==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-JAN-05 1YJQ . COMPND 2 MOLECULE: 2-DEHYDROPANTOATE 2-REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.M.C.LOBLEY,A.CIULLI,H.M.WHITNEY,G.WILLIAMS,A.G.SMITH, . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 7.2 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 1 0 1 1 1 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 2 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 . 0 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 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 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 M 0 0 50 0, 0.0 2,-0.6 0, 0.0 24,-0.5 0.000 360.0 360.0 360.0 148.2 11.2 8.1 -12.7 2 2 A K E -a 25 0A 45 22,-0.2 63,-3.0 61,-0.1 64,-1.2 -0.789 360.0-179.1 -95.3 116.6 15.0 8.7 -11.9 3 3 A I E -ab 26 66A 1 22,-2.5 24,-1.6 -2,-0.6 2,-0.5 -0.935 25.7-156.3-125.8 135.9 15.7 8.1 -8.2 4 4 A T E -ab 27 67A 0 62,-2.4 64,-2.9 -2,-0.4 2,-0.7 -0.958 17.3-154.4-104.2 125.0 18.8 8.4 -6.0 5 5 A V E -ab 28 68A 0 22,-2.9 24,-1.5 -2,-0.5 2,-0.7 -0.908 5.0-155.5-101.5 110.6 18.5 6.2 -2.8 6 6 A L E S+ab 29 69A 6 62,-2.8 64,-2.9 -2,-0.7 24,-0.1 -0.809 70.4 31.4 -91.5 112.8 20.6 7.6 -0.0 7 7 A G - 0 0 10 22,-2.1 2,-0.7 -2,-0.7 5,-0.2 0.747 65.7-152.6 103.9 94.5 21.5 4.8 2.4 8 8 A C + 0 0 17 21,-0.3 30,-0.1 4,-0.1 -1,-0.1 -0.268 56.2 111.0 -96.3 45.1 21.9 1.4 1.0 9 9 A G S > S- 0 0 26 -2,-0.7 4,-2.5 61,-0.3 5,-0.3 0.167 88.9 -50.4 -96.8-147.0 21.0 -0.6 4.1 10 10 A A H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 113,-0.1 0.968 137.8 34.4 -63.1 -55.0 18.0 -2.8 4.8 11 11 A L H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.899 117.9 52.2 -65.8 -42.7 15.3 -0.3 3.8 12 12 A G H > S+ 0 0 0 58,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.868 110.1 49.7 -61.2 -38.8 17.2 1.3 1.0 13 13 A Q H X S+ 0 0 10 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.849 108.4 53.7 -72.5 -34.0 17.9 -2.1 -0.5 14 14 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.932 113.0 42.5 -56.8 -51.3 14.2 -2.9 -0.3 15 15 A W H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.915 113.4 52.0 -66.8 -41.5 13.3 0.3 -2.2 16 16 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.926 112.6 46.4 -56.5 -48.2 16.1 -0.2 -4.7 17 17 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.970 114.7 45.9 -60.8 -53.2 14.9 -3.7 -5.4 18 18 A A H X S+ 0 0 5 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.901 112.1 51.2 -57.8 -38.6 11.3 -2.7 -5.7 19 19 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.2 1,-0.2 3,-1.0 0.931 109.5 50.3 -69.2 -39.0 12.1 0.4 -7.9 20 20 A C H ><5S+ 0 0 38 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.870 102.6 61.0 -65.1 -36.7 14.1 -1.8 -10.3 21 21 A K H 3<5S+ 0 0 90 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.683 108.6 43.8 -66.8 -17.0 11.3 -4.3 -10.6 22 22 A Q T <<5S- 0 0 108 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.227 121.2-108.6-105.0 6.1 9.1 -1.6 -12.0 23 23 A G T < 5 + 0 0 66 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.626 61.9 154.5 82.2 13.6 11.8 -0.3 -14.3 24 24 A H < - 0 0 30 -5,-2.2 2,-0.6 1,-0.1 -1,-0.2 -0.565 49.6-115.6 -74.0 140.7 12.7 3.0 -12.6 25 25 A E E +a 2 0A 113 -24,-0.5 -22,-2.5 -2,-0.2 2,-0.3 -0.654 50.0 173.0 -78.9 118.6 16.2 4.2 -13.2 26 26 A V E -a 3 0A 15 -2,-0.6 28,-0.4 -24,-0.2 2,-0.3 -0.870 26.3-176.0-127.9 162.2 18.1 4.1 -9.9 27 27 A Q E -a 4 0A 0 -24,-1.6 -22,-2.9 -2,-0.3 28,-0.2 -0.971 22.0-128.8-143.6 158.5 21.3 4.6 -8.1 28 28 A G E -ac 5 55A 0 26,-2.8 28,-1.6 -2,-0.3 2,-0.4 -0.533 11.6-148.1 -90.7 164.6 22.5 4.1 -4.5 29 29 A W E -a 6 0A 39 -24,-1.5 -22,-2.1 26,-0.2 -21,-0.3 -0.946 19.0-164.9-141.2 119.4 24.4 6.7 -2.4 30 30 A L - 0 0 43 -2,-0.4 4,-0.1 4,-0.2 -24,-0.0 -0.672 28.8-130.9-108.3 156.3 26.9 5.4 0.1 31 31 A R S S+ 0 0 222 -2,-0.2 -1,-0.1 1,-0.2 -25,-0.0 0.929 109.4 42.9 -59.8 -56.4 28.8 6.8 3.1 32 32 A V S S- 0 0 80 -3,-0.0 -1,-0.2 1,-0.0 -2,-0.0 -0.880 