==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAY-12 4F97 . COMPND 2 MOLECULE: VLDE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES HYGROSCOPICUS SUBSP. LIMO . AUTHOR M.C.CAVALIER,Y.-S.YIM,S.ASAMIZU,D.NEAU,K.H.ALMABRUK,T.MAHMUD . 942 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 4.4 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 . 1 0.1 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 . 1 0.1 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 . 67 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 35.5 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 4 4 1 1 4 2 3 3 0 4 2 2 0 0 0 1 0 3 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 6 6 4 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 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 2,-0.1 0.000 360.0 360.0 360.0 92.8 36.5 -20.8 -11.7 2 4 A S E -a 43 0A 47 40,-1.3 42,-2.3 42,-0.1 43,-1.2 -0.391 360.0-135.7 -70.4 138.8 34.5 -20.6 -8.5 3 5 A E E -ab 45 150A 53 146,-0.6 148,-2.7 41,-0.2 2,-0.4 -0.873 27.3-155.2 -96.7 116.4 31.4 -22.8 -8.1 4 6 A I E -ab 46 151A 2 41,-2.8 43,-2.2 -2,-0.7 2,-0.5 -0.739 15.2-166.0-101.2 139.1 28.8 -20.6 -6.5 5 7 A F E -ab 47 152A 10 146,-3.3 148,-2.4 -2,-0.4 2,-0.4 -0.921 11.5-168.7-124.2 107.0 25.8 -21.7 -4.4 6 8 A L E -ab 48 153A 2 41,-2.9 43,-3.2 -2,-0.5 2,-0.4 -0.784 3.3-173.4 -97.6 134.2 23.1 -19.0 -3.9 7 9 A A E +ab 49 154A 1 146,-2.4 148,-3.1 -2,-0.4 2,-0.3 -0.989 14.6 148.4-127.2 139.5 20.3 -19.4 -1.4 8 10 A S E - b 0 155A 18 41,-2.0 43,-0.4 -2,-0.4 148,-0.1 -0.966 52.7-109.9-159.0 157.2 17.3 -17.2 -0.8 9 11 A K S S+ 0 0 41 146,-0.5 42,-3.5 -2,-0.3 2,-0.4 0.938 102.9 32.4 -55.8 -51.1 13.7 -17.6 0.3 10 12 A R - 0 0 123 40,-0.2 2,-0.5 -3,-0.1 -1,-0.1 -0.874 62.1-161.3-114.3 142.4 12.2 -16.8 -3.1 11 13 A A - 0 0 1 40,-0.4 2,-0.5 -2,-0.4 39,-0.1 -0.953 31.7-122.8-120.0 109.2 13.6 -17.4 -6.6 12 14 A A + 0 0 48 -2,-0.5 17,-1.9 17,-0.1 2,-0.4 -0.304 44.5 167.5 -59.5 107.3 11.8 -15.1 -9.1 13 15 A I E -J 28 0B 22 -2,-0.5 2,-0.5 15,-0.2 15,-0.2 -0.958 27.8-145.1-125.6 142.3 10.3 -17.5 -11.6 14 16 A T E -J 27 0B 43 13,-2.7 13,-2.0 -2,-0.4 2,-0.5 -0.918 12.5-166.2-107.9 123.8 7.8 -16.9 -14.4 15 17 A Y E +J 26 0B 60 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.941 31.5 119.8-112.3 120.5 5.3 -19.7 -15.3 16 18 A D E -J 25 0B 51 9,-2.9 9,-6.2 -2,-0.5 2,-0.4 -0.895 56.4 -93.9-158.0-176.6 3.3 -19.4 -18.5 17 19 A T E -J 24 0B 86 7,-0.3 6,-0.2 -2,-0.3 -2,-0.0 -0.916 44.1-102.1-112.6 136.0 2.6 -21.0 -21.8 18 20 A D > - 0 0 42 5,-3.9 4,-2.1 -2,-0.4 5,-0.0 -0.370 27.9-137.6 -47.9 131.0 4.4 -20.2 -25.0 19 21 A P T 4 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.726 100.0 40.4 -69.6 -21.2 2.1 -18.0 -27.1 20 22 A A T 4 S+ 0 0 92 