==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN, HYDROLASE 27-FEB-12 4DXC . COMPND 2 MOLECULE: MALTOSE-BINDING PERIPLASMIC PROTEIN, BETA-LACTAMA . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.VAN DEN AKKER,W.KE . 624 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 30 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.6 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 2 0 0 3 0 4 5 1 2 0 2 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 5 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 5 1 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 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 K 0 0 192 0, 0.0 2,-0.5 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 -62.0 26.3 13.9 -7.5 2 2 A I - 0 0 22 52,-0.4 53,-0.0 267,-0.2 0, 0.0 -0.799 360.0-103.0 -95.0 127.9 25.3 10.5 -6.2 3 3 A E > - 0 0 118 -2,-0.5 3,-0.7 1,-0.1 2,-0.6 -0.213 31.6-137.8 -50.3 121.2 27.0 7.4 -7.6 4 4 A E T 3 S+ 0 0 133 1,-0.2 -1,-0.1 266,-0.1 3,-0.1 -0.773 84.3 25.8 -84.9 118.7 24.8 5.6 -10.1 5 5 A G T 3 S+ 0 0 43 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.332 108.8 66.3 114.8 -5.7 25.1 1.8 -9.6 6 6 A K S < S- 0 0 46 -3,-0.7 2,-0.5 27,-0.1 -1,-0.2 -0.982 71.3-116.4-145.7 159.3 26.0 1.4 -5.9 7 7 A L - 0 0 0 27,-0.4 29,-2.5 -2,-0.3 2,-0.5 -0.820 18.6-166.6-102.8 128.4 24.7 1.9 -2.4 8 8 A V E -a 36 0A 19 -2,-0.5 51,-1.9 27,-0.2 50,-1.6 -0.951 11.7-159.3-111.6 129.2 26.2 4.3 0.2 9 9 A I E -ab 37 59A 0 27,-3.0 29,-3.1 -2,-0.5 2,-0.6 -0.909 10.0-161.2-116.0 133.8 25.0 4.0 3.8 10 10 A W E +ab 38 60A 29 49,-2.4 51,-3.1 -2,-0.4 2,-0.3 -0.952 25.0 155.9-112.5 112.6 25.2 6.5 6.6 11 11 A I - 0 0 5 27,-1.6 51,-0.1 -2,-0.6 6,-0.1 -0.971 43.3 -98.3-133.1 149.4 24.9 5.1 10.1 12 12 A N > - 0 0 41 -2,-0.3 3,-0.8 49,-0.3 5,-0.2 -0.219 27.5-118.8 -67.8 155.9 26.1 6.5 13.5 13 13 A G T 3 S+ 0 0 36 1,-0.2 4,-0.2 27,-0.2 -1,-0.1 0.773 111.2 58.6 -64.7 -30.0 29.3 5.3 15.2 14 14 A D T 3 S+ 0 0 77 2,-0.1 -1,-0.2 3,-0.1 2,-0.1 0.718 96.8 78.8 -73.5 -22.2 27.5 4.0 18.3 15 15 A K S < S- 0 0 28 -3,-0.8 2,-2.3 1,-0.1 3,-0.2 -0.372 103.9 -85.9 -85.0 165.1 25.4 1.6 16.1 16 16 A G > + 0 0 1 281,-0.4 4,-1.7 1,-0.2 5,-0.1 -0.439 59.2 156.2 -73.9 73.7 26.6 -1.7 14.6 17 17 A Y H > S+ 0 0 63 -2,-2.3 4,-1.2 -4,-0.2 -1,-0.2 0.822 74.3 52.1 -68.4 -33.3 28.2 -0.4 11.5 18 18 A N H > S+ 0 0 77 -3,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.795 109.1 50.3 -72.0 -30.8 30.4 -3.5 11.2 19 19 A G H > S+ 0 0 2 2,-0.2 4,-0.9 274,-0.2 274,-0.2 0.847 109.7 49.6 -73.5 -37.3 27.4 -5.8 11.5 20 20 A L H X S+ 0 0 2 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.771 105.3 59.9 -69.9 -28.3 25.5 -3.9 8.8 21 21 A A H X S+ 0 0 14 