==== 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 02-OCT-08 2V5D . COMPND 2 MOLECULE: O-GLCNACASE NAGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR E.FICKO-BLEAN,K.J.GREGG,J.J.ADAMS,J.H.HEHEMANN,S.J.SMITH, . 722 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 9.7 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 51 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 2 0 0 1 0 2 1 1 1 4 3 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 4 4 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 0 PARALLEL BRIDGES PER LADDER . 2 4 0 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 0 0 2 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 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 41 A V 0 0 89 0, 0.0 129,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 149.7 10.2 16.2 4.7 2 42 A L - 0 0 159 127,-0.1 16,-0.0 1,-0.1 0, 0.0 -0.461 360.0 -85.2 -97.9 170.1 11.0 15.3 8.4 3 43 A V - 0 0 50 -2,-0.1 3,-0.1 125,-0.1 -1,-0.1 -0.628 46.1-135.3 -77.4 122.3 11.6 12.0 10.2 4 44 A P - 0 0 23 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.071 40.6 -68.3 -67.6 176.4 8.3 10.3 11.2 5 45 A N - 0 0 78 116,-0.1 2,-0.2 413,-0.0 4,-0.0 -0.576 60.6-161.2 -70.6 113.0 7.7 8.7 14.6 6 46 A L - 0 0 13 -2,-0.6 3,-0.2 -3,-0.1 112,-0.1 -0.605 8.3-135.3 -98.0 156.2 9.9 5.6 14.8 7 47 A N S S+ 0 0 0 1,-0.4 2,-0.1 -2,-0.2 392,-0.1 -0.820 89.7 20.9-158.2 116.4 9.7 2.6 17.1 8 48 A P S S- 0 0 1 0, 0.0 -1,-0.4 0, 0.0 394,-0.1 0.609 97.1-120.5 -74.3 166.8 12.2 1.5 18.4 9 49 A T - 0 0 48 -3,-0.2 400,-0.1 -2,-0.1 -4,-0.0 -0.620 30.4-120.9 -74.2 122.0 14.5 4.6 18.2 10 50 A P - 0 0 9 0, 0.0 3,-0.1 0, 0.0 125,-0.1 -0.243 13.0-124.0 -61.9 154.4 17.7 3.9 16.2 11 51 A E S S+ 0 0 24 1,-0.2 2,-0.4 125,-0.1 124,-0.2 0.930 96.0 21.9 -65.0 -49.0 21.0 4.3 18.0 12 52 A N E +A 134 0A 96 122,-1.2 122,-1.2 2,-0.0 2,-0.3 -0.988 69.9 156.9-125.7 131.0 22.4 6.7 15.4 13 53 A L E +A 133 0A 64 -2,-0.4 2,-0.3 120,-0.2 120,-0.2 -0.961 8.6 175.7-152.7 133.8 20.4 8.9 13.0 14 54 A E E -A 132 0A 127 118,-1.2 118,-1.4 -2,-0.3 2,-1.0 -1.000 34.0-120.6-143.5 139.0 21.3 12.1 11.2 15 55 A V E +A 131 0A 100 -2,-0.3 116,-0.2 116,-0.2 3,-0.0 -0.680 38.5 164.0 -81.0 100.8 19.4 14.3 8.6 16 56 A V + 0 0 75 -2,-1.0 115,-0.2 114,-1.0 -1,-0.2 0.842 63.1 7.1 -86.5 -38.4 21.8 14.3 5.6 17 57 A G S S- 0 0 19 113,-2.1 113,-0.1 80,-0.2 3,-0.1 -0.555 74.9-104.2-129.8-166.7 19.4 15.6 3.0 18 58 A D - 0 0 136 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.889 66.0 -98.9 -91.2 -49.8 15.8 17.0 2.6 19 59 A G - 0 0 27 110,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.560 26.7-130.9 139.2 155.9 14.0 14.0 1.1 20 60 A F E -F 128 0B 30 108,-1.7 108,-0.8 -2,-0.2 2,-0.3 -0.946 21.2-112.0-135.7 158.5 12.7 12.6 -2.2 21 61 A K E -F 127 0B 137 -2,-0.3 2,-0.3 106,-0.2 106,-0.2 -0.699 31.4-123.7 -91.1 140.6 9.5 11.1 -3.5 22 62 A I - 0 0 14 104,-1.8 2,-0.1 -2,-0.3 4,-0.1 -0.642 25.8-118.0 -86.7 139.0 9.2 7.4 -4.4 23 63 A T - 0 0 46 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.355 20.0-116.7 -74.8 154.6 8.2 6.4 -8.0 24 64 A S S S+ 0 0 101 1,-0.2 28,-1.4 27,-0.1 2,-0.4 0.846 106.1 31.9 -60.2 -38.3 5.0 4.4 -8.7 25 65 A S E S+g 52 0C 38 26,-0.2 37,-0.4 28,-0.0 2,-0.2 -0.993 77.7 176.5-122.8 131.7 7.1 1.5 -10.0 26 66 A I E -g 53 0C 6 26,-2.8 28,-3.1 -2,-0.4 2,-0.4 -0.621 27.0-118.9-121.4 178.2 10.6 0.7 -8.7 27 67 A N E -b 63 0A 18 35,-1.9 37,-1.4 26,-0.2 2,-0.3 -0.983 21.4-149.4-126.9 122.4 13.3 -1.9 -9.2 28 68 A L E -b 64 0A 5 -2,-0.4 2,-0.4 26,-0.3 37,-0.2 -0.662 8.5-161.1 -90.1 141.8 14.6 -4.1 -6.4 29 69 A V E +b 65 0A 31 35,-1.9 37,-1.9 -2,-0.3 -2,-0.0 -0.989 65.1 24.9-124.4 131.5 18.1 -5.4 -6.3 30 70 A G + 0 0 14 -2,-0.4 -1,-0.2 35,-0.2 4,-0.1 0.963 63.5 139.0 83.9 62.4 19.3 -8.5 -4.2 31 71 A E S S+ 0 0 72 -3,-0.2 8,-0.1 2,-0.1 -2,-0.1 0.811 71.4 48.2 -95.8 -44.4 16.2 -10.7 -3.7 32 72 A E S S+ 0 0 177 1,-0.2 4,-0.1 4,-0.0 35,-0.0 0.886 117.8 37.2 -67.4 -43.8 17.9 -14.1 -4.2 33 73 A E S S+ 0 0 113 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.743 103.8 83.6 -84.2 -25.5 20.9 -13.7 -1.9 34 74 A A S S- 0 0 10 32,-0.2 2,-0.2 1,-0.2 33,-0.1 -0.050 100.3 -64.8 -70.7 176.1 19.2 -11.7 0.8 35 75 A D > - 0 0 25 1,-0.1 4,-1.3 73,-0.1 -1,-0.2 -0.452 41.6-143.6 -64.3 132.1 17.1 -13.1 3.7 36 76 A E H > S+ 0 0 149 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.905 99.0 45.5 -67.3 -43.5 14.0 -14.8 2.4 37 77 A N H > S+ 0 0 39 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.771 108.5 57.9 -70.6 -28.2 11.8 -13.7 5.3 38 78 A A H > S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.810 108.6 44.1 -73.3 -32.4 13.1 -10.1 5.2 39 79 A V H X S+ 0 0 4 -4,-1.3 4,-3.0 -3,-0.2 5,-0.2 0.814 104.4 63.3 -81.7 -33.3 12.1 -9.6 1.5 40 80 A N H X S+ 0 0 78 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.868 104.6 47.9 -57.8 -39.4 8.6 -11.2 2.0 41 81 A A H X S+ 0 0 20 -4,-1.1 4,-1.0 1,-0.2 -1,-0.2 0.839 114.4 46.8 -68.5 -35.6 7.7 -8.4 4.4 42 82 A L H X S+ 0 0 2 -4,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.859 107.0 56.8 -74.0 -38.8 9.0 -5.8 2.0 43 83 A R H X S+ 0 0 104 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.888 109.4 44.2 -62.4 -42.2 7.2 -7.2 -1.1 44 84 A E H X S+ 0 0 126 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.779 106.9 60.6 -75.3 -28.5 3.7 -7.1 0.5 45 85 A F H X S+ 0 0 28 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.874 105.5 48.5 -62.6 -39.2 4.4 -3.5 1.9 46 86 A L H <>S+ 0 0 5 -4,-1.6 5,-3.5 2,-0.2 -2,-0.2 0.850 110.4 51.7 -67.5 -36.4 4.9 -2.4 -1.7 47 87 A T H ><5S+ 0 0 96 -4,-1.2 3,-0.8 3,-0.2 -2,-0.2 