==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-OCT-04 1XN1 . COMPND 2 MOLECULE: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA ABORTUS; . AUTHOR S.KLINKE,V.ZYLBERMAN,D.R.VEGA,B.G.GUIMARAES,B.C.BRADEN,F.A.G . 1474 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1278 86.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 226 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.4 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 144 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 695 47.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.3 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 0 0 0 1 5 3 1 0 0 0 0 0 12 8 0 0 0 0 0 0 0 0 0 0 10 RESIDUES PER ALPHA HELIX . 0 0 0 0 5 15 4 6 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 . 10 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 10 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 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 11 A T 0 0 131 0, 0.0 2,-0.4 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0-148.6 102.5 166.2 109.7 2 12 A S + 0 0 85 34,-0.1 2,-0.3 32,-0.0 34,-0.2 -0.883 360.0 139.7-114.9 139.7 105.4 165.4 112.0 3 13 A F - 0 0 43 -2,-0.4 34,-1.8 32,-0.3 2,-0.4 -0.930 43.3-102.5-157.6 171.7 105.5 164.0 115.5 4 14 A K E -a 37 0A 57 57,-0.5 59,-2.5 -2,-0.3 60,-0.9 -0.866 20.8-158.9-112.8 143.8 107.5 161.4 117.5 5 15 A I E -ab 38 64A 0 32,-3.3 34,-2.6 -2,-0.4 2,-0.6 -0.977 10.8-145.4-119.4 126.3 106.6 157.9 118.5 6 16 A A E -ab 39 65A 0 58,-1.7 60,-3.0 -2,-0.5 2,-0.7 -0.823 14.4-161.5 -93.8 119.2 108.3 156.1 121.4 7 17 A F E -ab 40 66A 1 32,-3.0 34,-2.2 -2,-0.6 2,-0.7 -0.884 3.9-167.2-105.3 109.1 108.6 152.4 120.7 8 18 A I E -ab 41 67A 0 58,-2.8 60,-3.4 -2,-0.7 2,-0.4 -0.855 10.7-179.3 -99.7 114.8 109.2 150.3 123.8 9 19 A Q E -ab 42 68A 9 32,-2.4 34,-1.8 -2,-0.7 60,-0.2 -0.934 24.1-129.9-121.1 139.9 110.3 146.7 123.1 10 20 A A E -a 43 0A 4 58,-2.3 35,-0.2 -2,-0.4 60,-0.1 -0.523 18.2-132.3 -78.4 146.1 111.1 143.8 125.4 11 21 A R S > S+ 0 0 47 32,-1.9 3,-0.7 33,-1.3 34,-0.2 0.755 76.3 102.0 -72.6 -23.2 114.3 142.0 124.8 12 22 A W T 3 S+ 0 0 141 32,-1.1 58,-0.4 1,-0.3 5,-0.2 -0.300 92.5 7.5 -63.0 145.6 112.7 138.5 125.0 13 23 A H T >> S+ 0 0 49 3,-0.1 4,-2.4 56,-0.1 3,-0.7 0.931 80.6 169.8 46.2 52.9 112.1 136.8 121.7 14 24 A A H <> + 0 0 40 -3,-0.7 4,-3.6 1,-0.2 5,-0.4 0.942 66.1 62.6 -58.4 -52.2 114.0 139.6 120.0 15 25 A D H 34 S+ 0 0 74 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.779 115.6 34.2 -45.8 -31.7 114.1 137.8 116.6 16 26 A I H X> S+ 0 0 0 -3,-0.7 3,-1.3 2,-0.2 4,-1.1 0.930 118.4 46.1 -89.4 -62.7 110.3 138.0 116.5 17 27 A V H 3X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.3 -2,-0.2 0.817 106.8 64.0 -52.0 -30.2 109.5 141.3 118.3 18 28 A D H 3X S+ 0 0 44 -4,-3.6 4,-3.0 -5,-0.3 -1,-0.3 0.918 95.0 59.3 -59.7 -42.7 112.2 142.8 116.1 19 29 A E H <> S+ 0 0 23 -3,-1.3 4,-2.6 -4,-0.5 -1,-0.2 0.914 104.6 48.6 -51.3 -49.4 110.1 142.0 113.1 20 30 A A H X S+ 0 0 0 -4,-1.1 