==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-09 2X0Y . COMPND 2 MOLECULE: O-GLCNACASE NAGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR H.C.DORFMUELLER,D.M.F.VAN AALTEN . 1169 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 850 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 4.8 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 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 . 76 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 448 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.4 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 4 0 0 2 1 3 2 2 0 5 6 2 3 0 0 1 3 0 0 0 2 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 6 5 7 2 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 PARALLEL BRIDGES PER LADDER . 2 6 0 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 5 2 0 0 1 1 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 41 A V 0 0 110 0, 0.0 2,-0.3 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 -57.9 31.6 30.1 65.8 2 42 A L - 0 0 155 127,-0.1 16,-0.0 16,-0.1 0, 0.0 -0.631 360.0-110.5 -90.5 146.3 30.8 29.2 62.1 3 43 A V - 0 0 55 -2,-0.3 3,-0.1 125,-0.1 119,-0.1 -0.637 33.7-134.6 -75.4 119.8 32.6 30.7 59.1 4 44 A P - 0 0 40 0, 0.0 117,-0.1 0, 0.0 -1,-0.1 -0.212 41.2 -72.6 -64.1 161.7 30.3 33.1 57.2 5 45 A N - 0 0 81 417,-0.1 2,-0.4 1,-0.0 4,-0.0 -0.384 57.6-160.3 -54.7 130.3 30.1 32.9 53.3 6 46 A L - 0 0 14 -3,-0.1 3,-0.1 -2,-0.1 112,-0.1 -0.939 5.8-137.0-117.7 144.1 33.3 34.4 52.0 7 47 A N S S+ 0 0 0 -2,-0.4 2,-0.2 1,-0.2 399,-0.1 -0.919 88.4 26.8-147.8 123.7 34.0 35.8 48.5 8 48 A P S S- 0 0 0 0, 0.0 -1,-0.2 0, 0.0 398,-0.1 0.560 99.9-116.2 -69.6 161.1 36.6 35.2 47.1 9 49 A T - 0 0 44 -2,-0.2 2,-0.1 401,-0.1 404,-0.1 -0.501 34.6-121.9 -60.3 123.2 37.4 31.9 48.7 10 50 A P - 0 0 11 0, 0.0 3,-0.2 0, 0.0 125,-0.1 -0.474 13.0-124.8 -72.0 148.3 40.7 32.5 50.6 11 51 A E S S+ 0 0 55 1,-0.2 2,-0.5 125,-0.2 124,-0.2 0.945 94.3 21.5 -55.0 -55.0 43.6 30.3 49.6 12 52 A N E +A 134 0A 79 122,-2.4 122,-1.3 2,-0.0 2,-0.3 -0.969 68.9 156.7-125.8 122.1 44.3 29.0 53.1 13 53 A L E +A 133 0A 63 -2,-0.5 2,-0.4 120,-0.2 120,-0.2 -0.953 7.7 174.0-145.6 121.2 41.8 29.0 56.0 14 54 A E E -A 132 0A 113 118,-1.9 118,-2.3 -2,-0.3 2,-0.6 -0.992 32.6-125.4-126.0 136.2 41.8 26.8 59.1 15 55 A V E +A 131 0A 70 -2,-0.4 116,-0.2 116,-0.2 -2,-0.0 -0.727 31.0 175.0 -78.5 121.3 39.4 27.1 62.1 16 56 A V - 0 0 67 114,-1.7 2,-0.2 -2,-0.6 115,-0.2 0.232 59.0 -5.6-116.1 10.5 41.7 27.4 65.1 17 57 A G S S- 0 0 23 113,-0.8 113,-0.1 -16,-0.1 3,-0.1 -0.880 80.3 -82.8-172.1-157.6 39.1 28.1 67.9 18 58 A D - 0 0 123 -2,-0.2 -16,-0.1 1,-0.2 113,-0.1 0.241 66.5-121.4-118.5 9.8 35.4 28.7 68.6 19 59 A G - 0 0 20 78,-0.1 2,-0.3 -18,-0.1 -1,-0.2 0.141 23.3-128.5 76.6 169.7 35.4 32.5 68.0 20 60 A F E -F 128 0B 34 108,-1.9 108,-2.3 -3,-0.1 2,-0.6 -0.930 19.0 -97.6-149.5 170.5 34.5 35.4 70.2 21 61 A K E -F 127 0B 141 -2,-0.3 2,-0.4 106,-0.2 106,-0.3 -0.854 35.3-131.4 -97.4 121.0 32.4 38.5 70.4 22 62 A I - 0 0 5 104,-3.1 4,-0.1 -2,-0.6 39,-0.1 -0.583 31.3-115.5 -69.5 126.7 34.2 41.8 