==== 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 SUGAR BINDING PROTEIN 25-MAY-07 2Q1U . COMPND 2 MOLECULE: PUTATIVE NUCLEOTIDE SUGAR EPIMERASE/ DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR N.J.HARMER,J.D.KING,C.M.PALMER,D.MASKELL,T.L.BLUNDELL . 671 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 0 0.0 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 . 65 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 0 0 6 2 2 2 4 0 3 1 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 8 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 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 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 6 A N > 0 0 70 0, 0.0 3,-3.5 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -3.0 -9.2 24.9 9.3 2 7 A A G > + 0 0 38 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.740 360.0 70.2 -51.6 -24.2 -9.0 22.2 12.0 3 8 A S G > S+ 0 0 94 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.650 74.5 85.2 -68.6 -13.4 -11.5 20.4 9.7 4 9 A K G < S+ 0 0 102 -3,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.765 85.8 56.8 -53.5 -24.9 -8.4 20.0 7.4 5 10 A L G X S+ 0 0 0 -3,-1.5 3,-1.9 -4,-0.2 28,-0.3 0.588 77.9 121.6 -87.8 -9.2 -7.7 16.9 9.5 6 11 A A T < S+ 0 0 48 -3,-1.7 26,-0.3 1,-0.3 25,-0.2 -0.291 86.0 2.2 -54.3 133.7 -11.1 15.3 8.8 7 12 A N T 3 S+ 0 0 73 24,-2.9 -1,-0.3 1,-0.2 25,-0.2 0.658 103.8 130.5 61.0 21.4 -10.7 11.8 7.2 8 13 A T < - 0 0 13 -3,-1.9 25,-1.8 67,-0.0 26,-1.6 -0.578 61.3-116.7 -97.9 166.1 -6.9 12.0 7.4 9 14 A N E -a 34 0A 17 24,-0.2 67,-2.3 -2,-0.2 68,-1.6 -0.902 37.4-173.7-102.3 128.1 -4.3 9.5 8.7 10 15 A V E -ab 35 77A 1 24,-2.7 26,-2.9 -2,-0.5 2,-0.4 -0.936 18.0-154.7-125.1 142.2 -2.3 10.8 11.6 11 16 A M E -ab 36 78A 0 66,-2.2 68,-3.0 -2,-0.4 2,-0.5 -0.965 6.1-167.0-110.5 138.3 0.6 9.5 13.6 12 17 A V E > -ab 37 79A 0 24,-2.8 26,-1.9 -2,-0.4 3,-1.5 -0.915 6.1-161.1-124.8 96.4 1.1 10.6 17.2 13 18 A V E 3 S+ab 38 80A 2 66,-2.7 68,-2.5 -2,-0.5 69,-0.2 -0.701 88.9 17.9 -73.1 128.5 4.6 9.7 18.4 14 19 A G T > S+ 0 0 10 24,-3.2 3,-1.6 -2,-0.5 6,-0.4 0.681 86.7 146.5 77.7 20.3 4.4 9.8 22.2 15 20 A G T < + 0 0 1 -3,-1.5 9,-0.2 23,-0.5 24,-0.1 0.462 59.1 63.0 -72.9 -7.1 0.6 9.6 21.8 16 21 A A T 3 S+ 0 0 0 22,-0.2 29,-0.6 4,-0.1 -1,-0.3 0.545 92.4 88.6 -87.5 -9.1 0.0 7.6 25.1 17 22 A G S <> S- 0 0 12 -3,-1.6 4,-2.6 27,-0.1 5,-0.3 0.153 96.6 -81.7 -83.3-167.5 1.4 10.5 27.1 18 23 A F H > S+ 0 0 22 25,-0.2 4,-1.4 2,-0.2 5,-0.1 0.992 126.5 26.2 -63.8 -65.8 -0.1 13.5 28.8 19 24 A V H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.934 123.6 55.9 -62.6 -40.7 -0.3 16.0 25.9 20 25 A G H > S+ 0 0 3 -6,-0.4 4,-2.9 1,-0.2 -2,-0.2 0.876 103.8 49.9 -60.1 -46.2 -0.5 13.1 23.4 21 26 A S H X S+ 0 0 13 