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.838 99.6 55.2 -66.3 -35.6 28.7 -4.2 6.7 22 22 A E H X S+ 0 0 112 -4,-1.0 4,-1.0 2,-0.2 -1,-0.2 0.818 108.0 48.4 -67.3 -32.9 28.4 -8.0 6.9 23 23 A V H X S+ 0 0 0 -4,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.777 106.9 58.2 -72.8 -30.0 24.9 -7.7 5.5 24 24 A G H X S+ 0 0 2 -4,-1.3 4,-1.6 1,-0.2 11,-0.3 0.804 107.0 46.1 -66.9 -32.4 26.5 -5.4 2.8 25 25 A K H X S+ 0 0 114 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.729 107.4 57.5 -80.1 -26.0 28.7 -8.3 1.8 26 26 A K H X S+ 0 0 76 -4,-1.0 4,-0.7 2,-0.2 -2,-0.2 0.791 113.4 40.4 -70.8 -30.6 25.7 -10.7 1.8 27 27 A F H X>S+ 0 0 1 -4,-1.3 4,-2.0 2,-0.2 5,-0.5 0.826 112.1 56.2 -82.2 -37.7 24.1 -8.3 -0.7 28 28 A E H X5S+ 0 0 61 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.853 106.4 50.5 -63.0 -39.2 27.4 -7.8 -2.6 29 29 A K H <5S+ 0 0 181 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.867 115.6 41.8 -65.9 -38.8 27.8 -11.6 -3.2 30 30 A D H <5S+ 0 0 98 -4,-0.7 -2,-0.2 -5,-0.1 -1,-0.2 0.759 132.1 17.8 -84.9 -28.2 24.3 -12.0 -4.6 31 31 A T H <5S- 0 0 67 -4,-2.0 -3,-0.2 2,-0.1 -2,-0.2 0.758 93.5-120.7-113.0 -40.9 24.1 -8.9 -6.8 32 32 A G << + 0 0 63 -4,-1.1 2,-0.4 -5,-0.5 -4,-0.2 0.841 61.6 138.0 93.6 45.7 27.6 -7.6 -7.4 33 33 A I - 0 0 25 -6,-0.2 2,-0.7 -9,-0.2 -1,-0.3 -0.989 56.9-120.8-130.4 126.0 27.3 -4.1 -6.0 34 34 A K - 0 0 133 -2,-0.4 2,-0.7 -29,-0.2 -27,-0.4 -0.516 27.8-159.9 -68.5 105.6 29.8 -2.3 -3.8 35 35 A V - 0 0 14 -2,-0.7 2,-0.5 -11,-0.3 -27,-0.2 -0.813 6.6-162.7 -91.6 115.1 28.0 -1.5 -0.5 36 36 A T E -a 8 0A 35 -29,-2.5 -27,-3.0 -2,-0.7 2,-0.6 -0.858 6.4-163.2-102.4 129.9 29.8 1.3 1.4 37 37 A V E +a 9 0A 32 -2,-0.5 2,-0.4 -29,-0.2 -27,-0.2 -0.959 15.1 179.6-113.2 116.1 29.1 1.9 5.1 38 38 A E E -a 10 0A 83 -29,-3.1 -27,-1.6 -2,-0.6 -2,-0.0 -0.937 19.7-166.7-120.8 139.2 30.2 5.4 6.3 39 39 A H + 0 0 92 -2,-0.4 2,-0.1 -29,-0.2 -27,-0.1 -0.724 21.6 175.5-123.5 81.2 30.0 6.9 9.8 40 40 A P > - 0 0 40 0, 0.0 3,-0.8 0, 0.0 -27,-0.2 -0.424 39.1 -89.0 -83.5 161.1 30.7 10.7 9.6 41 41 A D T 3 S+ 0 0 115 1,-0.2 5,-0.1 -2,-0.1 4,-0.0 -0.458 106.5 1.1 -69.0 136.9 30.6 13.2 12.4 42 42 A K T >> S+ 0 0 117 -2,-0.2 4,-1.8 1,-0.1 3,-0.9 0.893 75.4 167.2 49.4 53.0 27.1 14.9 12.9 43 43 A L H <> S+ 0 0 0 -3,-0.8 4,-1.4 1,-0.2 -1,-0.1 0.740 71.5 57.8 -68.1 -25.5 25.4 12.9 10.1 44 44 A E H 34 S+ 0 0 35 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.679 114.2 39.2 -76.7 -19.1 21.9 13.9 11.2 45 45 A E H <4 S+ 0 0 107 -3,-0.9 4,-0.5 2,-0.1 -2,-0.2 0.661 113.3 54.7 -99.9 -24.4 22.9 17.5 10.7 46 46 A K H X S+ 0 0 88 -4,-1.8 4,-2.5 1,-0.2 3,-0.5 0.797 96.6 67.4 -76.1 -31.3 25.0 16.9 7.6 47 47 A F