,-0.4 -1,-0.2 -0.818 39.6-148.9-101.1 130.9 40.7 51.4 94.2 41 89 A T B > -I 166 0C 0 279,-0.6 4,-2.2 -2,-0.5 125,-0.3 -0.397 41.1-103.3 -69.8 166.2 44.1 51.8 92.8 42 90 A V H > S+ 0 0 0 123,-2.8 4,-2.2 2,-0.2 5,-0.1 0.968 122.4 44.4 -59.4 -52.6 45.9 54.7 94.4 43 91 A Y H > S+ 0 0 0 122,-0.3 4,-2.6 2,-0.2 5,-0.2 0.869 110.2 54.2 -63.8 -39.0 45.5 57.0 91.4 44 92 A A H > S+ 0 0 6 276,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 109.9 50.5 -57.8 -41.2 41.8 55.9 91.0 45 93 A G H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.895 109.1 49.1 -61.9 -41.8 41.5 57.0 94.7 46 94 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 3,-0.5 0.916 110.4 51.2 -64.5 -41.9 43.2 60.4 94.0 47 95 A L H ><5S+ 0 0 34 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.869 104.1 58.7 -59.1 -41.1 40.8 61.0 91.0 48 96 A Q H 3<5S+ 0 0 106 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.833 110.1 45.1 -55.8 -33.0 37.8 60.2 93.3 49 97 A N T <<5S- 0 0 64 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.175 118.5-100.2-101.3 12.3 39.0 63.1 95.6 50 98 A G T < 5S+ 0 0 60 -3,-1.3 -3,-0.2 2,-0.1 -2,-0.1 0.446 79.3 128.1 120.0 -31.4 39.7 65.8 93.2 51 99 A K < + 0 0 82 -5,-2.1 2,-0.3 -6,-0.1 -4,-0.2 0.725 66.9 16.8 -98.4 -26.3 43.2 65.6 93.0 52 100 A Y S S- 0 0 53 -6,-0.2 -2,-0.1 -9,-0.1 9,-0.1 -0.912 82.0 -98.3-132.8 157.5 44.1 65.5 89.3 53 101 A A - 0 0 60 -2,-0.3 -2,-0.1 7,-0.2 -1,-0.0 -0.252 59.9 -66.8 -73.0 167.5 42.2 66.3 86.1 54 102 A D > - 0 0 77 1,-0.2 3,-1.5 2,-0.1 6,-0.3 -0.329 37.7-156.7 -58.0 115.9 40.5 63.7 83.9 55 103 A P T 3 S+ 0 0 1 0, 0.0 6,-0.4 0, 0.0 -1,-0.2 0.612 89.1 72.7 -72.4 -11.5 43.1 61.4 82.3 56 104 A F T 3 S+ 0 0 19 4,-0.1 2,-0.5 544,-0.1 -2,-0.1 0.560 89.2 75.7 -75.0 -10.3 40.6 60.6 79.5 57 105 A Y S X S- 0 0 85 -3,-1.5 3,-1.9 453,-0.0 453,-0.2 -0.923 106.5 -59.2-112.7 127.1 41.2 64.1 78.2 58 106 A S T 3 S- 0 0 14 451,-2.5 3,-0.4 -2,-0.5 452,-0.0 -0.053 106.2 -28.7 47.7-138.0 44.2 65.2 76.2 59 107 A T T >> S+ 0 0 44 1,-0.2 3,-1.7 2,-0.1 4,-0.8 0.064 93.6 125.5 -98.3 24.2 47.6 64.8 78.0 60 108 A N G X4 + 0 0 37 -3,-1.9 3,-0.9 -6,-0.3 -1,-0.2 0.838 69.2 59.8 -47.8 -38.1 46.1 65.2 81.5 61 109 A M G >4 S+ 0 0 5 -6,-0.4 3,-1.0 -3,-0.4 -1,-0.3 0.772 97.0 60.6 -67.6 -25.6 47.7 61.9 82.6 62 110 A Q G <4 S+ 0 0 117 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.782 93.0 65.1 -70.2 -30.6 51.1 63.2 81.8 63 111 A N G << S+ 0 0 115 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.353 79.1 101.9 -73.3 1.9 50.8 66.0 84.3 64 112 A V S < S- 0 0 12 -3,-1.0 2,-0.5 -4,-0.1 -12,-0.0 -0.808 77.6-127.2 -89.7 121.8 50.7 63.5 87.2 65 113 A P - 0 0 75 0, 0.0 3,-0.3 0, 0.0 -2,-0.1 -0.600 