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.892 113.1 48.6 -62.8 -38.1 -3.5 11.3 24.8 22 27 A N H X S+ 0 0 21 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.859 111.0 49.8 -69.0 -38.4 -5.4 14.6 24.8 23 28 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.906 109.6 51.7 -62.5 -45.6 -4.4 15.3 21.2 24 29 A V H X S+ 0 0 2 -4,-2.9 4,-2.3 -9,-0.2 -2,-0.2 0.918 108.7 51.2 -58.5 -42.9 -5.6 11.8 20.3 25 30 A K H X S+ 0 0 64 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.913 112.8 45.8 -58.7 -43.3 -9.0 12.5 21.9 26 31 A R H X S+ 0 0 78 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.910 109.3 54.3 -73.5 -38.9 -9.3 15.8 20.0 27 32 A L H <>S+ 0 0 0 -4,-2.9 5,-1.6 1,-0.2 4,-0.3 0.932 108.3 49.6 -56.5 -47.4 -8.3 14.2 16.7 28 33 A L H ><5S+ 0 0 40 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.900 108.4 54.2 -59.2 -39.8 -11.0 11.5 17.0 29 34 A E H 3<5S+ 0 0 127 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.845 105.4 53.7 -58.5 -35.4 -13.5 14.3 17.8 30 35 A L T 3<5S- 0 0 36 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.429 119.7-111.7 -83.5 -3.1 -12.4 16.0 14.5 31 36 A G T < 5 + 0 0 42 -3,-1.3 -24,-2.9 -4,-0.3 -3,-0.2 0.833 47.4 177.5 77.3 36.6 -13.2 12.8 12.6 32 37 A V < - 0 0 12 -5,-1.6 -23,-0.2 -26,-0.3 -26,-0.1 -0.287 32.8-129.5 -61.4 153.0 -9.7 11.7 11.5 33 38 A N S S- 0 0 92 -25,-1.8 2,-0.3 -28,-0.3 -24,-0.2 0.929 81.9 -3.2 -69.4 -46.9 -9.7 8.4 9.6 34 39 A Q E -a 9 0A 49 -26,-1.6 -24,-2.7 2,-0.0 2,-0.4 -0.996 53.5-155.6-149.4 139.7 -6.9 6.8 11.6 35 40 A V E -ac 10 55A 0 19,-4.6 21,-3.0 -2,-0.3 2,-0.8 -0.993 9.6-162.4-114.6 122.6 -4.5 7.6 14.6 36 41 A H E -ac 11 56A 6 -26,-2.9 -24,-2.8 -2,-0.4 2,-0.5 -0.910 10.4-162.6-100.6 107.6 -1.3 5.5 14.8 37 42 A V E -ac 12 57A 1 19,-3.3 21,-3.1 -2,-0.8 2,-0.6 -0.830 6.1-170.5 -90.4 126.5 0.0 6.0 18.3 38 43 A V E +ac 13 58A 2 -26,-1.9 -24,-3.2 -2,-0.5 -23,-0.5 -0.973 25.6 144.4-115.6 117.0 3.7 5.0 18.7 39 44 A D - 0 0 13 19,-2.1 22,-0.1 -2,-0.6 21,-0.1 -0.942 43.4-157.8-158.4 128.9 4.6 5.0 22.4 40 45 A N - 0 0 35 -2,-0.3 21,-0.1 19,-0.2 19,-0.1 0.392 44.0-125.0 -87.8 1.4 7.0 2.8 24.5 41 46 A L + 0 0 20 19,-0.1 3,-0.4 1,-0.1 143,-0.3 0.738 63.2 144.1 59.5 27.5 5.0 3.8 27.7 42 47 A L S S+ 0 0 21 1,-0.2 142,-2.3 141,-0.2 -1,-0.1 0.873 87.6 7.0 -62.2 -36.6 8.3 5.0 29.2 43 48 A S S S+ 0 0 20 140,-0.3 2,-0.3 40,-0.1 -1,-0.2 -0.030 124.2 78.6-133.5 31.4 6.4 7.8 31.0 44 49 A A - 0 0 5 -3,-0.4 2,-0.4 -27,-0.1 139,-0.3 -0.884 68.2-124.8-138.9 166.7 2.8 6.9 30.2 45 50 A E > - 0 0 32 -29,-0.6 3,-2.3 -2,-0.3 -4,-0.1 -0.942 19.1-133.2-117.8 137.3 0.0 4.5 31.1 46 51 A K G > S+ 0 0 79 -2,-0.4 3,-2.3 1,-0.3 -1,-0.1 0.756 103.7 73.6 -61.7 -24.7 -1.7 2.2 28.6 47 52 A I G 3 S+ 0 0 108 1,-0.3 -1,-0.3 3,-0.0 -31,-0.0 