69.5 23 63 A T - 0 0 49 -2,-0.4 -1,-0.1 2,-0.1 38,-0.0 -0.049 24.3-104.3 -59.7 165.1 33.5 44.4 72.3 24 64 A S S S+ 0 0 96 27,-0.1 28,-2.8 1,-0.1 2,-0.3 0.700 110.3 33.5 -70.6 -21.8 31.6 47.6 71.6 25 65 A S E S-h 52 0C 29 26,-0.2 37,-0.3 28,-0.0 2,-0.3 -0.984 80.1-163.2-130.8 148.4 34.9 49.6 71.7 26 66 A I E -h 53 0C 1 26,-2.3 28,-3.4 -2,-0.3 2,-0.7 -0.833 24.6-111.1-130.4 161.9 38.2 48.3 70.5 27 67 A N E -b 63 0A 3 35,-3.4 37,-2.8 -2,-0.3 2,-0.6 -0.863 30.7-155.8 -94.1 114.0 42.0 48.9 70.7 28 68 A L E -b 64 0A 20 -2,-0.7 2,-0.5 26,-0.5 37,-0.2 -0.831 13.6-178.0 -95.2 120.2 43.4 50.0 67.3 29 69 A V E +b 65 0A 19 35,-2.4 37,-2.3 -2,-0.6 -2,-0.0 -0.966 64.8 14.2-123.6 115.7 47.1 49.3 66.8 30 70 A G S >> S+ 0 0 7 -2,-0.5 4,-2.6 35,-0.2 3,-1.7 0.325 72.3 137.0 107.9 -5.7 49.0 50.4 63.6 31 71 A E T 34 S+ 0 0 67 1,-0.3 8,-0.1 2,-0.2 -2,-0.1 0.617 76.9 45.4 -42.7 -22.7 46.4 52.8 62.2 32 72 A E T 34 S+ 0 0 139 1,-0.1 -1,-0.3 7,-0.0 4,-0.1 0.646 116.9 41.3-103.6 -19.3 49.2 55.3 61.3 33 73 A E T <4 S+ 0 0 102 -3,-1.7 -2,-0.2 33,-0.2 35,-0.2 0.728 100.5 86.1 -93.6 -30.8 51.7 52.8 59.8 34 74 A A S < S- 0 0 11 -4,-2.6 2,-0.1 32,-0.3 33,-0.1 -0.130 98.0 -68.4 -73.3 166.1 49.2 50.7 57.8 35 75 A D > - 0 0 29 1,-0.1 4,-2.7 74,-0.1 5,-0.2 -0.368 41.0-139.2 -58.1 125.9 47.8 51.4 54.3 36 76 A E H > S+ 0 0 138 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.860 101.8 50.5 -56.2 -44.4 45.6 54.5 54.4 37 77 A N H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.870 112.1 48.0 -64.1 -38.5 43.0 53.0 52.0 38 78 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.922 113.6 46.7 -66.1 -45.1 42.8 49.8 54.2 39 79 A V H X S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.883 112.0 50.7 -65.3 -38.8 42.5 51.8 57.4 40 80 A N H X S+ 0 0 72 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.875 110.4 50.3 -66.5 -34.1 39.8 54.1 55.8 41 81 A A H X S+ 0 0 10 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.940 112.3 47.2 -66.5 -47.6 38.0 50.9 54.8 42 82 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 3,-0.3 0.921 110.6 50.6 -56.7 -51.3 38.2 49.5 58.3 43 83 A R H X S+ 0 0 79 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.882 108.9 52.5 -57.4 -42.1 37.1 52.8 60.0 44 84 A E H X S+ 0 0 145 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.845 111.4 47.8 -63.4 -34.6 34.1 52.9 57.7 45 85 A F H X S+ 0 0 24 -4,-1.5 4,-1.4 -3,-0.3 -2,-0.2 0.964 113.6 44.1 -68.9 -56.2 33.1 49.4 58.7 46 86 A L H ><>S+ 0 0 8 -4,-2.7 5,-2.1 1,-0.2 3,-0.6 0.923 112.3 53.8 -57.1 -47.1 33.5 49.8 62.4 47 87 A T H ><5S+ 0 0 99 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.873 110.8 46.5 -51.5 -42.7 31.6 53.2 62.2 48 88 A A H 3<5S+ 0 0 75 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.694 114.4 47.3 -77.2 -20.4 28.7 51.4 60.4 49 89 A N T <<5S- 0 0 80 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.201 115.6-112.4-106.4 14.7 28.6 48.5 62.9 50 90 A N T < 5 + 0 0 131 -3,-0.8 2,-0.5 -4,-0.3 -3,-0.2 0.920 65.6 145.8 56.2 52.2 28.7 50.8 66.0 51 91 A I < - 0 0 6 -5,-2.1 -26,-0.2 -6,-0.1 -1,-0.2 -0.959 35.8-150.2-119.8 