==== 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 18-MAR-04 1VD6 . COMPND 2 MOLECULE: GLYCEROPHOSPHORYL DIESTER PHOSPHODIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.ISHIJIMA,K.YUTANI,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INI . 218 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.1 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 1 0 1 0 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 3 0 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 . 1 1 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 . 1 0 0 0 0 0 0 0 0 0 1 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 7 A R 0 0 103 0, 0.0 3,-0.1 0, 0.0 216,-0.1 0.000 360.0 360.0 360.0 162.0 41.2 50.0 17.8 2 8 A P - 0 0 35 0, 0.0 202,-0.3 0, 0.0 2,-0.2 -0.273 360.0-105.1 -55.8 135.3 43.8 49.2 15.2 3 9 A L E -a 204 0A 40 200,-2.7 202,-2.5 1,-0.1 2,-0.7 -0.432 25.6-152.4 -67.0 132.9 43.6 45.6 14.0 4 10 A R E -a 205 0A 44 200,-0.2 27,-1.7 -2,-0.2 28,-1.1 -0.925 22.6-172.7-108.3 106.0 46.3 43.4 15.3 5 11 A L E -ab 206 32A 0 200,-2.9 202,-2.4 -2,-0.7 2,-0.6 -0.881 23.0-131.5-112.9 131.9 46.7 40.6 12.7 6 12 A G E > -ab 207 33A 0 26,-2.6 28,-2.7 -2,-0.4 3,-1.8 -0.655 23.5-131.3 -81.6 115.6 48.8 37.4 12.9 7 13 A H E 3 S- b 0 34A 17 200,-2.6 28,-0.1 -2,-0.6 10,-0.1 -0.535 91.0 -18.2 -67.3 110.8 50.9 37.0 9.7 8 14 A R T 3 S- 0 0 36 26,-1.6 9,-2.0 -2,-0.6 2,-0.6 0.793 124.9 -72.2 58.6 28.6 50.2 33.4 8.7 9 15 A G S < S- 0 0 0 -3,-1.8 13,-0.2 25,-0.4 198,-0.1 -0.827 98.4 -26.7 94.1-123.5 49.0 32.9 12.2 10 16 A A >> - 0 0 0 -2,-0.6 3,-2.2 -4,-0.2 4,-1.5 -0.724 67.5-174.9-130.2 76.1 51.8 32.9 14.9 11 17 A P T 34 S+ 0 0 23 0, 0.0 5,-0.4 0, 0.0 198,-0.1 0.513 79.8 50.9 -50.9 -15.6 54.8 31.7 12.7 12 18 A L T 34 S+ 0 0 112 196,-0.5 3,-0.1 3,-0.1 197,-0.1 0.561 110.8 47.7-101.8 -11.3 57.2 31.5 15.6 13 19 A K T <4 S- 0 0 121 -3,-2.2 2,-0.3 1,-0.3 -1,-0.1 0.677 130.1 -4.0 -97.7 -25.0 54.9 29.5 17.8 14 20 A A S < S- 0 0 14 -4,-1.5 -1,-0.3 7,-0.0 3,-0.1 -0.966 99.8 -59.5-159.8 164.4 54.0 26.9 15.1 15 21 A K > - 0 0 112 -2,-0.3 3,-0.8 1,-0.1 6,-0.4 -0.255 67.4-100.6 -56.2 130.7 54.6 26.3 11.4 16 22 A E T 3 S+ 0 0 73 -5,-0.4 -7,-0.2 1,-0.2 -8,-0.1 -0.121 100.2 14.5 -53.3 145.2 53.4 29.2 9.4 17 23 A N T 3 S+ 0 0 5 -9,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.800 96.1 123.0 57.7 35.5 50.1 28.9 7.6 18 24 A T S <> S- 0 0 10 -3,-0.8 4,-2.2 -10,-0.5 3,-0.2 -0.890 75.0-112.5-121.0 155.0 48.9 25.8 9.5 19 25 A L H > S+ 0 0 57 53,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.864 118.0 54.3 -53.9 -39.9 45.8 25.5 11.6 20 26 A E H > S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.924 107.7 50.5 -61.4 -43.6 47.8 25.3 14.8 21 27 A S H > S+ 0 0 0 -6,-0.4 4,-1.9 -3,-0.2 -2,-0.2 0.930 112.3 45.8 -60.9 -46.3 49.5 28.6 13.9 22 28 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 -13,-0.2 -1,-0.2 0.914 113.2 50.4 -64.4 -41.8 46.2 30.3 13.2 23 29 A R H X S+ 0 0 98 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.924 