==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-MAY-09 3HD5 . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBA; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PARAPERTUSSIS; . AUTHOR K.PALANI,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 542 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 6.6 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 28 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 0 0 0 2 3 4 0 3 1 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 3 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 . 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 28 A Q 0 0 153 0, 0.0 3,-0.1 0, 0.0 405,-0.1 0.000 360.0 360.0 360.0 77.9 21.2 71.4 211.5 2 29 A G + 0 0 28 1,-0.4 2,-0.2 403,-0.1 400,-0.1 0.069 360.0 130.5 103.1 -19.7 23.2 74.3 212.9 3 30 A A - 0 0 14 1,-0.1 -1,-0.4 398,-0.1 158,-0.1 -0.495 58.8-143.6 -70.3 129.6 23.1 72.6 216.3 4 31 A Q - 0 0 73 394,-0.5 2,-1.8 -2,-0.2 158,-0.2 0.808 20.8-161.1 -61.6 -32.1 26.5 72.3 217.9 5 32 A Q - 0 0 66 156,-3.1 153,-0.4 155,-0.1 2,-0.3 -0.369 59.4 -20.6 80.7 -56.2 25.5 68.8 219.3 6 33 A Y - 0 0 70 -2,-1.8 2,-0.3 151,-0.2 151,-0.2 -0.956 60.3-127.2-165.4 179.3 28.2 68.9 222.0 7 34 A V E -A 156 0A 40 149,-2.0 149,-2.3 -2,-0.3 2,-0.2 -0.956 29.8-100.6-139.8 157.1 31.5 70.4 223.1 8 35 A N E -A 155 0A 109 -2,-0.3 2,-0.5 147,-0.2 147,-0.2 -0.505 28.1-138.1 -78.9 146.3 34.9 69.1 224.1 9 36 A I - 0 0 5 145,-3.1 132,-0.1 -2,-0.2 4,-0.1 -0.929 25.3-133.0-107.0 123.5 35.8 68.9 227.8 10 37 A N S S+ 0 0 118 -2,-0.5 144,-0.0 130,-0.2 3,-0.0 -0.987 86.7 20.1-138.5 130.8 39.3 70.0 228.7 11 38 A P S S- 0 0 103 0, 0.0 -1,-0.1 0, 0.0 142,-0.0 0.598 105.4-115.3 -71.8 163.8 41.2 68.7 230.3 12 39 A P - 0 0 77 0, 0.0 142,-0.2 0, 0.0 141,-0.1 -0.316 25.2-122.7 -64.9 148.1 39.3 65.4 230.0 13 40 A X - 0 0 28 140,-2.6 2,-0.2 -4,-0.1 3,-0.1 -0.813 20.4-130.9 -96.8 129.1 37.8 64.0 233.2 14 41 A P - 0 0 107 0, 0.0 139,-0.1 0, 0.0 2,-0.0 -0.555 31.5-101.1 -78.4 141.2 38.8 60.5 234.3 15 42 A S - 0 0 53 -2,-0.2 4,-0.1 1,-0.1 6,-0.1 -0.338 19.3-153.6 -63.1 138.5 36.1 58.0 235.2 16 43 A D S S+ 0 0 82 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 0.229 83.0 71.3 -95.7 11.5 35.4 57.5 238.9 17 44 A T S > S- 0 0 37 3,-0.4 3,-2.6 36,-0.1 -1,-0.1 -0.892 91.5-125.6-129.9 98.5 34.1 54.0 238.2 18 45 A P T 3 S+ 0 0 124 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.135 92.4 8.6 -46.7 128.9 36.9 51.6 237.3 19 46 A G T 3 S+ 0 0 79 1,-0.2 2,-0.4 -4,-0.1 0, 0.0 0.384 110.0 106.6 79.7 -3.3 36.3 49.9 234.0 20 47 A K < - 0 0 84 -3,-2.6 2,-0.6 32,-0.0 -3,-0.4 -0.895 67.2-135.3-116.2 139.6 33.2 52.0 233.3 21 48 A I E -b 52 0A 29 30,-3.4 32,-2.4 -2,-0.4 2,-0.3 -0.786 36.7-137.7 -83.9 123.8 32.6 54.8 230.8 22 49 A E E -b 53 0A 12 -2,-0.6 130,-2.2 30,-0.2 2,-0.5 -0.680 20.5-168.0 -92.1 138.6 30.8 57.4 232.9 23 50 A V E -bC 54 151A 1 30,-2.5 32,-2.7 -2,-0.3 2,-0.5 -0.984 14.9-162.9-119.4 113.9 27.8 59.4 231.8 24 51 A L E -bC 55 150A 8 126,-2.6 126,-2.3 -2,-0.5 2,-0.7 -0.889 6.4-159.4-104.6 127.1 27.1 62.2 234.3 25 52 A E E -bC 56 149A 0 30,-3.2 32,-3.1 -2,-0.5 2,-0.5 -0.906 8.0-155.4-103.9 110.4 23.8 64.0 234.3 26 53 A F E +bC 57 148A 0 122,-3.3 122,-1.6 -2,-0.7 2,-0.3 -0.745 31.2 155.4 -84.0 128.2 24.0 67.4 235.9 27 54 A F E -b 58 0A 0 30,-2.1 32,-2.7 -2,-0.5 2,-0.3 -0.877 34.2-146.6-144.3 177.8 20.6 68.3 237.3 28 55 A A > - 0 0 3 -2,-0.3 3,-1.4 30,-0.2 7,-0.2 -0.977 20.3-135.6-151.3 136.0 18.7 70.4 239.8 29 56 A Y T 3 S+ 0 0 1 -2,-0.3 63,-0.1 1,-0.3 6,-0.1 0.827 107.6 57.2 -62.0 -32.3 15.4 69.6 241.6 30 57 A T T 3 S+ 0 0 47 35,-0.1 -1,-0.3 -3,-0.1 69,-0.0 0.562 85.7 103.0 -76.6 -7.4 14.2 73.2 240.9 31 58 A C <> - 0 0 10 -3,-1.4 4,-2.3 1,-0.1 5,-0.2 -0.691 58.2-158.3 -86.1 122.0 14.7 72.7 237.2 32 59 A P H > S+ 0 0 77 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.853 95.9 50.6 -61.0 -39.7 11.6 72.2 235.1 33 60 A H H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.881 