108.0-122.4 -93.9 101.5 32.1 5.4 2.0 33 33 A P + 0 0 89 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.140 43.2 160.7 -52.3 134.8 31.9 6.3 -1.7 34 34 A Q - 0 0 102 -4,-0.1 -4,-0.2 0, 0.0 21,-0.0 -0.933 48.6-114.2-140.4 162.2 32.2 3.4 -4.2 35 35 A P S S+ 0 0 92 0, 0.0 20,-1.5 0, 0.0 2,-0.3 0.528 96.5 24.6 -74.9 -7.8 31.1 3.3 -7.8 36 36 A Y E -H 54 0B 128 18,-0.3 2,-0.3 -9,-0.1 18,-0.2 -0.959 67.5-140.8-151.2 159.3 28.4 0.7 -7.2 37 37 A C E -H 53 0B 4 16,-2.6 16,-2.6 -2,-0.3 2,-0.5 -0.947 20.7-123.7-125.2 151.3 26.3 -0.6 -4.4 38 38 A S E -H 52 0B 72 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.807 20.9-169.9 -97.5 123.8 25.3 -4.2 -3.7 39 39 A V E +H 51 0B 0 12,-3.1 12,-2.9 -2,-0.5 2,-0.4 -0.985 13.1 166.0-115.3 124.6 21.7 -5.0 -3.5 40 40 A N E +H 50 0B 38 -2,-0.5 89,-3.2 10,-0.2 2,-0.4 -0.883 14.4 165.2-137.1 93.8 20.9 -8.5 -2.1 41 41 A L E -Hi 49 129B 0 8,-3.1 8,-2.2 -2,-0.4 2,-0.6 -0.968 28.2-155.9-126.8 131.6 17.3 -8.9 -1.2 42 42 A V E -Hi 48 130B 33 87,-3.1 89,-2.7 -2,-0.4 6,-0.2 -0.886 24.3-143.3-105.0 118.5 15.0 -11.9 -0.5 43 43 A E > - 0 0 30 4,-2.6 3,-1.7 -2,-0.6 -1,-0.0 -0.076 29.3 -98.1 -76.3 170.9 11.4 -11.1 -1.1 44 44 A T T 3 S+ 0 0 75 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.760 125.0 54.4 -64.7 -25.6 8.5 -12.4 1.0 45 45 A D T 3 S- 0 0 120 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.157 121.9-105.1 -90.9 15.6 7.9 -15.2 -1.6 46 46 A G S < S+ 0 0 48 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.0 0.209 73.5 142.8 79.0 -12.6 11.6 -16.4 -1.3 47 47 A S - 0 0 48 -5,-0.1 -4,-2.6 1,-0.1 2,-0.4 -0.242 43.1-135.0 -61.3 149.3 12.6 -14.8 -4.7 48 48 A I E -H 42 0B 127 -6,-0.2 2,-0.5 -3,-0.1 -6,-0.2 -0.922 18.6-170.2-116.1 133.2 16.1 -13.4 -4.8 49 49 A F E +H 41 0B 37 -8,-2.2 -8,-3.1 -2,-0.4 2,-0.5 -0.977 13.8 169.6-121.0 112.2 17.3 -10.1 -6.2 50 50 A N E +H 40 0B 106 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.990 18.1 147.7-127.3 114.7 21.1 -9.8 -6.3 51 51 A E E -H 39 0B 95 -12,-2.9 -12,-3.1 -2,-0.5 2,-0.5 -0.987 44.0-137.5-153.4 148.4 22.4 -6.9 -8.2 52 52 A S E -H 38 0B 73 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.979 34.4-176.6-108.8 118.4 25.2 -4.3 -8.5 53 53 A L E -H 37 0B 21 -16,-2.6 -16,-2.6 -2,-0.5 -26,-0.1 -0.836 33.2 -83.3-115.9 159.8 23.8 -0.9 -9.2 54 54 A T E -H 36 0B 65 -28,-0.4 -26,-2.8 -2,-0.3 2,-0.3 -0.207 48.6-174.9 -52.4 144.1 25.3 2.5 -9.8 55 55 A A B +c 28 0A 4 -20,-1.5 -26,-0.2 -28,-0.2 -51,-0.0 -0.985 53.4 8.9-142.2 152.2 26.3 4.5 -6.7 56 56 A N S S+ 0 0 28 -28,-1.6 -27,-0.1 -2,-0.3 3,-0.1 0.781 70.3 153.9 55.2 38.9 27.7 8.0 -5.9 57 57 A D > - 0 0 56 -29,-0.3 4,-2.0 1,-0.1 -1,-0.2 -0.899 28.5-164.0 -94.9 110.4 27.3 9.3 -9.5 58 58 A P H > S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.827 87.4 53.6 -72.8 -27.8 27.0 13.1 -9.0 59 59 A D H 4 S+ 0 0 124 2,-0.2 4,-0.4 1,-0.2 5,-0.0 0.900 108.4 50.1 -68.0 -41.8 25.6 13.7 -12.5 60 60 A F H >4 S+ 0 0 17 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.890 111.5 49.5 -57.3 -48.8 23.0 11.1 -11.9 61 61 A L H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.883 105.7 57.8 -53.0 -44.8 22.1 12.9 -8.6 62 62 A A T 3< S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.560 113.9 37.1 -68.7 -14.3 21.9 16.3 -10.4 63 63 A T T < S+ 0 0 79 -3,-0.9 -1,-0.3 -4,-0.4 2,-0.2 -0.007 87.9 128.3-124.2 22.9 19.2 15.0 -12.8 64 64 A S < - 0 0 1 -3,-1.6 -61,-0.2 1,-0.1 3,-0.1 -0.575 50.6-151.5 -80.8 143.8 17.3 12.8 -10.3 65 65 A D S S+ 0 0 79 -63,-3.0 2,-0.3 1,-0.3 -62,-0.2 0.511 83.2 19.5 -86.0 -11.9 13.5 13.3 -9.9 66 66 A L E -b 3 0A 0 -64,-1.2 -62,-2.4 25,-0.1 2,-0.6 -0.961 58.3-151.7-158.6 134.3 13.6 12.2 -6.3 67 67 A L E -bd 4 93A 0 25,-2.0 27,-2.6 -2,-0.3 2,-0.6 -0.979 22.1-163.7-103.2 112.4 16.1 11.8 -3.5 68 68 A L E -bd 5 94A 0 -64,-2.9 -62,-2.8 -2,-0.6 2,-0.6 -0.887 4.5-158.5 -98.6 122.9 14.9 8.9 -1.4 69 69 A V E +bd 6 95A 1 25,-3.1 27,-2.6 -2,-0.6 -62,-0.2 -0.901 23.6 165.5-114.0 118.4 16.6 8.9 2.0 70 70 