22.7-169.4 -65.2 118.6 54.0 63.2 89.1 66 114 A A > + 0 0 51 -2,-0.5 3,-2.5 1,-0.2 -4,-0.0 0.713 70.0 83.1 -84.7 -19.4 54.7 59.5 89.1 67 115 A A G > S+ 0 0 80 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.847 81.7 64.4 -50.3 -42.3 57.6 59.6 91.6 68 116 A Q G 3 S+ 0 0 42 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.628 96.3 59.3 -56.8 -19.2 55.1 59.6 94.5 69 117 A F G < S+ 0 0 9 -3,-2.5 -1,-0.3 92,-0.2 74,-0.3 0.136 83.5 79.8 -98.3 17.7 54.0 56.1 93.4 70 118 A S S < S+ 0 0 88 -3,-2.0 -1,-0.2 72,-0.1 -2,-0.1 0.358 90.4 61.7-102.7 4.1 57.6 54.6 93.8 71 119 A V S S- 0 0 58 -3,-0.4 -56,-0.1 -4,-0.1 69,-0.1 -0.884 99.5 -86.0-121.6 153.5 57.0 54.3 97.6 72 120 A P - 0 0 18 0, 0.0 -58,-3.0 0, 0.0 2,-0.4 -0.162 35.9-152.1 -54.0 151.1 54.4 52.3 99.5 73 121 A W E -EF 13 140B 2 67,-2.1 67,-3.2 -60,-0.3 2,-0.3 -0.973 13.3-128.4-122.4 144.6 50.9 53.7 100.2 74 122 A W E -EF 12 139B 0 -62,-3.0 -62,-1.2 -2,-0.4 2,-0.5 -0.751 10.9-161.2 -92.6 139.1 48.7 52.7 103.1 75 123 A Y E -EF 11 138B 1 63,-2.7 63,-3.0 -2,-0.3 2,-0.4 -0.988 24.4-177.6-115.1 115.9 45.0 51.5 103.0 76 124 A R E +EF 10 137B 10 -66,-2.3 -66,-2.0 -2,-0.5 2,-0.3 -0.915 11.8 162.7-124.3 143.7 43.5 52.0 106.4 77 125 A T E - F 0 136B 23 59,-2.7 59,-3.0 -2,-0.4 2,-0.3 -0.994 29.0-129.0-149.6 152.2 40.1 51.2 107.9 78 126 A D E - F 0 135B 81 -2,-0.3 2,-0.4 57,-0.2 57,-0.3 -0.689 19.4-160.8 -89.2 156.1 38.3 50.8 111.3 79 127 A L E - F 0 134B 29 55,-2.6 55,-2.6 -2,-0.3 2,-0.5 -0.962 11.5-142.5-136.1 119.5 36.1 47.7 112.0 80 128 A N E - F 0 133B 131 -2,-0.4 2,-0.5 53,-0.2 53,-0.2 -0.728 17.9-171.3 -77.0 125.4 33.6 47.7 114.8 81 129 A V E + F 0 132B 6 51,-2.9 51,-4.1 -2,-0.5 3,-0.2 -0.942 10.9 177.4-121.5 107.0 33.5 44.3 116.5 82 130 A D S S+ 0 0 157 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.726 73.0 24.7 -72.9 -27.6 30.6 43.9 119.0 83 131 A D - 0 0 92 47,-0.1 3,-0.5 49,-0.1 -1,-0.2 -0.940 52.5-168.4-154.5 114.4 31.4 40.3 119.9 84 132 A T + 0 0 71 -2,-0.3 4,-0.1 1,-0.2 45,-0.1 0.200 66.0 102.0 -95.0 13.1 34.6 38.3 119.8 85 133 A S S S+ 0 0 101 2,-0.1 2,-0.2 0, 0.0 -1,-0.2 0.913 75.7 65.7 -60.0 -43.3 33.0 34.9 120.4 86 134 A S S S- 0 0 40 -3,-0.5 91,-0.2 1,-0.1 92,-0.1 -0.588 94.9-111.0 -79.1 140.9 33.4 34.2 116.7 87 135 A R E -B 176 0A 54 89,-2.4 89,-1.1 -2,-0.2 2,-0.4 -0.252 32.3-137.7 -56.4 155.2 36.8 33.8 115.0 88 136 A T E +B 175 0A 2 87,-0.2 37,-2.6 -4,-0.1 38,-0.7 -0.991 21.9 179.1-131.8 133.2 37.8 36.7 112.6 89 137 A Y E -BC 174 124A 0 85,-2.1 85,-2.3 -2,-0.4 2,-0.6 -0.963 25.4-142.9-133.8 145.6 39.5 36.4 109.2 90 138 A L E -BC 173 123A 0 33,-2.6 33,-3.5 -2,-0.3 2,-0.5 -0.975 25.1-178.0-103.7 120.3 40.7 38.7 106.4 91 139 A D E +BC 172 