4,-3.4 2,-0.2 -1,-0.2 0.947 112.1 49.8 -57.2 -50.5 107.2 144.1 114.4 21 31 A R H X S+ 0 0 53 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.965 110.9 47.2 -53.2 -59.7 109.5 147.0 115.1 22 32 A K H X S+ 0 0 112 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.919 115.4 46.9 -48.4 -49.4 111.2 147.0 111.7 23 33 A S H X S+ 0 0 9 -4,-2.6 4,-3.0 -5,-0.3 5,-0.3 0.938 111.4 51.7 -58.7 -49.0 107.8 146.8 110.0 24 34 A F H X S+ 0 0 0 -4,-3.4 4,-2.3 -5,-0.2 5,-0.3 0.979 114.3 42.7 -50.1 -64.3 106.5 149.6 112.3 25 35 A V H X S+ 0 0 56 -4,-3.1 4,-3.3 1,-0.2 -2,-0.2 0.900 114.9 48.9 -49.2 -53.8 109.4 151.8 111.4 26 36 A A H X S+ 0 0 57 -4,-3.1 4,-3.2 -5,-0.2 -1,-0.2 0.939 111.0 50.3 -53.7 -54.3 109.4 151.0 107.6 27 37 A E H X S+ 0 0 43 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.961 114.7 42.2 -49.1 -62.8 105.6 151.6 107.3 28 38 A L H X>S+ 0 0 1 -4,-2.3 4,-2.1 -5,-0.3 5,-0.7 0.915 110.5 58.0 -52.8 -45.3 105.7 154.9 109.0 29 39 A A H >X5S+ 0 0 45 -4,-3.3 4,-4.0 -5,-0.3 3,-0.8 0.969 113.6 40.2 -46.4 -58.8 108.9 155.8 107.1 30 40 A A H 3<5S+ 0 0 74 -4,-3.2 -2,-0.2 1,-0.2 3,-0.2 0.978 117.8 44.8 -51.1 -72.4 106.8 155.2 104.0 31 41 A K H 3<5S+ 0 0 134 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.556 132.6 20.6 -53.5 -12.3 103.6 156.8 105.1 32 42 A T H X<5S- 0 0 30 -4,-2.1 3,-0.8 -3,-0.8 -1,-0.2 0.540 88.0-141.2-133.5 -16.7 105.4 159.9 106.5 33 43 A G T 3< S- 0 0 6 -35,-0.2 3,-0.7 -34,-0.2 4,-0.2 -0.582 76.1 -97.4-117.6-179.1 110.6 142.1 129.7 46 56 A A G > S+ 0 0 12 1,-0.2 3,-1.8 2,-0.2 -1,-0.0 0.821 120.5 65.0 -66.2 -31.2 107.0 143.1 128.9 47 57 A Y G 3 S+ 0 0 10 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.803 96.3 57.9 -60.6 -29.6 106.6 143.9 132.6 48 58 A E G <> S+ 0 0 17 -3,-0.7 4,-1.1 1,-0.2 -1,-0.3 0.551 91.1 74.8 -80.2 -6.9 109.1 146.6 132.1 49 59 A I H <> S+ 0 0 0 -3,-1.8 4,-3.4 -4,-0.2 5,-0.3 0.988 84.9 56.6 -71.8 -59.0 107.1 148.3 129.4 50 60 A P H > S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.881 112.3 40.5 -35.4 -70.9 104.2 150.0 131.4 51 61 A L H > S+ 0 0 4 -4,-0.5 4,-2.8 1,-0.2 5,-0.2 0.902 116.1 52.3 -48.5 -47.1 106.5 152.1 133.7 52 62 A H H X S+ 0 0 1 -4,-1.1 4,-2.7 2,-0.2 3,-0.3 0.975 111.6 44.9 -55.4 -55.8 108.8 152.8 130.8 53 63 A A H X S+ 0 0 0 -4,-3.4 4,-3.6 1,-0.3 5,-0.3 0.927 111.2 55.1 -53.3 -46.1 105.9 154.1 128.7 54 64 A K H X S+ 0 0 11 -4,-3.5 4,-1.7 -5,-0.3 -1,-0.3 0.908 110.7 45.6 -54.5 -42.4 104.6 156.0 131.7 55 65 A T H X S+ 0 0 16 -4,-2.8 4,-0.5 -3,-0.3 -2,-0.2 0.922 117.4 40.9 -69.0 -46.4 108.0 157.7 132.0 56 66 A L H >X>S+ 0 0 0 -4,-2.7 3,-2.2 1,-0.2 4,-0.6 0.957 110.9 58.4 -66.5 -48.3 108.4 158.5 128.4 57 67 A A H ><5S+ 0 0 3 -4,-3.6 3,-1.7 -5,-0.3 -1,-0.2 0.879 100.3 58.3 -47.8 -42.9 104.8 159.5 128.0 58 68 A R H 3<5S+ 0 0 153 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.705 90.5 69.6 -65.2 -19.8 105.3 162.1 130.7 59 69 A T H <<5S- 0 0 56 -3,-2.2 -1,-0.3 -4,-0.5 -2,-0.2 0.726 95.4-138.5 -71.3 -17.7 108.0 163.9 128.8 60 70 A G T <<5S+ 0 0 63 -3,-1.7 -2,-0.1 -4,-0.6 -3,-0.1 0.540 73.1 116.2 73.0 4.2 105.4 165.1 126.3 61 71 A R < + 0 0 97 -5,-0.5 -57,-0.5 1,-0.1 2,-0.4 0.822 62.2 65.1 -72.7 -31.7 107.9 164.3 123.6 62 72 A Y - 0 0 9 -6,-0.3 -57,-0.2 -5,-0.2 3,-0.1 -0.817 58.1-160.7-107.1 133.2 105.8 161.6 122.1 63 73 A A S S+ 0 0 35 -59,-2.5 2,-0.3 -2,-0.4 -58,-0.2 0.644 87.9 1.5 -76.3 -16.1 102.5 161.8 120.3 64 74 A A E -b 5 0A 0 -60,-0.9 -58,-1.7 35,-0.2 2,-0.3 -0.924 66.0-143.0-170.7 145.1 102.1 158.1 120.9 65 75 A I E -bc 6 101A 0 35,-3.3 37,-3.2 -2,-0.3 2,-0.4 -0.849 9.9-157.1-114.2 149.8 103.9 155.2 122.5 66 76 A V E -bc 7 102A 0 -60,-3.0 -58,-2.8 -2,-0.3 2,-0.6 -0.959 1.5-159.0-133.5 116.8 104.1 151.6 121.3 67 77 A G E -bc 8 103A 0 35,-2.3 37,-2.8 -2,-0.4 2,-0.5 -0.824 13.6-172.3 -95.3 122.9 104.9 148.6 123.5 68 78 A A E +bc 9 104A 0 -60,-3.4 -58,-2.3 -2,-0.6 37,-0.3 -0.970 20.8 133.5-121.0 127.5 106.1 145.6 121.7 69 79 A A E - c 0 105A 2 35,-2.0 2,-0.8 -2,-0.5 37,-0.8 -0.950 47.9-132.4-166.9 148.8 106.7 142.2 123.2 70 80 A F E - c 0 106A 6 -58,-0.4 2,-0.8 -2,-0.3 37,-0.2 -0.860 29.1-173.7-108.9 90.8 105.9 138.6 122.5 71 81 A V + 0 0 18 35,-1.9 2,-0.2 -2,-0.8 -2,-0.1 -0.807 15.8 165.5 -89.9 112.5 104.5 137.4 125.8 72 82 A I - 0 0 21 -2,-0.8 2,-0.9 35,-0.2 11,-0.1 -0.661 47.6 -90.7-119.2 176.8 104.0 133.6 125.5 73 83 A D - 0 0 35 -2,-0.2 38,-0.2 35,-0.2 5,-0.1 -0.817 32.8-156.7 -89.6 107.0 103.3 130.7 127.9 74 84 A G - 0 0 41 -2,-0.9 780,-0.2 3,-0.6 -1,-0.1 0.594 31.4-123.7 -61.8 -10.4 106.8 129.5 128.7 75 85 A G S S+ 0 0 4 2,-0.4 -1,-0.1 1,-0.1 629,-0.1 0.203 101.8 62.3 86.2 -18.0 105.4 126.1 129.6 76 86 A I S S+ 0 0 17 1,-0.3 628,-1.9 627,-0.1 2,-0.3 0.832 107.4 23.5-102.8 -58.0 107.0 126.4 133.0 77 87 A Y B S-D 703 0B 16 626,-0.3 -3,-0.6 627,-0.1 -2,-0.4 -0.856 88.8 -99.6-113.8 150.0 105.3 129.4 134.7 78 88 A R - 0 0 70 624,-3.3 624,-0.3 -2,-0.3 4,-0.2 -0.445 33.3-171.1 -65.1 131.9 102.0 131.0 134.0 79 89 A H >> + 0 0 21 -2,-0.2 3,-3.3 2,-0.1 4,-0.8 0.924 67.1 77.1 -89.1 -55.7 102.5 134.1 131.8 80 90 A D H 3> S+ 0 0 24 1,-0.3 4,-3.9 2,-0.2 5,-0.4 0.670 81.6 67.8 -24.6 -51.5 99.1 135.7 131.7 81 91 A F H 3> S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.896 111.8 37.3 -42.8 -43.0 99.3 137.2 135.2 82 92 A V H <> S+ 0 0 35 -3,-3.3 4,-3.3 2,-0.2 5,-0.2 0.967 112.8 54.3 -73.5 -57.0 102.0 139.4 133.6 83 93 A A H X S+ 0 0 0 -4,-0.8 4,-3.7 1,-0.2 5,-0.4 0.920 111.3 49.1 -42.7 -51.2 100.3 139.8 130.2 84 94 A T H X S+ 0 0 39 -4,-3.9 4,-3.1 1,-0.2 5,-0.4 0.966 111.9 46.2 -54.7 -57.0 97.3 141.1 132.1 85 95 A A H X S+ 0 0 2 -4,-1.9 4,-1.8 -5,-0.4 -1,-0.2 0.835 117.2 46.3 -56.2 -34.0 99.3 143.5 134.2 86 96 A V H X S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 5,-0.3 0.969 115.2 42.4 -74.4 -54.6 101.1 144.7 131.1 87 97 A I H X S+ 0 0 2 -4,-3.7 4,-1.2 -5,-0.2 -2,-0.2 0.868 121.4 43.3 -60.7 -35.3 98.1 145.1 128.8 88 98 A N H X S+ 0 0 40 -4,-3.1 4,-2.6 -5,-0.4 -1,-0.2 0.899 112.2 55.1 -74.4 -41.2 96.2 146.7 131.7 89 99 