==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JAN-12 3VDM . COMPND 2 MOLECULE: VLDE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES HYGROSCOPICUS SUBSP. LIMO . AUTHOR M.C.CAVALIER,Y.-S.YIM,S.ASAMIZU,D.NEAU,T.MAHMUD,Y.-H.LEE . 957 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 678 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 4 0.4 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 . 55 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 339 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 5 5 1 0 4 2 3 3 0 3 3 2 0 0 0 0 0 4 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 9 6 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 PARALLEL BRIDGES PER LADDER . 0 0 2 3 3 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 . 2 0 0 0 2 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 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 3 A G 0 0 87 0, 0.0 42,-0.2 0, 0.0 41,-0.1 0.000 360.0 360.0 360.0 101.0 9.2 -37.2 20.9 2 4 A S E -a 43 0A 55 40,-2.9 42,-1.7 42,-0.1 43,-1.3 -0.340 360.0-137.2 -60.7 140.6 12.5 -35.2 20.9 3 5 A E E -ab 45 150A 56 146,-0.6 148,-2.8 41,-0.2 2,-0.3 -0.899 30.1-154.8 -96.8 109.7 12.9 -32.4 23.4 4 6 A I E -ab 46 151A 2 41,-2.6 43,-1.8 -2,-0.7 2,-0.5 -0.686 18.8-170.3 -97.6 137.8 14.5 -29.6 21.2 5 7 A F E -ab 47 152A 10 146,-3.3 148,-2.4 -2,-0.3 2,-0.4 -0.907 12.9-169.9-124.8 101.5 16.7 -26.8 22.5 6 8 A L E -ab 48 153A 0 41,-2.7 43,-2.8 -2,-0.5 2,-0.4 -0.762 3.2-171.0 -90.9 134.2 17.3 -24.2 19.7 7 9 A A E +ab 49 154A 1 146,-2.6 148,-3.1 -2,-0.4 2,-0.3 -0.988 16.2 151.1-126.0 133.6 19.9 -21.4 20.2 8 10 A S - 0 0 9 41,-1.9 43,-0.4 -2,-0.4 148,-0.1 -0.933 55.9-103.3-149.9 166.3 20.4 -18.5 17.8 9 11 A K S S+ 0 0 83 -2,-0.3 42,-1.1 146,-0.2 2,-0.3 0.831 102.5 16.3 -67.7 -26.2 21.6 -14.9 18.0 10 12 A R - 0 0 145 40,-0.2 2,-0.6 39,-0.1 -1,-0.2 -1.000 50.9-159.8-149.1 139.7 18.0 -13.6 17.8 11 13 A A - 0 0 2 40,-0.4 2,-0.7 -2,-0.3 39,-0.1 -0.991 35.1-133.4-112.7 115.2 14.4 -14.7 18.2 12 14 A A + 0 0 33 -2,-0.6 17,-2.6 17,-0.1 2,-0.4 -0.634 33.2 174.7 -82.3 114.2 12.4 -12.1 16.4 13 15 A I E -J 28 0B 20 -2,-0.7 2,-0.6 15,-0.2 15,-0.2 -0.968 25.6-136.9-117.6 134.4 9.5 -11.1 18.6 14 16 A T E -J 27 0B 55 13,-3.5 13,-2.1 -2,-0.4 2,-0.5 -0.806 16.8-159.4 -91.3 120.6 7.1 -8.3 17.8 15 17 A Y E +J 26 0B 59 -2,-0.6 2,-0.2 11,-0.2 11,-0.2 -0.884 34.8 117.5 -97.3 129.2 6.2 -6.1 20.8 16 18 A D E -J 25 0B 51 9,-3.0 9,-4.4 -2,-0.5 2,-0.3 -0.901 54.7 -93.6-160.1-162.2 3.0 -4.0 20.6 17 19 A T E -J 24 0B 81 7,-0.3 6,-0.1 -2,-0.2 -2,-0.0 -0.896 42.0 -97.3-127.4 156.9 -0.4 -3.4 22.2 18 20 A D > - 0 0 44 5,-2.6 4,-2.2 -2,-0.3 5,-0.1 -0.557 27.1-133.7 -76.3 131.5 -3.8 -4.8 21.3 19 21 A P T 4 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.772 103.2 31.4 -53.8 -32.3 -5.9 -2.5 19.0 20 22 A A T 4 S+ 0 0 92 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.893 129.5 31.0 -90.3 -48.3 -9.1 -3.0 21.2 21 23 A T T 4 S- 0 0 89 2,-0.1 -1,-0.0 1,-0.0 -4,-0.0 0.726 86.6-135.2 -89.1 -21.7 -7.8 -3.5 24.8 22 24 A G < + 0 0 45 -4,-2.2 3,-0.1 1,-0.3 -1,-0.0 0.323 55.9 146.9 79.2 -6.3 -4.6 -1.4 24.7 23 25 