109.1 50.4 -70.8 -35.7 13.5 70.6 232.3 34 61 A C H > S+ 0 0 0 2,-0.2 4,-1.8 -6,-0.2 -1,-0.2 0.934 111.1 49.3 -66.5 -43.2 15.3 68.2 234.6 35 62 A A H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.931 112.2 48.8 -60.6 -45.2 12.0 67.2 236.1 36 63 A A H < S+ 0 0 20 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.856 115.2 42.3 -64.1 -37.5 10.6 66.6 232.7 37 64 A I H >X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-1.0 0.691 89.8 91.1 -85.4 -17.9 13.5 64.5 231.4 38 65 A E H 3X S+ 0 0 4 -4,-1.8 4,-3.0 1,-0.3 5,-0.2 0.865 86.6 46.8 -45.1 -54.2 14.0 62.4 234.6 39 66 A P H 3> S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.806 114.0 49.7 -63.2 -26.5 11.7 59.5 233.6 40 67 A X H <> S+ 0 0 10 -3,-1.0 4,-2.8 -4,-0.3 -2,-0.2 0.885 111.2 47.8 -78.2 -38.2 13.3 59.4 230.2 41 68 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.963 112.7 49.6 -63.9 -49.4 16.8 59.4 231.6 42 69 A E H X S+ 0 0 73 -4,-3.0 4,-1.0 -5,-0.2 -2,-0.2 0.905 113.7 45.1 -55.8 -43.2 15.8 56.6 234.0 43 70 A D H >X S+ 0 0 27 -4,-1.8 4,-0.7 -5,-0.2 3,-0.6 0.912 111.4 54.0 -66.8 -41.6 14.2 54.6 231.2 44 71 A W H >< S+ 0 0 23 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.898 103.7 56.0 -57.7 -44.0 17.3 55.3 229.1 45 72 A A H >< S+ 0 0 38 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.772 94.6 67.1 -62.2 -28.4 19.6 53.9 231.8 46 73 A K H << S+ 0 0 129 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.802 112.0 32.4 -64.5 -27.8 17.8 50.6 231.9 47 74 A T T << S+ 0 0 117 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.205 91.3 131.3-113.2 14.9 19.0 49.8 228.4 48 75 A A < - 0 0 15 -3,-1.0 -3,-0.1 -4,-0.2 4,-0.1 -0.210 70.0 -78.1 -66.0 158.2 22.4 51.6 228.6 49 76 A P > - 0 0 39 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.256 37.2-122.8 -58.1 141.0 25.6 49.8 227.5 50 77 A Q T 3 S+ 0 0 163 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.768 112.7 51.9 -57.1 -29.1 27.1 47.3 230.0 51 78 A D T 3 S+ 0 0 53 -31,-0.1 -30,-3.4 2,-0.0 2,-0.4 0.263 100.9 84.4 -92.3 12.2 30.4 49.2 230.1 52 79 A V E < -b 21 0A 14 -3,-2.3 2,-0.4 -32,-0.2 -30,-0.2 -0.910 56.9-169.2-117.9 141.5 28.5 52.4 230.8 53 80 A V E -b 22 0A 46 -32,-2.4 -30,-2.5 -2,-0.4 2,-0.4 -0.987 12.6-143.1-130.4 140.6 27.3 53.8 234.1 54 81 A L E -b 23 0A 44 -2,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.863 16.7-175.9-104.3 135.6 25.0 56.7 234.7 55 82 A K E -b 24 0A 70 -32,-2.7 -30,-3.2 -2,-0.4 2,-0.5 -0.993 16.5-144.4-130.9 135.7 25.5 59.1 237.6 56 83 A Q E -b 25 0A 26 -2,-0.4 -30,-0.2 -32,-0.2 -32,-0.1 -0.878 17.1-169.1-101.4 129.0 23.2 61.9 238.5 57 84 A V E -b 26 0A 3 -32,-3.1 -30,-2.1 -2,-0.5 2,-0.3 -0.950 15.0-140.5-122.8 115.0 24.9 65.0 239.9 58 85 A P E -b 27 0A 2 0, 0.0 -30,-0.2 0, 0.0 2,-0.2 -0.550 23.3-160.7 -74.6 127.5 23.1 67.9 241.6 59 86 A I - 0 0 4 -32,-2.7 2,-0.3 -2,-0.3 76,-0.1 -0.615 10.0-154.4-104.5 167.3 24.5 71.3 240.7 60 87 A A - 0 0 30 -2,-0.2 3,-0.1 1,-0.1 -32,-0.0 -0.928 11.6-176.4-143.9 113.6 24.2 74.7 242.4 61 88 A F S S+ 0 0 107 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.546 82.3 13.1 -86.1 -8.3 24.6 77.9 240.4 62 89 A N S > S- 0 0 96 1,-0.1 3,-1.6 0, 0.0 4,-0.5 -0.942 90.7 -97.0-156.2 164.8 24.2 80.0 243.6 63 90 A A G > S+ 0 0 85 -2,-0.3 3,-2.4 1,-0.3 -1,-0.1 0.887 114.7 68.2 -57.6 -42.4 24.3 79.1 247.3 64 91 A G G 3 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.617 97.6 54.5 -54.6 -13.2 20.5 78.9 247.6 65 92 A X G X> S+ 0 0 25 -3,-1.6 3,-1.3 1,-0.1 4,-1.1 0.647 83.4 86.7 -94.9 -16.0 20.6 75.8 245.5 66 93 A K H X> S+ 0 0 93 -3,-2.4 4,-2.6 -4,-0.5 3,-0.7 0.867 81.2 60.2 -51.5 -42.4 23.1 74.0 247.8 67 94 A P H 3> S+ 0 0 30 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.866 102.5 53.8 -56.5 -33.4 20.3 72.7 250.0 68 95 A L H <> S+ 0 0 6 -3,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.820 106.5 51.3 -70.4 -30.5 18.9 70.9 246.9 69 96 A Q H S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 -1,-0.2 0.901 