0.655 87.8 63.5 -62.1 -14.9 -5.1 3.4 30.1 48 53 A N G < S+ 0 0 29 -3,-2.3 -1,-0.3 -32,-0.1 -2,-0.2 0.381 88.1 79.5 -88.7 2.7 -4.4 6.6 28.2 49 54 A V S < S- 0 0 22 -3,-2.3 -33,-0.1 -4,-0.1 8,-0.1 -0.946 82.3-132.9-109.5 114.9 -4.5 4.8 24.9 50 55 A P - 0 0 54 0, 0.0 2,-1.0 0, 0.0 -2,-0.1 -0.328 7.3-131.1 -69.4 148.7 -8.1 4.3 23.7 51 56 A D + 0 0 177 -2,-0.0 5,-0.1 3,-0.0 3,-0.0 -0.874 58.6 144.7-103.5 89.7 -9.3 0.9 22.4 52 57 A H > - 0 0 70 -2,-1.0 3,-1.1 3,-0.4 0, 0.0 -0.993 63.3-121.0-138.6 145.9 -10.9 2.4 19.4 53 58 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.750 114.3 47.7 -71.0 -23.6 -11.3 1.4 15.7 54 59 A A T 3 S+ 0 0 16 -20,-0.1 -19,-4.6 -3,-0.0 2,-0.6 0.447 98.7 85.8 -88.7 -6.6 -9.4 4.5 14.4 55 60 A V E < -c 35 0A 20 -3,-1.1 2,-0.5 -21,-0.2 -3,-0.4 -0.891 53.9-175.3-107.2 120.7 -6.6 4.0 16.9 56 61 A R E -c 36 0A 121 -21,-3.0 -19,-3.3 -2,-0.6 2,-0.5 -0.929 13.9-156.7-103.7 131.3 -3.7 1.7 16.1 57 62 A F E -c 37 0A 61 -2,-0.5 2,-0.7 -21,-0.2 -19,-0.2 -0.952 12.9-172.7-119.5 120.5 -1.2 1.3 19.0 58 63 A S E -c 38 0A 15 -21,-3.1 -19,-2.1 -2,-0.5 2,-1.8 -0.930 12.5-156.7-106.4 110.3 2.4 0.3 18.5 59 64 A E + 0 0 114 -2,-0.7 2,-0.3 -21,-0.2 -19,-0.2 -0.564 58.0 98.3 -88.7 75.2 3.9 -0.2 21.9 60 65 A T S S- 0 0 44 -2,-1.8 2,-0.2 -21,-0.1 -19,-0.1 -0.981 80.1 -88.8-155.8 154.7 7.5 0.4 20.8 61 66 A S > - 0 0 24 -2,-0.3 3,-1.9 -21,-0.1 6,-0.2 -0.528 29.3-130.5 -67.4 144.5 10.1 3.1 20.7 62 67 A I T 3 S+ 0 0 6 1,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.671 108.6 64.4 -66.5 -16.4 10.1 5.3 17.6 63 68 A T T 3 S+ 0 0 8 36,-0.1 2,-0.4 4,-0.1 -1,-0.3 0.486 72.3 118.2 -79.5 -3.6 13.9 4.6 17.5 64 69 A D <> - 0 0 73 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 -0.513 59.6-148.6 -67.9 122.2 13.2 0.9 16.8 65 70 A D H > S+ 0 0 109 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.887 95.5 50.2 -59.3 -43.3 14.7 0.1 13.3 66 71 A A H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 111.4 49.0 -60.8 -44.6 12.1 -2.5 12.5 67 72 A L H > S+ 0 0 13 2,-0.2 4,-1.0 1,-0.2 3,-0.4 0.970 113.0 46.9 -60.5 -49.6 9.2 -0.2 13.4 68 73 A L H >< S+ 0 0 11 -4,-2.6 3,-1.0 1,-0.3 -2,-0.2 0.922 111.6 49.9 -61.1 -45.2 10.6 2.6 11.3 69 74 A A H 3< S+ 0 0 72 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.824 107.1 57.3 -58.6 -33.8 11.3 0.3 8.3 70 75 A S H 3< S+ 0 0 64 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.682 82.1 109.3 -73.8 -19.9 7.6 -1.0 8.6 71 76 A L << - 0 0 3 -3,-1.0 2,-0.3 -4,-1.0 -3,-0.0 -0.350 56.8-153.4 -62.7 136.2 6.2 2.5 8.3 72 77 A Q - 0 0 93 -2,-0.1 2,-2.2 43,-0.0 3,-0.2 -0.741 29.7-104.8-107.7 159.8 4.3 3.2 5.0 73 78 A D S S+ 0 0 67 -2,-0.3 43,-0.1 1,-0.2 -2,-0.0 -0.480 87.0 111.6 -81.6 68.8 3.8 6.6 3.2 74 79 A E + 0 0 71 -2,-2.2 2,-0.5 42,-0.0 -1,-0.2 