108.8 32.2 49.8 67.1 52 92 A E E -h 25 0C 115 -28,-2.8 -26,-2.3 -2,-0.5 2,-0.5 -0.333 11.9-120.1 -80.1 160.6 34.0 52.7 68.8 53 93 A I E -h 26 0C 77 -28,-0.2 2,-0.4 -2,-0.1 -26,-0.2 -0.902 23.8-127.1-100.6 126.8 37.8 53.2 68.8 54 94 A N - 0 0 45 -28,-3.4 -26,-0.5 -2,-0.5 3,-0.1 -0.591 9.8-159.8 -71.8 124.9 39.6 53.4 72.2 55 95 A S S S+ 0 0 123 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.775 86.0 33.2 -72.1 -28.2 41.7 56.5 72.6 56 96 A E S S- 0 0 161 1,-0.1 -1,-0.2 -3,-0.0 0, 0.0 -0.990 97.3-101.6-130.8 142.9 43.6 54.6 75.3 57 97 A N - 0 0 114 -2,-0.4 -2,-0.1 -3,-0.1 -1,-0.1 0.096 32.8-179.8 -56.2 167.6 44.3 50.8 75.6 58 98 A D - 0 0 57 3,-0.2 3,-0.5 -4,-0.1 -31,-0.1 -0.684 27.7-142.3-175.8 112.1 42.4 48.4 77.8 59 99 A P S S+ 0 0 124 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.564 100.1 59.9 -61.5 -11.9 43.1 44.6 78.1 60 100 A N S S+ 0 0 141 2,-0.1 2,-0.1 -3,-0.0 -37,-0.1 0.927 92.2 72.2 -78.2 -51.7 39.4 43.9 78.3 61 101 A S S S- 0 0 12 -3,-0.5 -3,-0.2 1,-0.1 -35,-0.1 -0.426 97.8 -90.4 -74.4 139.7 38.3 45.4 75.0 62 102 A T - 0 0 6 -37,-0.3 -35,-3.4 -2,-0.1 2,-0.5 -0.024 37.3-138.6 -44.3 142.3 39.2 43.6 71.7 63 103 A T E -bc 27 101A 19 37,-2.8 39,-2.5 -37,-0.2 2,-0.5 -0.945 14.7-168.8-114.4 121.5 42.5 44.5 70.0 64 104 A L E -bc 28 102A 4 -37,-2.8 -35,-2.4 -2,-0.5 2,-0.5 -0.944 6.1-168.9-112.3 122.2 42.8 44.9 66.2 65 105 A I E +bc 29 103A 1 37,-3.1 39,-3.2 -2,-0.5 2,-0.4 -0.947 7.6 179.1-118.3 129.1 46.3 45.1 64.8 66 106 A I E + c 0 104A 0 -37,-2.3 -32,-0.3 -2,-0.5 2,-0.3 -0.980 16.7 104.5-137.5 134.8 47.0 46.2 61.2 67 107 A G E - c 0 105A 0 37,-2.0 39,-1.4 -2,-0.4 2,-0.2 -0.948 55.3 -79.7 173.8 173.0 50.0 46.7 58.9 68 108 A E E > - c 0 106A 30 -2,-0.3 3,-1.4 37,-0.2 39,-0.2 -0.492 40.3-115.9 -85.5 159.7 52.4 45.7 56.1 69 109 A V T 3 S+ 0 0 19 37,-1.7 4,-0.1 1,-0.3 38,-0.1 0.853 113.4 66.3 -63.4 -37.0 55.2 43.1 56.5 70 110 A D T 3 S+ 0 0 140 37,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.379 87.2 92.0 -67.4 4.1 57.8 45.8 55.8 71 111 A D S < S- 0 0 45 -3,-1.4 2,-1.3 2,-0.1 -38,-0.0 -0.897 77.5-135.6-103.7 131.3 56.7 47.4 59.0 72 112 A D + 0 0 156 -2,-0.5 -2,-0.1 4,-0.0 -3,-0.1 -0.719 49.0 144.2 -83.1 88.6 58.5 46.6 62.3 73 113 A I >> - 0 0 16 -2,-1.3 4,-1.4 -4,-0.1 3,-0.9 -0.852 28.7-172.0-132.0 97.9 55.4 46.2 64.6 74 114 A P H 3> S+ 0 0 86 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.633 82.0 65.5 -73.2 -16.4 56.1 43.4 67.1 75 115 A E H 3> S+ 0 0 104 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.889 102.9 48.9 -65.8 -42.6 52.5 43.4 68.4 76 116 A L H <> S+ 0 0 1 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.957 112.4 48.0 -58.0 -53.1 51.4 42.2 65.0 77 117 A D H X>S+ 0 0 93 -4,-1.4 4,-1.5 1,-0.2 5,-0.5 0.935 112.2 49.0 -52.4 -53.2 54.2 39.5 65.2 78 118 A E H <5S+ 0 0 135 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.898 114.3 45.4 -54.2 -46.7 53.0 38.5 68.7 79 119 A A H <5S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.802 107.9 58.3 -68.6 -29.8 49.4 38.3 67.6 80 120 A L H ><5S- 0 0 4 -4,-2.3 3,-0.9 -3,-0.2 -1,-0.2 0.753 87.5-154.3 -76.5 -27.9 50.3 36.4 64.4 81 121 A N T 3<5S- 0 0 94 -4,-1.5 2,-0.4 -3,-0.3 -3,-0.1 0.850 70.7 -38.2 61.6 42.1 51.9 33.5 66.3 82 122 A G T 3 S+ 0 0 0 -2,-0.3 3,-1.3 21,-0.1 7,-0.1 0.264 74.9 107.8-100.8 7.4 52.6 37.3 54.7 86 126 A E T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -17,-0.1 -16,-0.0 0.886 84.0 33.6 -55.3 -49.9 56.3 37.7 54.1 87 127 A N T 3 S+ 0 0 136 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.205 95.5 109.0 -96.1 13.5 56.7 35.0 51.4 88 128 A L S < S- 0 0 24 -3,-1.3 3,-0.1 1,-0.1 4,-0.1 -0.514 71.7-101.8 -89.2 160.5 53.3 35.5 49.7 89 129 A K > - 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0 0 94 1,-0.1 2,-0.2 -13,-0.1 -1,-0.1 -0.164 47.0 -96.1 -51.0 149.6 22.1 25.6 30.7 457 497 A D S S- 0 0 4 1,-0.2 -16,-0.2 -16,-0.1 5,-0.2 -0.516 89.3 -22.3 -68.5 142.4 18.8 26.9 32.2 458 498 A A S > S- 0 0 0 -18,-3.6 4,-2.2 -2,-0.2 3,-0.2 0.689 72.5-177.2 27.6 64.7 17.2 25.0 35.0 459 499 A P H > S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.838 75.0 52.5 -66.2 -33.5 19.0 21.7 34.2 460 500 A E H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.871 111.7 45.8 -69.5 -38.8 17.3 19.5 37.0 461 501 A L H > S+ 0 0 8 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 110.6 55.5 -70.0 -37.6 13.8 20.6 35.8 462 502 A R H X S+ 0 0 42 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.909 107.2 49.1 -58.0 -42.1 14.9 19.9 32.3 463 503 A A H X S+ 0 0 59 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.904 111.1 50.3 -66.6 -40.1 15.9 16.3 33.3 464 504 A K H X S+ 0 0 52 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.892 109.3 50.0 -63.6 -43.7 12.5 15.8 35.0 465 505 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.902 109.6 52.4 -58.9 -45.6 10.6 17.0 31.9 466 506 A D H X S+ 0 0 72 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.909 108.3 50.7 -57.2 -42.9 12.7 14.6 29.8 467 507 A E H X S+ 0 0 97 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.852 105.2 57.2 -64.5 -35.9 11.7 11.8 32.1 468 508 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.931 108.6 45.7 -61.6 -45.2 8.0 12.7 31.9 469 509 A W H X S+ 0 0 7 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.915 112.3 50.9 -65.5 -42.6 8.1 12.3 28.1 470 510 A N H X S+ 0 0 98 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.950 114.2 44.3 -56.2 -49.8 10.1 9.0 28.3 471 511 A K H ><>S+ 0 0 43 -4,-2.8 5,-2.9 1,-0.2 3,-0.8 0.934 114.7 47.9 -61.9 -50.0 7.5 7.6 30.8 472 512 A L H ><5S+ 0 0 7 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.818 114.2 46.6 -61.3 -32.8 4.5 8.8 28.9 473 513 A S H 3<5S+ 0 0 29 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.605 111.7 51.2 -89.1 -9.2 5.8 7.4 25.7 474 514 A S T <<5S- 0 0 64 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.154 113.9-113.9-104.3 11.0 6.7 4.1 27.2 475 515 A K T < 5 + 0 0 112 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.816 68.6 146.7 55.9 31.8 3.3 3.6 28.8 476 516 A E < - 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0 0 10 -84,-0.4 -12,-0.1 -12,-0.2 -2,-0.1 -0.358 69.5 -93.1 -60.8 146.0 16.6 13.4 6.3 1042 496 B E - 0 0 95 1,-0.1 -1,-0.1 -13,-0.1 -14,-0.1 -0.288 48.3 -98.7 -60.0 146.8 17.2 17.0 7.5 1043 497 B D S S- 0 0 7 1,-0.2 -16,-0.2 -16,-0.1 5,-0.2 -0.396 88.5 -21.7 -64.1 145.7 15.1 19.6 5.6 1044 498 B A S > S- 0 0 0 -18,-3.1 4,-2.5 1,-0.1 -1,-0.2 0.611 72.0-178.9 22.2 66.6 16.9 21.6 2.8 1045 499 B P H > S+ 0 0 55 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.824 75.3 53.1 -68.3 -31.7 20.5 20.9 4.0 1046 500 B E H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.922 112.7 44.6 -65.7 -47.4 22.2 22.9 1.3 1047 501 B L H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.901 111.1 54.4 -61.7 -42.8 20.1 26.0 2.0 1048 502 B R H X S+ 0 0 40 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 108.0 50.3 -58.4 -38.8 20.6 25.4 5.8 1049 503 B A H X S+ 0 0 57 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.868 109.9 50.5 -67.6 -37.4 24.5 25.4 5.1 1050 504 B K H X S+ 0 0 54 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.892 109.1 50.1 -67.8 -39.6 24.2 28.7 3.2 1051 505 B M H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.931 109.6 52.2 -61.0 -45.6 22.2 30.4 6.0 1052 506 B D H X S+ 0 0 74 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.921 109.2 49.9 -53.6 -46.2 24.8 29.3 8.5 1053 507 B E H X S+ 0 0 71 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.820 104.5 59.1 -67.4 -30.0 27.5 30.8 6.3 1054 508 B L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.950 109.0 43.0 -61.6 -47.6 25.5 34.0 6.1 1055 509 B W H X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.835 111.6 55.7 -68.4 -33.1 25.6 34.4 9.9 1056 510 B N H X S+ 0 0 78 -4,-2.0 4,-1.0 -5,-0.2 6,-0.2 0.945 111.6 43.4 -60.4 -47.0 29.3 33.4 9.9 1057 511 B K H <>S+ 0 0 51 -4,-2.4 5,-3.0 2,-0.2 3,-0.3 0.928 114.9 47.9 -64.2 -48.4 30.1 36.2 7.5 1058 512 B L H ><5S+ 0 0 8 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.883 114.6 44.8 -63.4 -42.2 28.0 38.9 9.1 1059 513 B S H 3<5S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.653 113.6 51.1 -78.4 -14.9 29.3 38.2 12.6 1060 514 B S T 3<5S- 0 0 66 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.286 114.0-118.8 -95.0 5.8 32.9 38.0 11.3 1061 515 B K T < 5 + 0 0 103 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.755 64.2 148.4 54.4 29.3 32.4 41.4 9.5 1062 516 B E < - 0 0 103 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.704 59.9 -93.8 -86.9 144.8 33.1 39.7 6.1 1063 517 B D + 0 0 129 -2,-0.3 4,-0.2 1,-0.1 3,-0.1 -0.344 42.2 178.4 -60.3 129.9 31.3 41.1 3.0 1064 518 B A > + 0 0 4 1,-0.1 4,-3.1 2,-0.1 5,-0.2 0.223 44.6 111.4-119.7 12.7 28.1 39.1 2.5 1065 519 B S H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.868 80.6 47.0 -55.6 -42.8 26.7 40.9 -0.5 1066 520 B A H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 114.8 44.9 -69.6 -48.2 27.2 38.0 -2.8 1067 521 B L H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.929 112.1 53.1 -59.6 -45.9 25.7 35.4 -0.5 1068 522 B I H X S+ 0 0 8 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.954 109.9 48.1 -53.9 -49.4 22.7 37.8 0.3 1069 523 B E H X S+ 0 0 150 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.926 