113.4 47.4 -59.9 -40.2 17.9 60.5 250.2 76 103 A Q H ><5S+ 0 0 66 -4,-1.5 3,-1.1 -5,-0.2 -1,-0.2 0.890 111.2 51.0 -67.1 -40.5 20.6 58.1 248.8 77 104 A A H 3<5S+ 0 0 48 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.908 109.4 50.3 -63.8 -39.4 22.3 57.9 252.1 78 105 A L T 3<5S- 0 0 21 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.481 115.9-121.4 -76.2 -1.9 19.0 57.1 253.8 79 106 A E T < 5S+ 0 0 163 -3,-1.1 -3,-0.2 -5,-0.2 -2,-0.1 0.944 75.5 125.5 59.3 50.9 18.6 54.5 251.1 80 107 A R >>< + 0 0 61 -5,-2.6 3,-2.5 -6,-0.1 4,-0.6 -0.400 14.3 151.6-130.6 53.1 15.3 55.9 249.8 81 108 A P T >4 + 0 0 70 0, 0.0 3,-1.0 0, 0.0 -5,-0.1 0.793 67.3 74.8 -56.5 -22.3 16.2 56.3 246.1 82 109 A D T 3> S+ 0 0 73 1,-0.3 4,-0.5 2,-0.2 -2,-0.0 0.772 92.6 51.9 -60.1 -26.6 12.5 55.8 245.5 83 110 A L H <> S+ 0 0 0 -3,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.683 88.2 83.9 -84.9 -18.3 11.9 59.3 246.8 84 111 A H H XX S+ 0 0 6 -3,-1.0 3,-0.8 -4,-0.6 4,-0.7 0.940 96.2 38.1 -50.7 -57.3 14.4 60.8 244.4 85 112 A P H >> S+ 0 0 26 0, 0.0 4,-1.3 0, 0.0 3,-0.6 0.849 110.1 63.0 -67.1 -27.9 12.1 61.1 241.4 86 113 A K H 3X S+ 0 0 76 -4,-0.5 4,-2.9 1,-0.2 -2,-0.2 0.791 90.3 67.7 -65.4 -26.4 9.2 62.1 243.7 87 114 A V H S+ 0 0 10 -4,-1.3 4,-2.4 1,-0.2 5,-1.7 0.918 109.3 51.7 -61.3 -43.9 6.9 65.7 241.4 90 117 A A H <5S+ 0 0 0 -4,-2.9 6,-3.0 3,-0.2 4,-0.2 0.918 116.9 37.9 -60.3 -46.2 6.5 67.5 244.7 91 118 A I H <5S+ 0 0 12 -4,-2.1 -2,-0.2 4,-0.2 -1,-0.2 0.939 127.3 32.0 -71.1 -50.1 8.2 70.7 243.6 92 119 A H H <5S+ 0 0 40 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.745 132.5 24.3 -85.2 -25.4 6.8 70.9 240.0 93 120 A T T <5S+ 0 0 48 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.790 131.1 35.7-108.0 -37.8 3.4 69.3 240.2 94 121 A E S S- 0 0 75 -3,-0.3 4,-2.5 -33,-0.1 5,-0.2 -0.975 87.0-107.2-145.2 157.3 15.2 74.5 252.7 101 128 A K H > S+ 0 0 60 -2,-0.3 4,-3.7 1,-0.2 5,-0.3 0.880 116.0 54.1 -50.5 -48.4 16.0 71.7 255.2 102 129 A K H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 112.3 42.8 -54.5 -52.9 12.9 72.4 257.3 103 130 A A H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 116.6 50.0 -61.6 -38.2 10.5 72.1 254.4 104 131 A X H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 -2,-0.2 0.940 108.7 50.0 -66.6 -49.1 12.5 69.1 253.1 105 132 A G H X S+ 0 0 0 -4,-3.7 4,-3.2 2,-0.2 5,-0.2 0.918 109.5 52.0 -56.5 -45.4 12.5 67.2 256.4 106 133 A E H X S+ 0 0 106 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.952 112.9 45.0 -56.2 -49.7 8.8 67.7 256.8 107 134 A W H X S+ 0 0 8 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.933 111.8 53.1 -60.0 -46.2 8.2 66.3 253.3 108 135 A A H ><>S+ 0 0 0 -4,-3.4 5,-1.8 1,-0.2 3,-1.4 0.934 107.7 50.2 -54.6 -49.8 10.7 63.5 254.1 109 136 A A H ><5S+ 0 0 42 -4,-3.2 3,-1.8 1,-0.3 -1,-0.2 0.862 104.0 59.6 -58.2 -36.4 8.8 62.5 257.2 110 137 A S H 3<5S+ 0 0 76 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.738 102.8 54.1 -65.3 -21.1 5.5 62.5 255.2 111 138 A Q T <<5S- 0 0 58 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.178 132.1 -90.0 -98.2 16.8 7.1 59.8 253.0 112 139 A G T < 5S+ 0 0 67 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.677 83.1 138.0 86.1 18.3 7.9 57.6 256.0 113 140 A V < - 0 0 12 -5,-1.8 2,-0.5 -6,-0.2 -1,-0.3 -0.837 60.5-114.0 -99.2 132.7 11.4 58.9 256.7 114 141 A D > - 0 0 100 -2,-0.5 4,-2.9 1,-0.2 3,-0.2 -0.517 20.6-146.0 -67.8 117.6 12.3 59.5 260.4 115 142 A R H > S+ 0 0 72 -2,-0.5 4,-3.1 1,-0.2 5,-0.3 0.865 98.5 50.2 -50.0 -47.1 12.7 63.2 260.8 116 143 A A H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 112.9 47.9 -60.1 -42.8 15.5 62.9 263.4 117 144 A K H > S+ 0 0 115 -3,-0.2 4,-2.8 2,-0.2 5,-0.3 0.934 113.9 46.6 -62.9 -48.7 17.3 60.5 261.0 118 145 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.946 110.7 50.7 -60.1 -51.8 16.8 62.9 258.0 119 146 A D H X S+ 0 0 41 -4,-3.1 4,-0.7 -5,-0.2 -1,-0.2 0.867 114.4 47.0 -55.4 -36.6 17.9 66.0 259.9 120 147 A S H >< S+ 0 0 81 -4,-1.8 3,-1.1 -5,-0.3 -2,-0.2 0.971 114.1 42.4 -70.8 -56.3 21.0 64.1 261.0 121 148 A V H >< S+ 0 0 20 -4,-2.8 3,-2.8 1,-0.3 6,-0.4 0.896 104.2 67.1 -58.6 -41.6 22.1 62.6 257.7 122 149 A F H 3< S+ 0 0 7 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.810 109.2 38.0 -49.1 -34.0 21.4 65.8 255.8 123 150 A D T << S+ 0 0 91 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.289 89.2 129.8-102.1 8.3 24.3 67.4 257.8 124 151 A S <> - 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0 0 4 -2,-0.3 3,-1.8 30,-0.2 6,-0.2 -0.980 20.6-137.9-146.4 128.5 -6.1 66.1 238.5 209 56 B Y T 3 S+ 0 0 0 -2,-0.3 63,-0.2 1,-0.3 62,-0.1 0.827 107.2 57.2 -57.3 -31.3 -9.0 68.6 238.6 210 57 B T T 3 S+ 0 0 49 35,-0.1 -1,-0.3 61,-0.1 3,-0.1 0.649 83.4 102.2 -75.8 -13.0 -6.7 71.0 240.5 211 58 B C <> - 0 0 13 -3,-1.8 4,-2.4 1,-0.2 3,-0.4 -0.604 58.8-159.5 -78.3 111.3 -4.2 70.8 237.6 212 59 B P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.819 94.6 53.2 -57.4 -31.7 -4.4 74.0 235.4 213 60 B H H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.863 107.8 49.4 -72.8 -35.9 -2.7 72.2 232.6 214 61 B C H > S+ 0 0 0 -3,-0.4 4,-1.7 -6,-0.2 -1,-0.2 0.885 111.9 50.1 -68.0 -35.1 -5.2 69.4 232.8 215 62 B A H < S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.927 109.2 52.2 -65.9 -42.7 -7.9 72.1 232.8 216 63 B A H < S+ 0 0 20 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.870 116.2 37.7 -60.9 -41.3 -6.2 73.7 229.7 217 64 B I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 0.658 91.1 89.9 -88.6 -17.4 -6.2 70.4 227.7 218 65 B E H X S+ 0 0 3 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.893 87.0 50.7 -47.4 -51.0 -9.6 69.0 228.7 219 66 B P H > S+ 0 0 75 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.911 114.0 46.4 -54.5 -42.1 -11.5 70.7 225.9 220 67 B X H > S+ 0 0 48 -3,-0.4 4,-2.7 -4,-0.3 -2,-0.2 0.876 109.8 53.1 -68.2 -40.0 -9.0 69.3 223.4 221 68 B V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.928 109.8 47.8 -63.1 -44.0 -9.1 65.9 224.9 222 69 B E H X S+ 0 0 63 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.928 112.7 48.5 -63.2 -43.3 -12.8 65.6 224.6 223 70 B D H X S+ 0 0 98 -4,-2.1 4,-0.9 -5,-0.2 3,-0.3 0.916 111.5 51.5 -59.6 -44.2 -12.7 66.9 221.0 224 71 B W H >X S+ 0 0 21 -4,-2.7 3,-0.7 1,-0.2 4,-0.6 0.884 105.4 55.3 -59.3 -42.7 -10.0 64.3 220.3 225 72 B A H >< S+ 0 0 43 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.833 100.2 60.2 -61.8 -34.5 -12.1 61.5 221.8 226 73 B K H 3< S+ 0 0 168 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.818 115.8 32.4 -65.5 -29.7 -15.0 62.3 219.5 227 74 B T H << S+ 0 0 116 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.337 88.6 130.4-110.3 7.3 -12.8 61.6 216.4 228 75 B A S << S- 0 0 26 -4,-0.6 4,-0.1 -3,-0.5 -3,-0.1 -0.118 71.6 -79.9 -60.7 158.1 -10.5 58.9 217.7 229 76 B P > - 0 0 44 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.308 40.1-120.6 -57.8 139.1 -10.0 55.7 215.8 230 77 B Q T 3 S+ 0 0 194 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.680 113.4 54.1 -59.0 -17.9 -12.8 53.2 216.3 231 78 B D T 3 S+ 0 0 51 -31,-0.1 -30,-2.6 2,-0.0 2,-0.4 0.126 97.8 87.4-101.7 20.5 -10.4 50.6 217.7 232 79 B V E < -f 201 0B 16 -3,-2.3 2,-0.4 -32,-0.2 -30,-0.2 -0.912 57.5-166.9-119.0 145.4 -9.2 53.1 220.2 233 80 B V E -f 202 0B 52 -32,-2.0 -30,-2.5 -2,-0.4 2,-0.4 -0.995 8.3-148.4-137.1 133.2 -10.7 53.8 223.7 234 81 B L E -f 203 0B 42 -2,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.821 12.8-178.0-102.5 138.0 -10.0 56.7 226.0 235 82 B K E -f 204 0B 51 -32,-2.4 -30,-2.3 -2,-0.4 2,-0.5 -0.997 15.2-148.9-134.3 127.3 -10.1 56.5 229.8 236 83 B Q E -f 205 0B 23 -2,-0.4 -30,-0.2 -32,-0.2 -32,-0.1 -0.844 14.6-164.3 -98.5 128.9 -9.6 59.4 232.0 237 84 B V E -f 206 0B 0 -32,-3.4 -30,-2.4 -2,-0.5 2,-0.2 -0.944 13.5-139.2-122.1 117.9 -8.0 58.6 235.4 238 85 B P E -f 207 0B 2 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.490 26.4-157.7 -71.0 134.9 -8.0 