==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAY-08 2VUR . COMPND 2 MOLECULE: O-GLCNACASE NAGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR S.PATHAK,H.C.DORFMUELLER,V.S.BORODKIN,D.M.F.VAN AALTEN . 1168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 832 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 4.9 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 . 68 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 440 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.2 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 4 0 0 2 2 4 1 1 0 9 4 2 1 0 0 1 3 0 0 0 2 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 6 4 8 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 3 1 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 . 4 2 0 0 0 2 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 0 105 0, 0.0 129,-0.3 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 -86.8 45.4 69.6 -27.0 2 42 A L - 0 0 156 1,-0.1 16,-0.0 127,-0.1 0, 0.0 -0.271 360.0-108.2 -76.4 153.5 45.1 68.5 -23.3 3 43 A V - 0 0 50 125,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.650 33.3-134.7 -83.2 126.8 46.5 70.4 -20.3 4 44 A P - 0 0 42 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.145 41.4 -69.2 -67.7 169.3 49.4 68.8 -18.6 5 45 A N - 0 0 77 417,-0.1 2,-0.4 116,-0.0 4,-0.0 -0.421 58.7-158.7 -55.1 133.0 49.9 68.4 -14.8 6 46 A L - 0 0 15 -3,-0.1 3,-0.1 -2,-0.1 112,-0.1 -0.958 4.7-137.9-122.7 139.8 50.4 71.9 -13.4 7 47 A N S S+ 0 0 0 -2,-0.4 2,-0.2 1,-0.3 162,-0.1 -0.931 89.5 25.4-146.6 126.2 52.0 72.9 -10.1 8 48 A P S S- 0 0 1 0, 0.0 -1,-0.3 0, 0.0 398,-0.1 0.599 101.4-115.2 -66.7 155.7 50.9 75.0 -8.4 9 49 A T - 0 0 41 -2,-0.2 404,-0.1 -3,-0.1 -2,-0.1 -0.453 38.6-118.8 -52.9 116.5 47.3 74.7 -9.6 10 50 A P - 0 0 11 0, 0.0 3,-0.2 0, 0.0 125,-0.1 -0.331 13.0-124.9 -64.8 150.1 46.7 78.1 -11.3 11 51 A E S S+ 0 0 48 1,-0.2 2,-0.4 125,-0.1 124,-0.2 0.936 93.9 18.6 -63.3 -51.2 44.0 80.2 -9.8 12 52 A N E +A 134 0A 70 122,-2.1 122,-1.4 2,-0.0 2,-0.4 -0.986 69.7 165.7-125.5 125.9 42.0 80.7 -13.1 13 53 A L E +A 133 0A 67 -2,-0.4 2,-0.4 120,-0.2 120,-0.2 -0.958 7.4 179.5-142.3 125.0 42.3 78.5 -16.2 14 54 A E E -A 132 0A 120 118,-1.9 118,-1.9 -2,-0.4 2,-0.7 -0.987 22.7-142.5-123.8 124.3 40.1 78.3 -19.2 15 55 A V E +A 131 0A 84 -2,-0.4 116,-0.3 116,-0.2 -2,-0.0 -0.800 27.7 171.2 -83.3 114.6 40.7 75.9 -22.2 16 56 A V + 0 0 53 114,-1.9 2,-0.3 -2,-0.7 115,-0.2 0.148 53.5 6.8-116.5 16.1 39.6 78.1 -25.1 17 57 A G S S- 0 0 26 113,-0.7 113,-0.4 -16,-0.1 3,-0.1 -0.968 81.5 -84.1-176.9-174.7 40.7 76.1 -28.2 18 58 A D - 0 0 137 -2,-0.3 2,-0.1 1,-0.2 -16,-0.0 0.506 67.8-117.6 -92.1 -6.2 42.2 72.9 -29.6 19 59 A G - 0 0 22 78,-0.1 2,-0.3 110,-0.0 -1,-0.2 -0.133 26.0-135.4 90.6 170.1 45.9 73.7 -29.1 20 60 A F E -G 128 0B 32 108,-1.8 108,-1.9 -3,-0.1 2,-0.4 -0.966 19.9 -92.0-156.9 169.7 48.7 74.2 -31.6 21 61 A K E -G 127 0B 135 -2,-0.3 2,-0.4 106,-0.2 106,-0.2 -0.761 32.3-131.5 -94.0 132.3 52.4 73.3 -32.3 22 62 A I - 0 0 11 104,-3.6 4,-0.1 -2,-0.4 39,-0.0 -0.695 31.3-117.2 -78.8 129.1 55.2 75.7 -31.3 23 63 A T - 0 0 47 -2,-0.4 -1,-0.1 1,-0.1 38,-0.1 -0.305 14.7-121.9 -68.1 150.3 57.5 76.3 -34.2 24 64 A S S S+ 0 0 92 1,-0.1 28,-3.2 27,-0.1 2,-0.4 0.640 108.4 41.2 -71.2 -14.0 61.2 75.2 -33.8 25 65 A S E S-b 52 0A 36 26,-0.2 37,-0.5 28,-0.0 2,-0.3 -0.997 85.3-175.5-126.6 128.9 62.1 78.8 -34.5 26 66 A I E -bc 53 62A 4 26,-2.4 28,-3.2 -2,-0.4 2,-0.6 -0.799 30.4-108.2-122.8 166.1 59.9 81.5 -32.8 27 67 A N E - c 0 63A 4 35,-3.4 37,-3.7 -2,-0.3 2,-0.6 -0.836 30.3-158.5 -88.4 120.9 59.4 85.2 -32.6 28 68 A L E + c 0 64A 19 -2,-0.6 2,-0.4 26,-0.4 37,-0.2 -0.919 15.7 175.9-103.2 119.4 60.5 86.7 -29.2 29 69 A V E + c 0 65A 26 35,-2.9 37,-2.3 -2,-0.6 44,-0.0 -0.989 61.7 25.5-128.1 128.6 58.9 90.0 -28.4 30 70 A G S >> S+ 0 0 12 -2,-0.4 4,-2.4 35,-0.2 3,-1.7 0.198 73.7 134.8 108.5 -9.8 59.3 92.0 -25.1 31 71 A E T 34 S+ 0 0 65 1,-0.3 -2,-0.1 2,-0.2 8,-0.1 0.534 72.9 44.3 -47.4 -18.9 62.7 90.4 -24.4 32 72 A E T 34 S+ 0 0 174 7,-0.0 -1,-0.3 1,-0.0 4,-0.1 0.660 117.7 39.3-102.7 -24.1 64.2 93.8 -23.5 33 73 A E T <4 S+ 0 0 101 -3,-1.7 -2,-0.2 33,-0.2 3,-0.1 0.723 99.6 89.0 -94.6 -28.6 61.4 95.3 -21.3 34 74 A A S < S- 0 0 9 -4,-2.4 5,-0.1 32,-0.3 33,-0.1 -0.297 96.7 -70.9 -76.7 155.7 60.5 92.2 -19.4 35 75 A D > - 0 0 29 1,-0.1 4,-2.3 2,-0.1 3,-0.2 -0.171 40.1-139.3 -46.0 125.1 62.0 90.8 -16.2 36 76 A E H > S+ 0 0 139 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.854 100.5 51.4 -58.8 -41.9 65.5 89.6 -16.8 37 77 A N H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.840 111.1 48.7 -67.7 -34.5 65.2 86.5 -14.6 38 78 A A H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.927 112.9 47.9 -66.4 -46.0 62.0 85.5 -16.3 39 79 A V H X S+ 0 0 6 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.898 111.0 50.8 -61.5 -43.4 63.6 86.0 -19.7 40 80 A N H X S+ 0 0 66 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.902 110.5 48.6 -63.9 -40.1 66.7 83.9 -18.7 41 81 A A H X S+ 0 0 9 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.871 113.8 48.5 -65.9 -35.9 64.5 81.1 -17.5 42 82 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 3,-0.4 0.969 111.4 47.3 -65.9 -54.9 62.6 81.4 -20.8 43 83 A R H X S+ 0 0 93 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.782 111.1 55.0 -51.9 -32.8 65.9 81.3 -22.9 44 84 A E H X S+ 0 0 134 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.865 111.0 41.8 -74.2 -40.5 67.0 78.4 -20.7 45 85 A F H X S+ 0 0 24 -4,-1.6 4,-1.9 -3,-0.4 -2,-0.2 0.867 113.3 53.2 -72.6 -43.0 63.9 76.3 -21.5 46 86 A L H <>S+ 0 0 3 -4,-2.6 5,-2.6 2,-0.2 3,-0.4 0.955 110.7 47.0 -57.7 -54.6 63.9 77.2 -25.2 47 87 A T H ><5S+ 0 0 108 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.930 113.4 49.0 -47.8 -53.0 67.5 76.1 -25.5 48 88 A A H 3<5S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.770 110.8 49.7 -64.7 -28.2 66.8 72.9 -23.7 49 89 A N T 3<5S- 0 