0.865 110.2 48.4 -66.7 -38.6 1.6 -4.2 -2.8 48 88 A A H 3<5S+ 0 0 82 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.798 113.5 46.3 -73.2 -31.3 -0.3 -2.4 0.0 49 89 A N T 3<5S- 0 0 62 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.177 120.4-105.1 -98.0 15.8 1.0 1.1 -0.8 50 90 A N T < 5S+ 0 0 139 -3,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.923 72.5 140.0 64.2 49.8 0.4 0.6 -4.6 51 91 A I < - 0 0 7 -5,-3.5 2,-0.3 -6,-0.1 -1,-0.2 -0.985 32.8-160.4-126.5 135.4 4.0 0.0 -5.7 52 92 A E E -g 25 0C 127 -28,-1.4 -26,-2.8 -2,-0.4 2,-0.4 -0.771 15.9-124.7-113.6 158.0 5.3 -2.5 -8.3 53 93 A I E -g 26 0C 55 -2,-0.3 -26,-0.2 -28,-0.2 2,-0.1 -0.880 26.6-122.0-106.0 131.6 8.7 -4.0 -9.0 54 94 A N - 0 0 31 -28,-3.1 -26,-0.3 -2,-0.4 4,-0.1 -0.432 6.4-149.8 -73.5 142.3 10.3 -3.7 -12.4 55 95 A S S S+ 0 0 130 -2,-0.1 2,-0.2 -28,-0.1 -1,-0.1 0.902 83.6 34.1 -75.6 -44.7 11.3 -6.9 -14.4 56 96 A E S S- 0 0 140 1,-0.1 2,-0.1 -29,-0.0 -2,-0.0 -0.694 102.5 -81.7-108.8 164.6 14.2 -5.2 -16.2 57 97 A N - 0 0 128 -2,-0.2 -1,-0.1 -30,-0.0 -2,-0.1 -0.363 44.8-174.6 -67.5 140.5 16.7 -2.5 -15.1 58 98 A D - 0 0 38 1,-0.1 3,-0.3 -2,-0.1 -31,-0.1 -0.970 22.1-163.8-142.3 121.2 15.5 1.1 -15.3 59 99 A P S S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.734 90.1 62.1 -76.2 -22.9 17.5 4.3 -14.6 60 100 A N S S+ 0 0 126 2,-0.1 2,-0.1 -34,-0.0 -37,-0.0 0.790 95.9 71.4 -70.6 -30.5 14.4 6.5 -14.4 61 101 A S S S- 0 0 18 -3,-0.3 2,-0.2 1,-0.1 -35,-0.2 -0.338 90.8 -97.4 -87.0 166.2 13.0 4.6 -11.4 62 102 A T - 0 0 14 -37,-0.4 -35,-1.9 -2,-0.1 2,-0.5 -0.544 35.9-138.6 -78.6 148.7 14.1 4.5 -7.7 63 103 A T E -bc 27 101A 37 37,-1.6 39,-2.2 -2,-0.2 2,-0.6 -0.949 11.6-164.2-117.9 128.8 16.3 1.6 -6.6 64 104 A L E -bc 28 102A 6 -37,-1.4 -35,-1.9 -2,-0.5 2,-0.4 -0.929 12.6-166.9-112.6 107.2 15.9 -0.3 -3.3 65 105 A I E +bc 29 103A 7 37,-2.0 39,-1.7 -2,-0.6 2,-0.3 -0.787 11.5 170.8 -99.1 135.9 19.0 -2.4 -2.5 66 106 A I E + c 0 104A 0 -37,-1.9 2,-0.3 -2,-0.4 -32,-0.2 -0.995 16.2 100.1-145.7 147.9 18.9 -5.1 0.2 67 107 A G E - c 0 105A 0 37,-1.1 39,-1.4 -2,-0.3 2,-0.2 -0.947 53.1 -79.5 173.9-154.0 21.1 -7.9 1.4 68 108 A E E - c 0 106A 20 -2,-0.3 5,-0.3 37,-0.2 39,-0.2 -0.765 34.2-107.5-131.0 176.1 23.7 -8.9 4.1 69 109 A V S S+ 0 0 35 37,-1.1 38,-0.1 38,-0.4 39,-0.1 0.844 119.3 60.1 -71.6 -37.4 27.4 -8.5 4.9 70 110 A D S S+ 0 0 135 37,-0.4 2,-0.2 2,-0.1 -1,-0.2 0.871 93.8 79.4 -54.8 -40.8 27.9 -12.2 3.9 71 111 A D S S- 0 0 11 1,-0.1 2,-0.9 -38,-0.1 -4,-0.0 -0.487 77.9-140.2 -74.9 140.2 26.6 -11.4 0.4 72 112 A D + 0 0 152 -2,-0.2 -3,-0.1 4,-0.0 -1,-0.1 -0.749 35.6 159.8-104.5 84.1 29.0 -9.7 -2.0 73 113 A I > - 0 0 20 -2,-0.9 4,-1.6 -5,-0.3 5,-0.2 -0.928 26.5-166.1-109.0 115.1 26.9 -7.1 -3.9 74 114 A P H > S+ 0 0 97 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.729 