0.111 45.7 104.3-128.3 11.2 0.1 6.6 4.3 75 80 A Y - 0 0 7 -3,-0.2 -65,-0.2 1,-0.1 3,-0.1 -0.883 41.5-175.9-104.7 133.7 0.2 9.5 6.8 76 81 A D S S+ 0 0 11 -67,-2.3 43,-3.1 -2,-0.5 44,-1.2 0.799 79.3 19.3 -84.3 -33.7 -1.1 13.0 6.2 77 82 A Y E -bd 10 120A 13 -68,-1.6 -66,-2.2 41,-0.2 2,-0.4 -0.994 60.5-163.8-140.5 142.8 0.1 14.4 9.5 78 83 A V E -bd 11 121A 0 42,-1.9 44,-3.0 -2,-0.4 2,-0.5 -0.999 3.5-163.5-127.1 133.2 2.7 13.4 12.1 79 84 A F E -bd 12 122A 0 -68,-3.0 -66,-2.7 -2,-0.4 2,-0.8 -0.983 7.4-159.9-113.3 116.8 2.8 14.8 15.6 80 85 A H E +bd 13 123A 0 42,-3.3 44,-2.1 -2,-0.5 -66,-0.1 -0.868 33.2 144.6-102.6 100.6 6.1 14.2 17.3 81 86 A L + 0 0 17 -68,-2.5 -67,-0.2 -2,-0.8 -1,-0.1 0.348 25.5 126.8-117.2 -1.7 5.5 14.5 21.1 82 87 A A + 0 0 17 -69,-0.2 2,-0.3 -44,-0.1 42,-0.1 -0.282 28.8 150.5 -63.1 146.0 7.9 11.8 22.5 83 88 A T - 0 0 32 21,-0.0 2,-0.7 2,-0.0 18,-0.2 -0.960 53.0-100.7-160.2 173.5 10.3 12.9 25.1 84 89 A Y - 0 0 13 -2,-0.3 2,-0.5 59,-0.1 6,-0.2 -0.924 59.5-104.6-102.3 108.5 12.3 11.7 28.1 85 90 A H - 0 0 33 -2,-0.7 101,-0.1 4,-0.1 -2,-0.0 -0.620 69.4 -46.2 -85.5 117.9 10.2 13.0 31.0 86 91 A G > - 0 0 9 -2,-0.5 4,-2.7 3,-0.1 5,-0.2 0.477 54.7 -64.9-143.0-126.6 11.8 15.4 32.1 87 92 A N H > S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 56,-0.3 0.949 118.9 40.9 -53.4 -57.1 14.4 17.8 33.4 88 93 A Q H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.941 115.4 50.8 -61.6 -45.2 15.3 16.0 36.6 89 94 A S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 109.5 52.5 -56.1 -43.2 15.2 12.5 34.9 90 95 A S H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 7,-0.2 0.835 106.4 51.1 -67.4 -35.8 17.5 13.7 32.2 91 96 A I H < S+ 0 0 48 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.891 109.4 52.9 -62.5 -39.9 20.1 15.1 34.6 92 97 A H H < S+ 0 0 103 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.861 130.0 11.5 -65.9 -38.9 20.1 11.7 36.3 93 98 A D X + 0 0 61 -4,-2.0 4,-2.3 -5,-0.1 -1,-0.3 -0.721 61.3 178.1-144.0 86.6 20.7 9.7 33.1 94 99 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.739 86.2 56.2 -59.9 -24.2 21.8 11.9 30.0 95 100 A L H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.895 106.8 47.7 -80.3 -35.2 22.1 8.6 27.9 96 101 A A H > S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.938 113.5 49.6 -64.8 -41.2 18.5 7.6 28.7 97 102 A D H X>S+ 0 0 2 -4,-2.3 4,-1.0 -7,-0.2 5,-0.5 0.949 108.6 52.2 -59.5 -48.3 17.5 11.1 27.8 98 103 A H H >X>S+ 0 0 8 -4,-2.4 5,-2.8 1,-0.2 4,-1.9 0.917 109.9 48.7 -57.2 -43.9 19.5 11.0 24.5 99 104 A E H 3<5S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.869 122.9 31.2 -63.9 -37.2 17.8 7.8 23.4 100 105 A N H 3<5S+ 0 0 23 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.277 132.4 29.2-108.1 7.6 14.3 