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.4 -2,-0.2 0.911 105.5 48.5 -58.2 -49.9 99.2 148.8 132.7 90 100 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.917 112.9 50.2 -59.2 -41.4 99.8 150.4 129.4 91 101 A M H X S+ 0 0 4 -4,-1.2 4,-2.3 -5,-0.3 -1,-0.2 0.922 107.7 54.2 -60.9 -42.5 96.1 151.2 129.3 92 102 A Q H < S+ 0 0 56 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.846 112.1 44.9 -56.8 -38.7 96.5 152.6 132.8 93 103 A V H >X S+ 0 0 0 -4,-2.0 3,-1.1 2,-0.2 4,-1.0 0.934 110.8 49.1 -74.2 -52.3 99.3 154.9 131.6 94 104 A Q H 3X>S+ 0 0 2 -4,-2.9 4,-1.5 1,-0.3 5,-0.6 0.884 113.1 50.5 -58.3 -35.5 97.7 156.2 128.4 95 105 A L H 3<5S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.692 116.0 41.5 -74.8 -17.5 94.6 156.9 130.4 96 106 A E H <45S+ 0 0 80 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.386 127.3 30.2-110.7 3.4 96.6 158.8 133.0 97 107 A T H <5S- 0 0 31 -4,-1.0 -2,-0.2 -3,-0.5 -3,-0.2 0.346 97.1-132.2-133.7 -7.6 98.9 160.6 130.6 98 108 A E T <5 + 0 0 49 -4,-1.5 -3,-0.2 -5,-0.4 -4,-0.2 0.912 63.9 131.7 49.4 47.8 96.5 160.9 127.7 99 109 A V < - 0 0 15 -5,-0.6 -1,-0.2 -6,-0.2 -35,-0.2 -0.995 65.9-113.2-127.4 119.6 99.1 159.6 125.4 100 110 A P - 0 0 3 0, 0.0 -35,-3.3 0, 0.0 2,-0.6 -0.299 29.6-165.8 -54.7 131.0 98.0 156.8 123.1 101 111 A V E -c 65 0A 0 -37,-0.2 -35,-0.2 94,-0.1 2,-0.2 -0.928 9.0-155.6-121.2 101.3 99.9 153.7 124.0 102 112 A L E -c 66 0A 4 -37,-3.2 -35,-2.3 -2,-0.6 2,-0.6 -0.569 10.9-133.0 -80.0 143.9 99.5 151.2 121.2 103 113 A S E +c 67 0A 30 -2,-0.2 -35,-0.2 -37,-0.2 92,-0.1 -0.860 42.8 152.2-106.2 123.0 99.8 147.5 122.1 104 114 A V E +c 68 0A 6 -37,-2.8 -35,-2.0 -2,-0.6 2,-0.9 -0.360 40.9 123.2-133.2 41.5 101.9 145.1 120.1 105 115 A V E -c 69 0A 5 -37,-0.3 -35,-0.2 -35,-0.1 2,-0.1 -0.719 49.2-174.3-102.8 72.1 102.4 143.1 123.2 106 116 A L E -c 70 0A 24 -2,-0.9 -35,-1.9 -37,-0.8 -2,-0.1 -0.441 21.1-160.3 -77.1 146.8 100.9 139.9 121.6 107 117 A T - 0 0 4 119,-0.2 119,-2.9 -37,-0.2 -35,-0.2 -0.935 15.6-145.8-127.4 103.9 100.3 136.7 123.4 108 118 A P B -E 225 0C 3 0, 0.0 117,-0.2 0, 0.0 -35,-0.2 -0.247 15.5-128.4 -65.8 159.6 99.9 133.7 121.1 109 119 A H S S+ 0 0 42 115,-1.9 2,-0.3 1,-0.3 116,-0.1 0.925 93.7 10.4 -72.5 -47.1 97.5 130.9 122.1 110 120 A H + 0 0 57 114,-0.3 -1,-0.3 -38,-0.0 2,-0.1 -0.973 66.4 157.5-133.5 146.3 100.2 128.3 121.6 111 121 A F + 0 0 4 -2,-0.3 2,-0.4 -38,-0.2 706,-0.1 -0.440 7.2 175.1-173.4 93.4 103.9 128.6 121.0 112 121AA H - 0 0 15 704,-0.3 2,-4.1 -2,-0.1 6,-0.2 -0.856 55.8 -98.1 -99.2 135.8 106.6 126.0 121.7 113 121BA E S S+ 0 0 87 -2,-0.4 2,-0.2 4,-0.1 3,-0.1 -0.182 79.1 140.2 -56.7 68.4 110.0 127.1 120.6 114 121CA S > - 0 0 29 -2,-4.1 4,-2.7 1,-0.1 5,-0.3 -0.667 65.2-112.8-109.0 164.2 109.6 125.1 117.4 115 122 A K H > S+ 0 0 144 -2,-0.2 4,-3.5 2,-0.2 5,-0.3 0.996 115.4 46.0 -58.6 -66.4 110.6 126.0 113.8 116 123 A E H > S+ 0 0 61 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.893 116.9 44.3 -40.1 -61.4 107.0 126.3 112.5 117 124 A H H > S+ 0 0 13 -5,-0.2 4,-2.0 