122A 5 81,-2.2 81,-2.8 -2,-0.6 2,-0.3 -0.978 23.1 128.7-125.1 115.8 40.0 37.0 103.1 92 140 A F E -BC 171 121A 5 29,-2.0 29,-2.3 -2,-0.5 2,-0.3 -0.970 30.5-175.2-158.5 166.6 41.2 38.9 100.0 93 141 A S + 0 0 18 77,-0.7 76,-0.5 -2,-0.3 25,-0.2 -0.863 53.5 81.2-155.4-174.5 43.1 39.1 96.7 94 142 A G + 0 0 0 23,-2.3 74,-2.9 -2,-0.3 2,-0.6 0.751 50.2 153.2 79.0 26.2 43.8 41.8 94.2 95 143 A V E -J 167 0C 0 21,-0.4 2,-0.5 24,-0.3 21,-0.3 -0.799 40.3-131.5 -88.2 118.7 46.8 43.5 95.9 96 144 A L E S-J 166 0C 0 70,-3.0 70,-2.2 -2,-0.6 47,-0.2 -0.965 80.2 -19.3-115.0 114.2 49.2 45.2 93.4 97 145 A S S S- 0 0 0 -2,-0.5 19,-2.8 45,-0.2 2,-0.3 -0.956 114.9 -56.1 -96.5 -24.7 52.0 44.4 93.9 98 146 A K B -K 115 0D 24 43,-0.4 43,-2.6 17,-0.2 2,-0.3 -0.931 48.1-152.1-172.1 164.9 52.3 43.0 97.5 99 147 A A E -G 140 0B 0 15,-2.3 15,-0.4 -2,-0.3 2,-0.4 -0.996 19.9-129.3-156.0 150.7 51.5 44.2 101.1 100 148 A D E -G 139 0B 4 39,-1.7 39,-2.4 -2,-0.3 2,-0.5 -0.873 33.8-146.2 -90.8 136.4 52.3 44.1 104.8 101 149 A V E -GH 138 109B 0 8,-3.1 7,-2.6 -2,-0.4 8,-1.5 -0.936 16.6-173.5-111.6 130.1 49.1 43.5 106.7 102 150 A W E -GH 137 107B 25 35,-2.4 35,-2.1 -2,-0.5 2,-0.4 -0.946 9.7-174.6-124.1 134.5 48.6 45.1 110.2 103 151 A V E > S-GH 136 106B 1 3,-3.0 3,-2.1 -2,-0.4 33,-0.2 -0.987 74.3 -24.4-128.1 124.1 45.8 44.6 112.8 104 152 A N T 3 S- 0 0 29 31,-2.1 -79,-0.2 -80,-0.9 3,-0.1 0.760 128.6 -43.5 51.5 35.9 45.7 46.7 116.0 105 153 A G T 3 S+ 0 0 20 1,-0.3 2,-0.5 30,-0.1 -1,-0.3 0.415 117.3 108.1 91.8 -0.9 49.5 47.4 116.0 106 154 A T E < -H 103 0B 66 -3,-2.1 -3,-3.0 -82,-0.1 2,-0.7 -0.940 69.0-131.7-112.2 130.3 50.5 43.8 115.1 107 155 A K E +H 102 0B 93 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.734 27.0 178.9 -77.9 110.0 52.0 42.9 111.7 108 156 A V E + 0 0 36 -7,-2.6 2,-0.3 -2,-0.7 -6,-0.2 0.638 65.4 6.6 -89.8 -17.1 49.9 39.8 110.7 109 157 A A E -H 101 0B 5 -8,-1.5 -8,-3.1 14,-0.1 -1,-0.3 -0.970 67.9-140.4-164.1 148.1 51.5 39.2 107.3 110 158 A T >> - 0 0 50 -2,-0.3 4,-3.1 -10,-0.3 3,-1.3 -0.681 34.5-101.1-112.2 167.0 54.3 40.6 105.2 111 159 A K T 34 S+ 0 0 68 1,-0.3 -11,-0.1 -2,-0.2 -14,-0.1 0.565 118.5 65.6 -59.7 -14.3 54.9 41.4 101.5 112 160 A D T 34 S+ 0 0 118 -14,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.801 115.7 28.1 -78.4 -29.1 56.8 38.2 101.2 113 161 A Q T <4 S+ 0 0 113 -3,-1.3 2,-1.4 1,-0.2 -2,-0.2 0.865 118.5 55.4 -93.8 -53.1 53.6 36.3 101.9 114 162 A V S < S+ 0 0 0 -4,-3.1 -15,-2.3 -15,-0.4 2,-0.4 -0.652 84.4 134.2 -83.9 87.5 51.0 38.7 100.6 115 163 A N B +K 98 0D 23 -2,-1.4 -17,-0.2 -17,-0.3 -19,-0.1 -0.988 34.3 39.5-151.6 121.0 52.5 39.0 97.1 116 164 A G S > S- 0 0 0 -19,-2.8 3,-1.1 -2,-0.4 -21,-0.4 