8.9 24.1 101 106 A N H <<5S+ 0 0 1 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.2 0.592 127.9 23.3-142.2 -30.3 14.6 12.6 23.4 102 107 A T T X S+ 0 0 3 -6,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.961 104.9 42.1 -46.6 -57.7 13.9 9.9 18.5 105 110 A T H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.929 115.5 48.9 -63.2 -47.9 13.6 13.1 16.4 106 111 A L H X S+ 0 0 5 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.933 115.0 43.0 -58.9 -50.8 16.5 12.3 14.2 107 112 A K H X S+ 0 0 30 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.893 114.1 51.7 -66.4 -34.9 15.5 8.7 13.4 108 113 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 3,-0.5 0.975 113.4 44.4 -63.0 -52.3 11.8 9.7 12.9 109 114 A Y H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.846 108.6 57.2 -61.8 -38.0 12.8 12.5 10.4 110 115 A E H < S+ 0 0 29 -4,-2.4 -1,-0.2 -5,-0.2 4,-0.2 0.857 113.0 40.8 -62.8 -36.3 15.3 10.3 8.6 111 116 A R H >< S+ 0 0 73 -4,-1.6 3,-0.9 -3,-0.5 -2,-0.2 0.918 116.4 49.2 -74.2 -44.7 12.5 7.8 7.9 112 117 A L H >< S+ 0 0 0 -4,-2.7 3,-2.6 1,-0.2 -2,-0.2 0.663 85.3 89.5 -67.6 -17.1 9.9 10.5 7.1 113 118 A K T 3< S+ 0 0 31 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.720 92.3 41.9 -61.1 -27.9 12.1 12.5 4.7 114 119 A H T < S+ 0 0 97 -3,-0.9 2,-0.6 -4,-0.2 -1,-0.3 0.183 84.3 115.0 -99.0 9.1 10.9 10.4 1.6 115 120 A F < - 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0 0 22 -28,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.749 31.8-143.0 -86.3 -28.8 45.5 32.6 11.4 587 268 B G + 0 0 49 38,-0.2 2,-0.4 1,-0.2 -27,-0.1 0.670 68.1 108.0 72.7 13.5 43.8 35.9 11.0 588 269 B K - 0 0 101 -29,-0.3 2,-0.4 2,-0.0 -29,-0.2 -0.988 57.5-150.2-130.0 125.9 45.0 35.9 7.4 589 270 B E - 0 0 68 -2,-0.4 2,-0.4 -31,-0.2 -31,-0.2 -0.777 10.5-174.2 -99.7 140.1 42.8 35.3 4.3 590 271 B T E -Q 557 0G 17 -33,-2.5 -33,-2.0 -2,-0.4 2,-0.1 -0.998 23.5-128.3-126.6 131.6 43.9 33.7 1.0 591 272 B S E > -Q 556 0G 19 -2,-0.4 4,-2.2 -35,-0.3 -35,-0.3 -0.445 22.7-120.3 -71.0 154.1 41.7 33.5 -2.1 592 273 B I H > S+ 0 0 22 -37,-2.5 4,-2.8 -39,-0.3 5,-0.2 0.863 115.6 58.3 -64.2 -35.6 41.4 30.0 -3.7 593 274 B A H > S+ 0 0 3 -40,-2.1 4,-2.6 -38,-0.3 -1,-0.2 0.935 108.6 44.4 -57.7 -45.7 42.9 31.5 -6.9 594 275 B D H > S+ 0 0 63 -41,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.860 110.7 54.6 -68.4 -34.9 46.0 32.5 -4.9 595 276 B L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.949 111.2 45.1 -58.0 -50.2 46.1 29.1 -3.2 596 277 B A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.922 112.6 51.5 -60.0 -45.9 46.1 27.5 -6.7 597 278 B T H X S+ 0 0 50 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.901 111.6 46.6 -58.2 -44.2 48.8 29.9 -8.0 598 279 B K H X S+ 0 0 57 