1,-0.2 5,-0.3 0.913 115.6 47.3 -52.5 -51.0 105.9 128.4 115.4 118 125 A H H X S+ 0 0 40 -4,-2.7 4,-2.5 -6,-0.2 5,-0.3 0.944 114.2 46.1 -59.5 -50.6 108.9 130.6 115.5 119 126 A D H X S+ 0 0 70 -4,-3.5 4,-2.0 -5,-0.3 5,-0.2 0.906 108.9 57.8 -60.3 -40.9 108.8 131.2 111.7 120 127 A F H X S+ 0 0 31 -4,-2.9 4,-3.4 -5,-0.3 -2,-0.2 0.938 115.0 32.8 -55.0 -55.1 105.1 131.9 111.8 121 128 A F H X S+ 0 0 8 -4,-2.0 4,-4.6 2,-0.3 5,-0.3 0.862 111.9 60.9 -72.1 -37.7 105.2 134.7 114.3 122 129 A H H < S+ 0 0 53 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.900 116.7 37.2 -54.0 -36.6 108.5 136.0 113.2 123 130 A A H >X S+ 0 0 54 -4,-2.0 3,-1.0 -5,-0.3 4,-0.9 0.924 118.4 48.0 -79.6 -48.3 106.6 136.4 110.0 124 131 A H H 3X S+ 0 0 9 -4,-3.4 4,-2.2 1,-0.3 3,-0.4 0.842 99.7 64.7 -65.0 -35.0 103.3 137.5 111.5 125 132 A F H 3X S+ 0 0 0 -4,-4.6 4,-1.9 1,-0.2 -1,-0.3 0.810 95.8 62.6 -58.9 -24.7 104.9 140.1 113.8 126 133 A K H <> S+ 0 0 123 -3,-1.0 4,-1.7 -4,-0.4 -1,-0.2 0.950 104.1 45.3 -63.9 -47.9 105.8 141.8 110.6 127 134 A V H X S+ 0 0 63 -4,-0.9 4,-2.3 -3,-0.4 -2,-0.2 0.939 111.4 53.5 -59.3 -46.0 102.1 142.3 109.7 128 135 A K H X S+ 0 0 37 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.829 103.3 58.7 -57.2 -35.0 101.4 143.4 113.3 129 136 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.942 106.8 45.9 -61.3 -49.4 104.2 146.0 112.9 130 137 A 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35,-2.3 37,-3.7 -2,-0.4 2,-0.4 -0.978 13.6-177.5-117.5 123.5 90.6 140.1 156.3 513 78 D A E +op 454 549H 0 -60,-3.1 -58,-2.6 -2,-0.5 37,-0.3 -0.983 17.3 133.3-128.2 133.9 89.0 136.7 156.8 514 79 D A E - p 0 550H 2 35,-1.5 2,-0.9 -2,-0.4 37,-0.8 -0.924 49.4-124.3-170.6 146.9 86.2 135.1 154.8 515 80 D F E - p 0 551H 6 -58,-0.6 2,-0.8 -2,-0.3 37,-0.2 -0.847 31.5-175.8-101.0 94.3 85.5 131.8 153.2 516 81 D V + 0 0 13 35,-2.0 2,-0.2 -2,-0.9 8,-0.1 -0.841 15.2 169.4 -95.1 107.1 84.7 132.7 149.6 517 82 D I - 0 0 18 -2,-0.8 2,-1.6 35,-0.2 37,-0.1 -0.717 50.1 -89.3-116.8 166.2 83.6 129.5 147.8 518 83 D D - 0 0 38 35,-0.4 2,-2.9 -2,-0.2 38,-0.2 -0.601 46.8-149.1 -72.4 95.1 82.1 128.6 144.5 519 84 D G > - 0 0 41 -2,-1.6 2,-6.1 3,-0.3 3,-0.7 -0.210 23.2-119.0 -68.7 53.8 78.5 128.8 145.9 520 85 D G T 3 S+ 0 0 3 -2,-2.9 -1,-0.2 1,-0.2 -114,-0.1 0.013 104.8 46.0 43.8 -46.1 77.0 126.2 143.6 521 86 D I T 3 S+ 0 0 18 -2,-6.1 -115,-2.3 1,-0.1 -114,-0.4 0.942 114.2 24.3 -89.3 -63.0 74.6 128.7 142.1 522 87 D 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147.4 532 97 D I H X5S+ 0 0 2 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.925 123.1 42.9 -57.0 -41.7 91.6 140.1 147.3 533 98 D N H X5S+ 0 0 38 -4,-3.1 4,-2.7 -5,-0.4 -1,-0.2 0.961 111.6 55.4 -65.9 -49.7 92.4 142.9 144.8 534 99 D G H XS+ 0 0 2 -4,-2.9 4,-1.9 2,-0.2 5,-0.7 0.873 112.0 50.2 -75.3 -34.1 96.8 148.5 151.8 540 105 D L H <5S+ 0 0 0 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.763 113.3 49.9 -69.3 -26.0 98.8 150.2 149.0 541 106 D E H <5S+ 0 0 91 