111.2 51.6 -56.8 -45.9 22.0 38.1 -3.4 1070 524 B E H X S+ 0 0 87 -4,-2.4 4,-1.6 1,-0.2 3,-0.4 0.923 108.7 49.9 -57.1 -47.9 22.2 34.3 -3.8 1071 525 B L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.859 104.0 58.3 -64.1 -35.9 19.7 33.8 -0.9 1072 526 B Y H X S+ 0 0 61 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.864 107.2 51.0 -54.0 -39.1 17.2 36.3 -2.5 1073 527 B G H X S+ 0 0 43 -4,-1.4 4,-1.9 -3,-0.4 -2,-0.2 0.855 109.1 48.4 -66.4 -41.1 17.4 34.0 -5.4 1074 528 B E H X S+ 0 0 69 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.900 112.6 48.0 -67.4 -41.1 16.7 30.8 -3.4 1075 529 B F H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.923 111.9 49.0 -69.0 -41.1 13.7 32.4 -1.6 1076 530 B A H X S+ 0 0 58 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.899 111.0 51.5 -62.6 -38.5 12.3 33.7 -4.9 1077 531 B R H X S+ 0 0 77 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.906 108.0 51.9 -63.7 -40.8 12.7 30.2 -6.3 1078 532 B M H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.930 113.2 44.2 -59.2 -49.3 10.9 28.6 -3.3 1079 533 B E H X S+ 0 0 57 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.935 114.7 48.1 -64.6 -47.0 8.0 30.9 -3.7 1080 534 B E H X S+ 0 0 100 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.874 110.2 51.9 -65.0 -35.7 7.8 30.5 -7.5 1081 535 B A H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.934 111.7 47.2 -64.0 -42.2 8.0 26.7 -7.3 1082 536 B C H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.908 110.5 51.6 -68.3 -42.6 5.1 26.6 -4.8 1083 537 B N H X S+ 0 0 68 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.909 110.8 48.3 -57.7 -44.9 3.0 29.0 -6.9 1084 538 B N H X S+ 0 0 49 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.905 111.4 50.8 -61.4 -40.5 3.5 26.8 -10.0 1085 539 B L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.930 107.7 52.5 -63.9 -45.6 2.6 23.7 -7.9 1086 540 B K H < S+ 0 0 84 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.859 116.8 40.5 -51.8 -39.8 -0.6 25.3 -6.7 1087 541 B A H < S+ 0 0 73 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.808 128.7 25.0 -82.5 -32.7 -1.5 26.1 -10.3 1088 542 B N H < S+ 0 0 89 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.640 84.0 111.3-117.9 -14.6 -0.4 22.9 -12.0 1089 543 B L S < S- 0 0 10 -4,-2.9 -75,-0.0 -5,-0.3 2,-0.0 -0.339 76.4-106.1 -57.7 138.6 -0.4 20.0 -9.5 1090 544 B P >> - 0 0 68 0, 0.0 4,-3.2 0, 0.0 3,-0.7 -0.380 31.1-112.1 -61.0 152.4 -3.2 17.5 -10.3 1091 545 B E H 3> S+ 0 0 160 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.848 114.6 63.0 -55.8 -40.2 -6.0 17.7 -7.8 1092 546 B V H 34 S+ 0 0 72 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.870 116.1 31.1 -58.0 -38.8 -5.2 14.3 -6.3 1093 547 B A H X> S+ 0 0 1 -3,-0.7 3,-1.7 2,-0.1 4,-1.0 0.926 117.2 55.5 -78.4 -49.5 -1.8 15.6 -5.2 1094 548 B L H >X S+ 0 0 45 -4,-3.2 4,-1.3 1,-0.3 3,-0.7 0.862 99.8 62.8 -54.7 -40.9 -2.8 19.3 -4.6 1095 549 B E H 3< S+ 0 0 139 -4,-2.9 -1,-0.3 1,-0.2 4,-0.2 0.758 104.5 46.4 -48.9 -37.4 -5.5 18.2 -2.2 1096 550 B E H <4 S+ 0 0 23 