==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JUN-01 1H60 . COMPND 2 MOLECULE: PENTAERYTHRITOL TETRANITRATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR T.M.BARNA,P.C.E.MOODY . 364 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 1 1 1 1 2 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 1 A S 0 0 103 0, 0.0 5,-0.2 0, 0.0 338,-0.1 0.000 360.0 360.0 360.0 34.0 39.8 5.3 45.8 2 2 A A - 0 0 26 2,-0.1 4,-0.5 3,-0.1 304,-0.0 0.867 360.0-123.3 50.8 107.9 36.2 6.4 45.4 3 3 A E S S+ 0 0 158 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.829 88.6 6.7 -54.8 -49.7 34.3 4.6 48.1 4 4 A K S > S+ 0 0 81 1,-0.1 3,-1.7 2,-0.1 -1,-0.2 0.647 99.5 88.4-120.8 -7.6 31.5 2.7 46.3 5 5 A L T 3 S+ 0 0 0 1,-0.3 14,-2.6 13,-0.1 15,-0.3 0.687 93.8 51.1 -61.4 -17.8 32.0 3.0 42.5 6 6 A F T 3 S+ 0 0 33 -4,-0.5 -1,-0.3 12,-0.2 -2,-0.1 0.004 88.9 102.6-114.4 27.7 34.2 -0.1 42.6 7 7 A T S < S- 0 0 47 -3,-1.7 9,-0.0 1,-0.1 -3,-0.0 -0.825 76.2 -98.5-107.9 151.1 31.9 -2.4 44.5 8 8 A P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 11,-0.1 -0.182 34.0-169.5 -68.0 159.1 29.7 -5.1 43.0 9 9 A L E -A 16 0A 16 7,-2.4 7,-2.8 9,-0.2 2,-0.6 -0.977 22.7-128.4-148.8 129.0 26.0 -4.8 42.2 10 10 A K E -A 15 0A 158 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.753 24.9-173.0 -81.9 124.4 23.5 -7.5 41.2 11 11 A V E > -A 14 0A 2 3,-2.5 3,-2.4 -2,-0.6 256,-0.1 -0.916 53.1 -73.9-118.9 96.1 21.7 -6.3 38.1 12 12 A G T 3 S- 0 0 21 -2,-0.5 217,-0.2 254,-0.4 216,-0.1 -0.282 118.3 -0.8 47.1-122.6 18.8 -8.7 37.3 13 13 A A T 3 S+ 0 0 38 215,-2.2 -1,-0.3 163,-0.2 2,-0.3 0.510 130.5 53.0 -74.5 -7.4 20.3 -12.0 36.0 14 14 A V E < S-A 11 0A 22 -3,-2.4 -3,-2.5 214,-0.2 2,-0.5 -0.779 73.1-126.7-123.3 173.3 24.0 -10.8 36.2 15 15 A T E -A 10 0A 87 -2,-0.3 -5,-0.2 -5,-0.2 -2,-0.0 -0.978 16.0-151.5-119.9 120.0 26.4 -9.4 38.7 16 16 A A E -A 9 0A 0 -7,-2.8 -7,-2.4 -2,-0.5 36,-0.1 -0.673 7.1-149.8 -80.7 135.8 28.4 -6.2 37.8 17 17 A P S S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.561 80.7 13.4 -83.9 -4.4 31.8 -6.0 39.6 18 18 A N S S- 0 0 11 -9,-0.1 -12,-0.2 2,-0.1 -9,-0.2 -0.922 72.5-119.2-155.9 174.9 31.6 -2.2 39.7 19 19 A R S S+ 0 0 36 -14,-2.6 301,-2.4 -2,-0.3 2,-1.0 0.094 76.4 108.4-110.9 16.0 29.1 0.6 39.1 20 20 A V E -b 320 0B 0 -15,-0.3 32,-2.5 299,-0.2 33,-0.5 -0.833 52.2-177.1 -96.9 94.8 30.9 2.3 36.2 21 21 A F E -bc 321 53B 0 299,-2.6 301,-2.5 -2,-1.0 2,-0.7 -0.645 28.3-122.1 -98.5 155.4 28.7 1.5 33.3 22 22 A M E -bc 322 54B 2 31,-2.7 33,-2.1 -2,-0.3 301,-0.2 -0.841 31.1-134.6 -96.2 118.1 29.1 2.3 29.6 23 23 A A - 0 0 6 299,-2.5 2,-0.3 -2,-0.7 32,-0.1 -0.235 33.3 -87.0 -68.9 157.5 26.1 4.3 28.4 24 24 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 33,-0.2 -0.498 51.3-170.9 -66.1 130.5 24.5 3.4 25.1 25 25 A L - 0 0 26 30,-0.4 32,-0.3 -2,-0.3 2,-0.2 -0.873 18.7-145.6-136.1 103.1 26.4 5.3 22.3 26 26 A T + 0 0 32 -2,-0.5 45,-0.1 1,-0.2 33,-0.1 -0.485 25.7 167.0 -57.9 124.6 25.3 5.5 18.7 27 27 A R - 0 0 1 -2,-0.2 325,-2.5 43,-0.1 -1,-0.2 0.459 33.9-141.1-123.6 -7.6 28.5 5.6 16.6 28 28 A L + 0 0 2 323,-0.2 325,-0.2 1,-0.1 43,-0.2 0.848 59.6 125.8 50.7 47.3 26.9 4.9 13.1 29 29 A R + 0 0 12 41,-0.4 12,-0.2 323,-0.2 42,-0.1 0.184 31.7 123.8-117.2 16.2 29.7 2.6 11.8 30 30 A S - 0 0 3 40,-2.4 2,-0.3 1,-0.1 5,-0.1 -0.315 67.5 -93.9 -77.9 165.2 27.7 -0.4 10.8 31 31 A I B >> -L 36 0C 80 5,-2.7 5,-1.7 3,-0.1 4,-0.9 -0.541 41.8-127.7 -77.9 134.7 27.8 -2.0 7.3 32 32 A E T 45S+ 0 0 64 -2,-0.3 2,-0.2 2,-0.2 37,-0.0 -0.994 86.2 49.8-121.9 141.8 25.2 -0.9 4.8 33 33 A P T 45S+ 0 0 123 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.507 128.4 20.5 -72.2 153.0 23.4 -2.6 3.1 34 34 A G T 45S- 0 0 34 -2,-0.2 39,-0.2 1,-0.1 -2,-0.2 0.160 97.3-113.3 113.5 -14.5 22.1 -4.7 6.0 35 35 A D T <5 + 0 0 16 -4,-0.9 38,-2.0 1,-0.2 -3,-0.2 0.918 58.1 175.3 52.5 49.9 22.9 -2.5 9.0 36 36 A I B < -L 31 0C 36 -5,-1.7 -5,-2.7 36,-0.2 -1,-0.2 -0.740 33.5-120.6-100.0 126.6 25.4 -5.1 10.1 37 37 A P - 0 0 6 0, 0.0 -7,-0.1 0, 0.0 -1,-0.1 -0.289 35.6-141.8 -58.0 149.9 27.7 -4.9 13.1 38 38 A T > - 0 0 20 1,-0.1 4,-2.4 45,-0.0 5,-0.2 -0.720 24.1-109.3-115.7 160.0 31.4 -5.1 12.2 39 39 A P H > S+ 0 0 100 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.864 120.7 58.4 -55.1 -35.1 34.6 -6.7 13.5 40 40 A L H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.943 104.7 48.9 -63.5 -43.1 35.7 -3.1 14.3 41 41 A M H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.925 109.1 54.2 -61.2 -40.5 32.6 -2.6 16.5 42 42 A G H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.931 108.4 48.5 -57.6 -42.7 33.5 -5.9 18.2 43 43 A E H X S+ 0 0 104 