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.885 131.1 21.3 -91.1 -48.7 2.9 -19.9 -30.3 21 23 A T T 4 S- 0 0 80 2,-0.1 -3,-0.0 0, 0.0 -1,-0.0 0.673 89.5-132.6 -94.5 -20.8 3.0 -23.5 -29.2 22 24 A G < + 0 0 43 -4,-2.1 3,-0.1 1,-0.3 0, 0.0 0.419 55.7 148.8 77.4 -2.2 0.9 -23.3 -26.0 23 25 A E - 0 0 124 -6,-0.2 -5,-3.9 1,-0.1 -1,-0.3 -0.363 56.4 -98.8 -64.7 142.8 3.7 -25.3 -24.3 24 26 A P E -J 17 0B 110 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.386 42.2-160.3 -67.4 134.7 4.3 -24.6 -20.5 25 27 A R E -J 16 0B 97 -9,-6.2 -9,-2.9 -2,-0.1 2,-0.4 -0.963 18.3-177.5-123.9 135.2 7.2 -22.2 -19.8 26 28 A A E +J 15 0B 52 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.984 20.0 165.4-125.9 118.6 9.3 -21.6 -16.7 27 29 A W E -J 14 0B 105 -13,-2.0 -13,-2.7 -2,-0.4 2,-0.1 -0.993 37.7-108.3-137.7 143.4 11.9 -18.8 -17.1 28 30 A L E -J 13 0B 13 -2,-0.4 -15,-0.2 43,-0.3 -16,-0.1 -0.413 39.3-109.8 -66.5 138.7 14.0 -16.9 -14.7 29 31 A A > - 0 0 26 -17,-1.9 3,-0.9 -2,-0.1 6,-0.2 -0.496 38.1-112.0 -67.2 135.2 13.1 -13.2 -14.2 30 32 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.330 97.4 33.2 -69.2 150.0 15.7 -10.8 -15.7 31 33 A G T 3 S+ 0 0 25 1,-0.2 229,-0.1 2,-0.0 -2,-0.1 0.545 84.5 151.6 81.5 8.2 17.8 -8.7 -13.4 32 34 A G <> - 0 0 16 -3,-0.9 4,-2.2 1,-0.1 -1,-0.2 -0.286 58.4-118.2 -69.5 156.9 17.8 -11.3 -10.7 33 35 A T H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 116.6 51.6 -62.3 -41.1 20.7 -11.7 -8.3 34 36 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.897 108.7 50.6 -62.8 -41.2 21.4 -15.1 -9.6 35 37 A N H > S+ 0 0 12 -6,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.905 112.0 47.6 -63.2 -42.2 21.5 -13.9 -13.1 36 38 A V H >< S+ 0 0 14 -4,-2.2 3,-0.8 1,-0.2 4,-0.5 0.888 109.0 53.2 -64.5 -41.4 23.9 -11.1 -12.2 37 39 A V H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 6,-0.3 0.881 102.1 59.3 -62.5 -39.3 26.2 -13.5 -10.3 38 40 A A H 3< S+ 0 0 14 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 99.8 59.2 -62.4 -24.4 26.5 -15.8 -13.3 39 41 A E T << S+ 0 0 91 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.611 78.4 108.4 -83.6 -13.6 27.9 -12.9 -15.3 40 42 A Q S < S- 0 0 17 -3,-1.3 3,-0.3 -4,-0.5 -3,-0.0 -0.363 73.9-127.4 -67.0 145.9 30.9 -12.2 -13.1 41 43 A A S S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.0 -3,-0.0 0.872 105.1 55.4 -63.8 -40.4 34.3 -13.3 -14.6 42 44 A G S S+ 0 0 48 -41,-0.1 -40,-1.3 2,-0.0 2,-0.3 0.857 86.6 97.7 -60.3 -36.6 35.4 -15.4 -11.6 43 45 A V E +a 2 0A 20 -3,-0.3 -40,-0.2 -6,-0.3 3,-0.1 -0.364 42.7 177.8 -67.4 120.5 32.2 -17.6 -11.6 44 46 A L E S- 0 0 117 -42,-2.3 2,-0.3 1,-0.4 -41,-0.2 0.894 72.1 -20.7 -81.3 -48.3 32.5 -20.9 -13.4 45 47 A N E -a 3 0A 70 -43,-1.2 -41,-2.8 31,-0.1 2,-0.4 -0.982 60.0-147.6-157.8 163.4 28.9 -22.0 -12.6 46 48 A I E -a 4 0A 5 31,-0.5 33,-2.0 -2,-0.3 2,-0.4 -0.999 4.2-165.2-141.6 138.5 26.1 -21.3 -10.2 47 49 A S E -ac 5 79A 9 -43,-2.2 -41,-2.9 -2,-0.4 2,-0.5 -0.946 13.2-151.6-113.0 147.8 23.2 -23.0 -8.5 48 50 A W E -ac 6 80A 14 31,-3.8 33,-3.1 -2,-0.4 2,-0.5 -0.962 7.5-168.3-122.2 117.8 20.2 -21.3 -6.9 49 51 A I E +ac 7 81A 0 -43,-3.2 -41,-2.0 -2,-0.5 2,-0.2 -0.915 22.2 149.0-106.1 126.5 18.3 -22.8 -4.0 50 52 A A E - c 0 82A 0 31,-1.7 33,-2.7 -2,-0.5 2,-0.3 -0.841 44.2 -83.8-144.2-179.6 15.0 -21.3 -2.9 51 53 A S E - c 0 83A 1 -42,-3.5 2,-0.7 -43,-0.4 -40,-0.4 -0.672 30.1-128.3 -93.1 139.7 11.5 -22.1 -1.4 52 54 A A + 0 0 15 31,-2.7 33,-0.3 -2,-0.3 -42,-0.1 -0.806 39.5 158.7 -81.5 116.2 8.6 -23.3 -3.3 53 55 A D + 0 0 75 -2,-0.7 2,-0.3 31,-0.1 -1,-0.1 0.382 55.4 60.0-120.9 -0.4 5.7 -21.0 -2.3 54 56 A S S > S- 0 0 40 1,-0.1 4,-2.4 0, 0.0 5,-0.1 -0.874 84.4-116.9-122.5 164.4 3.4 -21.6 -5.3 55 57 A E H > S+ 0 0 87 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.897 119.4 52.9 -62.2 -40.2 1.6 -24.6 -6.8 56 58 A D H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 107.8 50.4 -59.3 -42.2 3.7 -24.1 -9.9 57 59 A D H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.922 110.5 51.6 -61.9 -43.2 6.9 -24.1 -7.8 58 60 A R H X S+ 0 0 103 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.943 109.3 46.5 -61.3 -49.3 5.7 -27.3 -6.2 59 61 A R H X S+ 0 0 126 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.899 112.2 52.5 -61.9 -40.4 5.1 -29.2 -9.4 60 62 A A H X S+ 0 0 28 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.897 108.5 50.1 -62.6 -41.5 8.4 -28.0 -10.8 61 63 A S H < S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.908 109.7 50.0 -63.6 -43.9 10.2 -29.3 -7.7 62 64 A A H < S+ 0 0 43 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 114.2 45.9 -63.7 -34.8 8.6 -32.7 -7.9 63 65 A L H < S+ 0 0 125 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.818 128.9 24.6 -78.4 -32.7 9.5 -33.0 -11.6 64 66 A N < + 0 0 75 -4,-2.2 18,-0.3 -5,-0.2 -1,-0.2 -0.570 68.8 157.4-133.6 72.2 13.1 -31.8 -11.1 65 67 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.867 78.3 51.0 -63.2 -42.8 14.1 -32.5 -7.5 66 68 A D S S- 0 0 115 1,-0.3 2,-0.2 15,-0.0 -2,-0.1 0.889 128.3 -86.9 -63.1 -39.6 17.8 -32.5 -8.1 67 69 A G - 0 0 13 -6,-0.1 2,-0.4 14,-0.0 -1,-0.3 -0.802 33.6-100.3 152.8 175.1 17.3 -29.2 -9.8 68 70 A V E -D 80 0A 36 12,-2.0 12,-3.6 -2,-0.2 2,-1.4 -0.988 21.8-133.6-127.4 131.3 16.4 -27.5 -13.1 69 71 A T E -D 79 0A 83 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.664 29.1-168.7 -84.2 92.6 18.8 -26.0 -15.6 70 72 A M E -D 78 0A 13 8,-1.7 8,-1.8 -2,-1.4 2,-0.2 -0.585 19.7-119.3 -79.7 141.9 17.1 -22.7 -16.3 71 73 A E E -D 77 0A 163 -2,-0.2 -43,-0.3 6,-0.2 2,-0.3 -0.603 