0.298 72.4-109.8 102.3 130.5 50.9 38.8 93.6 117 165 A A T 3 S+ 0 0 1 32,-1.2 -23,-2.3 1,-0.3 -22,-0.2 0.759 114.5 42.3 -60.0 -34.1 47.7 40.3 92.3 118 166 A Y T 3 S+ 0 0 0 31,-0.4 -1,-0.3 -25,-0.2 2,-0.2 0.444 86.7 111.5 -98.2 -5.6 45.8 37.0 91.9 119 167 A T < - 0 0 5 -3,-1.1 2,-0.3 -24,-0.2 -24,-0.3 -0.532 58.5-141.1 -75.9 139.0 46.9 35.3 95.2 120 168 A R - 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0 0 13 10,-2.7 3,-1.9 4,-0.1 4,-0.4 -0.972 11.1-157.5-122.0 117.1 48.9 60.6 69.3 527 575 A Y T 3 S+ 0 0 37 -2,-0.5 -1,-0.1 1,-0.3 10,-0.0 0.817 95.1 60.4 -58.3 -32.3 48.9 60.2 73.1 528 576 A H T 3 S+ 0 0 3 74,-0.1 75,-1.5 -3,-0.1 76,-0.3 0.283 102.3 55.6 -89.1 13.0 45.5 58.5 72.8 529 577 A R S < S- 0 0 1 -3,-1.9 2,-0.3 7,-0.2 7,-0.2 0.528 111.8 -35.3 -95.1-100.6 46.8 55.7 70.7 530 578 A S - 0 0 5 5,-0.8 -372,-0.2 -4,-0.4 -1,-0.2 -0.945 24.4-139.4-135.6 146.9 49.8 53.8 72.2 531 579 A S S S+ 0 0 54 -374,-2.6 2,-0.2 -2,-0.3 5,-0.1 0.678 84.9 95.8 -66.4 -22.1 52.9 54.2 74.4 532 580 A S S S- 0 0 29 -375,-0.3 3,-0.3 -377,-0.3 -2,-0.2 -0.535 76.5-139.2 -72.0 135.1 54.6 51.7 71.9 533 581 A D S > S+ 0 0 138 -2,-0.2 3,-1.4 1,-0.2 4,-0.3 0.884 102.7 59.4 -60.8 -38.6 56.6 53.4 69.1 534 582 A T T 3 S+ 0 0 59 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.848 119.1 28.4 -55.8 -39.3 55.3 50.9 66.5 535 583 A F T 3 S+ 0 0 0 -3,-0.3 -5,-0.8 1,-0.1 -1,-0.3 -0.067 89.1 112.2-115.0 34.1 51.7 52.0 67.3 536 584 A G S < S+ 0 0 6 -3,-1.4 -10,-2.7 -7,-0.2 -7,-0.2 0.682 79.4 22.0 -81.2 -21.2 52.4 55.6 68.3 537 585 A N B S-D 525 0K 43 -4,-0.3 -14,-0.2 -12,-0.3 -12,-0.2 -0.668 73.5-115.0-134.7-173.8 50.8 57.3 65.3 538 586 A L > + 0 0 0 -16,-2.5 4,-3.2 -14,-0.6 -15,-0.2 -0.017 66.6 125.0-117.1 26.2 48.1 56.8 62.6 539 587 A K H > S+ 0 0 89 -17,-0.3 4,-2.5 1,-0.2 5,-0.2 0.913 72.8 44.8 -59.8 -52.5 50.4 56.9 59.6 540 588 A L H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 118.6 45.9 -59.7 -38.6 49.5 53.6 57.9 541 589 A F H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.923 112.4 48.5 -69.7 -49.4 45.8 54.3 58.5 542 590 A G H X S+ 0 0 2 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.871 111.7 50.4 -58.6 -41.8 45.9 57.9 57.2 543 591 A D H X S+ 0 0 72 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.886 113.2 45.5 -64.6 -43.3 47.9 57.0 54.1 544 592 A A H X S+ 0 0 4 -4,-1.7 4,-2.6 -5,-0.2 5,-0.4 0.878 110.3 54.2 -69.8 -36.9 45.3 54.2 53.2 545 593 A L H X S+ 0 0 2 -4,-2.5 4,-1.3 2,-0.2 5,-0.5 0.923 113.1 42.7 -61.4 -45.8 42.4 56.4 54.0 546 594 A T H X S+ 0 0 69 -4,-2.0 4,-2.0 3,-0.2 -2,-0.2 0.953 116.5 47.3 -61.4 -53.2 43.7 59.0 51.5 547 595 A K H < S+ 0 0 135 -4,-2.5 198,-0.2 2,-0.2 -2,-0.2 0.899 125.5 