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.951 109.3 52.9 -62.5 -47.6 37.0 -4.7 18.9 44 44 A Y H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.894 112.3 44.3 -56.2 -41.8 35.6 -1.4 20.3 45 45 A Y H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.899 111.2 54.0 -71.0 -38.1 33.3 -3.2 22.7 46 46 A R H >< S+ 0 0 109 -4,-2.3 3,-1.4 -5,-0.3 -2,-0.2 0.881 102.7 57.3 -62.0 -36.7 36.0 -5.7 23.7 47 47 A Q H 3< S+ 0 0 60 -4,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.761 110.4 45.6 -59.6 -29.0 38.3 -2.8 24.6 48 48 A R T X< S+ 0 0 0 -3,-0.8 3,-1.8 -4,-0.7 -1,-0.3 0.170 76.0 115.7-104.3 15.2 35.6 -1.6 27.0 49 49 A A T < + 0 0 5 -3,-1.4 47,-0.2 1,-0.3 -1,-0.2 0.599 59.0 74.2 -70.5 -10.6 34.8 -4.9 28.6 50 50 A S T 3 S+ 0 0 57 -3,-0.3 -1,-0.3 280,-0.3 -2,-0.1 0.577 72.1 116.5 -76.9 -6.6 36.0 -3.9 32.1 51 51 A A S < S- 0 0 1 -3,-1.8 45,-0.4 279,-0.2 3,-0.2 -0.274 80.1-121.3 -53.9 146.1 32.8 -1.8 32.5 52 52 A G S S- 0 0 0 -32,-2.5 2,-0.3 1,-0.3 -31,-0.2 0.908 99.4 -7.2 -53.3 -41.7 30.4 -2.9 35.2 53 53 A L E -c 21 0B 2 -33,-0.5 -31,-2.7 -37,-0.1 2,-0.5 -0.922 68.5-142.7-154.2 130.2 28.0 -3.2 32.3 54 54 A I E -cd 22 97B 1 42,-2.7 44,-3.0 -2,-0.3 2,-0.5 -0.885 12.7-160.9 -89.7 130.1 28.2 -2.3 28.7 55 55 A I E - d 0 98B 0 -33,-2.1 -30,-0.4 -2,-0.5 44,-0.2 -0.947 23.9-127.6-106.0 124.8 25.0 -0.9 27.2 56 56 A S - 0 0 0 42,-3.2 3,-0.1 -2,-0.5 -30,-0.1 -0.187 27.6 -86.3 -70.0 160.7 25.2 -1.1 23.4 57 57 A E - 0 0 2 -32,-0.3 43,-0.5 -33,-0.2 -1,-0.1 -0.279 68.4 -75.2 -47.6 148.6 24.6 1.5 20.9 58 58 A A - 0 0 1 41,-0.1 2,-0.4 43,-0.1 43,-0.2 -0.273 58.2-161.3 -57.0 136.4 20.9 1.8 20.1 59 59 A T E -e 101 0B 0 41,-2.4 43,-2.2 -3,-0.1 14,-0.3 -0.974 17.6-109.7-130.5 133.5 19.9 -1.0 17.8 60 60 A Q E -ef 102 73B 0 12,-2.6 14,-2.2 -2,-0.4 43,-0.2 -0.348 11.1-159.4 -65.0 134.9 16.9 -1.4 15.5 61 61 A I S S- 0 0 5 41,-1.6 2,-0.3 12,-0.2 -1,-0.1 0.643 82.2 -1.3 -79.2 -18.3 14.1 -3.9 16.4 62 62 A S S S- 0 0 14 40,-0.3 4,-0.3 1,-0.1 -1,-0.1 -0.960 79.0 -99.0-158.3 169.9 13.1 -3.9 12.7 63 63 A A S > S+ 0 0 45 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.902 122.6 57.1 -65.1 -39.0 13.9 -2.3 9.4 64 64 A Q T 3 S+ 0 0 47 1,-0.3 56,-0.2 49,-0.1 -1,-0.2 0.830 97.2 65.8 -55.9 -33.5 11.1 0.2 9.9 65 65 A A T 3 S+ 0 0 0 38,-0.1 39,-2.2 39,-0.1 -1,-0.3 0.682 76.9 112.3 -65.9 -16.4 12.7 1.2 13.1 66 66 A K < + 0 0 19 -3,-1.8 43,-0.3 -4,-0.3 46,-0.1 -0.318 23.8 152.1 -64.4 134.9 15.8 2.6 11.3 67 67 A G + 0 0 0 1,-0.3 2,-0.4 41,-0.2 65,-0.3 0.495 60.4 54.3-135.3 -9.8 16.3 6.3 11.5 68 68 A Y S > S- 0 0 21 63,-0.1 3,-1.4 44,-0.1 2,-0.3 -0.990 79.6-121.1-127.4 133.0 20.1 6.8 11.2 69 69 A A T 3 S+ 0 0 3 63,-2.7 -37,-0.1 -2,-0.4 283,-0.0 -0.592 101.9 26.5 -69.0 130.2 22.4 5.5 8.4 70 70 A G T 3 S+ 0 0 0 1,-0.4 -40,-2.4 -2,-0.3 -41,-0.4 0.300 86.2 128.6 98.6 -8.4 25.0 3.2 10.1 71 71 A A < - 0 0 1 -3,-1.4 -1,-0.4 -43,-0.2 -12,-0.1 -0.652 58.2-121.1 -79.8 135.9 22.9 2.2 13.1 72 72 A P - 0 0 0 0, 0.0 -12,-2.6 0, 0.0 2,-0.2 -0.328 20.5-144.6 -77.4 159.4 22.9 -1.6 13.6 73 73 A G B -f 60 0B 0 -38,-2.0 -12,-0.2 -14,-0.3 -10,-0.1 -0.721 14.4-159.2-114.0 170.2 19.8 -3.9 13.6 74 74 A L S S+ 0 0 0 -14,-2.2 95,-0.2 -2,-0.2 96,-0.1 -0.258 76.0 82.5-139.4 43.4 18.9 -7.0 15.6 75 75 A H S S+ 0 0 59 94,-0.1 -14,-0.1 -13,-0.0 -12,-0.1 0.584 76.3 68.4-121.6 -20.2 16.2 -8.3 13.3 76 76 A S S > S- 0 0 20 -42,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.660 80.0-118.8-106.9 157.9 18.1 -10.2 10.4 77 77 A P H > S+ 0 0 97 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.913 116.3 52.6 -57.1 -40.2 20.1 -13.4 10.4 78 78 A E H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.884 110.9 47.1 -62.1 -41.1 23.2 -11.5 9.3 79 79 A Q H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.947 111.1 51.2 -66.8 -45.7 22.8 -9.0 12.2 80 80 A I H X S+ 0 0 18 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.937 109.9 49.6 -56.6 -44.4 22.2 -11.8 14.7 81 81 A A H X S+ 0 0 53 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.883 112.1 47.8 -67.1 -34.1 25.4 -13.6 13.6 82 82 A A H X S+ 0 0 11 -4,-1.7 4,-1.5 2,-0.2 3,-0.5 0.923 110.6 50.8 -70.6 -42.4 27.5 -10.5 13.8 83 83 A W H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.866 102.1 62.5 -64.2 -35.0 26.2 -9.6 17.3 84 84 A K H X S+ 0 0 85 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.890 103.8 48.9 -57.0 -37.3 27.0 -13.1 18.4 85 85 A K H X S+ 0 0 144 -4,-1.1 4,-1.9 -3,-0.5 -1,-0.2 0.881 111.1 49.9 -70.1 -35.8 30.7 -12.4 17.7 86 86 A I H X S+ 0 0 4 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.932 111.8 45.4 -69.0 -44.2 30.6 -9.1 19.6 87 87 A T H X S+ 0 0 4 -4,-2.9 4,-2.5 