26.6-172.3 -89.3 142.9 18.6 -20.7 -19.3 72 74 A L E >> -D 76 0A 27 4,-1.4 3,-0.7 -2,-0.2 4,-0.6 -0.827 33.9 -89.4-123.8 169.2 20.2 -17.2 -19.4 73 75 A H G >4 S+ 0 0 176 -2,-0.3 3,-1.9 1,-0.2 -1,-0.2 -0.017 109.3 40.8 -65.6 168.4 21.4 -15.0 -22.2 74 76 A S G 34 S- 0 0 104 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.724 132.6 -76.9 62.3 21.3 24.9 -15.2 -23.5 75 77 A G G <4 S+ 0 0 76 -3,-0.7 2,-0.5 1,-0.2 -1,-0.3 0.860 91.7 146.3 58.3 36.7 24.4 -19.0 -23.1 76 78 A R E << - D 0 72A 95 -3,-1.9 -4,-1.4 -4,-0.6 2,-0.4 -0.928 31.8-159.4-106.8 126.5 24.8 -18.8 -19.4 77 79 A E E - D 0 71A 120 -2,-0.5 2,-0.5 -6,-0.2 -31,-0.5 -0.891 7.5-159.1-114.0 133.0 22.7 -21.3 -17.5 78 80 A I E - D 0 70A 0 -8,-1.8 -8,-1.7 -2,-0.4 2,-0.5 -0.943 17.8-134.4-110.4 126.4 21.7 -21.1 -13.8 79 81 A L E -cD 47 69A 54 -33,-2.0 -31,-3.8 -2,-0.5 2,-0.5 -0.681 22.6-161.6 -79.2 123.1 20.7 -24.2 -12.0 80 82 A V E -cD 48 68A 5 -12,-3.6 -12,-2.0 -2,-0.5 2,-0.6 -0.924 10.2-176.4-116.3 117.8 17.5 -23.6 -10.0 81 83 A R E -c 49 0A 30 -33,-3.1 -31,-1.7 -2,-0.5 2,-0.3 -0.929 9.7-158.3-117.1 109.9 16.5 -26.0 -7.2 82 84 A L E -c 50 0A 12 -2,-0.6 2,-0.5 -18,-0.3 -31,-0.2 -0.678 13.0-135.8 -88.0 137.1 13.1 -25.3 -5.4 83 85 A I E -c 51 0A 15 -33,-2.7 -31,-2.7 -2,-0.3 2,-1.0 -0.795 3.3-150.9 -96.5 127.7 12.6 -26.7 -1.9 84 86 A R - 0 0 118 -2,-0.5 2,-0.1 -33,-0.2 -31,-0.1 -0.827 22.8-171.4 -94.7 97.6 9.3 -28.4 -1.0 85 87 A H - 0 0 17 -2,-1.0 47,-0.1 -33,-0.3 46,-0.0 -0.425 41.1 -83.6 -76.9 159.3 9.0 -27.7 2.7 86 88 A D > - 0 0 90 1,-0.1 4,-3.1 -2,-0.1 5,-0.2 -0.538 44.4-131.1 -58.9 128.0 6.3 -29.4 4.8 87 89 A P H > S+ 0 0 78 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.833 103.0 50.0 -59.2 -38.4 3.3 -27.1 4.2 88 90 A A H > S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.921 115.0 44.5 -67.2 -42.9 2.4 -26.6 7.9 89 91 A V H > S+ 0 0 15 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.942 111.5 53.5 -65.0 -48.6 5.9 -25.8 8.8 90 92 A F H X S+ 0 0 16 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.912 110.0 46.7 -52.9 -50.7 6.3 -23.5 5.8 91 93 A R H X S+ 0 0 164 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.815 111.9 49.5 -62.6 -37.6 3.2 -21.4 6.7 92 94 A N H X S+ 0 0 45 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.943 109.8 51.6 -66.8 -45.3 4.1 -21.1 10.3 93 95 A V H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.903 106.8 54.5 -56.6 -42.5 7.6 -19.9 9.4 94 96 A Q H X S+ 0 0 34 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.908 109.5 47.4 -52.7 -44.8 5.9 -17.4 7.1 95 97 A N H < S+ 0 0 66 -4,-1.8 6,-0.5 2,-0.2 3,-0.3 0.857 110.2 52.8 -63.6 -36.5 4.0 -16.2 10.1 96 98 A F H < S+ 0 0 1 -4,-2.7 6,-4.5 1,-0.2 7,-0.3 0.936 112.0 44.4 -62.9 -48.6 7.3 -16.1 12.2 97 99 A M H < S+ 0 0 10 -4,-2.2 -1,-0.2 4,-0.2 -2,-0.2 0.503 102.2 93.8 -64.6 -12.4 8.9 -14.0 9.6 98 100 A T S ><>S- 0 0 3 -4,-0.5 3,-3.1 -3,-0.3 5,-1.0 -0.318 102.6 -92.7 -81.4 168.0 5.7 -11.8 9.4 99 101 A A T 3 5S+ 0 0 6 1,-0.3 5,-0.3 4,-0.2 -1,-0.1 0.789 121.5 80.4 -56.5 -13.2 5.2 -8.6 11.5 100 102 A N T 3 5S- 0 0 73 -5,-0.2 -1,-0.3 3,-0.1 -4,-0.1 0.858 120.3 -22.4 -59.2 -36.2 3.6 -11.0 13.9 101 103 A L T <>5S+ 0 0 12 -3,-3.1 4,-1.7 -6,-0.5 3,-0.2 0.369 131.5 28.7-134.5 -85.9 7.2 -11.8 14.9 102 104 A M H >5S+ 0 0 3 -6,-4.5 4,-1.7 1,-0.2 5,-0.3 0.833 116.3 56.1 -63.4 -33.6 10.6 -11.4 13.2 103 105 A W H >S+ 0 0 1 -6,-0.5 5,-1.9 -5,-0.3 6,-0.5 0.865 111.6 55.1 -61.3 -31.5 8.6 -6.5 14.3 105 107 A A H <5S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 117.5 29.0 -72.7 -38.0 11.9 -7.5 15.8 106 108 A N H <5S+ 0 0 4 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.665 124.3 48.6 -97.9 -14.7 14.3 -6.2 13.1 107 109 A N T <5S- 0 0 1 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.1 0.069 108.0-114.8-118.6 24.0 12.1 -3.3 11.9 108 110 A Y T 5 + 0 0 7 -4,-0.3 477,-0.4 -3,-0.2 -3,-0.2 0.900 62.0 143.4 52.6 63.7 11.2 -1.8 15.2 109 111 A G < + 0 0 9 -5,-1.9 2,-0.4 475,-0.1 -4,-0.1 0.449 41.4 95.2-109.6 3.5 7.4 -2.3 15.5 110 112 A W - 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0 0 0 -2,-0.3 3,-1.6 -17,-0.2 7,-0.2 -0.766 34.3-145.5 -73.3 116.0 12.9 -11.4 30.0 888 423 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -42,-0.1 0.580 92.9 56.8 -69.0 -7.4 9.9 -9.3 31.0 889 424 B F T 3 S+ 0 0 5 -698,-0.2 -771,-2.4 -43,-0.1 2,-0.8 0.449 86.1 86.6 -96.7 -7.7 8.3 -9.8 27.5 890 425 B D B <> -k 118 0C 8 -3,-1.6 4,-2.2 -773,-0.2 5,-0.2 -0.840 51.5-175.3-102.2 103.7 8.2 -13.6 27.6 891 426 B L H > S+ 0 0 20 -773,-1.7 4,-3.0 -2,-0.8 5,-0.2 0.894 85.6 54.0 -65.6 -36.8 5.1 -14.9 29.3 892 427 B V H > S+ 0 0 17 -774,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.934 109.2 45.3 -63.2 -48.5 6.3 -18.5 29.0 893 428 B E H > S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.924 115.9 47.7 -62.8 -44.5 9.7 -17.8 30.7 894 429 B Q H X S+ 0 0 3 -4,-2.2 4,-1.8 -7,-0.2 -2,-0.2 0.865 110.1 52.2 -65.0 -39.3 8.0 -15.8 33.5 895 430 B A H X S+ 0 0 9 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.956 109.9 49.3 -57.1 -49.7 5.3 -18.6 34.0 896 431 B E H X S+ 0 0 97 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.837 109.3 52.1 -59.2 -32.5 8.1 -21.1 34.3 897 432 B A H X S+ 0 0 12 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.858 108.5 50.3 -72.9 -36.7 9.9 -19.0 36.8 898 433 B I H X S+ 0 0 2 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.915 113.2 46.3 -65.4 -45.3 6.7 -18.6 38.9 899 434 B S H X S+ 0 0 41 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.955 115.7 45.4 -63.6 -47.3 6.2 -22.4 38.9 