90.2 56.6 -72.0 -21.5 28.9 -4.3 -5.6 75 115 A E H > S+ 0 0 110 2,-0.2 4,-1.4 3,-0.1 -10,-0.1 0.843 106.8 49.0 -73.5 -36.0 25.7 -2.3 -6.0 76 116 A L H > S+ 0 0 4 2,-0.2 4,-1.2 1,-0.2 3,-0.2 0.946 110.3 47.0 -71.9 -51.3 24.9 -2.3 -2.3 77 117 A D H X S+ 0 0 85 -4,-1.6 4,-1.3 1,-0.2 5,-0.3 0.795 110.7 54.3 -62.6 -30.8 28.3 -1.2 -1.0 78 118 A E H < S+ 0 0 120 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.883 106.8 50.5 -69.2 -40.1 28.5 1.6 -3.5 79 119 A A H < S+ 0 0 19 -4,-1.4 24,-0.2 1,-0.2 -2,-0.2 0.721 106.4 59.5 -70.9 -22.3 25.1 3.0 -2.4 80 120 A L H < S- 0 0 6 -4,-1.2 -1,-0.2 3,-0.1 -2,-0.2 0.884 79.5-169.8 -68.9 -46.3 26.4 2.9 1.2 81 121 A N S < S- 0 0 137 -4,-1.3 -3,-0.1 1,-0.2 3,-0.1 0.856 74.9 -9.2 53.1 51.3 29.4 5.2 0.9 82 122 A G S S+ 0 0 85 1,-0.4 2,-0.4 -5,-0.3 -1,-0.2 0.610 111.4 110.7 109.2 18.2 31.3 4.9 4.1 83 123 A T + 0 0 30 -6,-0.2 -1,-0.4 11,-0.0 2,-0.3 -0.991 38.3 168.4-130.9 133.4 28.7 2.9 5.9 84 124 A T - 0 0 61 -2,-0.4 21,-0.1 -3,-0.1 9,-0.0 -0.913 35.1-148.8-141.7 164.4 28.9 -0.8 7.0 85 125 A A S > S+ 0 0 0 -2,-0.3 3,-0.8 21,-0.1 7,-0.1 0.424 84.0 83.6-111.0 -5.4 27.2 -3.4 9.1 86 126 A E T 3 S+ 0 0 110 1,-0.2 -1,-0.1 -17,-0.1 21,-0.0 0.824 87.3 55.5 -70.1 -33.3 30.3 -5.5 10.0 87 127 A N T 3 S+ 0 0 121 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 0.564 97.9 84.9 -73.8 -10.1 31.3 -3.1 12.9 88 128 A L S < S- 0 0 14 -3,-0.8 3,-0.1 1,-0.1 4,-0.1 -0.553 79.0-118.3 -92.3 159.3 27.8 -3.7 14.4 89 129 A K > - 0 0 117 1,-0.2 3,-0.8 -2,-0.2 18,-0.2 -0.147 52.0 -52.3 -86.0-176.5 26.7 -6.6 16.7 90 130 A E T 3 S+ 0 0 144 1,-0.2 -1,-0.2 17,-0.1 3,-0.1 -0.157 121.5 21.6 -61.0 152.5 24.0 -9.3 16.0 91 131 A E T 3 S+ 0 0 10 1,-0.2 2,-0.2 45,-0.1 -1,-0.2 0.754 97.5 133.7 59.0 30.1 20.5 -8.3 15.0 92 132 A G < - 0 0 0 -3,-0.8 15,-1.8 44,-0.2 16,-0.4 -0.709 34.9-168.7-109.3 159.0 21.8 -5.0 13.7 93 133 A Y E -DE 106 135A 0 42,-1.5 42,-2.7 -2,-0.2 2,-0.4 -0.929 16.1-146.8-142.4 165.0 21.2 -3.0 10.5 94 134 A A E -DE 105 134A 0 11,-1.6 11,-2.0 -2,-0.3 2,-0.4 -0.913 16.9-172.4-139.2 109.0 22.4 -0.0 8.5 95 135 A L E +DE 104 133A 0 38,-0.7 38,-3.2 -2,-0.4 2,-0.4 -0.859 5.6 176.2-106.0 135.1 20.0 2.0 6.4 96 136 A V E -DE 103 132A 13 7,-2.4 7,-2.8 -2,-0.4 2,-0.5 -0.940 5.7-177.0-141.8 115.8 21.1 4.8 4.0 97 137 A S E +D 102 0A 0 34,-1.5 2,-0.3 -2,-0.4 5,-0.2 -0.962 18.9 151.8-115.5 119.9 18.7 6.8 1.7 98 138 A N - 0 0 78 3,-2.4 3,-0.1 -2,-0.5 -2,-0.0 -0.880 62.0 -18.5-155.9 115.0 20.3 9.3 -0.6 99 139 A D S S- 0 0 120 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.924 127.7 -39.2 59.9 54.2 19.3 10.7 -4.1 100 140 A G S S+ 0 0 21 1,-0.1 -37,-1.6 -38,-0.1 2,-0.4 0.738 118.2 105.2 71.7 24.9 16.8 8.1 -5.2 101 141 A K E -c 63 0A 100 -39,-0.2 -3,-2.4 -22,-0.1 2,-0.6 -0.954 45.8-173.3-139.9 