86,-0.3 5,-0.2 0.890 111.2 55.2 -69.0 -33.7 29.0 -10.6 22.7 88 88 A A H X S+ 0 0 56 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.887 106.8 50.8 -62.3 -37.1 31.4 -13.5 22.6 89 89 A G H X S+ 0 0 9 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.891 111.3 47.0 -64.6 -43.9 34.3 -11.0 22.6 90 90 A V H ><>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 3,-0.7 0.939 113.0 48.9 -64.3 -43.6 33.0 -9.2 25.6 91 91 A H H ><5S+ 0 0 66 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.838 102.8 61.7 -64.6 -34.0 32.4 -12.4 27.5 92 92 A A H 3<5S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.6 47.1 -62.1 -28.2 35.9 -13.6 26.6 93 93 A E T <<5S- 0 0 101 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.185 123.3-107.9 -97.4 14.0 37.1 -10.6 28.6 94 94 A D T < 5S+ 0 0 132 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.765 74.0 138.1 69.5 27.5 34.7 -11.4 31.5 95 95 A G < - 0 0 5 -5,-2.7 2,-0.3 -8,-0.1 -1,-0.2 -0.364 48.1-130.3 -98.8-178.1 32.4 -8.5 30.7 96 96 A R - 0 0 32 -45,-0.4 -42,-2.7 -47,-0.2 2,-0.4 -0.981 21.2-168.3-128.1 137.2 28.6 -8.0 30.6 97 97 A I E -d 54 0B 0 -2,-0.3 79,-2.8 -44,-0.2 80,-1.0 -0.983 9.4-167.7-141.1 131.5 26.6 -6.5 27.7 98 98 A A E -dg 55 177B 0 -44,-3.0 -42,-3.2 -2,-0.4 2,-0.6 -0.864 21.2-133.0-105.3 141.8 23.1 -5.3 27.3 99 99 A V E - g 0 178B 0 78,-2.0 80,-2.9 -2,-0.3 2,-0.6 -0.889 13.2-142.3 -98.1 125.8 21.6 -4.4 23.9 100 100 A Q E - g 0 179B 4 -2,-0.6 -41,-2.4 -43,-0.5 2,-0.5 -0.793 19.9-158.3 -86.1 124.6 19.7 -1.1 23.7 101 101 A L E +eg 59 180B 0 78,-2.7 80,-2.9 -2,-0.6 2,-0.3 -0.906 16.3 171.2-109.0 125.5 16.7 -1.6 21.4 102 102 A W E -e 60 0B 2 -43,-2.2 -41,-1.6 -2,-0.5 2,-0.4 -0.879 34.2-156.8-127.9 162.9 14.9 1.3 19.7 103 103 A H - 0 0 3 78,-0.3 84,-2.7 -2,-0.3 85,-0.4 -0.983 19.7-156.6-122.3 121.4 12.3 2.2 17.2 104 104 A T > - 0 0 0 -39,-2.2 3,-2.1 -2,-0.4 -38,-0.1 0.701 21.3-179.4 -77.6 -15.4 13.2 5.8 16.0 105 105 A G T 3 + 0 0 1 1,-0.3 -1,-0.2 81,-0.1 15,-0.2 -0.318 69.8 0.3 52.8-127.7 9.7 6.6 14.9 106 106 A R T 3 S+ 0 0 13 1,-0.2 2,-1.8 79,-0.2 21,-0.5 0.556 113.1 86.8 -74.8 -5.0 9.6 10.2 13.5 107 107 A I S < S+ 0 0 0 -3,-2.1 2,-0.3 78,-0.2 -1,-0.2 -0.627 82.7 82.0 -90.4 79.4 13.3 10.8 14.1 108 108 A S S S- 0 0 0 -2,-1.8 38,-2.0 38,-0.3 2,-0.3 -0.883 73.1-118.7-161.8-177.3 14.0 9.3 10.7 109 109 A H > - 0 0 37 -43,-0.3 3,-1.9 -2,-0.3 4,-0.4 -0.999 20.6-127.0-143.9 141.7 14.1 9.9 7.0 110 110 A S G > S+ 0 0 34 -2,-0.3 3,-1.5 1,-0.3 6,-0.1 0.813 102.9 71.2 -58.8 -29.8 12.1 8.3 4.1 111 111 A S G 3 S+ 0 0 75 1,-0.3 -1,-0.3 5,-0.1 4,-0.1 0.641 105.9 38.1 -67.2 -11.8 15.2 7.5 2.2 112 112 A I G < S+ 0 0 32 -3,-1.9 -1,-0.3 5,-0.1 -2,-0.2 0.382 97.3 98.2-117.7 7.3 16.2 4.8 4.7 113 113 A Q S X S- 0 0 15 -3,-1.5 3,-2.4 -4,-0.4 -49,-0.1 -0.526 91.9 -82.4 -84.4 156.4 12.7 3.5 5.4 114 114 A P G > S+ 0 0 72 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.355 119.2 6.7 -56.2 132.8 11.3 0.3 3.7 115 115 A G G 3 S- 0 0 70 1,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.501 120.0 -85.9 73.7 4.2 10.1 1.3 0.2 116 116 A G G < S+ 0 0 40 -3,-2.4 -1,-0.3 1,-0.2 2,-0.1 0.756 88.9 146.7 67.4 25.8 11.4 4.8 0.7 117 117 A Q < - 0 0 128 -3,-1.5 -4,-0.3 1,-0.2 -1,-0.2 -0.360 55.8 -74.5 -96.1 173.4 8.2 5.7 2.5 118 118 A A - 0 0 40 -2,-0.1 -1,-0.2 -3,-0.1 -9,-0.1 -0.327 51.1-113.9 -63.9 145.9 7.4 8.1 5.3 119 119 A P - 0 0 1 0, 0.0 30,-2.7 0, 0.0 2,-0.2 -0.208 32.9-114.8 -71.4 169.9 8.4 7.0 8.8 120 120 A V E +m 149 0D 1 28,-0.3 2,-0.3 -56,-0.2 30,-0.2 -0.711 37.7 152.8-113.1 158.7 5.8 6.3 11.5 121 121 A S E -m 150 0D 0 28,-1.7 30,-3.0 -2,-0.2 -16,-0.1 -0.928 58.5 -83.9-161.0-176.7 4.9 7.8 14.8 122 122 A A S S+ 0 0 1 -2,-0.3 2,-0.3 28,-0.2 75,-0.1 0.864 112.9 11.1 -67.2 -34.6 2.0 8.3 17.3 123 123 A S S S- 0 0 12 73,-0.4 2,-1.3 2,-0.2 -1,-0.1 -0.878 84.8-101.9-138.2 168.0 0.9 11.3 15.3 124 124 A A S S+ 0 0 63 -2,-0.3 2,-0.4 26,-0.1 25,-0.1 -0.533 74.2 126.4 -94.0 65.9 1.6 12.9 11.9 125 125 A L - 0 0 50 -2,-1.3 -2,-0.2 71,-0.2 -3,-0.1 -0.983 62.3-116.0-123.1 130.8 3.8 15.7 13.3 126 126 A N - 0 0 39 -2,-0.4 21,-0.1 21,-0.1 -19,-0.1 -0.402 14.2-135.8 -68.8 146.8 7.4 16.5 12.1 127 127 A A - 0 0 1 -21,-0.5 -1,-0.1 19,-0.3 3,-0.1 0.699 26.4-145.3 -69.2 -22.1 10.1 16.0 14.7 128 128 A N + 0 0 114 1,-0.2 2,-0.2 17,-0.2 -21,-0.1 0.852 62.6 97.1 56.7 40.0 11.7 19.3 13.5 129 129 A T S S- 0 0 21 14,-0.1 16,-2.3 112,-0.0 2,-0.4 -0.702 74.1 -95.5-138.1-167.9 15.2 18.0 14.1 130 130 A R E -N 144 0E 113 14,-0.2 14,-0.2 -2,-0.2 2,-0.2 -0.929 26.3-170.3-117.8 143.0 18.1 16.4 12.2 131 131 A T E -N 143 0E 3 12,-3.0 12,-2.3 -2,-0.4 2,-0.5 -0.536 30.1-104.0-112.3-173.7 19.0 12.8 