0 63 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.138 117.8-107.3-102.5 20.0 63.8 72.0 -25.8 50 90 A N T < 5S+ 0 0 144 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.811 71.2 142.4 63.6 36.2 65.5 72.7 -29.2 51 91 A I < - 0 0 6 -5,-2.6 -26,-0.2 -6,-0.2 -1,-0.2 -0.942 34.8-154.8-112.5 124.7 63.7 75.9 -30.0 52 92 A E E -b 25 0A 138 -28,-3.2 -26,-2.4 -2,-0.5 2,-0.5 -0.570 15.5-121.0 -96.1 157.7 65.6 78.8 -31.6 53 93 A I E -b 26 0A 42 -28,-0.2 -26,-0.2 -2,-0.2 2,-0.2 -0.888 26.6-121.2-102.3 120.2 64.9 82.6 -31.5 54 94 A N - 0 0 30 -28,-3.2 -26,-0.4 -2,-0.5 3,-0.1 -0.408 11.0-153.3 -58.3 124.1 64.2 84.4 -34.8 55 95 A S S S+ 0 0 130 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.670 87.2 26.9 -73.3 -18.8 66.8 87.2 -35.3 56 96 A E S S- 0 0 167 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.988 105.4 -77.9-143.8 147.6 64.1 88.9 -37.4 57 97 A N S S- 0 0 124 -2,-0.3 -30,-0.1 1,-0.1 -2,-0.1 -0.068 73.4 -27.3 -57.5 125.6 60.3 88.6 -37.3 58 98 A D + 0 0 44 1,-0.2 -1,-0.1 4,-0.2 -32,-0.1 0.870 19.0 178.0 59.3 85.1 58.0 85.9 -38.6 59 99 A P S S- 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.430 98.8 -72.6 -83.2 51.1 58.3 83.4 -41.4 60 100 A N S S+ 0 0 136 1,-0.1 2,-0.1 -3,-0.0 3,-0.1 0.889 92.1 160.9 37.3 53.8 55.0 82.8 -39.6 61 101 A S - 0 0 15 1,-0.2 -35,-0.2 -38,-0.1 -1,-0.1 -0.355 52.4 -81.6 -72.6 166.0 56.7 81.3 -36.7 62 102 A T E -c 26 0A 5 -37,-0.5 -35,-3.4 -2,-0.1 2,-0.5 -0.452 48.2-134.4 -62.5 145.2 55.0 81.1 -33.3 63 103 A T E -cd 27 101A 10 37,-2.6 39,-2.5 -37,-0.2 2,-0.5 -0.955 17.6-167.7-111.5 126.8 55.1 84.4 -31.5 64 104 A L E -cd 28 102A 3 -37,-3.7 -35,-2.9 -2,-0.5 2,-0.4 -0.964 5.8-170.2-112.5 118.9 56.0 84.6 -27.8 65 105 A I E +cd 29 103A 2 37,-2.8 39,-2.5 -2,-0.5 2,-0.3 -0.928 7.5 178.8-111.5 133.2 55.4 88.0 -26.0 66 106 A I E + d 0 104A 1 -37,-2.3 -32,-0.3 -2,-0.4 2,-0.3 -0.983 19.9 96.3-137.3 142.4 56.7 88.6 -22.5 67 107 A G E - d 0 105A 0 37,-1.7 39,-2.0 -2,-0.3 2,-0.2 -0.973 54.4 -82.0 167.1-172.9 56.6 91.6 -20.1 68 108 A E E > - d 0 106A 27 -2,-0.3 3,-1.2 37,-0.2 39,-0.2 -0.647 53.5 -76.2-113.0 169.4 54.9 93.3 -17.2 69 109 A V T 3 S+ 0 0 29 37,-1.8 -1,-0.1 1,-0.2 3,-0.1 -0.313 118.7 17.8 -63.9 148.2 51.9 95.6 -16.8 70 110 A D T 3 S+ 0 0 169 1,-0.3 -1,-0.2 3,-0.1 2,-0.1 0.347 91.6 137.8 63.3 -8.6 52.4 99.2 -17.9 71 111 A D < - 0 0 32 -3,-1.2 2,-2.1 1,-0.1 -1,-0.3 -0.459 69.9-110.4 -55.8 136.6 55.5 97.9 -19.8 72 112 A D S S+ 0 0 135 -3,-0.1 -1,-0.1 -2,-0.1 -3,-0.1 -0.501 74.6 125.9 -79.5 77.1 55.4 99.6 -23.2 73 113 A I > + 0 0 8 -2,-2.1 4,-1.2 -5,-0.1 -3,-0.1 -0.896 32.0 178.3-138.7 102.9 54.5 96.6 -25.3 74 114 A P H > S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.762 82.7 64.3 -71.6 -30.4 51.4 96.8 -27.6 75 115 A E H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.889 103.2 49.6 -59.6 -40.1 51.9 93.3 -29.0 76 116 A L H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 107.7 53.0 -63.7 -48.0 51.3 92.0 -25.5 77 117 A