116.5 18.8 5.2 -3.8 102 142 A I E -cD 64 97A 4 -39,-2.2 -37,-2.0 -2,-0.4 2,-0.4 -0.929 8.2-174.0-116.0 109.2 17.9 3.3 -0.6 103 143 A A E -cD 65 96A 0 -7,-2.8 -7,-2.4 -2,-0.6 2,-0.4 -0.847 4.6-172.3-105.5 137.0 20.4 0.7 0.7 104 144 A I E +cD 66 95A 0 -39,-1.7 -37,-1.1 -2,-0.4 2,-0.4 -0.990 4.2 179.8-131.2 123.0 19.8 -1.6 3.6 105 145 A E E -cD 67 94A 7 -11,-2.0 -11,-1.6 -2,-0.4 2,-0.3 -0.978 4.0-171.0-128.5 119.5 22.5 -3.9 5.1 106 146 A G E -cD 68 93A 0 -39,-1.4 -37,-1.1 -2,-0.4 -13,-0.2 -0.703 27.7-131.2-102.4 159.2 22.1 -6.3 8.0 107 147 A K S S- 0 0 59 -15,-1.8 -37,-0.4 -2,-0.3 -38,-0.4 0.927 87.2 -11.2 -72.1 -47.7 24.8 -8.2 9.9 108 148 A D S > S- 0 0 48 -16,-0.4 4,-1.9 -40,-0.1 -73,-0.1 -0.659 92.7 -70.7-135.9-168.8 22.9 -11.5 9.7 109 149 A G H > S+ 0 0 19 1,-0.2 4,-1.1 -2,-0.2 -74,-0.1 0.895 130.1 46.3 -56.4 -45.3 19.4 -12.8 8.7 110 150 A D H > S+ 0 0 37 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.898 110.1 54.2 -65.2 -43.1 17.7 -11.4 11.8 111 151 A G H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.872 104.2 53.0 -60.9 -42.1 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5,-0.3 0.848 99.8 55.9 -63.8 -36.3 8.8 -2.2 25.6 401 445 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 5,-0.3 0.897 108.9 45.3 -63.9 -42.8 10.3 -2.2 22.2 402 446 A D H X S+ 0 0 2 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.827 115.2 48.0 -71.6 -33.8 12.0 1.2 22.6 403 447 A Y H < S+ 0 0 1 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.961 115.4 41.7 -69.8 -53.9 13.3 0.4 26.1 404 448 A S H < S+ 0 0 1 -4,-2.4 -265,-0.9 1,-0.2 -266,-0.6 0.885 121.8 40.5 -63.3 -42.3 14.8 -3.0 25.3 405 449 A W H < S+ 0 0 0 -4,-1.8 -267,-1.2 -5,-0.3 2,-0.5 0.953 132.4 18.9 -73.8 -52.9 16.3 -1.9 21.9 406 450 A N S < S+ 0 0 0 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.762 72.3 157.8-124.2 84.7 17.6 1.6 22.9 407 451 A M > + 0 0 3 -2,-0.5 3,-1.3 -3,-0.4 -1,-0.1 0.883 67.3 55.4 -80.4 -42.7 17.8 1.7 26.7 408 452 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.2 -34,-0.0 -35,-0.1 0.732 116.1 39.4 -67.0 -23.0 20.4 4.6 27.3 409 453 A N T 3 S+ 0 0 90 -7,-0.2 -1,-0.3 -400,-0.1 -2,-0.2 0.233 89.4 132.3-106.3 11.3 18.3 7.0 25.2 410 454 A Y < - 0 0 16 -3,-1.3 2,-0.4 -7,-0.1 -3,-0.1 -0.382 31.8-176.6 -71.8 138.5 14.9 5.8 26.4 411 455 A D > - 0 0 62 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.960 12.7-159.7-134.2 117.1 12.2 8.3 27.6 412 456 A Y H > S+ 0 0 99 -2,-0.4 4,-1.4 1,-0.2 5,-0.1 0.837 89.5 51.4 -68.4 -35.9 9.0 6.8 29.0 413 457 A D H > S+ 0 0 62 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.916 116.5 39.4 -67.3 -44.6 6.8 9.9 28.5 414 458 A K H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.884 113.8 53.3 -73.5 -41.2 7.7 10.3 24.9 415 459 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.809 