29.1 -55.7 -42.3 44.7 56.5 48.9 548 596 A R H < S+ 0 0 1 -4,-2.6 196,-3.7 -5,-0.2 197,-0.5 0.955 134.2 25.2 -97.3 -52.7 41.4 54.7 49.0 549 597 A Y H < S- 0 0 2 -4,-1.3 -3,-0.2 -5,-0.4 199,-0.2 0.499 111.1-104.8 -47.4 -27.4 38.8 57.2 50.1 550 598 A G < - 0 0 15 -4,-2.0 -1,-0.2 -5,-0.5 -3,-0.1 0.024 51.9 -49.6 96.5 149.6 40.5 60.4 48.8 551 599 A A - 0 0 72 -5,-0.1 2,-0.4 1,-0.1 -5,-0.0 -0.194 62.5-109.6 -54.0 143.9 42.3 63.2 50.7 552 600 A S - 0 0 22 -33,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.661 21.4-163.2 -84.1 129.4 40.4 64.7 53.7 553 601 A A S S- 0 0 76 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.701 71.0 -20.7 -84.6 -20.9 39.2 68.2 53.1 554 602 A N S > S- 0 0 78 1,-0.1 4,-2.1 -35,-0.0 -1,-0.2 -0.938 81.5 -75.0-168.5 179.2 38.7 68.8 56.9 555 603 A L H > S+ 0 0 33 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.887 127.7 50.9 -55.2 -47.4 38.2 67.1 60.3 556 604 A N H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 110.1 49.8 -57.3 -47.8 34.6 66.1 59.5 557 605 A D H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 111.1 49.4 -55.7 -46.0 35.6 64.6 56.1 558 606 A F H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.914 112.7 46.3 -62.4 -48.2 38.4 62.6 57.8 559 607 A V H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 111.9 50.3 -60.8 -47.7 36.1 61.1 60.6 560 608 A R H X S+ 0 0 89 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.884 114.2 44.8 -62.8 -38.4 33.3 60.2 58.1 561 609 A K H X S+ 0 0 2 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.888 108.6 58.0 -71.0 -41.7 35.7 58.4 55.9 562 610 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.899 104.8 52.0 -49.7 -45.6 37.3 56.7 58.9 563 611 A Q H X S+ 0 0 20 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.894 110.1 46.3 -64.2 -44.4 33.9 55.3 59.8 564 612 A L H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.928 114.6 48.6 -60.5 -46.5 33.3 53.7 56.3 565 613 A S H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.866 114.4 45.0 -62.0 -41.8 36.9 52.3 56.3 566 614 A Q H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 5,-0.4 0.896 114.9 48.1 -69.6 -43.1 36.4 50.9 59.9 567 615 A Y H X S+ 0 0 8 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.961 114.9 46.4 -56.4 -52.7 33.0 49.5 59.0 568 616 A E H X S+ 0 0 5 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.884 116.8 42.4 -57.7 -46.5 34.3 47.9 55.8 569 617 A N H X S+ 0 0 5 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.930 115.4 45.1 -71.9 -51.4 37.4 46.4 57.3 570 618 A V H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.889 113.2 53.5 -60.4 -42.9 36.0 45.0 60.5 571 619 A R H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.4 -2,-0.2 0.950 111.7 44.1 -55.3 -53.4 33.0 43.6 58.6 572 620 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 5,-0.2 0.865 109.4 57.6 -57.8 -42.0 35.4 41.8 56.1 573 621 A E H X S+ 0 0 1 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.941 115.6 35.5 -56.6 -49.7 37.6 40.6 59.0 574 622 A F H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 3,-0.3 0.904 116.0 53.4 -70.0 -43.2 34.6 38.8 60.6 575 623 A E H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.850 105.6 54.2 -66.3 -37.9 32.9 37.7 57.4 576 624 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.849 110.2 46.6 -60.2 -40.9 36.0 36.0 56.0 577 625 A H H X S+ 0 0 1 -4,-0.9 4,-0.5 -3,-0.3 11,-0.2 0.846 111.3 51.1 -75.9 -34.3 36.3 33.9 59.2 578 626 A S H >< S+ 0 0 2 -4,-2.1 3,-0.6 1,-0.2 4,-0.3 0.927 112.9 47.6 -64.4 -44.2 32.6 33.0 59.2 579 627 A R H >< S+ 0 0 22 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.925 112.9 46.0 -59.4 -48.4 32.9 31.9 55.6 580 628 A N H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 8,-0.9 0.482 86.5 93.0 -80.8 -1.0 36.1 29.8 56.0 581 629 A Y T << S+ 0 0 26 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 0.827 90.1 42.4 -61.6 -34.0 34.8 28.0 59.2 582 630 A T T < S+ 0 0 66 -3,-0.8 -1,-0.3 -4,-0.3 2,-0.2 0.124 82.3 132.8-106.7 20.0 33.4 25.1 57.2 583 631 A D < - 0 0 41 -3,-1.5 -3,-0.0 1,-0.1 3,-0.0 -0.517 58.2-136.1 -62.7 136.1 36.4 24.7 54.8 584 632 A S S S+ 0 0 117 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.808 90.9 42.9 -59.7 -35.0 37.5 21.1 54.6 585 633 A T S S- 0 0 93 1,-0.2 -1,-0.1 -289,-0.0 -2,-0.0 -0.977 129.3 -9.7-125.4 135.1 41.2 22.1 54.9 586 634 A N S S- 0 0 71 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.929 80.8-168.3 38.1 64.8 42.6 24.7 57.3 587 635 A P - 0 0 14 0, 0.0 -98,-2.3 0, 0.0 2,-0.4 -0.347 28.0-108.6 -64.9 154.6 39.2 26.0 58.5 588 636 A S E + a 0 489H 0 -8,-0.9 -98,-0.2 -100,-0.3 -5,-0.1 -0.773 38.2 177.7 -76.6 132.5 39.1 29.2 60.5 589 637 A T E + 0 0 0 -100,-2.2 -279,-1.6 -2,-0.4 -288,-0.4 0.481 58.9 9.0-117.0 -11.2 38.2 28.0 64.1 590 638 A G E -ta 310 490H 0 -101,-1.2 -99,-2.5 -281,-0.2 2,-0.3 -0.979 46.2-167.3-166.9 153.6 38.3 31.4 65.9 591 639 A L E -ta 311 491H 0 -281,-1.7 -279,-2.7 -2,-0.3 2,-0.6 -0.909 4.4-176.7-144.5 118.9 38.5 35.2 65.6 592 640 A I E -t 312 0H 0 -101,-2.9 -98,-1.9 -2,-0.3 -279,-0.3 -0.977 26.6-138.0-110.5 111.8 39.2 37.5 68.6 593 641 A Y E -ta 313 494H 2 -281,-2.9 -279,-2.4 -2,-0.6 2,-0.8 -0.458 29.0-101.3 -69.0 138.4 39.1 41.1 67.3 594 642 A W S S- 0 0 9 -100,-1.8 -97,-0.3 1,-0.3 12,-0.2 -0.851 97.8 -2.5-104.0 101.6 41.8 43.3 68.8 595 643 A M - 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