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.749 124.9 24.1 -84.0 -28.3 96.6 153.2 149.5 542 107 D T H <5S- 0 0 32 -4,-1.3 -2,-0.2 2,-0.2 -3,-0.2 0.444 96.2-128.0-117.2 -6.6 97.0 153.5 153.2 543 108 D E T <5 + 0 0 60 -4,-1.9 -3,-0.2 1,-0.2 -4,-0.1 0.883 68.3 128.8 56.4 40.1 100.3 151.8 153.7 544 109 D V < - 0 0 18 -5,-0.7 -1,-0.2 -6,-0.3 -2,-0.2 -0.965 66.7-113.4-125.4 111.2 98.7 149.6 156.3 545 110 D P - 0 0 4 0, 0.0 -35,-2.9 0, 0.0 2,-0.6 -0.095 26.6-163.7 -46.0 131.1 99.3 145.9 155.7 546 111 D V E -p 510 0H 0 -37,-0.2 2,-0.3 96,-0.2 -35,-0.2 -0.928 7.9-159.8-119.0 101.6 96.2 144.0 155.0 547 112 D L E -p 511 0H 5 -37,-2.6 -35,-2.3 -2,-0.6 2,-0.6 -0.630 14.6-132.5 -81.5 145.3 96.9 140.3 155.4 548 113 D S E +p 512 0H 29 -2,-0.3 -35,-0.2 -37,-0.2 94,-0.1 -0.866 42.1 156.9-107.8 124.8 94.4 138.0 153.6 549 114 D V E +p 513 0H 4 -37,-3.7 -35,-1.5 -2,-0.6 2,-1.1 -0.247 43.2 123.7-126.5 35.2 92.7 135.0 155.1 550 115 D V E -p 514 0H 5 -37,-0.3 2,-0.2 -35,-0.1 -35,-0.2 -0.735 47.6-176.1 -98.1 76.1 90.0 135.4 152.5 551 116 D L E -p 515 0H 22 -2,-1.1 -35,-2.0 -37,-0.8 -2,-0.1 -0.486 23.1-163.1 -83.1 146.9 90.5 131.9 151.2 552 117 D T - 0 0 4 121,-0.3 121,-3.1 -2,-0.2 -35,-0.2 -0.941 16.0-147.2-130.4 106.6 88.7 130.3 148.2 553 118 D P B -Q 672 0I 2 0, 0.0 -35,-0.4 0, 0.0 119,-0.3 -0.429 17.6-126.9 -73.0 150.2 88.9 126.5 148.1 554 119 D H S S+ 0 0 33 117,-2.5 2,-0.4 1,-0.2 118,-0.1 0.908 94.8 14.8 -62.1 -41.2 89.0 124.7 144.8 555 120 D H + 0 0 55 116,-0.4 -1,-0.2 559,-0.1 2,-0.2 -0.993 65.8 156.9-137.1 142.5 86.0 122.6 145.8 556 121 D F + 0 0 7 -2,-0.4 2,-0.6 -38,-0.2 -36,-0.2 -0.666 9.6 178.7-168.8 108.0 83.5 122.8 148.6 557 121AD H - 0 0 13 -2,-0.2 2,-0.4 556,-0.2 5,-0.3 -0.958 50.5-105.1-114.8 110.3 80.0 121.3 148.7 558 121BD E S S+ 0 0 93 -2,-0.6 2,-0.3 4,-0.1 3,-0.1 -0.045 77.7 134.7 -36.6 84.8 78.4 122.0 152.0 559 121CD S S > S- 0 0 32 -2,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.918 70.9-105.6-137.7 161.2 79.0 118.4 153.2 560 122 D K H > S+ 0 0 147 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.968 117.4 47.0 -53.6 -59.4 80.2 116.8 156.4 561 123 D E H > S+ 0 0 65 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.937 116.4 42.2 -48.4 -61.5 83.6 115.9 154.9 562 124 D H H >> S+ 0 0 12 -5,-0.3 4,-1.9 1,-0.2 3,-1.5 0.937 112.9 52.6 -52.7 -54.8 84.4 119.3 153.4 563 125 D H H 3X S+ 0 0 39 -4,-2.6 4,-2.6 1,-0.3 5,-0.3 0.939 109.8 48.5 -48.4 -56.0 83.1 121.3 156.3 564 126 D D H 3X S+ 0 0 68 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.3 0.647 107.5 57.3 -62.2 -16.1 85.2 119.5 158.8 565 127 D F H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 3,-0.8 0.913 98.0 62.1 -75.1 -42.6 92.2 124.0 158.1 570 132 D F H 3X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.3 -1,-0.2 0.838 97.2 63.3 -53.1 -29.7 91.3 127.6 158.9 571 133 D K H 3X S+ 0 0 121 -4,-0.5 4,-1.9 -5,-0.3 -1,-0.3 0.959 106.5 43.5 -56.9 -49.0 92.8 126.9 162.3 572 134 D V H X S+ 0 0 63 -4,-1.6 4,-2.4 -5,-0.4 3,-1.0 0.997 111.8 53.2 -63.2 -64.3 108.0 