107.9 53.6 -63.1 -31.3 7.7 6.6 24.0 416 460 A W H X S+ 0 0 11 -4,-1.4 4,-1.3 -5,-0.2 3,-0.3 0.918 107.8 49.1 -66.4 -46.2 4.2 6.5 25.5 417 461 A N H X S+ 0 0 45 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.813 109.8 52.5 -63.5 -32.0 3.1 9.3 23.2 418 462 A R H X S+ 0 0 44 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.763 103.6 58.2 -73.8 -27.0 4.6 7.5 20.2 419 463 A A H X S+ 0 0 0 -4,-1.1 4,-1.5 -3,-0.3 -2,-0.2 0.883 113.2 37.0 -68.6 -39.6 2.7 4.3 21.1 420 464 A I H X S+ 0 0 0 -4,-1.3 4,-1.0 2,-0.2 5,-0.4 0.825 112.6 56.9 -84.7 -35.7 -0.7 6.0 20.8 421 465 A D H X S+ 0 0 52 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.887 115.4 38.1 -59.9 -40.4 0.1 8.3 17.9 422 466 A M H < S+ 0 0 62 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.932 114.8 49.3 -78.5 -49.5 1.1 5.3 15.7 423 467 A L H < S+ 0 0 56 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.593 125.2 27.0 -71.8 -12.8 -1.5 2.7 16.7 424 468 A Y H >< S- 0 0 44 -4,-1.0 3,-1.2 1,-0.2 2,-0.7 0.649 80.5-169.6-122.5 -28.7 -4.5 5.0 16.3 425 469 A G G >< S+ 0 0 46 -4,-1.2 3,-0.8 -5,-0.4 4,-0.2 -0.605 78.3 9.1 79.3-111.8 -3.6 7.7 13.7 426 470 A D G 3 S+ 0 0 178 -2,-0.7 3,-0.3 1,-0.2 -1,-0.3 0.748 131.8 56.1 -73.1 -25.1 -6.1 10.5 13.6 427 471 A L G <> S+ 0 0 38 -3,-1.2 4,-0.8 1,-0.2 -1,-0.2 -0.020 80.2 99.5 -98.1 29.5 -7.9 9.1 16.7 428 472 A A H <> S+ 0 0 2 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.946 72.9 54.2 -81.9 -52.6 -4.7 9.2 18.9 429 473 A E H > S+ 0 0 116 -3,-0.3 4,-1.4 1,-0.2 -1,-0.1 0.848 110.7 47.6 -53.4 -41.6 -5.1 12.4 20.9 430 474 A D H > S+ 0 0 33 -4,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.881 112.7 49.2 -67.4 -39.5 -8.6 11.4 22.2 431 475 A M H X S+ 0 0 3 -4,-0.8 4,-3.0 1,-0.2 5,-0.2 0.834 104.7 60.1 -67.5 -34.2 -7.2 7.9 23.1 432 476 A K H X S+ 0 0 22 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.909 102.0 52.5 -58.6 -43.6 -4.2 9.6 24.9 433 477 A V H X S+ 0 0 30 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.890 113.9 43.2 -60.6 -41.2 -6.7 11.4 27.2 434 478 A F H >< S+ 0 0 0 -4,-1.2 3,-0.6 2,-0.2 4,-0.3 0.910 116.3 46.0 -70.5 -45.9 -8.3 8.0 28.1 435 479 A A H >< S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.2 -70,-0.3 0.818 101.9 67.5 -67.5 -32.4 -5.0 6.1 28.4 436 480 A N H 3< S+ 0 0 30 -4,-2.7 18,-1.7 1,-0.3 3,-0.3 0.819 102.3 47.0 -54.8 -34.3 -3.5 8.9 30.5 437 481 A H T << S+ 0 0 6 -4,-0.7 124,-1.0 -3,-0.6 -1,-0.3 0.519 109.0 56.7 -86.8 -6.5 -6.0 8.1 33.3 438 482 A S S < S+ 0 0 0 -3,-1.4 -73,-2.4 -4,-0.3 -1,-0.2 -0.488 76.7 90.4-128.8 61.5 -5.4 4.3 33.2 439 483 A T + 0 0 0 -3,-0.3 2,-0.6 -75,-0.2 -73,-0.3 0.708 60.7 82.7-118.5 -47.1 -1.6 3.8 33.8 440 484 A R - 0 0 31 10,-0.1 2,-0.5 -75,-0.1 10,-0.2 -0.540 61.1-161.1 -71.6 113.3 -1.0 3.3 37.5 441 485 A M E +T 449 0J 