A E - 0 0 126 -6,-0.1 -5,-2.6 1,-0.1 -1,-0.3 -0.324 56.4-105.5 -63.0 138.9 -2.9 -4.4 26.5 24 26 A P E -J 17 0B 100 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.383 40.1-168.8 -64.3 140.9 0.8 -5.1 25.7 25 27 A R E -J 16 0B 92 -9,-4.4 -9,-3.0 -3,-0.1 2,-0.4 -0.981 12.6-169.4-130.2 147.6 1.3 -8.1 23.4 26 28 A A E +J 15 0B 47 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.985 17.6 170.2-135.0 123.0 4.5 -9.9 22.5 27 29 A W E -J 14 0B 105 -13,-2.1 -13,-3.5 -2,-0.4 2,-0.3 -0.989 34.6-107.0-142.1 143.9 4.4 -12.5 19.7 28 30 A L E -J 13 0B 11 -2,-0.4 -15,-0.2 43,-0.3 3,-0.1 -0.493 38.5-111.9 -66.5 128.4 6.8 -14.5 17.7 29 31 A A > - 0 0 28 -17,-2.6 3,-1.0 -2,-0.3 6,-0.2 -0.424 38.0-112.5 -53.3 129.4 7.4 -13.5 14.1 30 32 A P T 3 S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.317 100.4 35.2 -61.7 148.9 6.0 -16.2 11.7 31 33 A G T 3 S+ 0 0 31 1,-0.2 -2,-0.1 -3,-0.1 230,-0.1 0.506 81.7 147.3 77.7 5.6 8.6 -18.1 9.7 32 34 A G <> - 0 0 17 -3,-1.0 4,-1.7 1,-0.1 -1,-0.2 -0.313 62.4-113.8 -64.3 156.3 11.2 -18.0 12.5 33 35 A T H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.939 119.3 51.7 -58.0 -41.7 13.5 -21.1 12.7 34 36 A G H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 105.4 56.6 -64.2 -35.8 11.9 -22.0 16.1 35 37 A N H > S+ 0 0 15 -6,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.919 110.3 43.0 -61.5 -46.4 8.4 -21.8 14.5 36 38 A V H >< S+ 0 0 13 -4,-1.7 3,-1.0 1,-0.2 4,-0.4 0.889 110.2 54.1 -69.7 -43.5 9.2 -24.3 11.8 37 39 A V H >< S+ 0 0 2 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.908 102.3 60.6 -57.6 -37.9 11.1 -26.8 14.1 38 40 A A H 3< S+ 0 0 7 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.760 100.3 55.7 -62.5 -24.0 8.0 -26.9 16.3 39 41 A E T << S+ 0 0 69 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.509 81.7 110.4 -86.3 -7.3 5.8 -28.2 13.4 40 42 A Q S X S- 0 0 15 -3,-1.5 3,-1.2 -4,-0.4 -3,-0.0 -0.404 74.8-118.6 -76.7 155.2 7.9 -31.2 12.6 41 43 A A T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.895 104.4 47.5 -59.6 -56.2 6.6 -34.7 13.4 42 44 A G T 3 S+ 0 0 49 -41,-0.1 -40,-2.9 1,-0.0 2,-0.7 0.198 85.9 111.2 -79.4 19.4 9.0 -36.1 15.9 43 45 A V E < +a 2 0A 26 -3,-1.2 -40,-0.1 -42,-0.2 3,-0.1 -0.849 35.9 175.0-103.1 108.9 9.1 -33.0 18.1 44 46 A L E S- 0 0 121 -42,-1.7 2,-0.3 -2,-0.7 -41,-0.2 0.891 71.8 -20.6 -71.8 -48.8 7.4 -33.2 21.6 45 47 A N E -a 3 0A 68 -43,-1.3 -41,-2.6 31,-0.0 2,-0.3 -0.977 59.4-150.8-155.5 170.7 8.5 -29.7 22.7 46 48 A I E -a 4 0A 7 31,-0.3 33,-1.9 -2,-0.3 2,-0.3 -0.996 3.7-164.1-149.9 143.0 10.9 -26.9 22.0 47 49 A S E -ac 5 79A 12 -43,-1.8 -41,-2.7 -2,-0.3 2,-0.5 -0.942 12.2-151.4-120.0 148.0 12.7 -24.0 23.7 48 50 A W E -ac 6 80A 8 31,-3.3 33,-3.4 -2,-0.3 2,-0.4 -0.984 9.5-169.5-124.3 118.9 14.4 -21.1 22.0 49 51 A I E +ac 7 81A 0 -43,-2.8 -41,-1.9 -2,-0.5 2,-0.3 -0.930 23.2 143.4-106.4 130.5 17.3 -19.4 23.7 50 52 A A E - c 0 82A 0 31,-2.0 33,-2.7 -2,-0.4 2,-0.2 -0.963 47.6 -78.8-156.8 171.5 18.6 -16.1 22.2 51 53 A S E - c 0 83A 1 -42,-1.1 2,-0.5 -43,-0.4 -40,-0.4 -0.498 35.3-123.9 -78.5 141.5 20.1 -12.7 23.1 52 54 A A + 0 0 13 31,-2.8 33,-0.3 -2,-0.2 -1,-0.1 -0.772 37.7 168.7 -72.2 123.7 18.1 -9.8 24.3 53 55 A D + 0 0 88 -2,-0.5 2,-0.3 31,-0.1 -1,-0.1 -0.041 49.2 46.2-131.6 35.7 18.8 -6.9 21.8 54 56 A S S > S- 0 0 53 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.968 88.2-101.9-160.6 159.0 16.4 -4.1 22.4 55 57 A E H > S+ 0 0 143 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.874 125.2 53.2 -57.1 -34.0 15.0 -2.2 25.3 56 58 A D H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 107.7 49.0 -63.6 -44.6 11.8 -4.4 24.8 57 59 A D H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.938 109.3 53.0 -55.4 -49.1 13.8 -7.8 24.9 58 60 A R H X S+ 0 0 123 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.912 110.4 48.6 -52.2 -47.2 15.8 -6.7 28.1 59 61 A R H X S+ 0 0 140 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.907 111.5 47.8 -63.2 -43.8 12.4 -6.0 29.8 60 62 A A H X S+ 0 0 26 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.864 113.0 49.0 -68.7 -32.4 10.9 -9.3 28.8 61 63 A S H < S+ 0 0 7 -4,-2.3 6,-0.3 2,-0.2 -2,-0.2 0.934 111.6 48.2 -71.4 -46.4 14.0 -11.2 30.0 62 64 A A H < S+ 0 0 32 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.903 114.8 46.1 -61.1 -42.8 14.1 -9.4 33.4 63 65 A L H < S+ 0 0 142 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.788 127.3 28.2 -66.4 -34.5 10.3 -10.1 34.0 64 66 A N S >< S+ 0 0 63 -4,-1.6 3,-3.7 -5,-0.2 18,-0.3 -0.526 70.3 171.4-126.7 66.5 10.6 -13.8 32.8 65 67 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.711 83.0 45.9 -54.1 -24.6 14.2 -14.8 33.7 66 68 A D T 3 S- 0 0 107 1,-0.2 -5,-0.1 -3,-0.1 15,-0.0 0.298 122.9 -99.8-103.0 12.2 13.4 -18.4 32.9 67 69 A G < - 0 0 18 -3,-3.7 2,-0.4 -6,-0.3 14,-0.3 0.182 28.4 -92.0 93.9 154.5 11.6 -17.6 29.7 68 70 A V E -D 80 0A 49 12,-2.1 12,-3.0 -3,-0.1 2,-0.5 -0.871 25.1-131.2-108.6 128.3 8.0 -17.1 28.3 69 71 A T E -D 79 0A 77 -2,-0.4 2,-0.4 10,-0.3 10,-0.2 -0.691 29.4-166.3 -76.2 125.1 5.8 -19.7 26.6 70 72 A M E -D 78 0A 16 8,-2.6 8,-2.5 -2,-0.5 2,-0.1 -0.943 14.7-123.4-117.8 138.0 4.5 -18.3 23.4 71 73 A E E -D 77 0A 170 -2,-0.4 -43,-0.3 6,-0.2 2,-0.3 -0.353 22.9-171.8 -80.6 156.7 1.7 -19.7 21.4 72 74 A L - 0 0 28 4,-2.5 3,-0.5 1,-0.1 4,-0.3 -0.893 39.2 -73.9-137.1 162.3 1.8 -20.7 17.8 73 75 A H S > S+ 0 0 118 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 -0.113 112.2 36.1 -55.9 161.4 -1.0 -21.8 15.4 74 76 A S T 3 S- 0 0 94 1,-0.3 -1,-0.2 2,-0.0 3,-0.1 0.778 131.8 -70.5 63.8 31.0 -2.5 -25.3 15.8 75 77 A G T 3 S+ 0 0 76 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.544 97.7 136.1 66.8 10.0 -2.3 -25.2 19.6 76 78 A R < - 0 0 95 -3,-1.4 -4,-2.5 -4,-0.3 2,-0.3 -0.393 32.1-168.3 -84.7 169.3 1.6 -25.5 19.5 77 79 A E E - D 0 71A 117 -6,-0.2 2,-0.4 -39,-0.1 -31,-0.3 -0.976 14.3-149.7-153.3 161.3 3.9 -23.4 21.7 78 80 A I E - D 0 70A 0 -8,-2.5 -8,-2.6 -2,-0.3 2,-0.7 -0.991 17.8-133.6-140.4 131.1 7.5 -22.5 22.2 79 81 A L E -cD 47 69A 58 -33,-1.9 -31,-3.3 -2,-0.4 2,-0.6 -0.743 26.4-161.2 -84.0 116.7 9.4 -21.6 25.4 80 82 A V E -cD 48 68A 1 -12,-3.0 -12,-2.1 -2,-0.7 2,-0.5 -0.891 9.6-175.4-107.9 117.2 11.4 -18.5 24.6 81 83 A R E -c 49 0A 38 -33,-3.4 -31,-2.0 -2,-0.6 2,-0.4 -0.946 6.8-162.7-115.6 119.7 14.3 -17.6 26.9 82 84 A L E -c 50 0A 9 -2,-0.5 2,-0.4 -18,-0.3 -31,-0.2 -0.875 10.8-138.8-104.4 134.6 16.2 -14.4 26.2 83 85 A I E -c 51 0A 13 -33,-2.7 -31,-2.8 -2,-0.4 2,-1.0 -0.757 1.7-147.0 -94.3 128.0 19.7 -13.6 27.7 84 86 A R - 0 0 122 -2,-0.4 2,-0.1 -33,-0.2 -31,-0.1 -0.827 24.0-166.1 -88.3 100.9 20.7 -10.3 29.1 85 87 A H - 0 0 18 -2,-1.0 47,-0.0 -33,-0.3 3,-0.0 -0.394 38.5 -83.4 -71.7 160.9 24.4 -10.0 28.3 86 88 A D > - 0 0 91 1,-0.1 4,-3.0 -2,-0.1 5,-0.2 -0.565 45.7-131.0 -62.6 125.9 26.7 -7.4 29.9 87 89 A P H > S+ 0 0 105 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.816 104.3 45.1 -57.1 -40.6 26.1 -4.3 27.6 88 90 A A H > S+ 0 0 63 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.903 114.8 49.5 -69.0 -41.3 29.7 -3.4 27.0 89 91 A V H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 113.9 45.8 -61.0 -47.5 30.6 -7.2 26.3 90 92 A F H X S+ 0 0 25 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.915 112.5 49.4 -61.1 -45.9 27.6 -7.5 23.9 91 93 A R H X S+ 0 0 173 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.900 111.4 50.0 -64.0 -39.3 28.4 -4.3 22.1 92 94 A N H X S+ 0 0 49 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.894 110.6 49.1 -64.6 -44.3 32.1 -5.4 21.8 93 95 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.878 108.4 54.4 -59.2 -38.8 31.1 -8.9 20.4 94 96 A Q H < S+ 0 0 60 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.923 110.3 46.5 -65.0 -43.7 28.8 -7.2 17.9 95 97 A N H >< S+ 0 0 75 -4,-2.0 3,-1.2 1,-0.2 6,-0.4 0.896 109.0 55.4 -57.8 -44.4 31.7 -5.1 16.7 96 98 A F H 3< S+ 0 0 7 -4,-2.2 6,-3.5 1,-0.3 7,-0.3 0.792 105.7 52.4 -59.5 -35.8 34.0 -8.2 16.5 97 99 A M T 3< S+ 0 0 20 -4,-1.7 -1,-0.3 4,-0.2 -2,-0.2 0.549 97.9 83.2 -82.4 -7.4 31.5 -9.9 14.2 98 100 A T S X >S- 0 0 15 -3,-1.2 3,-2.4 -4,-0.4 5,-1.8 -0.167 106.5 -82.6 -89.1-173.6 31.4 -7.0 11.6 99 101 A A T 3 5S+ 0 0 23 1,-0.3 -1,-0.1 4,-0.2 -3,-0.1 0.689 121.4 80.1 -67.6 -13.2 33.7 -6.2 8.8 100 102 A N T 3 5S- 0 0 76 -5,-0.3 -1,-0.3 4,-0.0 -4,-0.1 0.874 122.7 -28.3 -57.7 -33.1 35.8 -4.5 11.5 101 103 A L T <>5S+ 0 0 18 -3,-2.4 4,-1.0 -6,-0.4 3,-0.3 0.341 130.5 27.1-145.9 -87.0 36.9 -8.1 12.2 102 104 A M H >5S+ 0 0 0 -6,-3.5 4,-2.3 1,-0.2 5,-0.3 0.808 112.5 60.8 -70.1 -25.4 35.4 -11.6 11.8 103 105 A W H >S+ 0 0 9 -6,-0.7 5,-2.3 -3,-0.3 6,-0.5 0.804 108.4 54.1 -65.2 -30.2 36.1 -9.8 6.9 105 107 A A H ><5S+ 0 0 0 -4,-1.0 3,-0.6 1,-0.2 -2,-0.2 0.948 116.3 32.6 -73.1 -48.3 37.7 -13.2 7.8 106 108 A N H 3<5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.707 122.2 49.9 -78.7 -20.5 34.9 -15.5 6.6 107 109 A N T 3<5S- 0 0 4 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.137 110.5-113.2-109.7 21.2 33.8 -13.2 3.8 108 110 A Y T < 5 + 0 0 81 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.910 63.3 144.7 57.5 51.0 37.2 -12.6 2.2 109 111 A G < + 0 0 57 -5,-2.3 2,-0.4 -6,-0.1 -4,-0.1 0.493 37.9 91.1 -96.0 -4.5 37.6 -8.9 2.8 110 112 A W - 0 0 25 -6,-0.5 3,-0.0 1,-0.1 0, 0.0 -0.775 52.4-159.5-102.8 137.7 41.4 -8.5 3.5 111 113 A D - 0 0 81 -2,-0.4 2,-2.5 1,-0.1 -1,-0.1 0.539 26.8-146.8 -82.5 -6.0 44.2 -7.8 