H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 5,-0.3 0.838 95.9 52.3 -62.7 -39.4 22.1 15.3 5.8 48 48 A P H > S+ 0 0 45 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.817 114.1 47.2 -62.5 -28.3 19.9 18.4 5.5 49 49 A Q H 4 S+ 0 0 136 -3,-0.5 4,-0.4 -4,-0.5 -2,-0.2 0.912 118.0 36.6 -78.8 -46.6 23.0 20.1 4.0 50 50 A V H ><>S+ 0 0 39 -4,-2.5 5,-1.8 1,-0.2 3,-0.8 0.888 114.5 52.1 -76.3 -42.0 24.0 17.4 1.4 51 51 A A H ><5S+ 0 0 8 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.738 101.0 62.5 -71.0 -24.8 20.5 16.2 0.3 52 52 A A T 3<5S+ 0 0 74 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.755 101.4 52.8 -69.4 -26.6 19.3 19.8 -0.5 53 53 A T T < 5S- 0 0 96 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.161 127.8 -97.9 -94.5 16.5 22.0 20.1 -3.1 54 54 A G T < 5S+ 0 0 34 -3,-1.1 -52,-0.4 1,-0.2 -3,-0.2 0.735 95.3 96.0 74.1 25.7 20.9 16.8 -4.8 55 55 A D < + 0 0 55 -5,-1.8 214,-0.2 -54,-0.1 -1,-0.2 -0.418 34.7 91.8-127.0-163.3 23.6 14.8 -3.1 56 56 A G S S- 0 0 10 -2,-0.1 -48,-0.1 -55,-0.1 -9,-0.0 -0.327 73.3 -38.5 100.6 178.6 24.2 12.6 0.0 57 57 A P - 0 0 2 0, 0.0 210,-0.2 0, 0.0 -48,-0.2 -0.208 45.2-125.4 -72.8 166.5 24.0 8.9 0.8 58 58 A D S S+ 0 0 1 -50,-1.6 209,-2.5 1,-0.3 2,-0.5 0.925 96.3 28.4 -76.1 -48.2 21.4 6.5 -0.6 59 59 A I E -bC 9 266A 0 -51,-1.9 -49,-2.4 207,-0.2 2,-0.4 -0.965 69.3-163.8-121.1 127.0 20.2 5.2 2.9 60 60 A I E -bC 10 265A 0 205,-2.9 205,-2.7 -2,-0.5 2,-0.5 -0.924 6.7-153.3-108.8 132.3 20.3 7.2 6.1 61 61 A F E + C 0 264A 4 -51,-3.1 -49,-0.3 -2,-0.4 2,-0.3 -0.925 38.9 120.0-104.7 122.1 20.0 5.5 9.5 62 62 A W E - C 0 263A 42 201,-2.1 201,-3.4 -2,-0.5 2,-0.1 -0.964 66.1 -70.7-164.5 166.6 18.6 7.6 12.4 63 63 A A E >> - C 0 262A 13 -2,-0.3 3,-1.2 199,-0.3 4,-0.6 -0.417 50.1-114.6 -63.0 142.2 15.8 7.8 15.0 64 64 A H H 3> S+ 0 0 1 197,-1.5 4,-0.6 1,-0.2 -1,-0.1 0.615 103.4 78.6 -56.5 -18.7 12.5 8.7 13.3 65 65 A D H >4 S+ 0 0 27 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.875 96.9 40.8 -64.0 -42.0 12.2 12.1 15.1 66 66 A R H X4 S+ 0 0 63 -3,-1.2 3,-0.7 1,-0.2 4,-0.4 0.702 101.6 74.5 -77.1 -20.8 14.7 13.9 12.8 67 67 A F H 3X S+ 0 0 0 -4,-0.6 4,-1.6 1,-0.3 3,-0.4 0.700 86.5 62.0 -67.1 -22.9 13.1 12.2 9.8 68 68 A G H S+ 0 0 17 -3,-0.7 4,-0.5 -4,-0.4 -1,-0.2 0.584 108.5 47.9 -72.2 -13.1 12.3 17.4 9.4 70 70 A Y H >>S+ 0 0 2 -3,-0.4 4,-2.6 -4,-0.4 5,-2.5 0.787 106.8 54.2 -92.4 -37.0 13.5 15.8 6.2 71 71 A A H <5S+ 0 0 23 -4,-1.6 -2,-0.2 3,-0.2 -3,-0.1 0.784 105.4 56.0 -67.0 -29.5 10.0 14.9 4.9 72 72 A Q H <5S+ 0 0 126 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.917 114.1 37.3 -67.2 -46.8 9.0 18.6 5.3 73 73 A S H <5S- 0 0 81 -4,-0.5 -2,-0.2 0, 0.0 -1,-0.2 0.862 116.4-111.0 -74.2 -39.2 11.9 