0 8,-1.5 8,-2.4 -2,-0.6 2,-0.2 -0.841 26.4 145.4 -94.3 129.1 -1.7 -0.2 38.6 442 486 A D E -T 448 0J 20 -2,-0.5 6,-0.2 6,-0.2 4,-0.0 -0.823 35.1-167.8-164.8 124.3 -2.3 -0.7 42.3 443 487 A N - 0 0 27 4,-1.8 3,-0.2 -2,-0.2 5,-0.1 0.088 55.8-109.4 -97.2 21.2 -4.6 -3.1 44.3 444 488 A K S S+ 0 0 151 3,-0.3 4,-0.1 1,-0.2 2,-0.0 0.668 100.1 46.1 59.0 21.8 -3.9 -1.1 47.5 445 489 A T S S- 0 0 87 2,-0.5 -1,-0.2 0, 0.0 0, 0.0 -0.021 118.7 -9.9-148.4-106.9 -1.9 -4.0 48.9 446 490 A W S S+ 0 0 147 -3,-0.2 2,-0.5 -2,-0.0 -119,-0.3 0.734 112.8 66.3 -89.1 -26.1 0.9 -6.3 47.4 447 491 A A + 0 0 0 -121,-0.1 -4,-1.8 -122,-0.1 -2,-0.5 -0.861 53.7 140.4-103.3 128.9 0.8 -5.2 43.7 448 492 A K E +T 442 0J 77 -121,-2.3 2,-0.3 -2,-0.5 -6,-0.2 -0.858 14.4 129.5-162.5 137.4 1.7 -1.8 42.5 449 493 A S E +T 441 0J 1 -8,-2.4 -8,-1.5 -2,-0.3 -120,-0.2 -0.936 28.0 58.9-163.9-179.7 3.6 -0.6 39.4 450 494 A G S S- 0 0 1 -81,-0.5 -10,-0.1 -121,-0.4 2,-0.1 0.039 82.0 -37.7 80.5 178.1 3.6 1.8 36.4 451 495 A R - 0 0 14 -84,-0.3 -12,-0.1 -12,-0.1 -2,-0.1 -0.463 67.5 -97.6 -78.8 148.3 3.5 5.5 35.8 452 496 A E - 0 0 89 -2,-0.1 2,-0.3 -13,-0.1 -1,-0.1 -0.365 45.7-103.9 -64.9 142.0 1.2 7.8 38.0 453 497 A D S S- 0 0 3 1,-0.2 -16,-0.2 -16,-0.1 5,-0.1 -0.520 82.8 -24.6 -74.5 126.3 -2.2 8.6 36.4 454 498 A A S > S+ 0 0 0 -18,-1.7 4,-1.3 -2,-0.3 3,-0.4 0.877 70.5 178.5 47.2 52.8 -2.7 12.0 35.0 455 499 A P H >> S+ 0 0 54 0, 0.0 4,-2.3 0, 0.0 3,-0.9 0.919 73.9 56.5 -56.4 -47.2 -0.1 13.8 37.0 456 500 A E H 3> S+ 0 0 121 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.879 109.8 48.1 -48.8 -43.5 -0.5 17.3 35.5 457 501 A L H 3> S+ 0 0 6 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.786 108.9 54.1 -68.7 -29.4 -4.2 17.1 36.5 458 502 A R H < S+ 0 0 53 -4,-1.8 3,-0.7 1,-0.2 5,-0.5 0.731 113.5 54.7 -74.4 -24.4 -5.9 28.2 47.1 468 512 A L H >< S+ 0 0 29 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.861 108.4 49.5 -71.0 -37.4 -9.3 27.4 48.6 469 513 A S T 3< S+ 0 0 20 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.048 111.5 50.4 -91.4 25.2 -7.8 27.0 52.0 470 514 A S T < S- 0 0 22 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.1 0.009 111.1-104.5-150.9 23.5 -5.9 30.3 51.8 471 515 A K S < S+ 0 0 115 -3,-0.7 -3,-0.1 1,-0.2 -4,-0.1 0.271 73.6 143.6 77.3 -15.7 -8.4 32.9 50.8 472 516 A E - 0 0 100 -5,-0.5 2,-0.5 -6,-0.2 -1,-0.2 -0.193 55.5-114.1 -69.0 148.1 -7.0 33.0 47.3 473 517 A D + 0 0 132 1,-0.1 3,-0.2 -3,-0.1 -1,-0.1 -0.721 30.7 177.5 -83.4 123.7 -9.1 33.4 44.2 474 518 A A > + 0 0 9 -2,-0.5 4,-3.5 1,-0.1 5,-0.3 0.071 40.6 120.6-113.8 21.5 -9.1 30.3 42.0 475 519 A S H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 79.0 48.4 -52.4 -43.8 -11.4 31.4 39.2 476 520 A A H > S+ 0 0 76 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.877 116.0 