61.0 238.4 239 86 B I - 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0 0 2 -2,-0.3 3,-1.4 30,-0.2 7,-0.2 -0.945 21.9-133.2-156.0 130.9 22.2 88.7 225.2 391 56 C Y T 3 S+ 0 0 1 -2,-0.3 63,-0.1 1,-0.3 6,-0.1 0.818 108.7 55.8 -56.6 -31.0 25.8 87.8 224.7 392 57 C T T 3 S+ 0 0 49 35,-0.1 -1,-0.3 -3,-0.1 3,-0.0 0.674 84.0 99.9 -76.2 -17.7 26.0 86.6 228.4 393 58 C C <> - 0 0 17 -3,-1.4 4,-2.3 1,-0.2 -3,-0.2 -0.585 59.7-158.1 -75.8 114.1 23.1 84.2 228.0 394 59 C P H > S+ 0 0 45 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.782 93.8 55.2 -61.7 -26.0 24.4 80.6 227.5 395 60 C H H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.922 107.7 47.7 -73.5 -43.1 21.1 79.6 225.9 396 61 C C H > S+ 0 0 0 2,-0.2 4,-1.4 -6,-0.2 -1,-0.2 0.918 113.2 49.9 -63.0 -39.9 21.4 82.3 223.3 397 62 C A H >< S+ 0 0 13 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.979 110.4 48.7 -61.3 -54.8 25.0 81.2 222.7 398 63 C A H 3< S+ 0 0 10 -4,-2.7 -394,-0.5 1,-0.2 4,-0.2 0.837 117.5 42.3 -53.7 -36.0 24.1 77.6 222.3 399 64 C I H >X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 3,-0.7 0.602 87.0 92.7 -90.5 -11.6 21.3 78.5 219.8 400 65 C E H S+ 0 0 40 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.804 112.4 51.4 -66.6 -25.3 24.4 78.7 215.1 402 67 C X H <> S+ 0 0 0 -3,-0.7 4,-3.0 -4,-0.2 -2,-0.2 0.920 111.2 47.6 -73.1 -43.9 20.9 77.2 214.8 403 68 C V H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -3,-0.2 0.914 112.2 49.1 -62.7 -43.6 19.4 80.6 214.4 404 69 C E H X S+ 0 0 65 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.916 113.9 46.2 -63.2 -41.8 21.9 81.6 211.7 405 70 C D H >X S+ 0 0 33 -4,-1.8 4,-0.8 1,-0.2 3,-0.7 0.917 110.0 54.3 -65.3 -43.5 21.3 78.4 209.9 406 71 C W H >X S+ 0 0 19 -4,-3.0 3,-1.0 1,-0.2 4,-0.6 0.891 103.4 56.9 -57.5 -40.5 17.6 78.9 210.2 407 72 C A H >< S+ 0 0 41 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.805 97.8 61.6 -62.9 -30.3 17.9 82.3 208.6 408 73 C K H << S+ 0 0 172 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.767 114.4 33.3 -68.6 -24.6 19.5 80.8 205.5 409 74 C T H << S+ 0 0 109 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.316 89.0 128.7-113.6 6.8 16.4 78.8 204.7 410 75 C A S << S- 0 0 23 -4,-0.6 4,-0.1 -3,-0.5 -3,-0.1 -0.158 73.4 -80.0 -61.1 156.4 13.7 81.1 206.0 411 76 C P > - 0 0 52 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.288 41.0-117.7 -57.8 141.9 10.8 82.0 203.7 412 77 C Q T 3 S+ 0 0 190 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.639 113.5 56.1 -58.6 -16.0 11.7 84.7 201.2 413 78 C D T 3 S+ 0 0 49 -31,-0.1 -30,-4.2 2,-0.0 2,-0.4 0.038 96.0 86.3-103.9 25.1 9.1 87.1 202.6 414 79 C V E < -j 383 0C 16 -3,-1.8 2,-0.4 -32,-0.3 -30,-0.2 -0.973 56.3-165.9-127.6 138.7 10.7 86.9 206.1 415 80 C V E -j 384 0C 55 -32,-2.2 -30,-2.7 -2,-0.4 2,-0.5 -0.978 12.9-140.8-126.1 139.2 13.5 88.9 207.6 416 81 C L E -j 385 0C 46 -2,-0.4 2,-0.5 -32,-0.2 -30,-0.2 -0.864 16.9-177.3-101.2 129.2 15.5 88.1 210.8 417 82 C K E -j 386 0C 76 -32,-2.9 -30,-2.5 -2,-0.5 2,-0.6 -0.991 13.1-153.1-126.6 121.1 16.5 90.9 213.2 418 83 C Q E -j 387 0C 26 -2,-0.5 -30,-0.2 -32,-0.2 -32,-0.1 -0.859 12.2-164.4 -97.3 123.0 18.6 90.0 216.2 419 84 C V E -j 388 0C 0 -32,-2.5 -30,-2.2 -2,-0.6 2,-0.2 -0.935 10.9-142.5-115.6 119.5 18.1 92.5 219.1 420 85 C P E -j 389 0C 2 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.510 25.5-162.4 -74.4 138.8 20.5 92.7 222.1 421 86 C I - 0 0 3 -32,-2.2 2,-0.4 -2,-0.2 -30,-0.1 -0.809 17.5-150.6-125.5 167.4 18.9 93.3 225.4 422 87 C A + 0 0 31 -2,-0.3 3,-0.1 1,-0.1 6,-0.0 -0.915 14.0 175.7-140.0 109.4 19.7 94.5 228.9 423 88 C F S S+ 0 0 112 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.606 82.3 24.6 -84.6 -13.5 17.8 93.4 232.0 424 89 C N S >> S- 0 0 91 1,-0.1 3,-3.2 0, 0.0 4,-0.7 -0.991 89.9-103.9-149.0 151.4 20.2 95.3 234.1 425 90 C A G >4 S+ 0 0 92 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.800 116.4 64.8 -42.5 -37.9 22.6 98.3 233.7 426 91 C G G 