19.8 3.1 74 74 A G T <5S+ 0 0 46 -4,-2.6 -3,-0.2 3,-0.0 -4,-0.1 0.732 76.5 127.4 109.6 38.7 11.7 16.9 0.6 75 75 A L < + 0 0 14 -5,-2.5 193,-2.6 193,-0.1 194,-0.4 0.556 59.4 68.6 -99.9 -12.5 14.9 15.0 1.3 76 76 A L B S-F 267 0B 16 -6,-0.5 191,-0.2 191,-0.3 2,-0.2 -0.868 74.9-130.7-112.9 145.8 13.3 11.6 1.8 77 77 A A - 0 0 11 189,-3.2 189,-0.3 -2,-0.3 2,-0.2 -0.498 30.0 -96.2 -89.9 157.9 11.6 9.3 -0.7 78 78 A E - 0 0 114 -2,-0.2 2,-0.5 190,-0.1 26,-0.2 -0.497 35.5-138.3 -71.0 141.2 8.2 7.6 -0.5 79 79 A I - 0 0 7 24,-2.7 24,-0.2 -2,-0.2 26,-0.1 -0.907 17.2-173.1-107.4 125.4 8.4 4.0 0.7 80 80 A T + 0 0 79 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.758 15.9 160.3-121.6 83.7 6.1 1.4 -1.0 81 81 A P - 0 0 14 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 -0.829 37.5-117.2 -99.9 145.8 6.2 -2.0 0.8 82 82 A D >> - 0 0 117 -2,-0.4 4,-3.0 1,-0.1 3,-1.6 -0.282 24.3-112.4 -72.0 160.8 3.5 -4.7 0.3 83 83 A K H 3> S+ 0 0 136 1,-0.3 4,-1.8 2,-0.3 5,-0.2 0.770 117.1 70.5 -63.4 -26.8 1.3 -5.9 3.2 84 84 A A H 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.658 115.5 25.6 -61.5 -17.3 3.1 -9.3 2.7 85 85 A F H X4 S+ 0 0 14 -3,-1.6 3,-0.9 2,-0.1 4,-0.4 0.665 115.4 62.5-111.5 -36.5 6.1 -7.3 4.2 86 86 A Q H 3< S+ 0 0 31 -4,-3.0 3,-0.4 1,-0.3 -3,-0.2 0.703 99.5 58.3 -65.9 -21.2 4.3 -4.7 6.2 87 87 A D T 3< S+ 0 0 89 -4,-1.8 -1,-0.3 1,-0.2 -3,-0.1 0.759 92.6 67.6 -76.9 -27.0 2.7 -7.4 8.3 88 88 A K S < S+ 0 0 82 -3,-0.9 217,-2.9 -5,-0.2 218,-0.4 0.648 98.6 62.0 -69.3 -16.4 6.2 -8.7 9.3 89 89 A L B S-G 304 0C 3 -3,-0.4 215,-0.2 -4,-0.4 214,-0.1 -0.756 100.1 -89.5-108.3 159.2 6.8 -5.5 11.3 90 90 A Y >> - 0 0 12 213,-1.4 4,-0.9 -2,-0.3 3,-0.5 -0.370 30.6-127.2 -67.4 141.9 4.9 -4.1 14.3 91 91 A P H 3> S+ 0 0 61 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.703 106.7 52.4 -64.9 -22.5 1.8 -1.8 13.5 92 92 A F H 34 S+ 0 0 48 2,-0.2 4,-0.5 1,-0.2 -2,-0.0 0.779 98.0 63.6 -84.7 -28.3 3.1 1.0 15.8 93 93 A T H X> S+ 0 0 0 -3,-0.5 4,-0.6 1,-0.2 3,-0.5 0.829 102.4 50.7 -64.8 -34.4 6.6 1.3 14.2 94 94 A W H >< S+ 0 0 5 -4,-0.9 3,-1.0 1,-0.2 -1,-0.2 0.865 102.5 59.8 -69.3 -37.9 5.1 2.3 10.9 95 95 A D T 3< S+ 0 0 65 -4,-0.7 3,-0.4 1,-0.3 -1,-0.2 0.601 100.9 57.3 -67.7 -11.8 3.0 5.0 12.6 96 96 A A T <4 S+ 0 0 2 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.703 108.0 45.9 -86.8 -25.1 6.3 6.5 13.7 97 97 A V S << S+ 0 0 0 -3,-1.0 7,-2.0 -4,-0.6 8,-0.6 -0.099 89.9 112.0-108.9 33.3 7.6 6.8 10.2 98 98 A R E +H 103 0D 85 -3,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.924 36.8 177.6-110.5 128.6 4.4 8.3 8.7 99 99 A Y E > S-H 102 0D 75 3,-1.1 3,-1.0 -2,-0.5 76,-0.1 -0.899 78.0 -24.0-129.5 105.0 4.1 11.9 7.3 100 100 A N T 3 S- 0 0 135 