11.7 132 132 A S E +N 142 0E 13 -65,-0.3 -63,-2.7 10,-0.2 10,-0.2 -0.976 37.5 170.9-121.0 120.7 22.2 11.4 10.2 133 133 A L E -N 141 0E 16 8,-2.4 8,-2.6 -2,-0.5 2,-0.4 -0.515 32.5-112.1-105.4 178.5 22.4 9.9 6.7 134 134 A R E -N 140 0E 60 6,-0.2 6,-0.2 -2,-0.2 -64,-0.0 -0.953 25.7-138.7-114.7 139.4 25.4 8.8 4.6 135 135 A D > - 0 0 43 4,-2.6 3,-2.3 -2,-0.4 6,-0.0 -0.131 44.4 -78.7 -82.5-173.2 26.5 10.7 1.5 136 136 A E T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.685 132.7 52.0 -66.8 -11.5 27.7 9.1 -1.7 137 137 A N T 3 S- 0 0 128 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.303 120.8-104.8-101.7 6.7 31.1 8.5 -0.2 138 138 A G S < S+ 0 0 39 -3,-2.3 215,-0.4 1,-0.3 2,-0.3 0.655 74.2 142.2 81.0 13.3 29.8 6.8 3.0 139 139 A N - 0 0 81 213,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.704 56.9-107.4 -91.8 141.2 30.4 9.9 5.2 140 140 A A E +N 134 0E 34 -2,-0.3 2,-0.3 211,-0.2 -6,-0.2 -0.425 43.9 175.0 -66.1 137.6 27.9 10.9 7.9 141 141 A I E -N 133 0E 69 -8,-2.6 -8,-2.4 -2,-0.1 2,-0.3 -0.987 30.5-111.8-145.2 148.5 25.8 14.0 7.1 142 142 A R E +N 132 0E 205 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.588 34.9 177.9 -82.8 143.3 22.9 15.8 8.8 143 143 A V E -N 131 0E 34 -12,-2.3 -12,-3.0 -2,-0.3 2,-0.1 -1.000 33.4-106.2-143.5 140.3 19.5 15.8 7.2 144 144 A D E -N 130 0E 105 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.0 -0.415 46.6-103.7 -60.9 141.1 16.1 17.2 8.3 145 145 A T - 0 0 7 -16,-2.3 2,-0.2 1,-0.1 -36,-0.2 -0.335 32.6-115.4 -67.6 146.0 13.7 14.6 9.5 146 146 A T - 0 0 26 -38,-2.0 -19,-0.3 1,-0.1 -38,-0.3 -0.573 33.2-101.3 -79.4 143.1 10.8 13.4 7.3 147 147 A T - 0 0 75 -2,-0.2 -21,-0.1 -21,-0.1 -1,-0.1 -0.476 47.4-132.1 -64.5 129.9 7.2 14.1 8.3 148 148 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -28,-0.3 -0.306 1.8-122.7 -83.6 164.2 5.8 10.9 9.8 149 149 A R E -m 120 0D 97 -30,-2.7 -28,-1.7 -25,-0.1 2,-0.3 -0.845 34.8-111.5 -94.0 137.7 2.6 9.0 9.2 150 150 A A E -m 121 0D 35 -2,-0.4 -28,-0.2 -30,-0.2 -27,-0.1 -0.594 35.8-112.1 -71.2 129.9 0.4 8.3 12.3 151 151 A L - 0 0 4 -30,-3.0 2,-0.2 -2,-0.3 -1,-0.1 -0.376 30.1-124.5 -57.1 136.7 0.3 4.6 13.1 152 152 A E > - 0 0 122 1,-0.1 3,-2.0 -3,-0.0 4,-0.5 -0.552 24.5-110.5 -77.8 151.8 -3.1 3.1 12.6 153 153 A L G > S+ 0 0 79 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.907 117.8 53.8 -50.0 -44.5 -4.6 1.4 15.6 154 154 A D G 3 S+ 0 0 137 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.564 99.5 63.9 -78.5 -0.1 -4.2 -2.1 14.0 155 155 A E G <> S+ 0 0 53 -3,-2.0 4,-1.2 2,-0.1 -1,-0.3 0.586 82.8 79.2 -87.0 -12.4 -0.5 -1.5 13.4 156 156 A I H X> S+ 0 0 2 -3,-1.7 4,-2.2 -4,-0.5 3,-0.6 0.923 85.6 55.8 -69.7 -43.5 0.3 -1.2 17.1 157 157 A P H 3> S+ 0 0 84 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.887 105.3 55.6 -53.2 -37.8 0.3 -5.0 17.9 158 158 A G H 3> S+ 0 0 35 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.869 105.3 51.1 -60.1 -38.7 2.9 -5.3 15.1 159 159 A I H S+ 0 0 0 -4,-2.4 5,-2.1 2,-0.2 4,-0.4 0.896 106.4 52.1 -62.4 -39.6 19.0 -10.7 21.6 171 171 A R H ><5S+ 0 0 136 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.953 111.4 45.7 -61.5 -50.8 18.8 -13.8 23.7 172 172 A E H 3<5S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.2 58.8 -62.0 -30.9 20.0 -16.0 20.8 173 173 A A T 3<5S- 0 0 1 -4,-2.2 -86,-0.3 -5,-0.2 -1,-0.3 0.558 117.8-112.1 -78.0 -4.9 22.7 -13.4 20.1 174 174 A G T < 5 + 0 0 28 -3,-1.6 -3,-0.2 -4,-0.4 -77,-0.2 0.600 59.4 155.2 89.7 14.4 24.2 -13.8 23.6 175 175 A F < - 0 0 6 -5,-2.1 -1,-0.3 1,-0.1 -77,-0.2 -0.456 40.2-142.6 -66.2 151.8 23.4 -10.5 25.2 176 176 A D S S- 0 0 25 -79,-2.8 2,-0.3 1,-0.2 -78,-0.2 0.772 78.0 -4.4 -80.0 -27.2 23.1 -10.6 29.0 177 177 A L E -g 98 0B 0 -80,-1.0 -78,-2.0 -165,-0.1 2,-0.4 -0.948 64.9-128.2-154.0 165.2 20.3 -8.1 29.2 178 178 A V E -gh 99 230B 0 51,-2.6 53,-2.7 -2,-0.3 2,-0.5 -0.952 11.6-153.3-120.0 149.5 18.2 -5.8 27.0 179 179 A E E -gh 100 231B 0 -80,-2.9 -78,-2.7 -2,-0.4 2,-0.4 -0.970 13.6-141.6-121.0 117.3 17.5 -2.1 27.4 180 180 A L E -gh 101 232B 0 51,-2.5 53,-3.0 -2,-0.5 2,-1.5 -0.625 16.5-133.0 -73.5 127.2 14.3 -0.7 26.0 181 181 A H E + h 0 233B 6 -80,-2.9 7,-0.5 -2,-0.4 -78,-0.3 -0.626 45.8 151.8 -85.8 91.0 14.9 2.8 24.5 182 182 A S + 0 0 1 51,-1.7 53,-0.5 -2,-1.5 2,-0.2 0.014 51.9 72.2-105.4 28.1 12.0 4.7 26.0 183 183 A A > + 0 0 0 51,-0.2 3,-1.8 1,-0.1 6,-0.3 -0.599 65.6 43.5-129.0-178.8 13.7 8.0 26.0 184 184 A H T 3 S- 0 0 37 1,-0.3 -1,-0.1 -2,-0.2 50,-0.0 0.644 116.3 -59.8 55.6 29.3 15.1 10.9 24.0 185 185 A G T 3 S+ 0 0 0 1,-0.2 -1,-0.3 50,-0.1 -79,-0.2 0.588 95.4 132.5 87.8 0.4 12.3 11.5 21.5 186 186 A Y S <> S- 0 0 16 -3,-1.8 