A T + 0 0 15 -64,-2.9 -58,-0.4 -2,-0.6 -61,-0.3 -0.394 33.1 130.8-128.0 48.8 16.6 5.7 4.1 71 71 A L - 0 0 25 1,-0.1 5,-0.1 -60,-0.1 25,-0.1 -0.687 67.1 -92.6 -93.5 159.3 19.3 6.5 6.7 72 72 A K >> - 0 0 64 -2,-0.2 3,-2.0 1,-0.1 4,-0.8 -0.389 49.4-102.7 -64.4 152.5 19.1 6.1 10.4 73 73 A A H >> S+ 0 0 0 1,-0.3 3,-0.7 25,-0.2 4,-0.5 0.771 119.2 52.1 -56.5 -41.0 17.9 9.4 12.0 74 74 A W H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.635 111.4 50.0 -73.2 -14.5 21.3 10.6 13.3 75 75 A Q H <> S+ 0 0 64 -3,-2.0 4,-1.3 2,-0.1 -1,-0.2 0.622 93.9 79.8 -88.3 -17.9 22.8 10.1 9.9 76 76 A V H S+ 0 0 119 -4,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.907 115.7 48.4 -64.8 -38.7 24.4 16.1 7.4 79 79 A A H X S+ 0 0 28 -4,-1.3 4,-0.8 1,-0.2 -2,-0.2 0.903 113.7 46.3 -70.6 -38.0 24.2 13.6 4.6 80 80 A V H >X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.9 0.920 109.6 53.2 -66.7 -46.2 21.2 15.4 3.0 81 81 A K H 3< S+ 0 0 103 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.834 105.1 56.0 -59.9 -31.0 22.7 18.9 3.3 82 82 A S H 3< S+ 0 0 80 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.741 113.4 39.3 -76.3 -22.7 25.9 17.7 1.6 83 83 A L H XX S+ 0 0 9 -3,-0.9 4,-2.1 -4,-0.8 3,-1.6 0.574 93.7 88.7 -93.7 -13.8 23.9 16.5 -1.5 84 84 A A T 3< S+ 0 0 16 -4,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.769 81.8 54.1 -66.0 -27.2 21.4 19.4 -1.6 85 85 A S T 34 S+ 0 0 115 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.627 112.8 45.5 -82.7 -11.9 23.5 21.8 -3.8 86 86 A T T <4 S+ 0 0 58 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.828 97.2 81.6 -90.3 -43.1 23.8 19.1 -6.4 87 87 A L S < S- 0 0 6 -4,-2.1 -25,-0.2 1,-0.1 -24,-0.1 -0.311 98.0 -95.8 -61.1 138.0 20.2 18.0 -6.4 88 88 A P > - 0 0 38 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.293 29.2-123.5 -53.8 143.4 17.9 20.2 -8.5 89 89 A V T 3 S+ 0 0 77 1,-0.3 -2,-0.1 -4,-0.1 -3,-0.0 0.687 111.5 50.1 -63.3 -20.4 16.1 22.8 -6.4 90 90 A T T 3 S+ 0 0 104 21,-0.2 -1,-0.3 2,-0.1 21,-0.0 0.349 86.1 106.5 -95.5 -0.8 12.7 21.5 -7.6 91 91 A T S < S- 0 0 10 -3,-1.7 -25,-0.1 -25,-0.1 -26,-0.1 -0.748 71.3-125.8 -90.5 125.8 13.5 17.9 -6.8 92 92 A P - 0 0 3 0, 0.0 -25,-2.0 0, 0.0 2,-0.5 -0.280 12.6-148.4 -64.7 145.0 11.7 16.5 -3.8 93 93 A I E -de 67 113A 0 19,-2.4 21,-2.9 -27,-0.2 2,-0.6 -0.986 11.2-162.2-114.1 119.8 13.6 14.9 -0.9 94 94 A L E -de 68 114A 0 -27,-2.6 -25,-3.1 -2,-0.5 2,-0.5 -0.929 2.6-159.5-108.5 116.2 11.7 12.1 0.9 95 95 A L E -de 69 115A 0 19,-2.9 21,-2.5 -2,-0.6 2,-0.5 -0.865 9.3-177.6 -94.8 125.6 12.9 11.1 4.3 96 96 A I E + e 0 116A 3 -27,-2.6 2,-0.3 -2,-0.5 21,-0.2 -0.928 32.2 113.2-123.4 106.9 11.9 7.7 5.7 97 97 A H - 0 0 12 19,-1.0 2,-0.1 -2,-0.5 -25,-0.1 -0.971 61.4 -99.9-154.4 172.8 13.2 6.9 9.1 98 98 A N S S+ 0 0 80 -2,-0.3 -25,-0.2 19,-0.1 79,-0.0 -0.459 83.5 33.5 -89.5 159.2 12.1 6.4 12.7 99 99 A G S S- 0 0 10 -2,-0.1 2,-0.3 74,-0.1 161,-0.2 -0.057 75.8-113.2 81.2 174.2 12.4 9.2 15.3 100 100 A M S S+ 0 0 6 159,-2.3 163,-0.2 1,-0.1 164,-0.1 -0.915 73.7 80.4-138.8 168.0 11.9 12.9 14.7 101 101 A G > + 0 0 5 -2,-0.3 4,-0.5 162,-0.1 -1,-0.1 0.253 65.0 100.3 113.7 -10.9 14.1 16.0 14.9 102 102 A T T >4 S+ 0 0 0 2,-0.2 3,-0.8 1,-0.2 4,-0.3 0.858 78.6 57.9 -71.1 -32.8 15.8 15.7 11.4 103 103 A I G >4 S+ 0 0 9 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.904 99.8 56.9 -66.8 -38.7 13.4 18.3 9.9 104 104 A E G >4 S+ 0 0 69 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.773 106.5 51.4 -58.2 -28.4 14.5 20.9 12.5 105 105 A E G << S+ 0 0 59 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.473 109.6 51.9 -84.7 -3.5 18.0 20.3 11.2 106 106 A L G X + 0 0 2 -3,-2.0 3,-1.3 -4,-0.3 -1,-0.2 -0.065 66.1 123.1-127.0 31.7 16.8 20.8 7.6 107 107 A Q T < S+ 0 0 94 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.792 75.6 49.9 -67.1 -31.9 15.0 24.2 7.8 108 108 A N T 3 S+ 0 0 158 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.284 76.0 124.8 -92.3 6.3 17.1 