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.918 112.6 49.0 -66.5 -44.5 51.1 29.2 -5.0 599 280 B I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 6,-0.3 0.924 113.3 47.4 -64.2 -45.0 50.7 25.4 -5.3 600 281 B N H X>S+ 0 0 13 -4,-2.8 4,-1.6 2,-0.2 5,-1.4 0.903 111.3 50.9 -59.3 -43.5 51.4 25.6 -9.0 601 282 B E H <5S+ 0 0 99 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.914 114.2 44.2 -61.9 -44.6 54.5 27.8 -8.5 602 283 B I H <5S+ 0 0 41 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.911 120.2 39.4 -68.5 -42.3 55.9 25.5 -5.8 603 284 B T H <5S- 0 0 36 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.606 104.6-123.1 -83.8 -15.5 55.2 22.2 -7.8 604 285 B G T <5 + 0 0 61 -4,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.776 48.8 165.9 72.4 27.2 56.1 23.6 -11.2 605 286 B N < - 0 0 13 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.1 -0.667 18.7-167.9 -75.9 107.6 52.7 22.7 -12.6 606 287 B N + 0 0 103 -2,-0.9 -1,-0.1 -3,-0.1 2,-0.1 0.066 42.1 119.6 -90.3 26.9 52.6 24.6 -15.8 607 288 B T - 0 0 46 -62,-0.2 -62,-0.1 1,-0.1 -60,-0.0 -0.398 67.2 -85.3 -93.5 170.2 48.9 24.2 -16.6 608 289 B E - 0 0 73 -2,-0.1 -61,-0.6 2,-0.0 2,-0.3 -0.190 31.7-160.0 -75.1 164.0 46.2 26.8 -17.0 609 290 B L - 0 0 40 -63,-0.1 2,-1.5 -61,-0.1 -1,-0.0 -0.940 13.5-144.2-145.0 112.8 44.2 28.4 -14.2 610 291 B D + 0 0 132 -2,-0.3 -58,-0.3 -63,-0.3 2,-0.2 -0.571 35.3 169.0 -78.5 81.8 40.9 30.1 -14.8 611 292 B R - 0 0 116 -2,-1.5 -58,-0.2 -58,-0.1 -59,-0.1 -0.541 15.8-166.9 -91.5 154.9 41.1 33.0 -12.3 612 293 B L - 0 0 112 -60,-2.1 2,-0.2 -2,-0.2 -19,-0.1 -0.959 32.1 -97.3-132.6 155.5 38.8 36.0 -12.0 613 294 B P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 -59,-0.1 -0.509 40.1-115.4 -73.8 139.1 39.2 39.2 -10.1 614 295 B K - 0 0 69 -2,-0.2 -62,-0.0 -61,-0.1 -59,-0.0 -0.587 32.5-163.0 -73.5 131.6 37.5 39.4 -6.7 615 296 B R > - 0 0 128 -2,-0.3 3,-2.2 1,-0.0 4,-0.5 -0.741 33.8-102.7-111.9 161.6 34.7 42.0 -6.5 616 297 B P T 3 S+ 0 0 105 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.757 120.2 55.0 -53.5 -29.4 33.0 43.4 -3.3 617 298 B W T 3 S+ 0 0 177 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.511 92.4 76.7 -85.7 -2.2 29.9 41.2 -3.7 618 299 B D S < S+ 0 0 60 -3,-2.2 -1,-0.2 1,-0.2 -64,-0.0 0.795 113.0 11.6 -80.5 -31.0 32.0 38.0 -3.8 619 300 B N S > S+ 0 0 43 -4,-0.5 3,-1.8 -3,-0.4 -1,-0.2 0.169 87.7 159.0-128.4 22.8 32.8 37.5 -0.1 620 301 B S T 3 + 0 0 87 1,-0.3 3,-0.1 -4,-0.2 -3,-0.1 -0.173 70.0 0.2 -63.8 128.3 30.5 40.1 1.4 621 302 B G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.293 88.2 141.6 79.7 -12.9 29.7 39.6 5.0 622 303 B K < - 0 0 75 -3,-1.8 2,-0.4 1,-0.0 -1,-0.3 -0.466 38.7-154.7 -60.1 129.0 31.8 36.5 5.3 623 304 B R - 0 0 93 