109.8 49.9 -62.0 -45.2 44.6 28.9 16.4 24 30 A L H X S+ 0 0 40 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.862 108.5 53.5 -62.4 -36.4 47.6 30.0 18.6 25 31 A A H <>S+ 0 0 0 -4,-1.9 5,-1.6 -5,-0.2 4,-0.3 0.906 113.1 42.5 -65.5 -41.3 47.4 33.5 17.1 26 32 A L H ><5S+ 0 0 8 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.853 111.3 54.5 -74.3 -33.0 43.7 33.8 18.0 27 33 A E H 3<5S+ 0 0 115 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.772 100.6 62.7 -69.5 -24.3 44.2 32.3 21.4 28 34 A A T 3<5S- 0 0 37 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.620 123.9-103.9 -74.8 -13.5 46.9 34.9 22.0 29 35 A G T < 5 + 0 0 38 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.539 67.1 151.7 103.4 8.2 44.2 37.6 21.7 30 36 A L < - 0 0 12 -5,-1.6 -1,-0.2 1,-0.1 -25,-0.2 -0.310 52.2-123.7 -69.4 157.9 44.9 39.0 18.3 31 37 A D S S- 0 0 45 -27,-1.7 59,-1.8 1,-0.1 2,-0.3 0.677 76.2 -44.2 -76.5 -17.9 42.0 40.4 16.3 32 38 A G E -bc 5 90A 0 -28,-1.1 -26,-2.6 57,-0.2 2,-0.3 -0.980 57.9-100.1 176.1-168.2 42.5 38.1 13.4 33 39 A V E -bc 6 91A 0 57,-1.6 59,-2.8 -2,-0.3 2,-0.4 -0.957 12.8-135.7-141.7 157.3 45.0 36.5 11.0 34 40 A E E -bc 7 92A 4 -28,-2.7 -26,-1.6 -2,-0.3 -25,-0.4 -0.913 26.7-173.1-110.3 140.8 46.3 36.9 7.5 35 41 A L E - c 0 93A 0 57,-2.4 59,-3.1 -2,-0.4 2,-0.4 -1.000 18.0-134.6-139.4 138.6 46.6 33.7 5.4 36 42 A D E - c 0 94A 1 -2,-0.4 12,-0.9 57,-0.2 2,-0.4 -0.726 25.1-173.0 -91.6 136.8 48.2 33.0 2.0 37 43 A V E -Dc 47 95A 0 57,-2.3 59,-2.6 -2,-0.4 10,-0.2 -0.985 14.0-175.9-135.1 146.2 46.3 30.9 -0.6 38 44 A W E -D 46 0A 26 8,-2.0 8,-2.4 -2,-0.4 2,-0.3 -0.987 32.9-114.2-131.6 140.3 47.0 29.5 -4.0 39 45 A P E -D 45 0A 14 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.596 28.3-140.5 -80.2 137.3 44.5 27.6 -6.1 40 46 A T > - 0 0 7 4,-2.8 3,-1.9 -2,-0.3 19,-0.2 -0.308 33.6 -93.7 -85.0 174.6 45.2 23.9 -6.7 41 47 A R T 3 S+ 0 0 155 20,-2.5 21,-0.2 17,-0.8 18,-0.1 0.873 128.0 47.5 -57.3 -37.0 44.6 22.1 -10.0 42 48 A D T 3 S- 0 0 82 19,-0.4 -1,-0.3 2,-0.1 20,-0.1 0.137 124.4 -99.2 -93.7 20.1 41.1 21.1 -8.8 43 49 A G S < S+ 0 0 22 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.672 75.7 137.4 77.1 17.8 40.1 24.5 -7.5 44 50 A V - 0 0 9 32,-0.0 -4,-2.8 31,-0.0 2,-1.0 -0.746 55.5-124.8 -94.7 144.3 40.8 24.2 -3.8 45 51 A F E -D 39 0A 3 -2,-0.3 31,-2.7 -6,-0.2 2,-0.3 -0.793 26.3-157.4 -94.6 102.8 42.5 27.1 -2.1 46 52 A A E -DE 38 75A 0 -8,-2.4 -8,-2.0 -2,-1.0 2,-1.0 -0.622 13.8-131.4 -79.0 134.7 45.6 25.7 -0.4 47 53 A V E +D 37 0A 2 27,-2.5 2,-0.3 -2,-0.3 -10,-0.2 -0.769 60.1 108.9 -93.5 99.8 47.0 27.7 2.5 48 54 A R - 0 0 30 -2,-1.0 -31,-0.1 -12,-0.9 -2,-0.0 -0.959 60.9-132.9-165.6 153.7 50.7 28.1 2.0 49 55 A H S S+ 0 0 70 -2,-0.3 -1,-0.1 -33,-0.1 -12,-0.1 0.925 84.0 65.1 -81.3 -47.6 53.1 30.9 1.0 50 56 A D - 0 0 74 1,-0.1 -12,-0.1 2,-0.1 8,-0.0 -0.586 62.6-153.9 -83.9 139.0 55.3 29.3 -1.6 51 57 A P S S+ 0 0 27 0, 0.0 7,-2.5 0, 0.0 2,-0.5 0.689 74.1 84.0 -80.8 -20.1 53.8 28.3 -5.0 52 