25.9 5.1 109 109 A I < - 0 0 13 -3,-1.3 4,-0.1 1,-0.2 -3,-0.0 -0.589 47.1-160.2 -63.5 130.0 16.7 23.1 2.5 110 110 A Q + 0 0 162 -2,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.709 64.7 88.4 -89.2 -25.1 15.3 24.8 -0.6 111 111 A Q S S- 0 0 7 1,-0.1 2,-0.2 -3,-0.1 -21,-0.2 -0.300 98.5 -87.9 -62.5 156.0 14.0 21.6 -2.1 112 112 A P - 0 0 17 0, 0.0 -19,-2.4 0, 0.0 2,-0.4 -0.536 48.9-149.8 -61.1 133.3 10.5 20.3 -1.3 113 113 A L E -e 93 0A 0 -21,-0.2 29,-2.6 -2,-0.2 30,-0.6 -0.947 16.1-175.8-121.4 124.1 11.0 18.2 1.8 114 114 A L E -eF 94 141A 0 -21,-2.9 -19,-2.9 -2,-0.4 2,-0.4 -0.940 11.9-149.9-122.6 143.1 8.7 15.2 2.5 115 115 A M E -eF 95 140A 2 25,-2.4 25,-2.3 -2,-0.3 2,-0.3 -0.913 17.3-174.5-115.7 145.4 8.6 12.9 5.6 116 116 A G E -eF 96 139A 0 -21,-2.5 -19,-1.0 -2,-0.4 2,-0.3 -0.941 13.8-166.5-138.5 151.0 7.6 9.3 5.5 117 117 A T E - F 0 138A 4 21,-2.0 21,-2.2 -2,-0.3 2,-0.3 -0.962 12.9-166.7-130.6 155.9 7.0 6.4 7.9 118 118 A T E - F 0 137A 24 -2,-0.3 19,-0.2 19,-0.2 45,-0.0 -0.994 27.6-160.6-143.4 146.4 6.7 2.7 7.0 119 119 A T + 0 0 73 17,-2.2 18,-0.1 -2,-0.3 -1,-0.1 0.395 60.2 117.3-102.1 1.8 5.5 -0.5 8.6 120 120 A H - 0 0 13 16,-0.3 2,-0.4 12,-0.0 14,-0.2 -0.342 58.5-141.6 -54.0 153.0 7.4 -2.7 6.1 121 121 A A E +J 133 0B 38 12,-2.3 12,-1.4 -111,-0.0 11,-1.3 -0.992 24.1 172.8-126.3 127.3 10.0 -4.8 7.8 122 122 A A E -J 131 0B 28 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.998 10.0-168.7-133.0 132.1 13.5 -5.5 6.4 123 123 A R E -J 130 0B 115 7,-2.1 7,-2.6 -2,-0.4 2,-0.3 -0.984 20.3-126.0-129.3 131.1 16.2 -7.3 8.4 124 124 A R E -J 129 0B 125 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.620 23.0-179.9 -73.0 133.0 19.9 -7.7 7.7 125 125 A D E > -J 128 0B 76 3,-2.8 3,-1.3 -2,-0.3 2,-0.5 -0.831 69.3 -59.0-131.0 88.0 21.2 -11.4 7.7 126 126 A G T 3 S- 0 0 66 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.626 119.0 -20.5 69.2-120.8 24.9 -11.1 7.0 127 127 A N T 3 S+ 0 0 74 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.2 0.052 123.7 90.3-106.3 21.3 25.1 -9.4 3.6 128 128 A V E < - J 0 125B 44 -3,-1.3 -3,-2.8 -89,-0.1 2,-0.5 -0.965 63.9-148.7-116.5 135.3 21.5 -10.4 2.6 129 129 A I E -iJ 41 124B 0 -89,-3.2 -87,-3.1 -2,-0.4 2,-0.5 -0.882 12.4-155.7 -97.9 135.0 18.4 -8.3 3.3 130 130 A I E -iJ 42 123B 39 -7,-2.6 -7,-2.1 -2,-0.5 2,-1.2 -0.943 14.8-139.6-113.6 124.5 15.2 -10.1 4.0 131 131 A H E + J 0 122B 2 -89,-2.7 -9,-0.2 -2,-0.5 3,-0.1 -0.707 29.8 174.3 -74.3 95.5 11.8 -8.5 3.4 132 132 A V E + 0 0 73 -11,-1.3 2,-0.3 -2,-1.2 -1,-0.2 0.900 59.5 9.3 -77.3 -41.6 10.1 -10.0 6.5 133 133 A A E - J 0 121B 40 -12,-1.4 -12,-2.3 -3,-0.2 -1,-0.3 -1.000 63.0-134.4-144.8 143.3 6.8 -8.2 6.2 134 134 A N + 0 0 89 -2,-0.3 2,-0.3 -14,-0.2 28,-0.1 -0.281 41.5 140.1 -77.2 172.7 4.8 -6.0 3.8 135 135 A G - 0 0 16 26,-0.6 2,-0.4 -15,-0.1 -1,-0.1 -0.891 43.3 -55.3 177.7-149.3 3.1 -2.9 5.1 136 136 A I - 0 0 79 -2,-0.3 -17,-2.2 2,-0.0 2,-0.5 -0.951 28.0-160.7-134.0 138.3 2.1 0.7 4.6 137 137 A T E -Fg 118 163A 1 25,-2.5 27,-2.3 -2,-0.4 2,-0.4 -0.994 8.5-166.7-122.3 124.0 4.1 3.8 3.9 138 138 A H E -Fg 117 164A 35 -21,-2.2 -21,-2.0 -2,-0.5 2,-0.3 -0.940 7.2-175.5-111.6 137.2 2.7 7.2 4.6 139 139 A I E +Fg 116 165A 1 25,-2.2 27,-3.1 -2,-0.4 -23,-0.2 -0.935 11.3 148.8-128.8 148.1 4.3 10.4 3.2 140 140 A G E -F 115 0A 0 -25,-2.3 -25,-2.4 -2,-0.3 27,-0.2 -0.950 51.4 -51.9-157.4-173.1 3.6 14.1 3.7 141 141 A P E -F 114 0A 16 0, 0.0 -27,-0.3 0, 0.0 29,-0.2 -0.364 37.7-154.7 -69.7 133.8 5.0 17.6 3.8 142 142 A A S S+ 0 0 9 -29,-2.6 2,-0.3 -2,-0.1 -28,-0.2 0.857 74.4 22.6 -79.1 -34.5 7.9 17.9 6.3 143 143 A R S > S- 0 0 21 -30,-0.6 3,-1.3 4,-0.1 -30,-0.1 -0.780 88.3 -98.4-130.6 168.0 7.5 21.6 7.0 144 144 A Q T 3 S+ 0 0 193 1,-0.3 -1,-0.0 -2,-0.3 -2,-0.0 0.858 120.0 52.8 -57.1 -35.6 4.8 24.2 6.7 145 145 A Q T 3 S+ 0 0 121 2,-0.0 2,-0.3 -4,-0.0 -1,-0.3 0.656 82.7 108.5 -77.3 -14.9 6.1 25.4 3.4 146 146 A D < - 0 0 14 -3,-1.3 3,-0.1 1,-0.1 -35,-0.0 -0.509 55.7-155.7 -80.0 128.7 6.1 22.0 1.7 147 147 A G - 0 0 38 -2,-0.3 2,-1.1 1,-0.1 -1,-0.1 0.241 35.5 -43.8 -90.4-157.1 3.4 21.6 -0.9 148 148 A D + 0 0 112 1,-0.1 3,-0.2 -7,-0.0 -1,-0.1 -0.628 53.0 154.4 -85.6 101.4 1.4 18.9 -2.6 149 149 A Y >> + 0 0 52 -2,-1.1 3,-2.0 1,-0.2 4,-0.5 -0.063 28.9 127.5-111.7 28.7 3.6 16.0 -3.6 150 150 A S H >> + 0 0 35 1,-0.3 4,-1.7 2,-0.2 3,-1.1 0.808 59.3 75.7 -55.2 -28.5 0.8 13.4 -3.6 151 151 A Y H 3> S+ 0 0 98 1,-0.3 4,-1.7 -3,-0.2 -1,-0.3 0.794 89.5 57.7 -53.8 -30.3 1.8 12.4 -7.1 152 152 A L H <> S+ 0 0 0 -3,-2.0 4,-2.6 2,-0.2 -1,-0.3 0.830 101.3 54.6 -68.6 -36.9 4.8 10.6 -5.5 153 153 A A H < S+ 0 0 53 -4,-1.7 3,-1.3 -5,-0.2 4,-0.4 0.960 115.4 46.9 -68.2 -48.0 3.9 6.4 -8.2 156 156 A L H >X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.3 3,-1.1 0.767 99.1 69.3 -72.3 -21.7 5.4 4.6 -5.2 157 157 A Q H 3< S+ 0 0 71 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.871 100.3 49.3 -56.8 -39.3 2.1 2.8 -4.6 158 158 A T T << S+ 0 0 87 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.522 115.8 45.6 -76.2 -11.1 2.9 0.8 -7.8 159 159 A V T <4 S+ 0 0 10 -3,-1.1 -2,-0.2 -4,-0.4 -3,-0.1 0.868 132.7 4.6 -95.5 -52.7 6.4 0.1 -6.5 160 160 A L S < S- 0 0 4 -4,-2.7 -23,-0.1 -23,-0.0 -1,-0.1 -0.698 96.7-116.9-138.2 79.8 6.0 -0.9 -2.9 161 161 A P S S+ 0 0 64 0, 0.0 -26,-0.6 0, 0.0 -4,-0.1 -0.179 84.0 40.7 -52.1 145.4 2.2 -1.2 -2.0 162 162 A D + 0 0 86 -28,-0.1 -25,-2.5 -25,-0.1 2,-0.4 0.737 65.3 150.3 -99.8 143.1 0.6 0.5 0.1 163 163 A V E +g 137 0A 11 -27,-0.2 2,-0.4 -10,-0.2 -25,-0.2 -1.000 15.7 178.3-129.6 133.5 1.7 4.1 -0.1 164 164 A A E -g 138 0A 35 -27,-2.3 -25,-2.2 -2,-0.4 2,-0.3 -0.998 27.9-124.4-138.6 142.2 -0.5 7.0 0.8 165 165 A W E -g 139 0A 47 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.669 28.4-175.6 -76.7 133.6 -0.2 10.8 1.0 166 166 A H > - 0 0 69 -27,-3.1 3,-1.3 -2,-0.3 4,-0.1 -0.920 21.6-165.3-135.2 111.3 -1.1 12.3 4.3 167 167 A N T 3 S+ 0 0 113 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.836 95.3 57.3 -57.5 -32.4 -1.2 16.1 4.9 168 168 A N T >> + 0 0 111 1,-0.2 4,-1.6 2,-0.1 3,-0.5 -0.053 67.9 130.3 -90.5 33.1 -1.3 15.3 8.7 169 169 A I H <> + 0 0 2 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.856 64.5 61.2 -55.0 -38.0 1.9 13.3 8.5 170 170 A R H 3> S+ 0 0 54 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.909 102.0 49.7 -60.0 -43.7 3.3 15.2 11.5 171 171 A A H <> S+ 0 0 17 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.862 111.2 51.1 -62.9 -38.7 0.6 14.1 13.9 172 172 A E H X S+ 0 0 41 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.918 108.2 51.3 -66.3 -36.4 1.1 10.5 12.8 173 173 A L H X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.894 107.0 54.2 -67.4 -38.7 4.9 10.9 13.4 174 174 A W H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.890 107.9 49.2 -62.8 -40.5 4.2 12.2 16.9 175 175 A R H X S+ 0 0 94 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.885 112.1 47.9 -62.8 -43.8 2.0 9.1 17.8 176 176 A K H X S+ 0 0 44 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.877 109.2 55.0 -66.5 -39.2 4.7 6.7 16.5 177 177 A L H X S+ 0 0 4 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.876 103.2 55.6 -57.6 -41.9 7.3 8.7 18.5 178 178 A A H X S+ 0 0 1 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.934 110.2 45.2 -54.4 -47.6 5.2 8.2 21.7 179 179 A V H >X S+ 0 0 11 -4,-1.5 4,-2.7 1,-0.2 3,-1.0 0.930 113.2 50.0 -63.1 -45.4 5.3 4.4 21.1 180 180 A N H 3X S+ 0 0 17 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.896 103.4 59.9 -61.1 -38.8 9.0 4.6 20.3 181 181 A C H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.704 115.2 35.9 -65.7 -22.0 9.8 6.6 23.5 182 182 A V H S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.905 118.3 51.5 -67.0 -42.5 14.7 2.6 25.7 186 186 A L H X S+ 0 0 3 -4,-1.5 4,-2.7 1,-0.2 5,-0.2 0.943 113.2 44.6 -60.5 -45.9 12.8 0.4 28.2 187 187 A T H X>S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.3 5,-1.0 0.909 114.4 