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.920 9.2-155.0-115.9 135.4 33.4 36.7 8.7 624 305 B F - 0 0 67 -2,-0.4 2,-0.2 -67,-0.1 -39,-0.0 -0.782 33.0 -98.3-102.6 152.4 36.7 35.1 9.9 625 306 B G - 0 0 24 -2,-0.3 -38,-0.2 -67,-0.1 -1,-0.0 -0.484 33.3-122.7 -73.0 135.3 37.4 34.3 13.5 626 307 B S - 0 0 37 -2,-0.2 3,-0.4 1,-0.1 -43,-0.3 -0.655 12.8-158.2 -76.3 130.3 39.5 36.8 15.5 627 308 B P > + 0 0 21 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.312 67.8 100.6 -87.1 9.7 42.7 35.2 17.0 628 309 B E H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.866 73.3 54.1 -68.5 -38.5 43.0 37.9 19.7 629 310 B K H > S+ 0 0 40 -3,-0.4 4,-2.9 1,-0.2 5,-0.4 0.935 110.8 46.5 -61.4 -45.8 41.5 36.1 22.7 630 311 B A H > S+ 0 0 1 -47,-0.4 6,-2.0 -4,-0.2 4,-1.5 0.831 113.8 50.1 -64.5 -35.3 43.9 33.1 22.3 631 312 B R H X S+ 0 0 114 -4,-1.6 4,-1.1 4,-0.3 -2,-0.2 0.947 116.2 39.8 -65.2 -51.2 46.8 35.5 21.9 632 313 B R H < S+ 0 0 174 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.940 127.3 30.8 -66.2 -49.2 45.9 37.6 25.0 633 314 B E H < S+ 0 0 84 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.833 135.3 22.4 -83.3 -35.2 44.9 34.7 27.3 634 315 B L H < S- 0 0 18 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.2 0.433 93.7-123.5-112.7 -5.8 47.1 31.8 26.2 635 316 B G < + 0 0 64 -4,-1.1 2,-0.4 -5,-0.3 -4,-0.3 0.725 63.1 146.5 64.0 23.1 49.9 33.6 24.4 636 317 B F + 0 0 19 -6,-2.0 2,-0.3 -9,-0.1 -1,-0.2 -0.767 20.3 166.1 -96.1 131.8 49.1 31.6 21.3 637 318 B S - 0 0 32 -2,-0.4 2,-1.0 -3,-0.1 -51,-0.1 -0.985 34.6-131.2-139.1 144.5 49.5 32.8 17.7 638 319 B A + 0 0 13 -53,-0.6 -74,-0.1 -2,-0.3 -2,-0.0 -0.778 36.2 164.8 -92.5 97.5 49.5 30.9 14.4 639 320 B D + 0 0 122 -2,-1.0 2,-0.7 2,-0.1 -1,-0.1 0.398 30.6 113.6-101.7 -2.4 52.6 32.1 12.7 640 321 B V - 0 0 49 -79,-0.1 -79,-0.4 4,-0.1 -76,-0.1 -0.643 63.4-136.2 -72.0 114.9 53.2 29.6 9.8 641 322 B S > - 0 0 46 -2,-0.7 4,-2.7 1,-0.1 5,-0.3 -0.222 17.7-111.8 -66.0 157.6 52.6 31.5 6.6 642 323 B I H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 117.9 52.8 -55.0 -42.7 50.7 30.1 3.7 643 324 B D H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 113.3 41.4 -60.0 -48.1 53.9 29.9 1.6 644 325 B D H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 116.3 48.3 -68.9 -43.1 55.9 28.0 4.2 645 326 B G H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.896 110.6 51.5 -65.3 -40.6 53.0 25.6 5.2 646 327 B L H X S+ 0 0 0 -4,-2.3 4,-3.4 -5,-0.3 5,-0.3 0.934 108.8 51.7 -64.1 -41.9 52.3 24.9 1.5 647 328 B R H X S+ 0 0 150 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.943 112.4 45.0 -55.9 -51.1 56.0 24.0 1.0 648 329 B K H X S+ 0 0 63 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.888 115.5 48.2 -60.7 -42.2 56.1 21.6 3.9 649 330 B T