34 S+ 0 0 48 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.643 98.3 54.9 -65.5 -13.9 25.5 95.9 233.5 427 92 C X G X> S+ 0 0 22 -3,-3.2 3,-1.9 1,-0.1 4,-1.0 0.697 82.0 85.7 -92.2 -21.3 24.2 94.4 230.3 428 93 C K H XX S+ 0 0 85 -3,-1.0 4,-2.3 -4,-0.7 3,-1.0 0.856 83.8 59.4 -47.8 -43.7 23.9 97.7 228.3 429 94 C P H 3> S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.808 99.7 57.6 -58.7 -27.8 27.6 97.4 227.2 430 95 C L H <> S+ 0 0 5 -3,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.801 106.5 49.3 -71.6 -28.3 26.7 94.1 225.6 431 96 C Q H S+ 0 0 0 -4,-2.3 5,-2.6 -5,-0.2 -1,-0.2 0.854 113.2 46.6 -65.7 -34.9 30.3 95.3 215.4 438 103 C Q H ><5S+ 0 0 65 -4,-1.5 3,-1.8 -5,-0.2 -2,-0.2 0.938 113.6 46.3 -72.9 -47.2 27.5 96.0 212.9 439 104 C A H 3<5S+ 0 0 51 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.879 108.2 58.4 -62.2 -36.8 28.4 99.6 212.3 440 105 C L T 3<5S- 0 0 24 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.424 114.8-120.6 -73.0 2.9 32.0 98.5 211.9 441 106 C E T < 5S+ 0 0 167 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.905 79.3 119.6 57.7 44.6 30.9 96.2 209.1 442 107 C R > < + 0 0 63 -5,-2.6 3,-2.0 -6,-0.1 4,-0.4 -0.413 16.9 150.6-134.5 58.0 32.2 93.1 210.9 443 108 C P T 3 + 0 0 74 0, 0.0 3,-0.4 0, 0.0 -5,-0.1 0.629 67.3 76.2 -64.9 -11.1 29.1 91.0 211.4 444 109 C D T 3 S+ 0 0 71 1,-0.2 4,-0.4 2,-0.2 -2,-0.0 0.720 90.1 54.9 -71.0 -22.6 31.5 88.0 211.2 445 110 C L S <> S+ 0 0 0 -3,-2.0 4,-1.7 1,-0.1 -1,-0.2 0.702 86.6 84.0 -83.8 -20.5 32.5 88.8 214.7 446 111 C H H >> S+ 0 0 6 -4,-0.4 4,-0.8 -3,-0.4 3,-0.8 0.935 95.6 38.8 -48.0 -60.3 29.0 88.6 216.1 447 112 C P H 3> S+ 0 0 39 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.825 109.9 66.2 -63.8 -24.6 28.9 84.9 216.5 448 113 C K H 3> S+ 0 0 88 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.853 90.1 62.2 -62.2 -38.3 32.5 85.1 217.7 449 114 C V H S+ 0 0 7 -4,-0.8 4,-3.5 -3,-0.3 5,-0.6 0.955 111.7 46.8 -60.5 -52.0 29.4 84.2 222.1 451 116 C T H X>S+ 0 0 56 -4,-1.4 5,-2.8 1,-0.2 4,-1.1 0.917 112.6 48.6 -56.9 -48.2 32.3 81.7 221.6 452 117 C A H <5S+ 0 0 0 -4,-2.8 6,-3.0 3,-0.2 -1,-0.2 0.884 119.6 39.9 -61.6 -39.2 34.8 84.0 223.3 453 118 C I H <5S+ 0 0 9 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.963 130.7 21.7 -74.6 -55.1 32.5 84.5 226.2 454 119 C H H <5S+ 0 0 26 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.898 133.9 31.2 -84.2 -45.3 31.0 81.1 226.7 455 120 C T T < S- 0 0 80 -3,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.945 86.8-105.8-134.9 157.1 33.3 96.1 229.7 463 128 C K H > S+ 0 0 57 -2,-0.3 4,-3.6 1,-0.2 5,-0.3 0.904 117.1 53.6 -44.0 -57.6 34.4 98.4 226.8 464 129 C K H > S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 113.2 43.0 -45.9 -53.3 38.1 98.1 227.6 465 130 C A H > S+ 0 0 22 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 115.7 48.5 -61.5 -45.7 38.0 94.3 227.5 466 131 C X H X S+ 0 0 1 -4,-2.7 4,-3.5 1,-0.2 -2,-0.2 0.940 110.3 51.2 -60.6 -49.0 35.8 94.2 224.4 467 132 C G H X S+ 0 0 0 -4,-3.6 4,-2.5 -5,-0.2 5,-0.2 0.868 107.8 52.9 -57.0 -39.9 38.0 96.7 222.6 468 133 C E H X S+ 0 0 101 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.957 113.8 42.7 -59.8 -50.3 41.1 94.6 223.4 469 134 C W H X S+ 0 0 17 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.907 111.3 56.4 -61.7 -43.3 39.3 91.5 221.9 470 135 C A H ><>S+ 0 0 0 -4,-3.5 5,-1.8 1,-0.2 3,-0.5 0.910 108.9 45.3 -55.1 -47.3 38.1 93.7 219.0 471 136 C A H ><5S+ 0 0 42 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.861 106.7 60.9 -65.0 -35.7 41.6 94.7 218.1 472 137 C S H 3<5S+ 0 0 88 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.807 103.0 52.1 -60.6 -29.3 42.6 91.1 218.5 473 138 C Q T <<5S- 0 0 57 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.435 133.1 -89.3 -88.2 -0.7 40.2 90.3 215.7 474 139 C G T < 5S+ 0 0 65 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.646 82.4 135.2 103.4 18.4 41.7 92.9 213.4 475 140 