52.0 -62.7 -33.6 13.6 -2.7 26.2 188 188 A A H <5S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.822 114.8 40.4 -69.3 -35.0 17.2 -1.4 25.8 189 189 A I H <5S+ 0 0 38 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.880 120.6 41.8 -81.3 -43.7 17.7 -0.9 29.5 190 190 A W H <5S- 0 0 80 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.587 97.0-135.6 -85.8 -6.8 15.9 -4.1 30.7 191 191 A N T <5 + 0 0 91 -4,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.892 62.0 125.0 50.3 46.5 17.4 -6.3 28.0 192 192 A C < - 0 0 14 -5,-1.0 51,-0.4 -6,-0.2 -1,-0.2 -0.893 66.6 -95.0-129.7 157.7 14.1 -7.9 27.4 193 193 A P > - 0 0 51 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.237 48.5 -99.4 -68.6 168.3 11.7 -8.5 24.4 194 194 A N G > S+ 0 0 10 47,-2.4 3,-1.7 44,-0.5 4,-0.3 0.856 117.0 65.4 -61.5 -34.5 8.9 -6.1 23.9 195 195 A G G > S+ 0 0 8 44,-2.6 3,-1.7 43,-0.3 -1,-0.3 0.810 85.8 70.8 -65.1 -26.1 6.3 -8.2 25.6 196 196 A E G X S+ 0 0 85 -3,-1.4 3,-1.9 43,-0.3 -1,-0.3 0.803 83.0 74.8 -56.1 -25.8 8.0 -7.9 29.0 197 197 A L G X S+ 0 0 0 -3,-1.7 3,-2.2 -4,-0.5 -1,-0.3 0.738 75.7 76.1 -62.9 -20.2 6.9 -4.2 29.1 198 198 A R G < S+ 0 0 104 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.794 84.5 64.8 -68.0 -11.5 3.3 -5.2 29.8 199 199 A H G < S+ 0 0 133 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.351 97.1 61.4 -88.9 9.2 4.5 -5.9 33.4 200 200 A H <> + 0 0 41 -3,-2.2 4,-2.4 1,-0.1 -1,-0.2 -0.395 55.7 147.9-128.8 56.7 5.2 -2.2 33.7 201 201 A P H > S+ 0 0 77 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.861 73.2 53.5 -60.7 -33.4 1.9 -0.4 33.2 202 202 A Q H > S+ 0 0 159 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.934 110.3 44.1 -70.8 -44.6 2.7 2.4 35.5 203 203 A E H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.920 112.9 53.5 -66.1 -39.9 6.0 3.3 33.9 204 204 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.946 110.9 46.6 -57.9 -47.9 4.4 3.1 30.5 205 205 A M H X S+ 0 0 22 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.831 108.7 54.9 -63.2 -37.8 1.6 5.5 31.5 206 206 A Q H X S+ 0 0 64 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.911 109.8 45.3 -63.0 -46.6 4.0 7.9 33.0 207 207 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.919 113.2 51.9 -61.6 -42.2 6.0 8.1 29.8 208 208 A C H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.829 107.0 53.0 -63.1 -36.3 2.7 8.4 27.8 209 209 A E H X S+ 0 0 109 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.932 111.0 46.9 -67.2 -43.1 1.6 11.3 30.2 210 210 A E H X S+ 0 0 18 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.906 115.0 45.2 -61.8 -43.5 4.8 13.2 29.5 211 211 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 3,-0.5 0.932 109.5 54.6 -73.3 -45.0 4.6 12.7 25.7 212 212 A A H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.838 106.2 54.0 -51.2 -38.7 0.9 13.6 25.5 213 213 A A H X S+ 0 0 36 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.838 111.1 44.3 -67.2 -35.0 1.7 16.8 27.2 214 214 A V H X S+ 0 0 0 -4,-1.2 4,-1.6 -3,-0.5 -2,-0.2 0.966 112.5 52.2 -71.8 -50.8 4.3 17.7 24.6 215 215 A I H <>S+ 0 0 2 -4,-3.0 5,-1.7 1,-0.2 4,-0.3 0.861 107.9 51.8 -50.4 -42.5 2.1 16.6 21.8 216 216 A E H ><5S+ 0 0 110 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.930 109.0 50.2 -65.7 -41.0 -0.8 18.9 23.0 217 217 A R H 3<5S+ 0 0 146 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 104.4 59.0 -67.2 -24.0 1.5 21.8 23.2 218 218 A E T 3<5S- 0 0 41 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.488 121.7-108.5 -81.3 -4.0 2.6 21.0 19.6 219 219 A G T < 5S+ 0 0 66 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.483 79.5 122.7 91.5 2.4 -1.1 21.4 18.5 220 220 A H < - 0 0 37 -5,-1.7 2,-0.5 -50,-0.1 -1,-0.3 -0.820 60.8-127.3 -96.7 140.0 -2.0 17.8 17.8 221 221 A H + 0 0 96 -2,-0.4 2,-0.3 -3,-0.1 -5,-0.0 -0.759 52.3 124.0 -87.7 123.3 -4.9 16.3 19.8 222 222 A T - 0 0 26 -2,-0.5 2,-0.3 -10,-0.2 3,-0.1 -0.904 42.6-134.4-154.8-176.4 -4.2 