58 A D E +L 57 0B 102 5,-0.2 -2,-0.1 6,-0.1 0, 0.0 -0.741 57.0 175.0 -92.3 129.4 56.5 25.6 -5.6 53 59 A T E > -L 56 0B 17 3,-1.2 3,-2.1 -2,-0.5 13,-0.0 -0.782 48.7 -99.5-125.0 168.1 55.9 22.1 -4.1 54 60 A P T 3 S+ 0 0 94 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.747 127.8 47.1 -59.4 -21.3 57.8 18.8 -4.3 55 61 A L T 3 S- 0 0 87 1,-0.4 11,-0.0 11,-0.0 -3,-0.0 0.364 126.0 -94.3-100.3 2.4 55.1 17.8 -6.8 56 62 A G E < S-L 53 0B 22 -3,-2.1 -3,-1.2 5,-0.0 -1,-0.4 -0.650 73.9 -10.3 115.4-174.1 55.4 21.0 -8.9 57 63 A P E > -L 52 0B 32 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.287 67.4-118.2 -59.2 141.6 53.5 24.3 -8.9 58 64 A V G > S+ 0 0 0 -7,-2.5 3,-1.8 1,-0.3 -17,-0.8 0.869 111.4 59.5 -49.3 -42.6 50.4 24.4 -6.8 59 65 A F G 3 S+ 0 0 68 1,-0.3 -1,-0.3 -19,-0.2 -16,-0.1 0.661 104.2 51.7 -65.7 -13.5 48.1 25.0 -9.8 60 66 A Q G < S+ 0 0 112 -3,-2.2 2,-0.4 2,-0.1 -1,-0.3 0.374 102.0 71.5-102.0 4.0 49.2 21.8 -11.4 61 67 A V S < S- 0 0 11 -3,-1.8 -20,-2.5 -4,-0.4 -19,-0.4 -0.951 80.0-120.5-124.7 139.7 48.6 19.5 -8.4 62 68 A D >> - 0 0 37 -2,-0.4 4,-2.0 -22,-0.2 3,-0.6 -0.476 27.2-120.4 -73.3 147.7 45.3 18.3 -6.9 63 69 A Y H 3> S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.906 111.1 56.7 -54.5 -47.0 44.8 19.3 -3.3 64 70 A A H 3> S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.856 108.7 48.3 -55.4 -36.4 44.5 15.6 -2.1 65 71 A D H <> S+ 0 0 84 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.910 111.1 48.5 -71.9 -41.9 47.9 15.0 -3.6 66 72 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.885 111.9 52.2 -63.4 -36.5 49.5 18.0 -2.0 67 73 A K H < S+ 0 0 62 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.850 106.8 50.7 -68.3 -37.7 47.9 17.0 1.3 68 74 A A H < S+ 0 0 78 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.922 116.6 42.2 -66.1 -41.7 49.3 13.5 1.2 69 75 A Q H < S+ 0 0 98 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.842 130.5 26.8 -71.6 -34.7 52.8 15.0 0.5 70 76 A E S >< S- 0 0 33 -4,-2.4 3,-2.3 -5,-0.2 -1,-0.3 -0.730 72.1-173.2-133.2 79.8 52.3 17.7 3.1 71 77 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.691 81.8 54.6 -47.7 -29.5 49.8 16.5 5.8 72 78 A D T 3 S+ 0 0 70 2,-0.1 -53,-0.4 -54,-0.0 -5,-0.1 0.316 76.2 121.1 -93.2 12.1 49.6 19.8 7.7 73 79 A L < - 0 0 2 -3,-2.3 -55,-0.1 -6,-0.2 -25,-0.1 -0.628 52.0-152.9 -76.5 113.3 48.6 21.8 4.6 74 80 A P - 0 0 1 0, 0.0 -27,-2.5 0, 0.0 2,-0.3 -0.368 6.9-134.5 -83.9 165.6 45.2 23.4 5.2 75 81 A R B >> -E 46 0A 73 -29,-0.2 3,-1.4 -2,-0.1 4,-1.0 -0.866 33.7-104.3-112.5 152.4 42.5 24.3 2.7 76 82 A L H >> S+ 0 0 0 -31,-2.7 4,-2.2 -2,-0.3 3,-0.8 0.832 115.7 58.1 -43.7 -48.8 40.9 27.8 3.1 77 83 A E H 3> S+ 0 0 53 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.827 101.4 57.2 -56.2 -33.5 37.6 26.6 4.5 78 84 A E H <4 S+ 0 0 73 -3,-1.4 -1,-0.3 2,-0.2 4,-0.2 0.850 109.0 45.1 -67.8 -34.6 39.3 24.9 7.5 79 85 A V H X< S+ 0 0 0 -4,-1.0 3,-1.7 -3,-0.8 -2,-0.2 0.929 112.3 49.8 -74.8 -44.8 41.0 28.2 8.5 80 86 A L H >< S+ 0 0 15 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.795 98.4 70.0 -63.4 -27.3 37.8 30.3 8.1 81 87 A A G >< S+ 0 0 39 -4,-1.6 3,-1.9 1,-0.3 4,-0.3 0.677 78.2 79.6 -64.3 -17.1 36.0 27.7 10.2 82 88 A L G X> S+ 0 0 11 -3,-1.7 4,-1.9 1,-0.3 3,-0.9 0.671 71.1 81.2 -65.0 -14.8 38.0 28.9 13.2 83 89 A K G <4 S+ 0 0 64 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.666 80.6 67.4 -65.4 -13.1 35.5 31.8 13.4 84 90 A E G <4 S+ 0 0 165 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.893 107.8 35.6 -72.0 -39.8 33.3 29.3 15.2 85 91 A A T <4 S+ 0 0 63 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.2 0.760 131.1 34.4 -83.4 -27.8 35.7 29.2 18.2 86 92 A F >< + 0 0 48 -4,-1.9 3,-1.7 1,-0.1 -1,-0.3 -0.679 69.1 176.5-129.1 77.0 36.5 32.9 17.8 87 93 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.667 80.8 49.9 -54.3 -22.7 33.3 34.6 16.6 88 94 A Q T 3 S+ 0 0 165 2,-0.1 -5,-0.1 -56,-0.0 2,-0.0 0.558 86.7 110.5 -95.5 -9.0 34.8 38.1 16.7 89 95 A A < - 0 0 9 -3,-1.7 2,-0.3 -6,-0.1 -57,-0.2 -0.327 55.0-148.8 -68.7 146.6 38.0 37.2 14.7 90 96 A V E -c 32 0A 34 -59,-1.8 -57,-1.6 -2,-0.0 2,-0.5 -0.839 4.2-144.9-114.7 154.4 38.5 38.5 11.2 91 97 A F E -cf 33 119A 2 27,-2.9 29,-2.2 -2,-0.3 2,-0.8 -0.975 5.4-162.0-127.7 122.7 40.4 36.8 8.3 92 98 A N E -cf 34 120A 0 -59,-2.8 -57,-2.4 -2,-0.5 2,-0.6 -0.895 14.3-163.3-103.0 106.5 42.5 38.5 5.7 93 99 A V E -cf 35 121A 0 27,-2.3 29,-2.3 -2,-0.8 2,-0.8 -0.817 5.4-153.7 -92.4 118.9 42.9 36.1 2.8 94 100 A E E -cf 36 122A 14 -59,-3.1 -57,-2.3 -2,-0.6 2,-0.7 -0.856 10.6-147.3 -94.2 115.4 45.7 37.0 0.5 95 101 A L E -c 37 0A 1 27,-2.3 2,-0.5 -2,-0.8 29,-0.4 -0.727 18.3-175.6 -83.4 116.9 44.9 35.6 -2.9 96 102 A K + 0 0 31 -59,-2.6 2,-0.3 -2,-0.7 27,-0.0 -0.930 10.6 167.0-110.8 134.2 48.1 34.6 -4.6 97 103 A S - 0 0 17 -2,-0.5 5,-0.2 -59,-0.1 31,-0.1 -0.994 48.4 -96.3-147.4 155.5 47.9 33.4 -8.1 98 104 A F > - 0 0 35 -2,-0.3 3,-2.2 3,-0.1 4,-0.2 -0.630 61.4-107.2 -70.8 102.9 50.1 32.7 -11.1 99 105 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.052 110.0 36.3 -32.3 130.6 49.6 36.0 -12.9 100 106 A G T 3 S+ 0 0 62 -3,-0.0 4,-0.2 0, 0.0 -2,-0.1 0.047 116.8 59.6 104.4 -21.8 47.5 35.5 -16.0 101 107 A L S <> S+ 0 0 63 -3,-2.2 4,-2.1 2,-0.1 5,-0.2 0.311 77.7 92.8-114.7 -0.8 45.5 33.0 -13.9 102 108 A G H > S+ 0 0 0 -4,-0.2 4,-2.6 1,-0.2 5,-0.1 0.866 80.9 53.7 -64.2 -38.2 44.6 35.5 -11.2 103 109 A E H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 111.5 45.0 -63.2 -46.4 41.2 36.4 -12.8 104 110 A E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.921 115.8 46.4 -63.6 -44.4 40.0 32.8 -13.0 105 111 A A H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.898 111.1 54.4 -64.6 -38.6 41.2 32.1 -9.4 106 112 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.914 106.8 49.5 -61.0 -45.0 39.6 35.3 -8.3 107 113 A R H X S+ 0 0 135 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.900 112.2 49.4 -62.4 -38.7 36.2 34.3 -9.8 108 114 A R H X S+ 0 0 121 