D H X S+ 0 0 98 -4,-1.2 4,-1.0 1,-0.2 -2,-0.2 0.913 112.0 46.7 -50.9 -47.6 48.1 94.1 -25.2 78 118 A E H < S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.874 110.5 49.1 -67.3 -43.9 46.8 92.6 -28.4 79 119 A A H < S+ 0 0 22 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.819 111.0 50.7 -68.4 -32.9 47.6 88.9 -27.7 80 120 A L H >< S+ 0 0 7 -4,-1.9 3,-1.5 -5,-0.2 -1,-0.2 0.787 81.5 172.7 -70.7 -29.4 46.0 89.0 -24.3 81 121 A N T 3< - 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0 0 9 -84,-0.4 -12,-0.1 -12,-0.2 3,-0.1 -0.436 69.5 -97.3 -58.4 138.0 40.0 47.6 32.1 1041 496 B E - 0 0 94 -13,-0.1 -1,-0.1 -2,-0.1 -14,-0.1 -0.299 47.4 -97.8 -54.8 142.5 43.2 49.2 30.7 1042 497 B D S S- 0 0 6 1,-0.2 -16,-0.3 -16,-0.2 5,-0.2 -0.351 89.4 -18.9 -61.1 144.5 46.4 47.8 32.2 1043 498 B A S > S- 0 0 0 -18,-3.3 4,-2.6 1,-0.1 3,-0.2 0.655 73.8-176.0 25.3 64.6 48.1 49.8 35.0 1044 499 B P H > S+ 0 0 50 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.802 75.9 47.9 -65.3 -31.5 46.2 53.1 34.2 1045 500 B E H > S+ 0 0 104 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.840 111.8 50.3 -79.3 -31.7 47.9 55.4 36.7 1046 501 B L H > S+ 0 0 5 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.941 109.5 52.8 -64.3 -46.5 51.4 54.1 35.7 1047 502 B R H X S+ 0 0 41 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.898 108.6 49.4 -52.5 -43.5 50.4 54.8 32.1 1048 503 B A H X S+ 0 0 59 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.887 109.8 51.7 -66.0 -35.9 49.4 58.4 33.1 1049 504 B K H X S+ 0 0 44 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.906 109.2 50.2 -65.0 -42.8 52.8 58.9 34.9 1050 505 B M H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.904 109.1 51.9 -59.4 -45.6 54.7 57.6 31.7 1051 506 B D H X S+ 0 0 74 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.889 108.8 50.6 -59.5 -41.8 52.7 60.1 29.6 1052 507 B E H X S+ 0 0 80 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.838 105.0 57.3 -68.3 -31.6 53.6 62.9 31.9 1053 508 B L H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.960 109.8 44.0 -59.1 -50.0 57.3 62.0 31.7 1054 509 B W H X S+ 0 0 7 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.903 113.3 52.6 -63.1 -40.8 57.3 62.3 27.9 1055 510 B N H X S+ 0 0 78 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.929 113.7 42.0 -59.0 -48.4 55.4 65.6 28.2 1056 511 B K H <>S+ 0 0 60 -4,-2.7 5,-3.1 2,-0.2 -2,-0.2 0.923 116.5 47.9 -66.6 -46.7 57.9 67.0 30.7 1057 512 B L H ><5S+ 0 0 6 -4,-3.2 3,-1.4 1,-0.2 -2,-0.2 0.901 112.1 47.7 -62.0 -42.7 60.9 65.8 28.8 1058 513 B S H 3<5S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.720 113.0 50.0 -76.5 -19.8 59.8 67.0 25.4 1059 514 B S T 3<5S- 0 0 64 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.303 113.9-118.5 -91.6 1.7 58.9 70.4 26.9 1060 515 B K T < 5 + 0 0 127 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.806 64.0 148.3 62.0 29.9 62.4 70.6 28.6 1061 516 B E < - 0 0 100 