42.8 -66.0 -40.1 -8.7 31.0 36.6 477 521 A L H > S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.861 113.0 52.9 -74.0 -37.8 -7.8 27.5 37.9 478 522 A I H X S+ 0 0 16 -4,-3.5 4,-2.4 2,-0.2 -2,-0.2 0.905 106.6 52.9 -63.8 -43.7 -11.5 26.5 38.3 479 523 A E H X S+ 0 0 149 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.888 109.6 49.1 -57.0 -41.8 -12.3 27.5 34.7 480 524 A E H X S+ 0 0 91 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.851 109.5 52.0 -68.5 -35.7 -9.5 25.3 33.5 481 525 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.943 106.0 52.7 -66.2 -49.9 -10.7 22.3 35.5 482 526 A Y H X S+ 0 0 60 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.911 113.7 45.1 -48.8 -47.1 -14.3 22.5 34.2 483 527 A G H X S+ 0 0 43 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.867 110.2 54.6 -65.1 -38.8 -12.8 22.4 30.7 484 528 A E H X S+ 0 0 74 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.880 109.6 45.7 -64.2 -40.8 -10.4 19.6 31.6 485 529 A F H X S+ 0 0 3 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.760 112.1 52.5 -74.6 -25.8 -13.2 17.4 32.8 486 530 A A H X S+ 0 0 52 -4,-1.3 4,-2.1 -5,-0.3 -2,-0.2 0.836 103.7 56.9 -74.6 -35.9 -15.3 18.2 29.7 487 531 A R H X S+ 0 0 70 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.839 104.9 53.8 -60.3 -35.5 -12.3 17.2 27.5 488 532 A M H X S+ 0 0 4 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.919 110.4 44.4 -64.5 -46.1 -12.5 13.8 29.3 489 533 A E H X S+ 0 0 66 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.817 113.7 51.1 -70.5 -32.4 -16.2 13.3 28.4 490 534 A E H X S+ 0 0 109 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.905 112.7 44.9 -69.5 -43.5 -15.6 14.5 24.8 491 535 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.885 111.7 51.6 -69.4 -40.7 -12.7 12.2 24.2 492 536 A C H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.823 111.3 47.6 -68.1 -33.2 -14.4 9.1 25.7 493 537 A N H X S+ 0 0 70 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.936 110.6 49.2 -72.9 -48.5 -17.6 9.5 23.7 494 538 A N H X S+ 0 0 66 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.799 110.2 53.7 -61.7 -30.2 -15.8 10.0 20.3 495 539 A L H >X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 3,-0.8 0.899 107.4 50.6 -66.3 -43.5 -13.8 6.9 21.1 496 540 A K H 3< S+ 0 0 83 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.826 110.4 49.6 -63.9 -33.8 -17.0 4.9 21.7 497 541 A A H 3< S+ 0 0 77 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.603 123.4 28.6 -80.4 -13.0 -18.4 6.1 18.4 498 542 A N H << S+ 0 0 99 -3,-0.8 -2,-0.2 -4,-0.5 -3,-0.1 0.590 83.3 117.7-128.9 -14.1 -15.3 5.1 16.4 499 543 A L < - 0 0 17 -4,-2.3 2,-0.1 -5,-0.1 6,-0.0 -0.316 65.0-115.1 -68.9 137.1 -13.3 2.2 17.9 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