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.919 112.2 46.9 -65.7 -44.2 36.5 31.0 -8.0 109 115 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.888 107.9 57.2 -65.7 -38.8 37.4 32.6 -4.7 110 116 A A H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.918 107.6 47.2 -57.9 -45.1 34.6 35.1 -5.0 111 117 A A H >< S+ 0 0 69 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.891 112.4 50.3 -64.6 -39.5 32.0 32.3 -5.4 112 118 A L H 3< S+ 0 0 45 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.866 113.7 44.0 -66.9 -37.8 33.5 30.4 -2.4 113 119 A L T >< S+ 0 0 4 -4,-2.4 3,-1.6 -5,-0.1 -1,-0.2 0.237 81.0 145.9 -93.5 14.2 33.4 33.5 -0.1 114 120 A R T < S- 0 0 202 -3,-0.9 3,-0.1 1,-0.3 -3,-0.1 -0.284 78.7 -9.4 -56.8 125.7 29.9 34.6 -1.2 115 121 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -2,-0.0 2,-0.1 0.415 95.4 145.5 67.8 -3.4 28.1 36.2 1.7 116 122 A R < - 0 0 108 -3,-1.6 3,-0.3 1,-0.1 2,-0.3 -0.403 37.3-144.7 -67.9 142.8 30.7 35.2 4.2 117 123 A E S S+ 0 0 155 1,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.706 71.2 31.9-108.3 160.4 31.3 37.7 7.0 118 124 A G S S+ 0 0 31 -2,-0.3 -27,-2.9 1,-0.2 2,-0.4 0.681 96.1 106.3 71.5 19.3 34.5 38.7 8.8 119 125 A V E +f 91 0A 9 -3,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.983 40.1 176.0-134.1 140.1 36.6 38.1 5.8 120 126 A W E -f 92 0A 30 -29,-2.2 -27,-2.3 -2,-0.4 2,-0.4 -0.992 20.9-136.3-140.3 146.5 38.4 40.4 3.3 121 127 A V E -fg 93 141A 0 19,-2.1 21,-2.4 -2,-0.3 2,-0.3 -0.865 17.5-174.0-107.2 136.0 40.7 39.5 0.4 122 128 A S E +fg 94 142A 0 -29,-2.3 -27,-2.3 -2,-0.4 2,-0.3 -0.887 6.1 173.6-123.0 157.4 43.9 41.3 -0.5 123 129 A S E - g 0 143A 4 19,-1.6 21,-2.2 -2,-0.3 39,-0.1 -0.979 38.8-141.1-161.1 150.5 46.2 40.8 -3.5 124 130 A F S S+ 0 0 78 -29,-0.4 22,-0.1 -2,-0.3 -28,-0.1 0.555 87.3 88.8 -84.2 -13.0 49.3 42.3 -5.2 125 131 A D > - 0 0 30 -30,-0.3 4,-1.8 1,-0.2 3,-0.4 -0.780 59.7-166.5 -95.2 107.0 47.5 41.7 -8.5 126 132 A P H > S+ 0 0 35 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.843 90.1 56.7 -58.1 -34.6 45.3 44.5 -9.7 127 133 A L H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.878 105.5 49.7 -66.7 -37.9 43.7 42.3 -12.3 128 134 A A H > S+ 0 0 1 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.893 109.6 52.7 -66.8 -39.1 42.6 39.7 -9.7 129 135 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.890 107.8 50.2 -64.6 -39.7 41.1 42.6 -7.6 130 136 A L H X S+ 0 0 85 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.912 113.1 46.6 -64.0 -41.6 39.1 43.8 -10.6 131 137 A A H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.891 111.6 51.5 -66.9 -40.4 37.8 40.3 -11.2 132 138 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.929 109.7 48.7 -62.1 -47.0 37.0 39.8 -7.5 133 139 A R H < S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.869 112.5 48.1 -63.6 -36.5 35.0 43.0 -7.3 134 140 A K H < S+ 0 0 183 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.899 116.8 43.1 -70.3 -39.4 33.0 42.2 -10.4 135 141 A A H < S+ 