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.2 -0.625 60.0 -90.5 -92.9 156.1 60.8 70.7 32.1 1062 517 B D + 0 0 125 -2,-0.2 4,-0.1 1,-0.1 3,-0.1 -0.491 45.8 171.4 -67.4 122.5 62.5 69.2 35.1 1063 518 B A > + 0 0 6 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 0.162 38.1 116.9-118.5 19.7 61.4 65.6 35.4 1064 519 B S H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.872 76.7 45.3 -55.2 -50.3 63.8 64.5 38.2 1065 520 B A H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 116.0 48.5 -66.8 -37.9 61.2 63.7 40.9 1066 521 B L H > S+ 0 0 18 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.878 107.8 53.2 -68.8 -43.1 59.1 61.8 38.3 1067 522 B I H X S+ 0 0 14 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.960 112.5 46.4 -53.9 -50.6 62.1 59.8 37.0 1068 523 B E H X S+ 0 0 150 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.936 110.9 52.4 -56.5 -50.1 62.8 58.8 40.6 1069 524 B E H X S+ 0 0 98 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.915 109.6 48.3 -54.3 -44.9 59.2 57.9 41.1 1070 525 B L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.864 106.5 55.8 -68.9 -35.5 59.1 55.7 38.0 1071 526 B Y H X S+ 0 0 62 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.936 107.7 51.3 -56.1 -48.7 62.3 53.9 39.1 1072 527 B G H X S+ 0 0 44 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.916 110.3 49.0 -47.8 -49.1 60.4 53.1 42.4 1073 528 B E H X S+ 0 0 59 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.908 112.5 45.9 -61.7 -45.3 57.5 51.7 40.3 1074 529 B F H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.868 111.9 50.9 -72.1 -36.9 59.6 49.5 38.2 1075 530 B A H X S+ 0 0 55 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.891 108.7 53.2 -64.3 -36.9 61.6 48.2 41.1 1076 531 B R H X S+ 0 0 64 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.822 104.9 54.5 -69.8 -33.5 58.4 47.4 42.9 1077 532 B M H X S+ 0 0 3 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.915 111.3 44.3 -62.4 -49.5 57.1 45.4 39.8 1078 533 B E H X S+ 0 0 58 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.935 115.6 48.5 -59.4 -47.8 60.2 43.2 39.9 1079 534 B E H X S+ 0 0 112 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.914 111.8 47.9 -60.9 -48.8 60.1 42.8 43.7 1080 535 B A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.928 113.2 48.4 -58.5 -45.4 56.3 41.9 43.8 1081 536 B C H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.915 110.3 51.0 -65.9 -45.4 56.8 39.3 41.0 1082 537 B N H X S+ 0 0 77 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.920 111.2 48.8 -53.6 -45.6 59.8 37.8 42.7 1083 538 B N H X S+ 0 0 54 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.893 110.3 50.8 -65.0 -38.7 57.8 37.5 45.9 1084 539 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.900 108.7 52.2 -62.9 -43.1 54.9 35.9 44.0 1085 540 B K H < S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 115.9 40.6 -58.0 -41.4 57.3 33.4 42.5 1086 541 B A H < S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.751 130.6 22.5 -79.8 -24.1 58.6 32.4 45.9 1087 542 B N H < S+ 0 0 94 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.579 83.4 111.3-129.9 -14.9 55.3 32.4 47.9 1088 543 B L S < S- 0 0 11 -4,-2.6 -75,-0.0 -5,-0.2 -4,-0.0 -0.382 77.4-102.8 -56.3 139.7 52.2 31.9 45.6 1089 544 B P >> - 0 0 74 0, 0.0 4,-2.9 0, 0.0 3,-1.2 -0.385 31.7-113.5 -60.1 149.4 50.6 28.5 46.2 1090 545 B E H 3> S+ 0 0 147 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.838 114.7 64.1 -54.1 -38.2 51.4 26.1 43.4 1091 546 B V H 34 S+ 0 0 65 2,-0.2 -111,-0.3 1,-0.2 -1,-0.3 0.826 115.0 30.9 -56.1 -36.0 47.7 26.1 42.3 1092 547 B A H X> S+ 0 0 2 -3,-1.2 3,-1.4 2,-0.1 4,-0.7 0.906 118.5 54.5 -86.1 -50.0 48.0 29.8 41.4 1093 548 B L H >X S+ 0 0 43 -4,-2.9 4,-1.5 1,-0.3 3,-1.2 0.866 99.4 61.1 -55.1 -43.0 51.7 29.8 40.4 1094 549 B E H 3< S+ 0 0 129 -4,-3.1 -1,-0.3 1,-0.2 4,-0.2 0.813 106.0 49.6 -57.0 -25.0 51.4 27.0 37.9 1095 550 B E H <4 S+ 0 0 26 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.689 123.7 24.2 -86.4 -18.5 48.9 29.2 35.9 1096 551 B C H S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 112.0 48.0 -71.1 -37.7 55.5 32.7 32.6 1099 554 B Q H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.845 108.9 54.7 -73.3 -31.8 53.7 36.0 32.9 1100 555 B L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.954 110.3 46.4 -58.9 -53.3 55.5 36.6 36.2 1101 556 B D H X S+ 0 0 79 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.840 110.5 53.6 -56.6 -40.0 58.8 36.2 34.4 1102 557 B E H X S+ 0 0 7 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.874 106.9 49.9 -68.0 -37.6 57.6 38.4 31.5 1103 558 B L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.861 109.3 52.7 -69.2 -31.8 56.7 41.3 33.8 1104 559 B I H X S+ 0 0 15 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.963 109.7 49.6 -61.9 -50.7 60.1 41.0 35.5 1105 560 B T H X S+ 0 0 26 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.930 113.8 45.5 -53.1 -48.7 61.7 41.2 32.0 1106 561 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.872 110.2 52.4 -65.2 -40.8 59.6 44.3 31.2 1107 562 B A H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.891 110.4 49.4 -61.1 -41.3 60.3 46.0 34.6 1108 563 B Q H X S+ 0 0 55 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.845 112.5 48.3 -66.1 -33.9 64.1 45.5 33.9 1109 564 B G H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.830 109.6 52.1 -69.5 -37.6 63.5 47.0 30.4 1110 565 B D H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.871 109.3 50.0 -65.6 -39.5 61.6 49.9 31.9 1111 566 B K H X S+ 0 0 97 -4,-1.9 4,-2.3 2,-0.2 3,-0.3 0.948 110.9 48.1 -64.7 -50.8 64.5 50.5 34.3 1112 567 B A H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.822 106.4 60.1 -57.8 -31.7 67.1 50.4 31.5 1113 568 B S H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.912 106.8 44.5 -63.0 -42.9 64.8 52.8 29.5 1114 569 B L H X S+ 0 0 0 -4,-1.6 4,-2.9 -3,-0.3 5,-0.2 