H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.929 111.6 48.5 -66.6 -45.3 52.8 20.1 2.8 650 331 B I H X S+ 0 0 12 -4,-3.4 4,-2.8 2,-0.2 5,-0.2 0.902 110.9 51.9 -60.9 -41.3 53.9 19.7 -0.8 651 332 B E H X S+ 0 0 62 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.934 111.2 46.3 -61.0 -46.6 57.2 18.1 0.4 652 333 B W H X S+ 0 0 54 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.904 113.7 49.1 -61.3 -44.0 55.3 15.5 2.6 653 334 B T H >< S+ 0 0 10 -4,-2.4 3,-0.6 2,-0.2 -2,-0.2 0.936 111.9 47.2 -62.7 -49.6 52.8 14.8 -0.3 654 335 B K H >< S+ 0 0 57 -4,-2.8 3,-1.3 1,-0.2 4,-0.3 0.932 111.6 52.8 -57.0 -46.5 55.6 14.3 -2.9 655 336 B A H 3< S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.747 121.5 30.8 -59.2 -28.1 57.5 12.0 -0.3 656 337 B N T S+ 0 0 37 -3,-1.3 4,-2.6 1,-0.2 5,-0.2 0.887 73.2 53.0 -60.1 -41.8 52.7 10.1 -3.2 658 339 B A H > S+ 0 0 82 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.926 113.2 42.7 -57.7 -47.3 52.8 6.3 -3.9 659 340 B V H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 111.8 54.1 -71.5 -38.0 51.1 5.4 -0.6 660 341 B I H X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.932 109.0 49.9 -57.5 -46.8 48.6 8.2 -0.9 661 342 B E H X S+ 0 0 58 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.894 108.6 51.5 -61.7 -39.5 47.6 6.9 -4.4 662 343 B Q H X S+ 0 0 89 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.884 111.9 47.7 -62.9 -38.2 47.2 3.3 -3.1 663 344 B I H >< S+ 0 0 12 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.951 112.8 48.1 -69.9 -47.5 44.9 4.7 -0.4 664 345 B M H >< S+ 0 0 17 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.918 105.2 61.1 -51.8 -46.4 42.9 6.8 -2.9 665 346 B R H >< S+ 0 0 45 -4,-2.7 3,-1.7 1,-0.3 4,-0.3 0.678 85.0 74.0 -64.1 -23.0 42.6 3.8 -5.3 666 347 B K T << S+ 0 0 109 -3,-0.9 3,-0.3 -4,-0.8 -1,-0.3 0.803 95.9 53.3 -62.6 -21.5 40.7 1.6 -2.8 667 348 B H T <> S+ 0 0 8 -3,-1.9 4,-2.7 -4,-0.4 -1,-0.3 0.329 75.9 107.6 -94.7 7.8 37.6 3.8 -3.5 668 349 B D H <> S+ 0 0 98 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.892 80.0 45.3 -50.4 -51.8 37.7 3.4 -7.3 669 350 B S H > S+ 0 0 100 -3,-0.3 4,-1.4 -4,-0.3 -1,-0.2 0.941 115.1 47.8 -59.6 -47.9 34.6 1.1 -7.5 670 351 B A H > S+ 0 0 24 -4,-0.3 4,-1.1 1,-0.2 -2,-0.2 0.874 112.3 49.8 -62.3 -40.6 32.6 3.3 -5.2 671 352 B L H < S+ 0 0 53 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.890 107.7 54.6 -61.7 -42.6 33.6 6.5 -7.1 672 353 B A H < S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.809 114.4 39.1 -64.8 -32.8 32.7 4.9 -10.4 673 354 B T H < 0 0 121 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.612 360.0 360.0 -94.0 -13.8 29.1 4.1 -9.3 674 355 B Y < 0 0 153 -4,-1.1 -149,-0.1 -3,-0.3 -3,-0.1 -0.062 360.0 360.0 -47.1 360.0 28.4 7.3 -7.2