1.0 112 114 A R S S+ 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508 31 B A > - 0 0 27 -17,-2.6 3,-1.0 -2,-0.2 6,-0.2 -0.437 37.8-109.5 -61.5 136.1 37.2 -37.0 -47.2 509 32 B P T 3 S+ 0 0 84 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.328 101.9 33.2 -56.0 147.6 38.5 -34.2 -49.7 510 33 B G T 3 S+ 0 0 25 1,-0.2 -2,-0.1 2,-0.1 230,-0.1 0.511 81.1 149.4 76.0 5.1 35.9 -32.3 -51.6 511 34 B G <> - 0 0 16 -3,-1.0 4,-1.7 1,-0.1 -1,-0.2 -0.320 60.1-115.7 -63.1 157.4 33.4 -32.4 -48.7 512 35 B T H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.946 118.5 50.9 -61.5 -42.7 31.1 -29.4 -48.5 513 36 B G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.891 105.2 58.5 -61.7 -39.2 32.6 -28.4 -45.2 514 37 B N H 4 S+ 0 0 13 1,-0.2 4,-0.5 -6,-0.2 -1,-0.2 0.907 109.6 42.0 -56.5 -45.1 36.1 -28.7 -46.7 515 38 B V H >< S+ 0 0 16 -4,-1.7 3,-1.2 -3,-0.2 4,-0.3 0.881 109.4 55.9 -72.4 -41.8 35.3 -26.1 -49.4 516 39 B V H >< S+ 0 0 1 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.843 102.9 58.8 -59.8 -32.8 33.5 -23.7 -47.1 517 40 B A T 3< S+ 0 0 7 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.696 100.2 56.8 -67.1 -24.8 36.6 -23.6 -44.9 518 41 B E T < S+ 0 0 68 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.480 84.4 114.5 -88.8 -2.2 38.7 -22.4 -47.7 519 42 B Q S X S- 0 0 19 -3,-1.3 3,-1.4 -4,-0.3 -3,-0.0 -0.412 71.3-121.3 -80.5 151.4 36.5 -19.4 -48.4 520 43 B A T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.791 107.2 45.8 -58.0 -47.0 37.7 -15.7 -47.9 521 44 B G T 3 S+ 0 0 60 1,-0.0 2,-0.7 2,-0.0 -1,-0.3 0.514 89.4 113.5 -76.7 0.8 35.1 -14.4 -45.4 522 45 B V < + 0 0 28 -3,-1.4 -40,-0.1 -6,-0.2 3,-0.1 -0.646 32.5 170.1 -89.9 110.2 35.4 -17.6 -43.2 523 46 B L S S- 0 0 126 -42,-1.3 2,-0.3 -2,-0.7 -41,-0.2 0.837 73.5 -27.5 -73.4 -40.1 36.9 -17.3 -39.6 524 47 B N E -r 482 0F 60 -43,-1.4 -41,-2.4 31,-0.0 2,-0.3 -0.967 58.5-147.0-172.1 162.9 36.0 -20.9 -38.6 525 48 B I E -r 483 0F 7 31,-0.4 33,-2.1 -2,-0.3 2,-0.3 -0.994 4.4-162.4-144.6 147.4 33.5 -23.6 -39.3 526 49 B S E -rt 484 558F 10 -43,-1.8 -41,-2.8 -2,-0.3 2,-0.5 -0.962 12.7-151.6-122.6 150.2 31.7 -26.5 -37.5 527 50 B W E -rt 485 559F 8 31,-3.3 33,-3.1 -2,-0.3 2,-0.5 -0.976 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32.5-132.6-151.3 136.6 16.7 -35.3 -61.6 861 384 B G S S- 0 0 3 -2,-0.3 -201,-0.2 24,-0.2 -1,-0.1 0.952 93.3 -43.2 -57.4 -44.2 17.3 -32.5 -59.1 862 385 B Q - 0 0 6 24,-0.2 25,-2.1 -203,-0.1 26,-0.2 0.348 66.7-135.7-140.7 -63.7 20.4 -31.6 -61.2 863 386 B N - 0 0 11 23,-0.1 3,-0.5 22,-0.1 4,-0.3 0.745 9.8-162.5 91.2 90.4 22.5 -34.6 -62.5 864 387 B L S >> S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 3,-1.2 0.748 83.0 71.8 -74.3 -24.5 26.2 -33.9 -62.1 865 388 B S H 3> S+ 0 0 26 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.844 86.8 65.5 -56.8 -33.9 27.2 -36.6 -64.5 866 389 B T H 34 S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.809 110.8 35.1 -66.1 -24.2 25.9 -34.5 -67.3 867 390 B F H <> S+ 0 0 0 -3,-1.2 4,-1.3 -132,-0.4 -2,-0.2 0.845 118.2 50.6 -86.1 -45.3 28.7 -32.0 -66.5 868 391 B E H X S+ 0 0 34 -4,-2.4 4,-1.9 -133,-0.4 