0 0 52 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.769 129.9 22.7 -77.6 -30.0 32.2 38.7 -9.2 136 142 A A >< - 0 0 15 -4,-2.5 3,-2.0 -5,-0.2 -1,-0.3 -0.648 64.4-179.3-141.9 81.1 31.4 39.6 -5.6 137 143 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.754 83.8 50.3 -50.5 -31.5 30.4 43.3 -5.2 138 144 A G T 3 S+ 0 0 76 2,-0.1 -5,-0.1 0, 0.0 -2,-0.0 0.433 82.6 105.0 -93.1 1.4 30.0 42.9 -1.4 139 145 A L S < S- 0 0 9 -3,-2.0 -19,-0.1 -7,-0.2 -3,-0.1 -0.726 72.7-125.2 -86.4 118.7 33.3 41.3 -0.6 140 146 A P - 0 0 59 0, 0.0 -19,-2.1 0, 0.0 2,-0.3 -0.353 32.5-164.0 -63.0 140.5 35.8 43.8 1.0 141 147 A L E -g 121 0A 2 -21,-0.2 18,-2.0 -2,-0.0 19,-1.8 -0.926 14.9-161.0-131.0 153.2 39.1 44.1 -0.7 142 148 A G E -gh 122 160A 0 -21,-2.4 -19,-1.6 -2,-0.3 2,-0.7 -0.986 16.7-136.0-132.8 141.6 42.6 45.3 -0.1 143 149 A F E -gh 123 161A 3 17,-2.0 19,-3.1 -2,-0.4 2,-0.3 -0.876 19.8-149.5-100.1 113.0 45.4 46.2 -2.5 144 150 A L E - h 0 162A 8 -21,-2.2 2,-0.4 -2,-0.7 -2,-0.0 -0.612 14.9-168.8 -79.6 138.4 48.8 44.9 -1.4 145 151 A M E + h 0 163A 1 17,-2.1 19,-1.9 -2,-0.3 22,-0.1 -0.984 26.8 176.0-136.8 125.5 51.8 47.0 -2.4 146 152 A A S S+ 0 0 57 -2,-0.4 2,-0.3 17,-0.2 -1,-0.1 0.626 88.9 24.1 -94.3 -23.0 55.5 46.1 -2.3 147 153 A E S S- 0 0 134 20,-0.0 2,-1.4 19,-0.0 -1,-0.2 -0.905 111.2 -80.7-133.2 160.3 56.4 49.4 -4.0 148 154 A D + 0 0 82 -2,-0.3 3,-0.2 1,-0.2 -3,-0.0 -0.484 58.6 155.5 -73.2 95.3 54.3 52.6 -4.0 149 155 A H > + 0 0 92 -2,-1.4 3,-2.1 1,-0.2 4,-0.3 -0.148 20.0 136.1-107.7 35.5 51.7 51.9 -6.7 150 156 A S G > + 0 0 31 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.733 54.5 80.0 -56.0 -24.0 49.1 54.3 -5.2 151 157 A A G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.2 4,-0.2 0.731 89.4 55.8 -57.3 -22.3 48.3 55.7 -8.7 152 158 A L G X> S+ 0 0 73 -3,-2.1 3,-1.8 1,-0.2 4,-0.6 0.684 81.6 87.8 -84.4 -20.0 46.1 52.6 -9.3 153 159 A L G X4 S+ 0 0 6 -3,-1.5 3,-1.3 -4,-0.3 5,-0.3 0.847 81.4 58.0 -49.4 -43.0 43.9 53.1 -6.2 154 160 A P G 34 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.756 110.5 44.9 -62.2 -21.6 41.4 55.4 -8.1 155 161 A C G <4 S+ 0 0 103 -3,-1.8 2,-0.4 -4,-0.2 -2,-0.2 0.419 101.2 82.1-100.6 -1.4 40.8 52.6 -10.6 156 162 A L S << S- 0 0 19 -3,-1.3 2,-1.4 -4,-0.6 -13,-0.1 -0.850 75.4-133.6-107.3 142.1 40.5 49.7 -8.1 157 163 A G + 0 0 26 -2,-0.4 2,-0.3 -28,-0.1 -4,-0.0 -0.697 57.8 135.2 -91.8 83.6 37.4 48.8 -6.2 158 164 A V - 0 0 17 -2,-1.4 -16,-0.2 -5,-0.3 -2,-0.1 -0.972 48.7-161.7-133.9 149.4 39.0 48.4 -2.8 159 165 A E S S+ 0 0 84 -18,-2.0 23,-2.3 -2,-0.3 2,-0.3 0.560 81.5 39.2-100.5 -14.5 38.3 49.6 0.8 160 166 A A E -hi 142 182A 4 -19,-1.8 -17,-2.0 21,-0.2 2,-0.4 -0.952 60.4-151.0-138.3 155.7 41.8 49.1 2.0 161 167 A V E -hi 143 183A 0 21,-2.5 23,-2.3 -2,-0.3 -17,-0.2 -0.984 10.4-159.3-123.3 134.2 45.4 49.5 0.9 162 168 A H E -h 144 0A 0 -19,-3.1 -17,-2.1 -2,-0.4 2,-0.2 -0.740 18.7-175.3-116.5 81.3 48.0 47.1 2.4 163 169 A P E -h 145 0A 0 0, 0.0 23,-1.2 0, 0.0 -17,-0.2 -0.492 34.8-107.4 -81.0 146.3 51.4 48.8 2.0 164 170 A H B > -j 186 0A 57 -19,-1.9 3,-2.4 21,-0.2 4,-0.4 -0.470 42.2-113.8 -60.4 140.5 54.7 47.3 2.9 165 171 A H G > S+ 0 0 50 21,-2.9 3,-1.4 1,-0.3 -1,-0.1 0.781 114.0 66.1 -54.5 -28.1 55.6 49.2 6.1 166 172 A A G 3 S+ 0 0 66 1,-0.3 -1,-0.3 20,-0.2 -2,-0.1 0.596 97.3 55.7 -70.2 -11.0 58.6 50.9 4.4 167 173 A L G < S+ 0 0 34 -3,-2.4 2,-0.8 -22,-0.1 -1,-0.3 0.495 83.7 104.8 -95.9 -7.0 56.1 52.7 2.1 168 174 A V < + 0 0 1 -3,-1.4 2,-0.3 -4,-0.4 3,-0.0 -0.681 41.2 145.8 -85.5 111.3 54.3 54.2 5.0 169 175 A T > - 0 0 55 -2,-0.8 4,-2.5 1,-0.1 5,-0.2 -0.863 61.9-101.0-133.5 166.1 55.0 57.9 5.6 170 176 A E H > S+ 0 0 156 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.913 123.3 46.3 -57.1 -43.7 52.9 60.8 6.8 171 177 A E H > S+ 0 0 161 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 111.1 50.9 -67.0 -41.5 52.4 62.1 3.2 172 178 A A H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.920 111.5 48.7 -62.4 -43.0 51.5 58.6 1.8 173 179 A V H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.863 106.3 56.5 -64.9 -37.1 49.0 58.1 4.6 174 180 A A H X S+ 0 0 59 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.903 107.7 49.7 -61.5 -39.5 47.5 61.6 3.9 175 181 A G H X S+ 0 0 36 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.912 112.6 45.3 -65.4 -42.9 46.9 60.5 0.3 176 182 A W H ><>S+ 0 0 6 -4,-1.9 5,-2.3 1,-0.2 3,-0.7 0.867 112.8 50.5 -69.4 -36.6 45.3 57.2 1.4 177 183 A R H ><5S+ 0 0 86 -4,-2.8 3,-2.1 1,-0.2 -1,-0.2 0.861 100.4 64.8 -68.0 -34.3 43.1 59.0 4.0 178 184 A K H 3<5S+ 0 0 176 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.759 107.2 42.4 -58.7 -25.5 42.1 61.5 1.3 179 185 A R T <<5S- 0 0 122 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.292 117.3-115.6-103.3 6.7 40.4 58.5 -0.4 180 186 A G T < 5 + 0 0 66 -3,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.849 57.7 163.9 62.8 36.9 39.0 57.2 2.8 181 187 A L < - 0 0 10 -5,-2.3 2,-0.5 -21,-0.0 -21,-0.2 -0.597 42.0-124.4 -90.2 149.4 41.0 54.0 2.6 182 188 A F E -i 160 0A 76 -23,-2.3 -21,-2.5 -2,-0.2 2,-0.6 -0.801 31.3-146.2 -88.3 124.7 41.6 51.6 5.5 183 189 A V E +i 161 0A 0 -2,-0.5 20,-1.8 -23,-0.2 21,-1.2 -0.871 21.4 176.4-105.7 121.6 45.4 51.2 5.9 184 190 A V E - k 0 204A 0 -23,-2.3 21,-0.2 -2,-0.6 2,-0.2 -0.961 13.5-157.6-124.5 113.3 47.0 47.9 6.9 185 191 A A E - k 0 205A 0 19,-2.0 21,-2.6 -2,-0.5 3,-0.3 -0.570 15.5-122.1 -92.6 155.2 50.8 47.6 7.0 186 192 A W E +jk 164 206A 43 -23,-1.2 -21,-2.9 1,-0.2 -20,-0.2 -0.960 64.5 3.2-151.4 154.4 53.0 44.5 6.9 187 193 A T + 0 0 30 19,-0.5 2,-0.8 -2,-0.3 20,-0.3 0.434 64.5 169.8-110.7 117.6 55.0 42.8 8.0 188 194 A V + 0 0 1 18,-2.7 21,-0.4 -3,-0.3 24,-0.1 -0.785 12.9 150.5 -97.8 106.4 55.7 44.5 11.3 189 195 A N + 0 0 51 -2,-0.8 2,-0.4 18,-0.2 -1,-0.1 0.376 51.4 78.7-112.9 3.2 57.8 42.6 13.8 190 196 A E > - 0 0 140 1,-0.1 4,-2.6 22,-0.0 5,-0.2 -0.930 67.3-140.4-120.5 140.1 59.5 45.4 15.8 191 197 A E H > S+ 0 0 125 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.904 