0.899 108.2 57.4 -66.5 -41.5 65.1 55.4 32.3 1115 570 B D H X S+ 0 0 46 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.898 106.0 52.6 -53.5 -43.2 68.8 54.8 32.5 1116 571 B M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.913 110.3 45.7 -54.2 -52.8 68.8 55.8 28.7 1117 572 B I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.930 113.3 49.1 -58.9 -48.2 67.0 59.0 29.4 1118 573 B V H X S+ 0 0 41 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.907 108.8 53.2 -62.5 -42.8 69.2 59.9 32.4 1119 574 B A H <>S+ 0 0 5 -4,-2.7 5,-2.8 -5,-0.2 4,-0.3 0.909 109.5 49.3 -53.5 -45.9 72.3 59.2 30.3 1120 575 B Q H ><5S+ 0 0 15 -4,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.887 111.5 48.6 -64.0 -40.8 71.0 61.6 27.6 1121 576 B L H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.855 115.7 43.9 -65.5 -36.7 70.3 64.3 30.2 1122 577 B N T 3<5S- 0 0 115 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.473 111.2-126.2 -82.4 -2.5 73.8 63.7 31.6 1123 578 B E T < 5 + 0 0 170 -3,-0.7 2,-0.6 -4,-0.3 -3,-0.2 0.972 56.4 152.1 48.5 59.2 75.2 63.7 28.0 1124 579 B D >< - 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0 0 4 -49,-0.1 2,-0.4 -198,-0.0 -196,-0.2 -0.295 62.1-163.7 -65.7 142.1 53.5 35.1 27.7 1148 603 B V + 0 0 24 -198,-2.2 -196,-0.5 -199,-0.1 2,-0.3 -0.995 18.4 151.0-132.0 136.0 51.9 38.5 27.2 1149 604 B I + 0 0 0 -2,-0.4 -122,-0.2 -198,-0.1 6,-0.2 -0.972 60.2 1.7-158.1 146.6 51.4 41.3 29.8 1150 605 B S > > + 0 0 0 -124,-2.0 5,-2.4 -2,-0.3 3,-1.4 0.777 64.5 166.4 51.3 39.9 51.2 45.1 30.0 1151 606 B E T 3 >S+ 0 0 40 1,-0.3 5,-1.8 -122,-0.2 -1,-0.1 0.912 75.6 38.5 -53.0 -47.9 51.5 45.6 26.2 1152 607 B K T 3 5S+ 0 0 99 3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.420 130.0 27.9 -85.9 -0.3 50.4 49.3 26.2 1153 608 B V T <>5S+ 0 0 3 -3,-1.4 4,-2.1 -127,-0.1 5,-0.1 0.592 127.5 20.0-124.9 -83.1 52.2 50.1 29.4 1154 609 B A H >5S+ 0 0 0 -4,-0.2 4,-0.6 2,-0.2 -3,-0.2 0.862 134.1 39.7 -68.5 -36.2 55.3 48.3 30.6 1155 610 B Q H >>< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.894 110.3 52.7 -74.8 -38.1 62.0 55.4 25.2 1162 617 B L H 3< S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.791 113.2 44.0 -65.9 -32.5 64.0 53.8 22.4 1163 618 B S T 3< S+ 0 0 17 -4,-1.6 2,-0.4 -5,-0.2 -1,-0.2 0.454 93.4 99.5 -93.7 -1.2 62.4 56.1 19.8 1164 619 B F < - 0 0 1 -3,-0.8 2,-0.6 -4,-0.4 3,-0.1 -0.703 55.4-163.8 -85.2 133.9 62.8 59.2 22.0 1165 620 B D > + 0 0 47 -2,-0.4 3,-1.2 1,-0.1 -3,-0.1 -0.839 13.5 174.1-123.9 92.5 65.8 61.4 21.1 1166 621 B L G > S+ 0 0 19 -2,-0.6 3,-1.9 1,-0.2 -1,-0.1 0.780 71.7 73.2 -66.4 -29.9 66.4 63.7 24.0 1167 622 B T G 3 S+ 0 0 95 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.658 97.3 50.0 -62.6 -16.3 69.6 65.1 22.4 1168 623 B L G < 0 0 37 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.178 360.0 360.0-110.2 14.7 67.4 67.0 19.8 1169 624 B I < 0 0 62 -3,-1.9 -2,-0.2 -112,-0.0 -3,-0.1 0.858 360.0 360.0 -90.4 360.0 65.1 68.6 22.3