143.9 162.4 587 149 D E H 3< S+ 0 0 15 -4,-3.4 4,-0.5 1,-0.3 -2,-0.2 0.824 109.8 50.9 -38.3 -45.8 109.7 144.0 159.0 588 150 D R H >X S+ 0 0 43 -4,-2.4 4,-1.3 -5,-0.3 3,-0.8 0.860 107.6 49.4 -65.2 -40.6 108.0 147.3 158.2 589 151 D S H << S+ 0 0 90 -4,-1.6 -1,-0.2 -3,-1.0 -2,-0.2 0.904 106.3 59.1 -64.9 -38.8 109.0 149.1 161.5 590 152 D R T 3< S+ 0 0 130 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.692 103.2 57.4 -61.7 -19.4 112.5 147.9 160.7 591 153 D I T <4 0 0 14 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.986 360.0 360.0 -78.3 -64.3 112.3 149.9 157.5 592 154 D A < 0 0 128 -4,-1.3 -2,-0.1 0, 0.0 -3,-0.1 0.916 360.0 360.0 -44.0 360.0 111.5 153.5 158.4 593 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 594 9 E N 0 0 163 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 43.1 134.1 153.2 134.1 595 10 E K - 0 0 128 35,-0.0 2,-0.3 2,-0.0 32,-0.0 -0.973 360.0-167.1-129.9 133.8 131.6 151.9 136.6 596 11 E T - 0 0 103 -2,-0.4 2,-0.3 2,-0.0 34,-0.0 -0.811 16.1-157.1-109.9 153.2 128.3 153.3 137.9 597 12 E S + 0 0 82 -2,-0.3 2,-0.3 34,-0.0 34,-0.2 -0.906 16.3 161.9-134.2 161.8 126.5 151.9 141.0 598 13 E F E -r 631 0J 36 32,-0.7 34,-2.4 -2,-0.3 2,-0.5 -0.977 32.9 -98.8-164.9 173.2 123.1 151.6 142.6 599 14 E K E -r 632 0J 85 57,-0.5 59,-1.9 -2,-0.3 60,-0.9 -0.909 23.4-166.4-116.0 130.3 120.9 149.9 145.2 600 15 E I E -rs 633 659J 0 32,-3.3 34,-3.5 -2,-0.5 2,-0.7 -0.904 12.5-146.3-111.5 134.9 118.4 147.1 144.6 601 16 E A E -rs 634 660J 0 58,-2.1 60,-3.4 -2,-0.4 2,-0.7 -0.895 13.1-161.2-103.7 111.4 115.8 146.0 147.2 602 17 E F E -rs 635 661J 1 32,-3.2 34,-3.4 -2,-0.7 2,-0.5 -0.840 6.0-168.1 -96.8 111.0 115.1 142.3 146.9 603 18 E I E -rs 636 662J 0 58,-4.4 60,-3.7 -2,-0.7 2,-0.4 -0.868 9.1-179.5-101.2 126.5 111.8 141.4 148.6 604 19 E Q E -rs 637 663J 6 32,-2.6 34,-2.5 -2,-0.5 60,-0.2 -0.990 25.5-125.9-134.8 135.4 111.2 137.7 149.1 605 20 E A E -r 638 0J 3 58,-1.7 35,-0.2 -2,-0.4 60,-0.1 -0.488 19.6-131.4 -73.6 138.8 108.3 135.7 150.6 606 21 E R S > S+ 0 0 42 32,-1.6 3,-1.3 33,-1.3 2,-0.2 0.705 80.1 99.9 -63.7 -21.6 109.2 133.3 153.4 607 22 E W T 3 S+ 0 0 151 32,-1.0 58,-0.5 1,-0.3 5,-0.2 -0.501 96.6 2.4 -72.5 133.3 107.1 130.5 151.7 608 23 E H T >> S+ 0 0 70 -2,-0.2 4,-3.1 3,-0.1 3,-1.9 0.782 80.5 161.4 62.7 28.2 109.2 128.0 149.7 609 24 E A H <> + 0 0 32 -3,-1.3 4,-3.3 1,-0.3 5,-0.4 0.857 67.0 64.7 -46.8 -40.9 112.3 129.8 150.8 610 25 E D H 34 S+ 0 0 91 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.889 116.5 29.8 -51.7 -38.7 114.3 126.8 149.9 611 26 E I H X> S+ 0 0 1 -3,-1.9 3,-1.1 2,-0.1 4,-0.7 0.928 121.7 49.6 -84.9 -52.8 113.3 127.5 146.4 612 27 E V H >X S+ 0 0 0 -4,-3.1 3,-2.3 1,-0.3 4,-1.6 0.931 103.1 61.1 -52.8 -52.6 112.9 131.2 146.5 613 28 E D H 3X S+ 0 0 43 -4,-3.3 4,-3.7 1,-0.3 5,-0.4 0.817 94.6 66.2 -41.9 -38.2 116.3 131.7 148.1 614 29 E E H <> S+ 0 0 22 -3,-1.1 4,-1.7 -5,-0.4 -1,-0.3 0.852 103.0 44.3 -55.5 -37.9 117.7 130.1 145.0 615 30 E A H < S- 0 0 11 -4,-1.6 3,-1.9 -5,-0.4 -3,-0.2 