13.1 21.6 223 223 A S > - 0 0 35 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.992 27.1-114.3-142.2 162.6 -4.5 11.8 25.2 224 224 A A H > S+ 0 0 12 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.927 118.3 52.8 -56.9 -40.2 -2.2 9.8 27.5 225 225 A E H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.885 108.2 48.9 -62.1 -44.5 -4.8 6.9 27.4 226 226 A D H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 112.2 47.9 -65.0 -41.2 -4.9 6.8 23.6 227 227 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.945 111.9 51.1 -64.2 -47.1 -1.0 6.8 23.4 228 228 A R H X S+ 0 0 78 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.925 110.1 49.4 -54.8 -44.5 -1.0 4.0 26.1 229 229 A D H X S+ 0 0 82 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.901 110.7 48.8 -66.7 -40.2 -3.5 2.0 24.1 230 230 A Y H X S+ 0 0 42 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.910 110.3 52.9 -65.8 -38.0 -1.5 2.4 20.9 231 231 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.931 109.2 49.0 -57.7 -48.2 1.7 1.3 22.8 232 232 A M H X S+ 0 0 44 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.913 108.4 53.1 -65.0 -35.8 -0.1 -1.8 24.1 233 233 A Q H X S+ 0 0 133 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.910 112.1 45.5 -66.8 -35.0 -1.3 -2.7 20.5 234 234 A V H X S+ 0 0 37 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.930 113.7 48.1 -74.4 -43.3 2.3 -2.4 19.2 235 235 A I H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 4,-0.5 0.924 111.3 52.6 -59.9 -43.1 3.7 -4.5 22.2 236 236 A D H >< S+ 0 0 96 -4,-3.3 3,-0.6 1,-0.3 -1,-0.2 0.891 112.6 43.9 -61.9 -38.3 0.9 -7.1 21.6 237 237 A A H 3< S+ 0 0 83 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.616 125.1 33.5 -83.2 -12.4 1.9 -7.4 17.9 238 238 A T T X< S+ 0 0 31 -4,-1.1 3,-2.5 -3,-0.6 -44,-0.5 0.151 74.9 134.2-125.7 23.0 5.6 -7.5 18.6 239 239 A A T < S+ 0 0 22 -3,-0.6 -44,-2.6 -4,-0.5 -43,-0.3 0.740 77.5 40.2 -48.1 -39.6 5.7 -9.3 22.0 240 240 A E T 3 S+ 0 0 165 -46,-0.2 -1,-0.3 -47,-0.1 2,-0.1 0.421 95.2 109.0 -89.8 -3.9 8.5 -11.7 21.1 241 241 A N < - 0 0 83 -3,-2.5 -47,-2.4 -6,-0.2 2,-0.5 -0.471 66.3-132.4 -80.7 153.3 10.6 -9.2 19.2 242 242 A I - 0 0 53 -49,-0.2 -2,-0.1 -2,-0.1 -54,-0.0 -0.886 38.6-120.5 -91.9 124.1 13.9 -7.6 20.2 243 243 A S > - 0 0 8 -2,-0.5 4,-2.8 -51,-0.4 5,-0.2 -0.251 16.4-112.1 -69.0 162.9 13.5 -3.9 19.6 244 244 A S H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.899 119.2 50.8 -65.6 -39.4 15.8 -2.0 17.2 245 245 A M H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.913 109.7 49.1 -62.7 -41.1 17.3 -0.0 20.1 246 246 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 110.2 52.1 -65.9 -41.4 18.0 -3.3 22.1 247 247 A Q H X S+ 0 0 93 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.933 110.1 49.1 -54.8 -44.6 19.6 -4.7 18.9 248 248 A D H <>S+ 0 0 4 -4,-2.3 5,-2.6 -5,-0.2 -2,-0.2 0.939 111.4 49.2 -60.7 -45.8 21.8 -1.6 18.7 249 249 A I H ><5S+ 0 0 17 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.913 111.9 47.3 -60.1 -44.3 22.7 -1.9 22.3 250 250 A R H 3<5S+ 0 0 133 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.717 114.0 48.1 -73.2 -27.1 23.7 -5.6 22.1 251 251 A A T 3<5S- 0 0 49 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.242 112.8-117.8 -92.9 6.5 25.7 -5.0 18.9 252 252 A L T < 5 + 0 0 118 -3,-1.2 2,-0.3 -4,-0.2 -3,-0.2 0.909 65.7 145.7 52.2 46.5 27.6 -2.0 20.4 253 253 A R < - 0 0 109 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.838 58.5 -97.4-106.2 150.1 26.1 0.3 17.8 254 254 A H - 0 0 48 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.349 46.8-139.5 -59.7 144.0 25.1 4.0 18.2 255 255 A T - 0 0 1 30,-0.1 3,-0.5 -7,-0.0 -10,-0.1 -0.646 17.9-114.5-108.6 170.9 21.3 4.3 18.8 256 256 A E S > S+ 0 0 15 -2,-0.2 3,-2.3 1,-0.2 4,-0.1 0.228 76.5 118.6 -86.6 15.5 18.6 6.6 17.6 257 257 A I G > > + 0 0 0 1,-0.3 5,-2.7 2,-0.2 3,-1.5 0.768 64.4 62.2 -61.7 -34.3 18.0 8.0 21.1 258 258 A D G 3 5S+ 0 0 40 