4,-2.7 -81,-0.1 -82,-0.2 -0.073 75.9 -70.8 -84.2-170.1 12.2 8.0 19.8 187 187 A L H > S+ 0 0 0 -84,-2.7 4,-1.6 1,-0.2 5,-0.2 0.892 130.5 45.5 -58.7 -47.9 9.0 6.1 19.3 188 188 A L H > S+ 0 0 2 -7,-0.5 4,-2.0 -85,-0.4 3,-0.4 0.938 117.5 46.6 -61.0 -42.1 8.1 5.0 22.8 189 189 A H H > S+ 0 0 2 -6,-0.3 4,-2.2 -8,-0.3 -1,-0.2 0.856 104.7 61.7 -67.4 -34.3 8.8 8.5 24.1 190 190 A Q H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 108.9 42.6 -57.1 -34.1 6.8 9.9 21.2 191 191 A F H < S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.855 112.8 53.8 -77.1 -38.6 3.8 8.1 22.6 192 192 A L H < S+ 0 0 19 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.829 97.1 73.8 -64.5 -35.2 4.6 9.1 26.1 193 193 A S >X - 0 0 0 -4,-2.2 3,-1.2 1,-0.1 4,-0.8 -0.697 67.6-148.3 -90.8 128.4 4.8 12.8 25.5 194 194 A P T 34 S+ 0 0 45 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.806 97.6 66.5 -58.2 -26.6 1.7 15.0 25.0 195 195 A S T 34 S+ 0 0 45 49,-0.3 50,-0.1 1,-0.2 -5,-0.1 0.822 113.6 27.8 -66.8 -29.2 3.8 17.2 22.7 196 196 A S T <4 S+ 0 0 0 -3,-1.2 2,-0.4 -6,-0.2 -73,-0.4 0.314 113.6 71.9-113.4 2.9 4.2 14.4 20.1 197 197 A N < + 0 0 9 -4,-0.8 8,-0.3 -3,-0.4 -1,-0.1 -0.954 36.8 152.9-127.3 107.5 1.0 12.5 20.8 198 198 A Q + 0 0 132 -2,-0.4 6,-0.1 6,-0.1 -1,-0.1 -0.025 31.5 143.5-116.5 23.6 -2.4 13.9 19.8 199 199 A R - 0 0 28 4,-0.2 -76,-0.1 1,-0.1 -2,-0.1 -0.311 39.6-159.5 -65.9 150.4 -4.1 10.5 19.3 200 200 A T + 0 0 145 5,-0.1 -1,-0.1 3,-0.0 2,-0.1 0.197 67.2 82.6-114.5 12.1 -7.8 10.2 20.4 201 201 A D S > S- 0 0 39 8,-0.0 3,-1.6 4,-0.0 8,-0.0 -0.208 109.2 -72.5 -97.6-167.0 -7.8 6.4 20.8 202 202 A Q T 3 S+ 0 0 81 1,-0.3 10,-0.2 -2,-0.1 -3,-0.0 0.449 128.4 65.4 -73.8 3.2 -6.6 4.5 23.9 203 203 A Y T 3 S+ 0 0 13 9,-0.1 2,-0.3 -81,-0.1 -1,-0.3 0.261 102.3 51.3-103.7 8.2 -2.9 5.3 23.0 204 204 A G S < S+ 0 0 4 -3,-1.6 2,-0.7 -6,-0.1 -6,-0.1 -0.926 87.5 32.4-139.6 165.1 -3.4 9.1 23.5 205 205 A G S S+ 0 0 52 -8,-0.3 -3,-0.1 -2,-0.3 -8,-0.1 -0.826 95.7 50.9 100.1-106.8 -4.7 11.6 26.0 206 206 A S S > S- 0 0 52 -2,-0.7 4,-2.9 1,-0.1 5,-0.2 -0.131 87.2-109.2 -62.0 161.9 -4.3 10.6 29.6 207 207 A V H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.878 120.9 57.1 -61.5 -35.6 -1.0 9.4 31.1 208 208 A E H 4 S+ 0 0 96 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.921 111.0 42.8 -60.2 -41.9 -2.4 5.9 31.3 209 209 A N H >> S+ 0 0 36 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.917 113.5 51.3 -69.4 -44.3 -3.1 6.0 27.6 210 210 A R H 3< S+ 0 0 22 -4,-2.9 4,-0.4 1,-0.3 3,-0.2 0.801 113.4 44.6 -65.3 -30.7 0.2 7.5 26.7 211 211 A A T 3X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.3 0.444 89.2 93.9 -89.9 -4.0 2.2 4.9 28.7 212 212 A R H <> S+ 0 0 89 -3,-0.9 4,-2.5 -4,-0.4 5,-0.2 0.913 83.1 48.0 -56.4 -49.8 0.1 2.1 27.3 213 213 A L H X S+ 0 0 0 -4,-0.5 4,-2.3 -3,-0.2 5,-0.2 0.964 112.5 47.1 -59.0 -51.8 2.4 1.2 24.4 214 214 A V H > S+ 0 0 1 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.919 114.2 48.1 -60.9 -36.4 5.6 1.1 26.4 215 215 A L H X S+ 0 0 10 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.890 108.8 52.9 -74.1 -34.8 4.0 -1.0 29.1 216 216 A E H X S+ 0 0 64 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.904 111.4 48.7 -55.9 -41.2 2.6 -3.4 26.5 217 217 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.951 109.4 50.8 -67.0 -47.9 6.1 -3.7 25.2 218 218 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.940 112.0 47.5 -57.2 -45.7 7.5 -4.3 28.7 219 219 A D H X S+ 0 0 71 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.922 111.7 50.5 -63.7 -41.2 5.0 -7.1 29.3 220 220 A A H X S+ 0 0 19 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.918 113.4 44.0 -63.4 -39.5 5.7 -8.7 25.9 221 221 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.850 111.3 53.4 -78.9 -29.3 9.4 -8.8 26.4 222 222 A C H < S+ 0 0 23 -4,-2.2 5,-0.2 -5,-0.3 -1,-0.2 0.895 113.0 44.8 -66.1 -38.1 9.1 -10.0 30.0 223 223 A N H < S+ 0 0 141 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.873 111.8 53.2 -70.1 -35.7 7.0 -12.8 28.8 224 224 A E H < S- 0 0 59 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.947 135.4 -8.2 -65.7 -46.6 9.3 -13.5 25.9 225 225 A W S < S- 0 0 35 -4,-2.4 2,-0.3 -5,-0.1 -3,-0.1 0.480 107.5 -63.3-115.3-104.2 12.4 -13.8 28.0 226 226 A S > - 0 0 48 -5,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.963 30.1-120.3-155.5 143.7 12.4 -13.0 31.7 227 227 A A G > S+ 0 0 24 -2,-0.3 3,-1.5 1,-0.3 39,-1.5 0.810 112.2 61.7 -56.7 -34.2 11.8 -9.8 33.8 228 228 A D G 3 S+ 0 0 63 1,-0.3 -215,-2.2 37,-0.2 -1,-0.3 0.434 101.6 55.0 -75.3 4.9 15.3 -10.0 35.3 229 229 A R G < S+ 0 0 64 -3,-2.1 -51,-2.6 -217,-0.2 2,-0.5 0.466 93.5 87.9-104.8 -7.1 16.7 -9.6 31.7 230 230 A I E < +h 178 0B 0 -3,-1.5 36,-1.7 -4,-0.3 37,-1.1 -0.837 46.3 171.4-107.1 126.4 14.9 -6.4 30.9 231 231 A G E -hi 179 267B 0 -53,-2.7 -51,-2.5 -2,-0.5 2,-0.4 -0.808 15.4-152.5-116.0 164.3 16.0 -2.9 31.6 232 232 A I E -hi 180 268B 0 35,-1.2 37,-3.0 -2,-0.3 2,-0.5 -1.000 4.9-149.2-139.6 141.0 14.4 0.3 30.4 233 233 A R E +hi 181 269B 17 -53,-3.0 -51,-1.7 -2,-0.4 2,-0.3 -0.932 22.5 174.5-108.0 128.1 15.8 3.8 29.7 234 234 A V E - i 0 270B 3 35,-2.5 37,-2.9 -2,-0.5 -51,-0.2 -0.893 25.9-167.4-125.6 158.1 13.5 6.8 30.2 235 235 A S + 0 0 1 -53,-0.5 -50,-0.1 -2,-0.3 -51,-0.1 -0.588 30.3 154.4-137.2 67.1 14.1 10.6 30.0 236 236 A P + 0 0 10 0, 0.0 2,-0.4 0, 0.0 17,-0.2 0.375 51.7 63.1 -92.0 2.9 10.9 11.7 31.7 237 237 A I S S+ 0 0 10 34,-0.3 2,-0.2 16,-0.1 44,-0.1 -0.990 99.1 5.4-129.1 125.4 12.0 15.1 33.1 238 238 A G S S- 0 0 13 -2,-0.4 2,-0.4 40,-0.1 7,-0.3 -0.561 93.5 -58.4 99.8-172.7 13.0 17.9 30.8 239 239 A T - 0 0 78 38,-0.2 2,-0.4 5,-0.2 35,-0.3 -0.930 42.6-170.7-119.9 134.8 13.0 18.3 27.0 240 240 A F B > S-O 243 0F 3 3,-2.5 3,-2.5 -2,-0.4 -5,-0.0 -0.982 71.6 -22.8-133.8 118.6 14.9 16.0 24.7 241 241 A Q T 3 S- 0 0 54 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.911 129.1 -47.6 42.9 54.6 15.3 16.6 20.9 242 242 A N T 3 S+ 0 0 93 1,-0.2 2,-0.7 -3,-0.0 -1,-0.3 0.449 116.6 115.3 70.3 2.5 12.2 18.9 21.0 243 243 A V B < -O 240 0F 0 -3,-2.5 -3,-2.5 -47,-0.0 -1,-0.2 -0.882 44.3-174.3-105.4 115.6 10.1 16.3 22.9 244 244 A D - 0 0 63 -2,-0.7 -49,-0.3 -5,-0.3 -5,-0.2 -0.283 31.6-116.0 -91.6-172.6 9.1 17.5 26.4 245 245 A N - 0 0 15 1,-0.3 3,-0.4 -7,-0.3 7,-0.1 0.134 54.8-104.8-116.6 22.4 7.3 15.5 29.1 246 246 A G > - 0 0 15 1,-0.2 3,-0.8 2,-0.1 -1,-0.3 -0.084 44.4 -64.8 84.1 171.6 4.1 17.4 29.4 247 247 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.492 133.2 44.5 -79.5 -2.0 2.8 19.9 32.0 248 248 A N T 3> S+ 0 0 98 -3,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.300 70.8 146.5-131.9 48.3 2.7 17.2 34.7 249 249 A E H <> + 0 0 46 -3,-0.8 4,-2.1 1,-0.2 5,-0.2 0.876 68.7 49.2 -63.0 -38.7 6.0 15.6 34.0 250 250 A E H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 114.6 42.9 -67.7 -48.9 6.8 14.7 37.6 251 251 A A H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.919 115.9 49.6 -59.4 -43.1 3.5 13.0 38.4 252 252 A D H X S+ 0 0 26 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.860 109.0 53.0 -64.3 -37.4 3.4 11.2 35.0 253 253 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.933 109.4 48.0 -63.7 -43.9 7.0 10.0 35.6 254 254 A L H X S+ 0 0 15 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.889 109.0 54.2 -68.6 -35.3 6.1 8.5 38.9 255 255 A Y H X S+ 0 0 53 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.961 110.9 45.8 -54.8 -56.0 3.0 6.8 37.4 256 256 A L H X S+ 0 0 6 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.930 112.3 50.2 -56.4 -44.6 5.2 5.2 34.8 257 257 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.933 109.1 51.8 -69.0 -38.7 7.9 4.1 37.3 258 258 A E H X S+ 0 0 87 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.928 111.0 47.8 -58.9 -42.1 5.2 2.6 39.5 259 259 A E H X S+ 0 0 33 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.928 111.6 50.3 -65.0 -42.7 3.8 0.6 36.6 260 260 A L H ><>S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 5,-0.7 0.902 104.8 57.8 -60.2 -39.3 7.3 -0.6 35.6 261 261 A A H ><5S+ 0 0 18 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.865 95.3 65.3 -63.4 -32.5 8.0 -1.7 39.2 262 262 A K H 3<5S+ 0 0 146 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.736 97.7 55.4 -58.6 -24.8 5.0 -4.0 39.0 263 263 A R T <<5S- 0 0 61 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.569 101.7-134.6 -88.9 -7.0 6.8 -6.0 36.3 264 264 A G T < 5 + 0 0 52 -3,-1.6 -3,-0.1 -4,-0.4 -2,-0.1 0.831 38.9 176.6 60.8 38.4 9.8 -6.6 38.5 265 265 A I < - 0 0 5 -5,-0.7 -37,-0.2 1,-0.1 -34,-0.1 -0.149 39.9-108.3 -74.7 167.8 12.3 -5.8 35.8 266 266 A A S S- 0 0 4 -36,-1.7 30,-2.1 -39,-1.5 -254,-0.4 0.896 83.8 -5.9 -69.1 -40.5 16.0 -5.7 36.2 267 267 A Y E -ij 231 296B 0 -37,-1.1 -35,-1.2 28,-0.2 2,-0.4 -0.998 43.1-140.3-158.7 161.7 16.7 -1.9 36.0 268 268 A L E -ij 232 297B 0 28,-2.5 30,-2.7 -2,-0.3 2,-0.7 -0.994 21.0-161.7-120.7 117.6 15.5 1.6 35.5 269 269 A H E -ij 233 298B 0 -37,-3.0 -35,-2.5 -2,-0.4 2,-0.7 -0.910 6.1-158.7-107.2 111.9 18.0 3.9 33.6 270 270 A M E -ij 234 299B 6 28,-3.0 30,-1.5 -2,-0.7 2,-0.8 -0.846 5.4-160.3 -95.7 110.2 17.3 7.6 34.1 271 271 A S E - j 0 300B 5 -37,-2.9 -34,-0.3 -2,-0.7 30,-0.2 -0.814 12.9-171.1 -84.1 109.5 18.7 9.8 31.4 272 272 A E + 0 0 6 