0.553 86.9-140.8-118.3 -13.5 129.0 144.7 138.8 628 43 E G T 3< S- 0 0 60 -4,-1.6 -4,-0.2 -5,-0.4 -3,-0.1 0.954 78.8 -40.7 51.5 58.4 131.4 143.4 141.5 629 44 E G T 3 S+ 0 0 52 -6,-0.5 -1,-0.3 2,-0.3 -5,-0.1 0.259 114.2 114.6 77.9 -18.2 129.6 145.0 144.4 630 45 E S S < S+ 0 0 22 -3,-1.9 -32,-0.7 -7,-0.2 2,-0.6 0.934 78.7 49.5 -49.3 -45.8 129.0 148.1 142.3 631 46 E V E S-r 598 0J 7 -8,-0.4 2,-0.5 -34,-0.2 -2,-0.3 -0.862 84.8-151.7 -99.3 122.8 125.3 147.2 142.6 632 47 E E E -r 599 0J 99 -34,-2.4 -32,-3.3 -2,-0.6 2,-0.6 -0.824 2.6-156.8 -98.3 128.6 124.2 146.5 146.1 633 48 E V E -r 600 0J 31 -2,-0.5 2,-0.5 -34,-0.2 -32,-0.2 -0.904 5.2-164.0-106.5 119.2 121.3 144.1 146.7 634 49 E E E -r 601 0J 50 -34,-3.5 -32,-3.2 -2,-0.6 2,-0.4 -0.910 13.9-143.6-103.3 124.5 119.5 144.6 150.0 635 50 E I E -r 602 0J 56 -2,-0.5 2,-0.5 -34,-0.2 -32,-0.2 -0.728 15.1-172.1 -93.3 133.2 117.2 141.7 151.0 636 51 E F E -r 603 0J 15 -34,-3.4 -32,-2.6 -2,-0.4 2,-0.5 -0.985 15.2-143.2-125.9 124.7 113.9 142.1 152.8 637 52 E D E +r 604 0J 71 -2,-0.5 -32,-0.2 -34,-0.2 -50,-0.1 -0.744 21.9 178.3 -89.0 125.7 111.9 139.1 154.1 638 53 E V E -r 605 0J 0 -34,-2.5 -32,-1.6 -2,-0.5 6,-0.1 -0.956 31.5-122.6-125.0 143.8 108.2 139.4 153.7 639 54 E P S S- 0 0 8 0, 0.0 -33,-1.3 0, 0.0 -32,-1.0 0.964 82.0 -0.7 -48.1 -81.6 105.7 136.7 154.8 640 55 E G S > S- 0 0 13 -35,-0.2 3,-1.6 -34,-0.1 4,-0.1 -0.565 76.2-100.8-110.0 176.2 103.7 135.9 151.7 641 56 E A G > S+ 0 0 12 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.813 120.7 66.5 -62.8 -27.2 103.7 137.1 148.1 642 57 E Y G 3 S+ 0 0 10 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.739 93.7 58.9 -66.0 -21.5 100.7 139.1 149.1 643 58 E E G <> S+ 0 0 14 -3,-1.6 4,-1.0 1,-0.1 -1,-0.3 0.352 90.0 78.4 -90.6 7.8 103.0 141.2 151.4 644 59 E I H <> S+ 0 0 0 -3,-1.8 4,-3.2 2,-0.2 5,-0.3 0.969 79.0 57.5 -82.7 -58.9 105.2 142.3 148.5 645 60 E P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.881 113.6 41.8 -39.2 -54.3 103.4 145.1 146.6 646 61 E L H > S+ 0 0 4 -4,-0.4 4,-3.5 2,-0.2 5,-0.2 0.938 114.3 48.8 -61.8 -51.9 103.2 147.2 149.8 647 62 E H H X S+ 0 0 0 -4,-1.0 4,-3.2 1,-0.2 5,-0.2 0.951 113.3 50.3 -52.5 -49.0 106.7 146.5 151.1 648 63 E A H X S+ 0 0 0 -4,-3.2 4,-3.8 2,-0.2 5,-0.3 0.930 111.6 46.8 -55.0 -49.5 108.0 147.3 147.6 649 64 E K H X S+ 0 0 18 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.952 112.3 50.2 -59.8 -48.2 106.1 150.6 147.5 650 65 E T H < S+ 0 0 14 -4,-3.5 4,-0.4 1,-0.2 -2,-0.2 0.926 117.0 41.4 -55.5 -45.4 107.2 151.5 151.0 651 66 E L H ><>S+ 0 0 0 -4,-3.2 3,-1.6 -5,-0.2 5,-0.5 0.927 111.3 54.4 -69.6 -45.7 110.8 150.8 150.0 652 67 E A H ><5S+ 0 0 3 -4,-3.8 3,-1.5 1,-0.3 -1,-0.2 0.849 103.3 58.2 -57.4 -34.5 110.6 152.4 146.5 653 68 E R T 3<5S+ 0 0 148 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.668 90.9 68.1 -72.3 -15.4 109.4 155.6 148.1 654 69 E T T < 5S- 0 0 47 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.642 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