5,-0.2 0.906 105.4 54.4 -59.8 -48.1 31.5 -34.4 -65.6 869 392 B A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.917 110.0 43.3 -62.1 -45.9 31.2 -36.8 -68.6 870 393 B P H 4 S+ 0 0 7 0, 0.0 -1,-0.2 0, 0.0 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-27,-3.0 -25,-2.9 -2,-0.5 2,-0.5 -0.897 23.1-172.8 -98.7 123.4 21.5 -36.8 -74.9 881 404 B L E -fg 855 897I 0 15,-2.3 17,-1.8 -2,-0.6 -25,-0.2 -0.962 23.0-125.7-127.1 127.4 19.9 -34.9 -72.0 882 405 B S E > - g 0 898I 0 -27,-2.1 3,-1.5 -2,-0.5 6,-0.3 -0.402 16.2-135.8 -65.9 137.6 16.5 -35.1 -70.6 883 406 B E T 3 S+ 0 0 109 15,-2.4 -1,-0.1 1,-0.3 16,-0.1 0.562 101.6 64.8 -70.0 -11.4 14.6 -31.8 -70.4 884 407 B T T 3 S+ 0 0 30 -27,-0.4 -24,-1.4 14,-0.3 2,-0.3 0.387 77.8 100.1 -96.3 0.2 13.5 -32.7 -66.8 885 408 B C B X S-h 860 0J 3 -3,-1.5 3,-1.5 -26,-0.2 4,-0.5 -0.699 78.2-130.8 -77.7 142.2 17.0 -32.7 -65.4 886 409 B G T > S+ 0 0 2 -26,-1.8 3,-1.6 -2,-0.3 4,-0.4 0.897 107.5 68.0 -56.1 -35.3 17.9 -29.5 -63.4 887 410 B A T >> S+ 0 0 0 -25,-2.1 4,-3.0 1,-0.3 3,-1.3 0.767 83.4 71.6 -57.7 -29.4 21.1 -29.6 -65.6 888 411 B A H <> S+ 0 0 19 -3,-1.5 4,-2.1 -6,-0.3 5,-0.3 0.825 85.0 64.7 -62.1 -29.1 19.1 -28.9 -68.7 889 412 B E H <4 S+ 0 0 82 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.811 118.1 27.9 -62.4 -26.2 18.5 -25.3 -67.7 890 413 B V H <4 S+ 0 0 31 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.794 138.2 21.9-101.2 -39.6 22.2 -24.7 -67.9 891 414 B L H >< S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.1 4,-0.3 0.446 90.5 100.6-110.9 -4.5 23.4 -27.3 -70.6 892 415 B G G >< S+ 0 0 9 -4,-2.1 3,-1.6 -5,-0.4 5,-0.2 0.886 80.7 55.3 -54.5 -41.4 20.2 -28.0 -72.5 893 416 B E G 3 S+ 0 0 160 -5,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.655 110.6 47.5 -62.3 -20.6 21.1 -25.7 -75.4 894 417 B Y G < S+ 0 0 66 -3,-1.8 -1,-0.3 -6,-0.1 2,-0.2 0.272 111.0 51.9-106.8 5.9 24.4 -27.6 -75.8 895 418 B C S < S- 0 0 14 -3,-1.6 2,-0.9 -4,-0.3 -15,-0.2 -0.770 97.8 -89.8-129.9 176.6 23.1 -31.2 -75.8 896 419 B R E -g 880 0I 69 -17,-3.2 -15,-2.3 -2,-0.2 2,-0.4 -0.815 49.7-151.3 -90.9 103.4 20.4 -33.0 -77.6 897 420 B S E +g 881 0I 59 -2,-0.9 2,-0.3 -5,-0.2 -15,-0.2 -0.646 21.2 174.2 -86.1 133.5 17.4 -32.4 -75.3 898 421 B V E -g 882 0I 2 -17,-1.8 -15,-2.4 -2,-0.4 -14,-0.3 -0.892 40.6-107.8-133.6 159.2 14.6 -34.9 -75.2 899 422 B N > - 0 0 49 -2,-0.3 3,-1.6 -17,-0.2 7,-0.2 -0.843 31.3-146.5 -81.2 118.9 11.4 -35.9 -73.5 900 423 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -42,-0.1 0.501 93.8 56.8 -68.4 -13.6 12.4 -38.9 -71.4 901 424 B F T 3 S+ 0 0 109 -43,-0.1 2,-0.8 1,-0.1 -43,-0.0 0.460 87.9 85.9 -95.4 -6.8 9.0 -40.5 -71.9 902 425 B D <> - 0 0 66 -3,-1.6 4,-1.9 1,-0.2 5,-0.2 -0.822 51.7-175.7-102.3 106.2 9.1 -40.6 -75.7 903 426 B L H > S+ 0 0 58 -2,-0.8 4,-2.6 2,-0.2 5,-0.2 0.887 84.6 52.8 -63.1 -39.2 10.9 -43.6 -77.1 904 427 B V H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 109.2 46.7 -65.0 -46.0 10.7 -42.4 -80.6 905 428 B E H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 115.0 47.7 -61.1 -42.4 12.1 -39.1 -80.0 906 429 B Q H X S+ 0 0 4 -4,-1.9 4,-2.1 -7,-0.2 -2,-0.2 