900 435 B A H X S+ 0 0 39 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.895 111.1 52.0 -63.6 -42.2 9.8 -23.1 39.8 901 436 B A H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 115.5 42.0 -62.9 -35.3 10.0 -20.4 42.5 902 437 B L H < S+ 0 0 10 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.778 112.4 53.6 -82.7 -29.4 7.0 -21.9 44.2 903 438 B A H < S+ 0 0 83 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.778 86.3 108.0 -74.6 -25.6 8.0 -25.5 43.7 904 439 B A S < S- 0 0 15 -4,-1.7 -38,-0.1 -5,-0.2 -3,-0.0 -0.169 74.0-114.1 -59.0 142.7 11.4 -24.8 45.4 905 440 B G > - 0 0 31 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.276 22.2-106.5 -79.7 167.3 11.8 -26.3 48.9 906 441 B P H > S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.843 117.2 48.5 -61.7 -41.9 12.2 -24.4 52.2 907 442 B R H > S+ 0 0 200 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.894 112.7 47.4 -64.6 -42.9 15.9 -25.1 52.6 908 443 B Q H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.926 115.1 45.7 -65.3 -44.3 16.8 -24.0 49.0 909 444 B R H X S+ 0 0 54 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.919 110.7 54.2 -63.3 -42.8 14.7 -20.8 49.3 910 445 B A H X S+ 0 0 33 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.926 111.8 43.5 -59.8 -46.1 16.1 -20.1 52.7 911 446 B E H X S+ 0 0 123 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.882 114.1 49.9 -67.8 -37.9 19.7 -20.3 51.4 912 447 B A H X S+ 0 0 32 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.909 109.5 52.7 -68.3 -39.8 19.0 -18.3 48.3 913 448 B A H X S+ 0 0 5 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.824 107.0 51.1 -64.0 -35.2 17.3 -15.6 50.3 914 449 B A H X S+ 0 0 34 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.903 112.2 46.6 -71.6 -38.4 20.3 -15.2 52.6 915 450 B R H X S+ 0 0 133 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.918 113.4 50.9 -63.0 -40.6 22.5 -14.8 49.6 916 451 B R H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.937 110.2 47.9 -63.0 -50.2 20.0 -12.3 48.1 917 452 B R H X S+ 0 0 66 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.877 110.2 52.0 -60.3 -41.4 19.9 -10.3 51.3 918 453 B D H < S+ 0 0 93 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.854 110.4 48.5 -66.0 -35.2 23.7 -10.1 51.5 919 454 B A H < S+ 0 0 15 -4,-1.8 4,-0.3 -5,-0.2 -2,-0.2 0.897 117.9 41.6 -69.7 -37.9 23.9 -8.9 47.9 920 455 B A H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.902 98.8 74.9 -71.1 -41.4 21.3 -6.2 48.5 921 456 B R T 3< S+ 0 0 108 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.751 88.2 54.5 -53.0 -43.0 22.4 -5.0 52.0 922 457 B P T 3 S+ 0 0 81 0, 0.0 2,-2.2 0, 0.0 -1,-0.3 0.743 85.0 87.3 -63.6 -25.8 25.5 -2.9 51.1 923 458 B W < + 0 0 86 -3,-1.7 -194,-1.7 -4,-0.3 -195,-1.5 -0.399 63.2 159.3 -80.3 70.3 23.7 -0.7 48.6 924 459 B T B > -d 729 0J 28 -2,-2.2 4,-2.1 -196,-0.2 -194,-0.2 -0.552 56.0-113.3 -95.7 155.9 22.4 1.9 51.0 925 460 B L H > S+ 0 0 15 -196,-2.1 4,-2.4 1,-0.2 3,-0.3 0.951 117.8 53.4 -42.6 -54.8 21.3 5.5 50.4 926 461 B E H > S+ 0 0 89 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.870 106.5 49.0 -55.7 -44.2 24.4 6.7 52.4 927 462 B A H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.903 110.4 54.5 -61.0 -35.2 26.9 4.7 50.4 928 463 B W H X S+ 0 0 5 -4,-2.1 4,-2.3 -3,-0.3 -2,-0.2 0.936 108.2 47.0 -65.3 -45.9 25.2 6.1 47.3 929 464 B V H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.948 112.6 50.2 -61.0 -48.1 25.7 9.7 48.5 930 465 B Q H X S+ 0 0 75 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.912 107.1 55.0 -55.4 -43.7 29.3 9.0 49.4 931 466 B A H X S+ 0 0 39 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.926 108.8 48.2 -56.4 -47.2 29.8 7.5 45.9 932 467 B Q H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.926 112.5 47.4 -56.7 -50.0 28.6 10.8 44.3 933 468 B L H X S+ 0 0 29 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.935 117.5 41.6 -59.9 -48.4 30.8 13.0 46.5 934 469 B D H X S+ 0 0 112 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.893 115.5 48.8 -66.2 -43.5 33.9 10.9 45.9 935 470 B G H X S+ 0 0 4 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.932 114.2 47.2 -66.6 -42.4 33.3 10.3 42.2 936 471 B L H X S+ 0 0 4 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.952 110.9 50.4 -60.6 -51.1 32.6 14.0 41.7 937 472 B A H X S+ 0 0 64 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.941 113.8 46.7 -53.2 -47.9 35.7 15.1 43.7 938 473 B A H X S+ 0 0 52 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.853 112.9 47.4 -65.0 -35.4 37.8 12.7 41.6 939 474 B D H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.835 107.1 58.5 -78.6 -28.4 36.3 13.8 38.3 940 475 B H H X S+ 0 0 46 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.938 105.5 48.9 -63.8 -45.5 36.8 17.5 39.2 941 476 B A H X S+ 0 0 61 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.934 113.4 47.4 -55.5 -49.1 40.6 16.9 39.7 942 477 B A H X S+ 0 0 32 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.911 114.2 46.0 -61.1 -42.5 40.7 15.2 36.3 943 478 B R H < S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.912 113.0 50.3 -69.4 -38.5 38.7 17.9 34.6 944 479 B T H < S+ 0 0 98 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.802 112.3 49.6 -66.3 -30.1 40.8 20.6 36.3 945 480 B A H < 0 0 83 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.822 360.0 360.0 -83.2 -33.3 43.9 18.8 35.1 946 481 B T < 0 0 124 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.255 360.0 360.0 -99.6 360.0 43.0 18.4 31.5