C V < - 0 0 18 -5,-1.8 2,-0.6 -6,-0.2 -1,-0.3 -0.763 60.3-111.6-100.6 145.0 39.7 96.0 214.2 476 141 C D > - 0 0 97 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 -0.646 19.7-147.7 -77.8 120.5 41.2 99.4 214.8 477 142 C R H > S+ 0 0 72 -2,-0.6 4,-3.3 1,-0.2 5,-0.2 0.866 97.2 55.1 -54.1 -41.9 40.9 100.3 218.4 478 143 C A H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.932 112.2 42.8 -59.0 -47.2 40.6 104.0 217.6 479 144 C K H > S+ 0 0 115 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.924 114.5 50.7 -65.0 -45.3 37.7 103.3 215.3 480 145 C F H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.960 109.7 50.9 -56.5 -53.3 36.1 100.9 217.7 481 146 C D H X S+ 0 0 53 -4,-3.3 4,-0.9 1,-0.2 -2,-0.2 0.926 114.8 41.6 -49.2 -56.0 36.4 103.4 220.6 482 147 C S H >X S+ 0 0 82 -4,-2.1 4,-1.3 1,-0.2 3,-0.9 0.932 117.1 46.7 -60.5 -49.8 34.7 106.2 218.6 483 148 C V H 3< S+ 0 0 23 -4,-2.9 6,-0.3 1,-0.3 -1,-0.2 0.867 107.3 58.4 -61.3 -37.7 32.0 104.0 217.1 484 149 C F H 3< S+ 0 0 8 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.748 115.1 36.9 -64.6 -23.6 31.3 102.4 220.4 485 150 C D H << S+ 0 0 95 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.560 89.3 129.1-103.9 -12.4 30.5 105.8 221.8 486 151 C S X - 0 0 30 -4,-1.3 4,-1.9 -3,-0.1 5,-0.1 0.024 66.8-125.7 -43.7 147.6 28.8 107.2 218.6 487 152 C F H > S+ 0 0 151 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.753 110.2 61.3 -69.8 -23.9 25.4 108.8 219.1 488 153 C S H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 105.5 45.4 -68.8 -41.8 24.0 106.4 216.4 489 154 C V H > S+ 0 0 0 -6,-0.3 4,-2.2 1,-0.2 5,-0.2 0.928 109.1 55.4 -66.1 -45.4 24.9 103.3 218.6 490 155 C Q H X S+ 0 0 87 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.815 110.0 48.5 -57.2 -30.9 23.5 104.9 221.7 491 156 C T H X S+ 0 0 53 -4,-1.2 4,-2.9 2,-0.2 5,-0.2 0.924 107.0 52.4 -75.6 -46.8 20.2 105.3 219.8 492 157 C Q H X S+ 0 0 70 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.874 108.1 53.9 -57.1 -38.7 20.1 101.8 218.4 493 158 C V H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.897 109.0 48.0 -62.6 -41.8 20.5 100.6 222.0 494 159 C Q H X S+ 0 0 110 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.960 113.1 47.2 -62.2 -52.2 17.6 102.7 223.1 495 160 C R H X S+ 0 0 88 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.906 111.3 54.6 -55.6 -42.8 15.5 101.4 220.2 496 161 C A H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 3,-0.3 0.968 113.3 37.1 -56.3 -62.0 16.6 97.9 221.1 497 162 C S H X S+ 0 0 40 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.871 114.5 60.7 -58.9 -35.2 15.5 97.9 224.8 498 163 C Q H X S+ 0 0 111 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.915 106.8 43.2 -57.8 -46.0 12.6 99.9 223.6 499 164 C L H X S+ 0 0 14 -4,-2.7 4,-1.4 -3,-0.3 -1,-0.2 0.887 109.8 57.4 -67.3 -39.5 11.5 97.0 221.3 500 165 C A H <>S+ 0 0 10 -4,-2.4 5,-2.0 1,-0.2 4,-0.4 0.848 108.9 46.9 -58.9 -35.7 12.2 94.6 224.1 501 166 C E H ><5S+ 0 0 143 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.887 108.0 53.4 -74.1 -40.6 9.7 96.5 226.3 502 167 C A H 3<5S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.738 111.4 49.1 -66.5 -20.3 7.1 96.7 223.6 503 168 C A T 3<5S- 0 0 0 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.525 104.6-129.2 -95.6 -8.4 7.3 92.9 223.4 504 169 C H T < 5 - 0 0 112 -3,-1.0 -3,-0.2 -4,-0.4 2,-0.1 0.946 31.0-152.4 58.1 49.5 7.1 92.2 227.1 505 170 C I < - 0 0 22 -5,-2.0 -1,-0.2 1,-0.2 3,-0.1 -0.340 18.8-168.9 -58.9 124.2 10.2 90.1 227.0 506 171 C D - 0 0 77 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.823 61.2 -55.6 -82.7 -35.1 10.2 87.4 229.7 507 172 C G S S- 0 0 17 2,-0.1 -1,-0.2 -119,-0.0 -119,-0.1 -0.880 79.3 -21.9-175.4-154.8 13.9 86.4 229.1 508 173 C T S S+ 0 0 33 -2,-0.3 -113,-0.2 1,-0.1 2,-0.1 -0.994 108.7 32.6-134.9 140.9 16.3 85.2 226.5 509 174 C P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -120,-0.2 0.596 81.8 160.0 -76.5 