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.748 124.2 28.1 -84.7 -24.2 -3.0 16.7 0.2 1097 551 B C H S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 112.3 51.0 -65.1 -35.5 -1.9 24.2 3.1 1100 554 B Q H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.864 108.0 54.1 -71.2 -33.2 1.8 23.3 3.3 1101 555 B L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.941 109.1 46.9 -59.6 -51.3 2.3 25.0 -0.1 1102 556 B D H X S+ 0 0 71 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.858 111.1 53.8 -62.3 -36.6 0.8 28.2 1.3 1103 557 B E H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.931 107.6 48.4 -64.2 -45.8 3.0 27.8 4.4 1104 558 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.863 110.7 52.2 -62.4 -36.3 6.2 27.5 2.4 1105 559 B I H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.940 110.1 48.6 -62.3 -45.5 5.3 30.6 0.4 1106 560 B T H X S+ 0 0 24 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.917 113.3 46.7 -61.8 -44.6 4.6 32.5 3.6 1107 561 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.903 110.6 52.7 -62.9 -44.2 8.0 31.4 5.0 1108 562 B A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.879 110.2 48.3 -57.7 -43.0 9.8 32.3 1.8 1109 563 B Q H X S+ 0 0 53 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.853 112.5 48.4 -67.6 -35.0 8.3 35.8 1.9 1110 564 B G H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.818 109.9 52.6 -72.8 -34.0 9.4 36.1 5.5 1111 565 B D H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.906 109.3 49.2 -62.8 -46.8 12.9 34.9 4.6 1112 566 B K H X S+ 0 0 98 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 110.5 50.9 -60.1 -41.5 13.0 37.6 1.9 1113 567 B A H X S+ 0 0 3 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.824 105.4 56.6 -66.6 -31.1 11.9 40.1 4.4 1114 568 B S H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.896 105.9 49.7 -66.6 -42.3 14.6 39.0 6.8 1115 569 B L H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.916 107.1 55.3 -60.0 -42.3 17.3 39.7 4.2 1116 570 B D H X S+ 0 0 45 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.841 106.6 52.4 -60.9 -35.2 15.7 43.1 3.7 1117 571 B M H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.949 110.6 45.8 -61.6 -52.8 16.2 43.6 7.5 1118 572 B I H X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.932 113.5 49.2 -55.7 -50.6 19.9 42.7 7.2 1119 573 B V H X S+ 0 0 43 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.887 109.1 53.0 -57.2 -40.7 20.5 44.9 4.2 1120 574 B A H <>S+ 0 0 4 -4,-2.0 5,-3.1 -5,-0.2 -1,-0.2 0.855 109.8 48.4 -66.1 -34.6 18.7 47.8 5.9 1121 575 B Q H ><5S+ 0 0 15 -4,-1.8 3,-0.7 3,-0.2 -1,-0.2 0.836 110.1 50.8 -72.6 -35.4 21.1 47.4 8.9 1122 576 B L H 3<5S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.816 114.7 45.1 -68.9 -31.4 24.1 47.3 6.6 1123 577 B N T 3<5S- 0 0 116 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.347 109.3-125.6 -89.3 1.2 22.8 50.5 5.0 1124 578 B E T < 5 + 0 0 183 -3,-0.7 2,-0.8 1,-0.2 -3,-0.2 0.868 58.4 150.4 49.6 41.6 22.1 52.1 8.4 1125 579 B D >< - 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