28,-2.7 2,-0.3 -2,-0.8 29,-0.2 0.781 54.8 16.8 -84.7 -28.9 18.6 13.2 33.3 273 273 A T - 0 0 31 27,-0.3 5,-0.2 -35,-0.1 -1,-0.1 -0.973 68.7-115.3-144.3 158.0 19.5 15.7 30.6 274 274 A D - 0 0 44 3,-0.7 -34,-0.1 -2,-0.3 -35,-0.0 -0.421 47.2 -99.8 -75.6 168.2 19.7 16.3 26.9 275 275 A L S S+ 0 0 127 -2,-0.1 -1,-0.1 2,-0.0 3,-0.1 0.857 121.3 55.2 -61.2 -32.8 23.1 16.9 25.4 276 276 A A S S- 0 0 64 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.007 120.8 -63.7 -78.3-162.5 22.1 20.6 25.5 277 277 A G - 0 0 66 -4,-0.1 -3,-0.7 0, 0.0 2,-0.3 -0.172 47.8-174.5 -85.5-166.2 21.1 21.4 29.0 278 278 A G - 0 0 39 -5,-0.2 -40,-0.1 -3,-0.1 3,-0.1 -0.930 37.9 -94.9-161.4 151.8 18.4 20.4 31.5 279 279 A K - 0 0 126 -2,-0.3 3,-0.1 1,-0.1 -42,-0.0 -0.494 53.0-108.6 -69.3 140.9 17.3 21.4 35.0 280 280 A P - 0 0 108 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.265 34.1-100.1 -68.5 150.4 19.0 19.1 37.5 281 281 A Y - 0 0 21 1,-0.1 2,-0.2 -3,-0.1 -9,-0.0 -0.457 35.7-124.4 -68.2 142.2 16.9 16.6 39.4 282 282 A S > - 0 0 63 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.522 16.1-122.7 -79.9 154.4 15.9 17.6 42.9 283 283 A E H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 113.2 58.6 -64.5 -35.3 16.9 15.3 45.7 284 284 A A H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 106.0 47.3 -58.3 -43.7 13.2 15.0 46.7 285 285 A F H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.934 108.8 53.9 -65.8 -44.4 12.4 13.7 43.2 286 286 A R H X S+ 0 0 21 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.896 108.3 51.6 -53.1 -38.7 15.2 11.2 43.4 287 287 A Q H X S+ 0 0 103 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.902 108.3 50.3 -65.0 -38.8 13.7 10.0 46.6 288 288 A K H < S+ 0 0 67 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.858 113.3 46.4 -68.8 -36.1 10.3 9.6 45.1 289 289 A V H >X S+ 0 0 6 -4,-2.5 3,-1.7 1,-0.2 4,-0.8 0.957 110.5 52.7 -68.2 -48.9 11.7 7.6 42.3 290 290 A R H >< S+ 0 0 59 -4,-2.9 3,-0.7 1,-0.3 -2,-0.2 0.866 106.9 51.6 -56.5 -39.3 13.8 5.5 44.6 291 291 A E T 3< S+ 0 0 128 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.588 109.4 51.5 -77.6 -7.3 10.9 4.5 46.7 292 292 A R T <4 S+ 0 0 61 -3,-1.7 2,-0.4 -4,-0.4 -1,-0.2 0.557 102.9 59.7-103.8 -7.4 8.8 3.4 43.7 293 293 A F << - 0 0 6 -4,-0.8 -1,-0.1 -3,-0.7 -35,-0.1 -0.988 52.9-171.7-130.2 128.9 11.3 1.1 42.0 294 294 A H + 0 0 161 -2,-0.4 2,-0.2 -33,-0.1 -1,-0.1 0.167 64.9 70.9-108.2 15.2 12.8 -2.1 43.5 295 295 A G S S- 0 0 23 1,-0.2 -28,-0.2 -284,-0.0 2,-0.2 -0.391 100.8 -53.5-109.2-165.7 15.4 -3.0 40.9 296 296 A V E -j 267 0B 10 -30,-2.1 -28,-2.5 -2,-0.2 2,-0.5 -0.494 48.4-151.5 -71.7 138.8 18.7 -1.3 40.0 297 297 A I E -j 268 0B 5 -30,-0.2 21,-2.7 -2,-0.2 22,-1.5 -0.974 7.4-163.1-112.9 127.8 18.6 2.4 39.2 298 298 A I E -jk 269 319B 0 -30,-2.7 -28,-3.0 -2,-0.5 2,-0.3 -0.955 5.4-153.3-110.8 127.4 21.2 3.8 36.8 299 299 A G E +jk 270 320B 0 20,-2.4 22,-2.4 -2,-0.5 2,-0.3 -0.798 20.1 171.0 -95.8 141.4 21.8 7.6 36.7 300 300 A A E +jk 271 321B 2 -30,-1.5 -28,-2.7 -2,-0.3 -27,-0.3 -0.994 25.0 91.0-149.4 152.5 23.1 9.3 33.5 301 301 A G S S- 0 0 19 20,-0.6 -1,-0.1 -2,-0.3 -27,-0.1 0.533 101.2 -24.9 125.7 90.7 23.8 12.7 32.0 302 302 A A S S+ 0 0 77 1,-0.2 2,-0.2 -29,-0.1 20,-0.1 0.833 85.9 174.0 54.5 38.8 27.0 14.6 32.3 303 303 A Y - 0 0 12 18,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.560 22.1-151.5 -76.9 142.2 27.9 12.8 35.5 304 304 A T > - 0 0 70 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.677 30.9-112.0 -93.4 160.5 31.2 13.2 37.3 305 305 A A H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.899 120.0 54.8 -55.3 -38.2 32.7 10.5 39.4 306 306 A E H > S+ 0 0 140 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.903 107.4 47.8 -65.2 -42.1 32.1 12.7 42.4 307 307 A K H > S+ 0 0 63 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.916 111.3 51.7 -66.0 -44.2 28.4 13.1 41.6 308 308 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.931 112.0 45.4 -61.6 -44.2 28.1 9.4 41.1 309 309 A E H X S+ 0 0 29 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.911 111.3 54.1 -64.8 -40.3 29.7 8.7 44.5 310 310 A D H X S+ 0 0 74 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.963 115.3 38.3 -54.6 -52.0 27.6 11.4 46.2 311 311 A L H <>S+ 0 0 7 -4,-2.7 5,-1.9 2,-0.2 6,-0.9 0.865 116.0 49.5 -77.2 -35.6 24.3 9.8 44.9 312 312 A I H ><5S+ 0 0 15 -4,-2.4 3,-1.3 -5,-0.3 -1,-0.2 0.939 112.3 49.9 -65.1 -40.4 25.3 6.2 45.3 313 313 A G H 3<5S+ 0 0 50 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.838 106.6 54.9 -65.4 -28.0 26.4 7.0 48.8 314 314 A K T 3<5S- 0 0 96 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.546 