103.2 53.4 -58.4 -45.7 58.1 47.6 18.6 192 198 A G H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.950 113.7 40.3 -56.3 -52.8 59.8 50.7 17.3 193 199 A E H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 113.4 55.6 -65.0 -39.1 58.4 50.4 13.8 194 200 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.920 109.8 45.6 -60.0 -43.8 55.0 49.3 15.1 195 201 A R H X S+ 0 0 154 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.867 110.4 54.1 -68.9 -34.8 54.8 52.5 17.2 196 202 A R H X S+ 0 0 92 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.940 111.9 45.0 -62.7 -46.3 55.9 54.7 14.3 197 203 A L H ><>S+ 0 0 0 -4,-2.6 5,-1.4 1,-0.2 3,-0.6 0.896 113.0 48.5 -65.2 -43.5 53.2 53.3 12.1 198 204 A L H ><5S+ 0 0 35 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.850 103.7 61.2 -66.9 -33.2 50.4 53.5 14.7 199 205 A A H 3<5S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.781 99.7 57.5 -62.9 -25.1 51.5 57.1 15.5 200 206 A L T <<5S- 0 0 47 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.459 122.9-110.0 -83.7 -2.0 50.6 57.8 11.9 201 207 A G T < 5 + 0 0 39 -3,-2.1 -3,-0.2 1,-0.1 -18,-0.2 0.695 51.7 175.7 83.9 21.4 47.1 56.5 12.6 202 208 A L < - 0 0 4 -5,-1.4 -1,-0.1 1,-0.1 -18,-0.1 -0.145 29.9-138.8 -58.9 155.6 47.1 53.2 10.6 203 209 A D S S+ 0 0 38 -20,-1.8 -200,-2.7 1,-0.2 2,-0.3 0.558 74.7 3.0 -93.8 -11.9 44.1 50.9 10.9 204 210 A G E -ak 3 184A 0 -21,-1.2 -19,-2.0 -202,-0.3 2,-0.4 -0.975 52.8-149.8-170.5 156.9 45.9 47.6 11.1 205 211 A L E -ak 4 185A 3 -202,-2.5 -200,-2.9 -2,-0.3 2,-0.5 -1.000 6.9-156.3-137.3 135.2 49.2 45.8 11.4 206 212 A I E +ak 5 186A 5 -21,-2.6 -18,-2.7 -2,-0.4 -19,-0.5 -0.953 31.8 157.7-109.9 123.8 50.1 42.3 10.1 207 213 A G E -a 6 0A 1 -202,-2.4 -200,-2.6 -2,-0.5 -18,-0.2 -0.976 50.7-129.2-149.0 162.9 53.1 40.8 12.0 208 214 A D S S+ 0 0 35 -2,-0.3 -196,-0.5 -202,-0.2 -19,-0.1 0.548 93.4 66.3 -86.1 -10.7 54.9 37.6 13.0 209 215 A R >> - 0 0 107 -21,-0.4 4,-1.2 1,-0.1 3,-0.9 -0.894 57.8-168.7-120.8 105.5 55.1 38.4 16.7 210 216 A P H 3> S+ 0 0 9 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.872 87.9 61.7 -55.3 -40.7 51.8 38.5 18.7 211 217 A E H 34 S+ 0 0 110 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 0.840 103.7 50.2 -55.6 -36.3 53.6 40.1 21.8 212 218 A V H <4 S+ 0 0 23 -3,-0.9 -1,-0.2 1,-0.2 4,-0.2 0.854 116.6 39.6 -72.0 -35.8 54.5 43.1 19.6 213 219 A L H >< S+ 0 0 0 -4,-1.2 3,-1.3 -3,-0.3 -2,-0.2 0.831 99.4 73.8 -84.6 -34.5 51.0 43.7 18.3 214 220 A L T 3< S+ 0 0 58 -4,-2.9 -1,-0.1 1,-0.3 -2,-0.1 0.854 95.5 47.3 -49.4 -49.2 49.0 43.0 21.5 215 221 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.641 90.2 104.3 -71.8 -12.3 49.7 46.2 23.4 216 222 A L S < S+ 0 0 16 -3,-1.3 2,-0.6 -4,-0.2 -212,-0.0 -0.501 80.7 7.8 -72.8 133.5 49.0 48.3 20.4 217 223 A G 0 0 49 -2,-0.2 -214,-0.1 1,-0.2 -3,-0.0 -0.881 360.0 360.0 107.0-119.3 45.7 50.1 20.5 218 224 A G 0 0 118 -2,-0.6 -1,-0.2 -216,-0.2 -2,-0.1 0.365 360.0 360.0-168.7 360.0 43.5 50.1 23.6