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.741 111.2 42.1 -63.9 -12.5 18.9 11.5 20.2 259 259 A Y G < 5S+ 0 0 24 -3,-2.3 -159,-2.3 3,-0.2 -1,-0.3 0.223 121.8 38.8-117.2 15.2 15.9 11.4 17.8 260 260 A I T <>5S+ 0 0 0 -3,-1.5 4,-2.2 -161,-0.2 3,-0.3 0.369 135.2 0.9-123.0 -97.6 13.5 9.6 20.1 261 261 A N H >5S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -3,-0.1 0.849 132.6 60.0 -63.3 -33.6 13.5 10.4 23.8 262 262 A G H > S+ 0 0 2 -6,-0.4 4,-2.4 -3,-0.3 5,-0.3 0.911 110.0 55.2 -65.5 -45.5 13.9 14.9 20.7 264 264 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.902 108.3 49.2 -55.1 -40.8 11.1 14.6 23.1 265 265 A L H X S+ 0 0 34 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.834 107.9 53.4 -67.6 -37.3 13.3 16.3 25.7 266 266 A R H X S+ 0 0 108 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.941 114.0 42.3 -62.9 -44.5 14.3 19.1 23.3 267 267 A R H X S+ 0 0 65 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.897 112.5 53.6 -72.6 -38.1 10.6 19.9 22.7 268 268 A A H ><>S+ 0 0 1 -4,-2.5 5,-2.4 -5,-0.3 3,-0.7 0.963 110.2 48.4 -54.9 -52.1 9.7 19.4 26.4 269 269 A R H ><5S+ 0 0 77 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.900 108.3 54.0 -56.0 -42.6 12.5 22.0 27.2 270 270 A A H 3<5S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.738 115.3 39.0 -70.1 -23.1 11.2 24.5 24.6 271 271 A H T <<5S- 0 0 51 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.283 113.3-120.0-100.6 9.9 7.7 24.4 26.1 272 272 A G T < 5 + 0 0 63 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.899 60.9 150.3 51.7 43.0 9.1 24.3 29.7 273 273 A I < - 0 0 25 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.2 -0.898 45.6-126.6-101.4 140.3 7.4 20.9 30.5 274 274 A A + 0 0 80 -2,-0.4 -9,-0.0 1,-0.1 -5,-0.0 -0.697 27.6 176.6 -88.0 133.7 9.1 18.6 32.9 275 275 A V > + 0 0 11 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.564 10.3 161.6-135.7 64.4 9.7 15.1 31.7 276 276 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.868 75.4 47.6 -59.2 -37.5 11.5 13.2 34.4 277 277 A E H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.968 113.5 46.8 -70.7 -45.6 10.8 9.7 33.2 278 278 A N H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 111.5 54.5 -59.2 -39.7 11.8 10.4 29.6 279 279 A T H X S+ 0 0 38 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.914 107.3 49.1 -58.3 -43.0 14.9 12.1 31.0 280 280 A R H X S+ 0 0 133 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.885 111.4 49.0 -67.0 -39.2 15.8 9.0 32.9 281 281 A L H X S+ 0 0 7 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.936 112.6 47.9 -65.4 -44.9 15.4 6.8 29.9 282 282 A F H X S+ 0 0 39 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.972 115.3 43.9 -61.4 -52.3 17.5 9.1 27.7 283 283 A E H X S+ 0 0 114 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.905 111.9 53.6 -61.8 -38.0 20.3 9.4 30.3 284 284 A M H X S+ 0 0 56 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.950 112.2 44.5 -66.3 -43.1 20.3 5.7 31.0 285 285 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.911 110.1 54.1 -69.6 -42.5 20.7 4.8 27.3 286 286 A K H X S+ 0 0 59 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.875 109.2 50.6 -53.4 -37.8 23.4 7.5 26.8 287 287 A R H X S+ 0 0 152 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.908 108.6 50.6 -70.0 -40.3 25.3 5.9 29.7 288 288 A K H < S+ 0 0 50 -4,-2.0 4,-0.5 2,-0.2 3,-0.4 0.913 108.6 51.8 -61.8 -44.5 25.0 2.5 28.1 289 289 A E H >< S+ 0 0 3 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.939 105.5 56.0 -54.3 -49.2 26.3 3.8 24.8 290 290 A S H 3< S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.760 90.0 73.5 -61.8 -22.4 29.4 5.3 26.6 291 291 A E T 3< S+ 0 0 148 -4,-1.2 -1,-0.3 -3,-0.4 2,-0.2 0.746 117.9 16.7 -60.7 -25.0 30.1 1.8 27.9 292 292 A Y < 0 0 32 -3,-2.0 -39,-0.1 -4,-0.5 -40,-0.0 -0.586 360.0 360.0-116.2-161.4 31.2 1.2 24.3 293 293 A E 0 0 145 -2,-0.2 -1,-0.1 -41,-0.2 -40,-0.0 0.993 360.0 360.0 74.6 360.0 32.0 4.1 21.7