0.914 111.1 50.9 -68.3 -36.2 15.0 -40.6 -78.0 907 430 B A H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.922 110.4 48.6 -65.3 -43.6 15.6 -43.2 -80.7 908 431 B E H X S+ 0 0 128 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.857 110.5 52.8 -64.9 -33.7 15.8 -40.6 -83.4 909 432 B A H X S+ 0 0 13 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.909 107.7 50.2 -69.6 -36.2 18.2 -38.6 -81.2 910 433 B I H X S+ 0 0 2 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.927 112.2 47.9 -65.1 -45.9 20.5 -41.6 -80.8 911 434 B S H X S+ 0 0 40 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.912 112.9 47.1 -59.7 -47.5 20.5 -42.2 -84.6 912 435 B A H X S+ 0 0 43 -4,-2.2 4,-1.5 1,-0.2 3,-0.4 0.882 110.7 52.8 -62.1 -41.6 21.2 -38.5 -85.4 913 436 B A H < S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.845 112.1 45.2 -63.3 -34.7 24.0 -38.4 -82.7 914 437 B L H < S+ 0 0 12 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.546 113.0 50.5 -88.2 -10.4 25.7 -41.4 -84.3 915 438 B A H < S+ 0 0 83 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.684 84.9 109.4 -94.5 -21.6 25.4 -40.2 -87.8 916 439 B A S < S- 0 0 16 -4,-1.5 -3,-0.0 -5,-0.1 -4,-0.0 -0.200 74.6-107.4 -59.2 142.5 26.9 -36.7 -87.1 917 440 B G > - 0 0 36 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.271 22.8-112.1 -72.3 158.8 30.3 -36.0 -88.6 918 441 B P H > S+ 0 0 92 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.853 115.0 51.2 -59.2 -40.0 33.5 -35.8 -86.5 919 442 B R H > S+ 0 0 184 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.917 111.0 46.0 -64.5 -48.6 33.9 -32.0 -87.2 920 443 B Q H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.892 114.4 49.8 -60.0 -39.1 30.4 -31.0 -86.1 921 444 B R H X S+ 0 0 53 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.910 110.2 49.9 -69.1 -36.7 30.7 -33.3 -83.0 922 445 B A H X S+ 0 0 31 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.941 111.9 47.5 -66.7 -44.1 34.0 -31.7 -82.0 923 446 B E H X S+ 0 0 119 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.883 114.7 46.3 -64.6 -39.8 32.7 -28.1 -82.4 924 447 B A H X S+ 0 0 24 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.875 110.5 53.2 -69.4 -36.6 29.5 -28.9 -80.4 925 448 B A H X S+ 0 0 5 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.904 105.9 53.2 -65.8 -39.0 31.6 -30.7 -77.7 926 449 B A H X S+ 0 0 38 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.923 111.1 45.9 -62.4 -46.5 33.9 -27.7 -77.3 927 450 B R H X S+ 0 0 128 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.888 111.3 54.4 -61.5 -40.7 30.9 -25.4 -76.7 928 451 B R H X S+ 0 0 5 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.909 109.1 46.9 -57.5 -42.7 29.5 -28.0 -74.3 929 452 B R H X S+ 0 0 67 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.876 110.3 52.2 -67.4 -38.1 32.6 -28.0 -72.2 930 453 B D H < S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.867 110.8 48.6 -67.6 -35.6 32.9 -24.3 -72.1 931 454 B A H < S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.803 116.6 42.3 -71.2 -36.8 29.3 -24.1 -70.9 932 455 B A H >< S+ 0 0 0 -4,-1.7 3,-1.6 -5,-0.2 -2,-0.2 0.840 97.4 76.2 -74.1 -38.3 29.9 -26.8 -68.2 933 456 B R T 3< S+ 0 0 112 -4,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.772 87.1 56.3 -55.1 -40.1 33.3 -25.6 -66.9 934 457 B P T 3 S+ 0 0 82 0, 0.0 2,-1.9 0, 0.0 -1,-0.3 0.690 84.8 86.0 -66.4 -20.7 32.3 -22.6 -64.7 935 458 B W < + 0 0 85 -3,-1.6 -199,-1.6 -4,-0.2 -200,-1.4 -0.411 62.0 154.5 -85.6 66.6 29.9 -24.5 -62.6 936 459 B T B > -b 736 0H 28 -2,-1.9 4,-2.2 -201,-0.2 -199,-0.2 -0.429 57.9-110.4 -88.3 168.3 32.3 -25.8 -60.0 937 460 B L H > S+ 0 0 17 -201,-1.4 4,-2.2 1,-0.2 5,-0.2 0.877 119.4 52.2 -62.9 -39.8 31.7 -26.8 -56.4 938 461 B E H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.899 108.2 50.8 -66.0 -41.4 33.6 -23.8 -55.2 939 462 B A H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.919 109.8 50.5 -60.2 -40.8 31.5 -21.4 -57.3 940 463 B W H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.915 110.1 49.3 -65.5 -43.7 28.3 -23.0 -56.0 941 464 B V H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.934 110.8 51.6 -61.3 -41.8 29.6 -22.5 -52.3 942 465 B Q H X S+ 0 0 79 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.915 107.6 52.6 -58.3 -41.4 30.4 -18.9 -53.2 943 466 B A H X S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.881 106.4 53.6 -63.2 -40.4 26.9 -18.4 -54.6 944 467 B Q H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.947 112.8 41.4 -60.4 -49.2 25.4 -19.7 -51.4 945 468 B L H X S+ 0 0 34 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.926 117.9 46.0 -67.1 -45.6 27.3 -17.3 -49.1 946 469 B D H X S+ 0 0 113 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.944 115.7 46.9 -61.1 -46.0 26.9 -14.2 -51.4 947 470 B G H X S+ 0 0 4 -4,-2.6 4,-2.8 -5,-0.3 5,-0.3 0.955 113.2 48.5 -64.5 -46.7 23.2 -15.0 -51.9 948 471 B L H X S+ 0 0 4 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.851 110.6 51.4 -57.8 -39.0 22.7 -15.5 -48.2 949 472 B A H X S+ 0 0 62 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.935 111.3 47.7 -67.4 -41.6 24.5 -12.3 -47.3 950 473 B A H X S+ 0 0 52 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.939 115.1 45.2 -62.6 -47.2 22.3 -10.3 -49.7 951 474 B D H X S+ 0 0 3 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.811 109.5 54.3 -67.3 -30.9 19.2 -11.9 -48.4 952 475 B H H X S+ 0 0 43 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.937 109.6 49.0 -70.6 -38.1 20.2 -11.4 -44.8 953 476 B A H X S+ 0 0 61 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.953 114.6 45.5 -59.6 -52.7 20.7 -7.7 -45.6 954 477 B A H X S+ 0 0 31 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.758 112.4 49.7 -61.0 -32.7 17.3 -7.5 -47.2 955 478 B R H < S+ 0 0 46 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.913 112.2 48.2 -81.5 -38.7 15.5 -9.4 -44.5 956 479 B T H < S+ 0 0 96 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.958 112.7 46.8 -58.8 -53.5 17.0 -7.2 -41.8 957 480 B A H < 0 0 90 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.821 360.0 360.0 -60.3 -30.9 16.1 -4.0 -43.7 958 481 B T < 0 0 119 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.489 360.0 360.0-101.7 360.0 12.5 -5.3 -44.3