159.0 16.1 83.8 224.0 510 175 C A E -K 388 0C 0 -122,-1.4 -122,-3.4 10,-0.2 2,-0.4 -0.992 23.3-150.1-143.3 142.9 12.8 85.4 223.1 511 176 C F E -KL 387 519C 4 8,-3.2 8,-2.6 -2,-0.3 2,-0.4 -0.949 6.9-165.2-123.6 137.7 11.2 85.8 219.7 512 177 C A E -KL 386 518C 0 -126,-2.4 -126,-3.4 -2,-0.4 2,-0.5 -0.967 13.1-163.5-115.7 131.6 8.8 88.4 218.3 513 178 C V E >> -KL 385 517C 0 4,-3.1 3,-2.2 -2,-0.4 4,-1.7 -0.971 67.6 -21.6-122.9 126.5 7.0 87.6 215.0 514 179 C G T 34 S- 0 0 33 -130,-3.2 -129,-0.1 -2,-0.5 -1,-0.1 0.700 106.6 -83.8 53.6 18.9 5.3 90.1 212.7 515 180 C G T 34 S+ 0 0 7 -131,-0.5 -140,-2.5 2,-0.2 -1,-0.3 0.588 125.7 80.0 63.1 9.5 5.2 92.4 215.7 516 181 C R T <4 S+ 0 0 105 -3,-2.2 -145,-2.0 -142,-0.2 2,-0.4 0.537 86.2 48.7-121.1 -13.5 2.0 90.6 216.9 517 182 C Y E < -IL 370 513C 3 -4,-1.7 -4,-3.1 -147,-0.3 2,-0.4 -0.980 56.0-169.0-132.6 143.9 3.2 87.4 218.5 518 183 C X E +IL 369 512C 7 -149,-2.4 -149,-2.1 -2,-0.4 2,-0.3 -0.997 14.6 167.7-131.4 134.2 5.9 86.7 221.1 519 184 C T E + L 0 511C 0 -8,-2.6 -8,-3.2 -2,-0.4 -151,-0.1 -0.912 7.0 177.4-140.1 168.6 7.2 83.3 222.0 520 185 C S > - 0 0 0 -153,-0.4 4,-1.8 -2,-0.3 5,-0.2 -0.956 48.8 -89.2-160.5 172.2 10.1 81.7 224.0 521 186 C P T 4 S+ 0 0 28 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.928 127.6 45.0 -58.2 -41.6 11.4 78.4 225.1 522 187 C V T >4 S+ 0 0 98 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.914 111.7 50.3 -68.8 -43.3 9.4 78.6 228.2 523 188 C L T 34 S+ 0 0 49 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.760 115.0 44.7 -67.1 -23.4 6.2 79.7 226.5 524 189 C A T 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.363 86.9 100.7 -99.3 3.5 6.5 76.8 224.0 525 190 C G S < S+ 0 0 13 -3,-1.2 2,-0.7 -4,-0.2 -182,-0.3 0.921 73.9 55.9 -52.9 -54.1 7.3 74.4 226.8 526 191 C N - 0 0 44 -4,-0.4 2,-0.9 -3,-0.2 -186,-0.2 -0.755 64.4-173.9 -89.0 111.2 3.9 72.8 227.0 527 192 C D > + 0 0 8 -188,-2.4 4,-2.6 -2,-0.7 5,-0.2 -0.726 9.7 170.5-106.6 84.2 2.7 71.4 223.7 528 193 C Y H > S+ 0 0 15 -2,-0.9 4,-1.6 -163,-0.4 -1,-0.2 0.944 82.3 41.0 -56.7 -54.6 -0.9 70.3 224.4 529 194 C A H > S+ 0 0 40 1,-0.2 4,-2.3 -164,-0.2 -1,-0.2 0.881 112.9 58.6 -63.2 -36.0 -1.9 69.6 220.8 530 195 C G H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.915 101.1 53.3 -59.2 -44.9 1.6 68.1 220.4 531 196 C A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.937 109.7 48.0 -57.2 -46.9 0.9 65.5 223.1 532 197 C L H X S+ 0 0 15 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.913 110.5 53.0 -61.5 -38.5 -2.3 64.4 221.4 533 198 C K H X S+ 0 0 109 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.897 110.6 46.2 -64.1 -37.7 -0.3 64.2 218.2 534 199 C V H X S+ 0 0 12 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.917 108.7 55.7 -69.4 -40.8 2.3 62.0 219.8 535 200 C V H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.943 106.1 52.6 -53.6 -46.5 -0.6 59.9 221.3 536 201 C D H X S+ 0 0 63 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.900 110.3 46.7 -56.6 -43.0 -1.8 59.4 217.8 537 202 C Q H X S+ 0 0 109 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.917 111.5 52.1 -66.0 -42.4 1.6 58.2 216.7 538 203 C L H X S+ 0 0 2 -4,-3.3 4,-2.9 2,-0.2 5,-0.3 0.931 105.0 55.4 -60.2 -44.4 1.8 55.9 219.7 539 204 C I H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.3 5,-0.2 0.950 108.9 47.2 -52.4 -51.5 -1.6 54.4 218.9 540 205 C V H X S+ 0 0 66 -4,-1.9 4,-0.9 1,-0.2 -1,-0.3 0.855 111.9 52.9 -59.2 -33.7 -0.3 53.5 215.4 541 206 C Q H < S+ 0 0 72 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.907 112.3 41.5 -70.0 -42.5 2.8 52.1 217.0 542 207 C S H < S+ 0 0 33 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.847 106.7 62.0 -75.5 -31.7 1.0 49.8 219.5 543 208 C R H < 0 0 108 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.841 360.0 360.0 -59.8 -30.0 -1.6 48.7 216.9 544 209 C E < 0 0 187 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.750 360.0 360.0 -94.9 360.0 1.5 47.3 215.0