114.2-122.7 -78.2 -9.4 23.1 8.7 49.5 315 315 A G T < 5S+ 0 0 34 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.656 79.8 119.5 72.9 21.4 21.4 5.5 48.4 316 316 A L S > S+ 0 0 20 -2,-0.4 4,-1.9 -301,-0.2 3,-1.2 0.800 71.6 27.9-105.0 -79.5 28.9 8.1 27.7 324 324 A R H 3> S+ 0 0 104 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.875 118.2 57.4 -61.9 -34.3 31.6 10.4 26.2 325 325 A D H 3> S+ 0 0 46 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.850 107.8 50.3 -59.7 -30.8 34.2 9.5 28.9 326 326 A Y H <4 S+ 0 0 0 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.829 105.1 56.5 -77.1 -32.4 33.7 5.9 27.7 327 327 A I H < S+ 0 0 4 -4,-1.9 34,-0.2 1,-0.2 -2,-0.2 0.960 117.6 34.2 -54.4 -48.8 34.1 6.9 24.1 328 328 A A H < S+ 0 0 0 -4,-2.1 15,-0.3 1,-0.2 -1,-0.2 0.570 121.5 46.2 -87.7 -10.0 37.5 8.3 24.9 329 329 A N >< - 0 0 0 -4,-0.8 3,-1.7 -5,-0.2 -1,-0.2 -0.751 51.9-178.0-142.0 93.8 38.7 5.9 27.6 330 330 A P T 3 S+ 0 0 1 0, 0.0 -280,-0.3 0, 0.0 3,-0.3 0.884 93.1 44.7 -61.9 -36.7 38.3 2.2 27.1 331 331 A D T 3> S+ 0 0 18 31,-0.2 4,-2.2 1,-0.2 3,-0.2 -0.262 70.8 141.8 -97.3 43.5 39.7 1.5 30.5 332 332 A L H <> + 0 0 0 -3,-1.7 4,-2.9 1,-0.2 5,-0.3 0.850 68.9 58.9 -53.7 -36.8 37.6 4.2 32.2 333 333 A V H > S+ 0 0 12 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.967 108.4 43.8 -58.3 -52.3 37.2 1.9 35.3 334 334 A A H > S+ 0 0 22 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 113.8 51.1 -60.5 -40.5 40.9 1.7 35.8 335 335 A R H X>S+ 0 0 11 -4,-2.2 5,-2.5 1,-0.2 4,-1.0 0.908 112.6 45.0 -64.4 -42.9 41.4 5.4 35.3 336 336 A L H <5S+ 0 0 26 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.872 112.5 52.5 -68.1 -32.4 38.7 6.3 37.8 337 337 A Q H <5S+ 0 0 86 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.892 118.7 35.0 -71.5 -37.9 40.0 3.8 40.2 338 338 A K H <5S- 0 0 141 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.474 106.4-122.2 -91.9 -3.4 43.5 5.2 40.0 339 339 A K T <5 + 0 0 122 -4,-1.0 -3,-0.2 1,-0.2 2,-0.2 0.916 55.8 163.5 57.5 42.2 42.5 8.9 39.6 340 340 A A < - 0 0 34 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.0 -0.550 43.4 -95.8 -83.9 158.9 44.4 8.9 36.3 341 341 A E - 0 0 172 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.280 40.3-122.2 -66.6 162.5 43.9 11.6 33.7 342 342 A L - 0 0 59 1,-0.0 -13,-0.1 -6,-0.0 -1,-0.1 -0.744 22.4-103.5-103.3 151.6 41.6 10.9 30.8 343 343 A N - 0 0 31 -2,-0.3 2,-0.1 -15,-0.3 -15,-0.1 -0.519 48.4-102.1 -63.0 142.9 42.2 10.9 27.1 344 344 A P - 0 0 105 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.429 38.6-113.0 -66.9 142.3 40.9 14.1 25.4 345 345 A Q - 0 0 74 -2,-0.1 -20,-0.1 1,-0.1 -21,-0.0 -0.524 18.6-158.5 -76.4 144.9 37.6 13.6 23.5 346 346 A R > + 0 0 69 -2,-0.2 3,-2.1 1,-0.1 4,-0.1 -0.717 12.3 178.9-120.5 78.7 37.5 14.0 19.7 347 347 A P G > S+ 0 0 74 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.759 70.6 73.7 -57.4 -26.4 33.8 14.7 19.0 348 348 A E G 3 S+ 0 0 164 1,-0.3 3,-0.2 2,-0.1 -2,-0.0 0.748 101.7 44.7 -64.3 -16.8 34.3 15.1 15.2 349 349 A S G < S+ 0 0 18 -3,-2.1 -1,-0.3 1,-0.2 3,-0.1 0.161 81.2 100.0-111.0 20.2 34.6 11.3 15.1 350 350 A F S < S+ 0 0 18 -3,-2.0 2,-0.5 1,-0.2 -1,-0.2 0.916 84.9 44.9 -64.9 -39.9 31.8 10.3 17.3 351 351 A Y S S- 0 0 119 -4,-0.4 -211,-0.2 -3,-0.2 -323,-0.2 -0.935 113.2 -21.7-114.8 129.6 29.5 9.6 14.3 352 352 A G S S+ 0 0 3 -325,-2.5 2,-0.2 -2,-0.5 -323,-0.2 -0.069 85.1 87.1 75.2-177.3 30.4 7.6 11.2 353 353 A G S S- 0 0 58 -215,-0.4 -1,-0.1 -325,-0.2 2,-0.1 -0.581 71.6 -86.1 89.8-152.8 33.9 7.0 9.8 354 354 A G S S- 0 0 34 2,-0.3 5,-0.1 -2,-0.2 -2,-0.0 -0.166 71.6 -31.4-134.9-134.2 36.2 4.1 10.8 355 355 A A S >>>S+ 0 0 46 3,-0.2 3,-2.6 2,-0.1 4,-1.9 0.811 101.6 96.5 -68.0 -30.5 38.8 3.2 13.4 356 356 A E T 345S+ 0 0 145 1,-0.3 -2,-0.3 2,-0.2 5,-0.0 -0.459 101.7 7.5 -65.6 126.3 40.0 6.7 13.9 357 357 A G T 345S+ 0 0 0 -2,-0.2 -1,-0.3 1,-0.1 -11,-0.1 0.602 129.6 66.3 77.9 10.2 38.3 8.2 16.9 358 358 A Y T <45S+ 0 0 0 -3,-2.6 3,-0.3 -30,-0.0 -2,-0.2 0.645 117.6 6.9-126.9 -62.7 36.8 4.8 17.6 359 359 A T T <5S+ 0 0 23 -4,-1.9 -3,-0.1 1,-0.1 -4,-0.1 0.305 111.8 94.7-110.6 8.3 39.3 2.1 18.6 360 360 A D < + 0 0 66 -5,-0.9 -1,-0.1 2,-0.1 -4,-0.1 0.326 52.8 94.5 -51.1 -32.9 41.9 4.9 18.7 361 361 A Y S S- 0 0 5 -3,-0.3 -16,-0.0 -34,-0.2 -32,-0.0 -0.760 72.7-130.6 -93.8 118.4 41.9 5.8 22.3 362 362 A P - 0 0 79 0, 0.0 -31,-0.2 0, 0.0 2,-0.2 -0.276 6.8-130.3 -74.0 156.6 44.6 4.1 24.2 363 363 A S 0 0 70 -33,-0.1 -31,-0.0 -34,-0.1 -34,-0.0 -0.573 360.0 360.0 -85.7 163.7 44.4 2.2 27.5 364 364 A L 0 0 117 -2,-0.2 -1,-0.1 -33,-0.1 0, 0.0 0.776 360.0 360.0 -57.4 360.0 46.8 2.9 30.3