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.944 124.4 -49.9 59.6 55.6 0.7 12.7 5.9 101 101 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.2 73,-0.0 2,-0.1 0.169 117.8 115.8 74.6 -19.3 -0.3 9.1 5.0 102 102 A K E < -H 99 0D 107 -3,-1.0 -3,-1.1 -24,-0.0 2,-0.5 -0.302 64.9-131.0 -77.1 159.9 3.1 8.7 3.3 103 103 A L E +H 98 0D 16 -24,-0.2 -24,-2.7 -5,-0.2 -5,-0.2 -0.979 26.1 172.7-113.0 124.4 5.8 6.3 4.4 104 104 A I + 0 0 11 -7,-2.0 162,-0.5 -2,-0.5 2,-0.3 0.533 59.5 15.1-108.8 -10.2 9.3 8.0 4.6 105 105 A A E -D 265 0A 0 -8,-0.6 160,-0.2 160,-0.2 -1,-0.2 -0.994 67.1-111.1-160.2 157.7 11.4 5.2 6.1 106 106 A Y E -D 264 0A 1 158,-2.4 158,-3.1 -2,-0.3 2,-0.2 -0.872 38.4-128.8 -91.6 121.5 11.8 1.5 7.0 107 107 A P E +D 263 0A 0 0, 0.0 156,-0.2 0, 0.0 3,-0.1 -0.520 34.6 167.4 -69.9 136.2 11.7 0.9 10.8 108 108 A I E + 0 0 5 154,-2.9 195,-2.4 1,-0.4 196,-0.5 0.756 56.8 3.4-114.8 -55.4 14.7 -1.2 12.0 109 109 A A E -DE 262 302A 1 153,-1.5 153,-1.7 193,-0.3 2,-0.5 -0.949 59.7-129.6-139.0 155.3 14.9 -1.0 15.8 110 110 A V E -DE 261 301A 0 191,-2.6 191,-1.1 -2,-0.3 2,-0.5 -0.930 18.5-161.1-111.9 128.8 13.0 0.4 18.8 111 111 A E E +D 260 0A 28 149,-4.3 149,-3.4 -2,-0.5 2,-0.3 -0.931 23.6 146.6-112.1 124.8 14.7 2.5 21.5 112 112 A A - 0 0 0 -2,-0.5 147,-0.1 147,-0.2 468,-0.1 -0.974 46.2-106.8-152.3 144.4 13.2 3.0 24.9 113 113 A L - 0 0 1 145,-0.4 2,-0.3 -2,-0.3 134,-0.2 -0.367 38.3-172.9 -65.7 149.4 14.7 3.4 28.4 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26.2-127.9-136.4 174.8 20.1 2.8 36.8 226 226 A I E +I 115 0E 2 -78,-0.5 -76,-0.4 -2,-0.3 2,-0.3 -0.983 48.5 127.4-127.7 118.5 17.9 3.9 33.9 227 227 A N E -I 114 0E 6 -113,-1.6 -113,-2.2 -2,-0.4 -115,-0.1 -0.959 46.2-111.3-158.8 173.2 19.2 3.3 30.4 228 228 A G > - 0 0 1 -2,-0.3 3,-1.8 -115,-0.2 4,-0.3 -0.465 49.8 -84.4-105.4-178.5 18.7 2.0 26.8 229 229 A P G > S+ 0 0 3 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.742 116.8 76.6 -60.0 -26.7 20.4 -0.9 24.9 230 230 A W G 3 S+ 0 0 78 1,-0.3 4,-0.2 2,-0.1 3,-0.0 0.606 98.6 45.9 -58.8 -13.5 23.3 1.3 23.9 231 231 A A G <> S+ 0 0 1 -3,-1.8 4,-1.1 2,-0.1 3,-0.3 0.506 87.0 90.6-106.1 -9.6 24.6 0.8 27.5 232 232 A W H <> S+ 0 0 30 -3,-1.6 4,-2.0 -4,-0.3 3,-0.1 0.824 81.9 55.7 -58.7 -38.2 24.1 -3.0 27.7 233 233 A S H > S+ 0 0 44 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.884 104.2 52.6 -66.2 -41.2 27.6 -3.9 26.4 234 234 A N H > S+ 0 0 78 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.792 111.4 47.7 -63.1 -30.6 29.4 -1.8 29.0 235 235 A I H X>S+ 0 0 3 -4,-1.1 5,-1.0 2,-0.2 4,-0.9 0.840 110.4 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16.4 3.6 7.4 265 265 A G E -CD 60 105A 0 -205,-2.7 -205,-2.9 -2,-0.7 2,-0.5 -0.764 16.0-135.4 -97.8 140.1 15.3 6.5 5.1 266 266 A I E -C 59 0A 3 -162,-0.5 -189,-3.2 -2,-0.4 -207,-0.2 -0.828 27.1-114.4 -96.6 126.6 16.0 6.6 1.4 267 267 A N B > -F 76 0B 0 -209,-2.5 3,-0.9 -2,-0.5 -191,-0.3 -0.315 11.6-140.2 -58.6 134.5 17.3 9.9 -0.1 268 268 A A T 3 S+ 0 0 36 -193,-2.6 -192,-0.2 1,-0.2 -1,-0.1 0.750 105.1 52.5 -67.4 -25.4 14.9 11.7 -2.5 269 269 A A T 3 S+ 0 0 39 -194,-0.4 -1,-0.2 -214,-0.2 -267,-0.2 0.530 85.9 114.9 -85.8 -9.3 17.9 12.6 -4.7 270 270 A S < - 0 0 2 -3,-0.9 3,-0.4 -212,-0.2 -266,-0.1 -0.380 52.9-160.0 -66.8 136.4 19.0 8.9 -4.8 271 271 A P S S+ 0 0 63 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.373 87.5 64.2 -91.8 3.4 19.0 7.2 -8.2 272 272 A N > + 0 0 11 1,-0.1 4,-2.2 2,-0.1 5,-0.2 -0.107 56.9 131.2-120.2 33.2 19.1 3.8 -6.5 273 273 A K H > S+ 0 0 84 -3,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.862 79.4 43.4 -56.1 -44.0 15.7 3.8 -4.6 274 274 A E H > S+ 0 0 125 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.803 112.5 53.8 -70.9 -32.3 14.7 0.4 -5.9 275 275 A L H > S+ 0 0 46 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.808 111.2 46.0 -71.6 -31.9 18.2 -1.0 -5.2 276 276 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.845 107.7 55.7 -77.7 -37.3 18.0 0.2 -1.6 277 277 A K H X S+ 0 0 31 -4,-1.7 4,-1.7 -5,-0.2 5,-0.2 0.732 106.6 52.3 -70.2 -22.7 14.5 -1.1 -1.0 278 278 A E H X S+ 0 0 81 -4,-0.9 4,-2.2 2,-0.2 5,-0.5 0.898 110.6 46.7 -74.7 -45.2 15.7 -4.6 -2.0 279 279 A F H X>S+ 0 0 0 -4,-1.2 5,-2.6 1,-0.2 4,-0.8 0.875 117.5 43.5 -63.4 -40.5 18.7 -4.5 0.4 280 280 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 3,-0.2 -2,-0.2 0.906 122.0 35.7 -74.1 -43.7 16.4 -3.2 3.2 281 281 A E H <5S+ 0 0 21 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.916 128.7 28.7 -77.9 -46.7 13.5 -5.5 2.7 282 282 A N H <5S+ 0 0 86 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.578 133.6 23.1 -97.2 -12.3 15.1 -8.8 1.6 283 283 A Y T <5S+ 0 0 37 -4,-0.8 3,-0.4 -5,-0.5 6,-0.4 0.745 126.3 32.4-119.7 -55.1 18.5 -8.6 3.3 284 284 A L T S- 0 0 29 -2,-2.6 4,-2.1 -3,-0.4 5,-0.3 -0.838 92.0-103.1-126.8 168.9 15.4 -10.6 8.0 287 287 A D H > S+ 0 0 73 -2,-0.3 4,-1.3 1,-0.2 -1,-0.0 0.881 123.3 47.0 -57.0 -39.3 16.4 -12.8 10.9 288 288 A E H > S+ 0 0 135 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.858 110.8 49.9 -74.3 -38.8 19.9 -13.1 9.5 289 289 A G H > S+ 0 0 0 -6,-0.4 4,-1.3 2,-0.2 3,-0.2 0.948 113.7 43.6 -65.2 -51.4 20.4 -9.3 8.7 290 290 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -6,-0.6 5,-0.2 0.808 107.8 62.9 -64.4 -31.9 19.4 -8.1 12.2 291 291 A E H X S+ 0 0 78 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.922 103.2 47.3 -56.5 -48.9 21.5 -11.0 13.7 292 292 A A H X S+ 0 0 26 -4,-1.5 4,-1.3 -3,-0.2 -1,-0.2 0.847 116.3 43.8 -65.1 -36.8 24.7 -9.6 12.3 293 293 A V H X S+ 0 0 9 -4,-1.3 4,-2.6 -274,-0.2 -2,-0.2 0.906 112.5 51.3 -74.6 -44.2 23.9 -6.0 13.4 294 294 A N H < S+ 0 0 30 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.779 108.8 53.4 -64.0 -29.8 22.7 -7.1 16.9 295 295 A K H < S+ 0 0 164 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.895 111.5 43.9 -69.6 -43.9 25.9 -9.1 17.4 296 296 A D H < S- 0 0 48 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.964 140.7 -3.3 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-1,-0.2 0.801 114.4 39.7 -58.3 -33.2 9.9 -12.9 14.0 307 307 A Y H <> S+ 0 0 17 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.731 109.7 57.6 -91.3 -25.7 13.2 -11.6 15.5 308 308 A E H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.907 102.7 56.2 -67.9 -42.4 11.7 -9.7 18.4 309 309 A E H < S+ 0 0 84 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.804 109.4 47.2 -56.1 -33.8 10.1 -12.9 19.6 310 310 A E H >4 S+ 0 0 100 -4,-0.4 3,-0.7 -5,-0.2 4,-0.3 0.889 113.0 46.9 -75.1 -42.5 13.6 -14.4 19.6 311 311 A L H >< S+ 0 0 33 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.827 101.4 65.6 -67.9 -34.9 15.2 -11.5 21.5 312 312 A A T 3< S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.721 90.3 67.5 -60.1 -23.1 12.3 -11.4 24.1 313 313 A K T < S+ 0 0 148 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.721 71.7 117.1 -69.9 -24.5 13.5 -14.8 25.3 314 314 A D < - 0 0 56 -3,-1.6 -3,-0.0 -4,-0.3 -4,-0.0 -0.238 67.0-137.6 -51.5 124.1 16.8 -13.4 26.6 315 315 A P 0 0 113 0, 0.0 -71,-0.2 0, 0.0 -1,-0.1 0.713 360.0 360.0 -58.6 -26.2 16.9 -13.8 30.5 316 316 A R 0 0 113 -73,-0.1 259,-0.2 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46.6 457 467 A K G < S+ 0 0 48 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.279 105.0 58.4-106.1 8.2 -1.6 8.1 45.3 458 468 A H <> + 0 0 2 -3,-1.6 4,-2.7 1,-0.1 -15,-0.2 0.050 62.9 117.8-124.5 22.4 -3.8 11.2 44.6 459 469 A L T 4 S+ 0 0 50 -3,-0.2 -16,-0.4 1,-0.2 -1,-0.1 0.894 88.7 31.9 -57.8 -43.2 -5.3 11.8 48.1 460 470 A T T 4 S+ 0 0 133 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.772 125.2 44.9 -83.8 -28.3 -3.7 15.3 48.4 461 471 A D T 4 S- 0 0 60 1,-0.1 -2,-0.2 -4,-0.1 -1,-0.1 0.789 92.2-146.3 -87.4 -33.5 -3.9 16.1 44.6 462 472 A G < - 0 0 0 -4,-2.7 2,-0.3 -7,-0.1 -20,-0.2 -0.163 16.8-105.4 77.6 175.1 -7.4 15.0 43.7 463 473 A M E -T 441 0K 0 -22,-1.9 -22,-2.8 -4,-0.1 2,-0.1 -1.000 17.4-123.5-141.7 138.9 -8.2 13.6 40.3 464 474 A T E > -T 440 0K 17 -2,-0.3 4,-2.3 -24,-0.3 -24,-0.2 -0.406 32.3-111.9 -71.9 157.4 -9.9 15.0 37.2 465 475 A V H > S+ 0 0 0 -26,-1.5 4,-2.5 -29,-0.4 5,-0.2 0.878 121.0 54.7 -55.5 -40.7 -12.9 13.1 35.8 466 476 A R H > S+ 0 0 112 -29,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.912 108.9 46.3 -59.5 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-11.9 0.5 42.1 479 489 A T H > S+ 0 0 0 -30,-0.3 4,-2.5 1,-0.2 5,-0.2 0.878 106.9 58.4 -61.6 -37.9 -12.1 3.7 44.1 480 490 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 104.4 50.3 -55.2 -47.2 -12.0 5.6 40.8 481 491 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.890 110.3 49.9 -59.4 -42.9 -15.2 3.8 39.6 482 492 A N H X S+ 0 0 22 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.926 109.6 50.4 -60.7 -45.8 -16.9 4.6 42.9 483 493 A L H X S+ 0 0 18 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.863 112.6 47.2 -62.4 -35.7 -16.1 8.3 42.6 484 494 A L H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.2 3,-0.4 0.898 108.4 55.0 -72.0 -40.6 -17.4 8.3 39.1 485 495 A L H X>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 4,-1.1 0.889 103.8 55.8 -55.5 -43.2 -20.6 6.5 40.2 486 496 A T H <5S+ 0 0 92 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.835 102.9 56.4 -58.3 -35.6 -21.1 9.3 42.8 487 497 A T H <5S+ 0 0 26 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.883 112.1 39.2 -68.0 -39.2 -21.1 11.9 40.0 488 498 A I H <5S- 0 0 20 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.559 127.2 -93.7 -88.1 -10.9 -23.9 10.3 37.9 489 499 A G T <5 - 0 0 42 -4,-1.1 3,-0.2 -5,-0.2 -3,-0.2 0.465 66.2 -78.6 113.3 4.9 -25.9 9.4 41.0 490 500 A G S >> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 17,-0.4 0.769 130.7 55.9 -50.7 -38.5 -25.6 2.3 40.5 492 502 A K H 3> S+ 0 0 138 -3,-0.2 4,-2.6 2,-0.2 -2,-0.1 0.806 107.2 50.5 -66.1 -31.9 -29.4 2.9 40.0 493 503 A E H <> S+ 0 0 100 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.879 110.1 48.3 -73.9 -39.5 -28.6 5.9 37.8 494 504 A L H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.913 114.6 47.0 -62.2 -42.4 -26.2 3.8 35.7 495 505 A T H X S+ 0 0 22 -4,-2.4 4,-2.2 13,-0.3 -2,-0.2 0.929 112.2 49.8 -64.0 -45.0 -28.9 1.1 35.5 496 506 A A H X S+ 0 0 34 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.876 108.8 53.6 -58.0 -39.2 -31.5 3.8 34.6 497 507 A F H X S+ 0 0 45 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.884 109.9 46.6 -64.4 -40.4 -29.1 5.1 31.9 498 508 A L H <>S+ 0 0 2 -4,-1.9 5,-3.0 2,-0.2 3,-0.5 0.880 111.0 50.8 -70.2 -41.1 -28.8 1.7 30.3 499 509 A H H ><5S+ 0 0 70 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.836 106.4 56.9 -64.8 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-26.7 -2.9 42.1 510 520 A R - 0 0 32 -19,-0.1 2,-0.2 -20,-0.1 -1,-0.1 -0.691 68.1-124.5-122.3 168.0 -23.6 -2.5 44.2 511 521 A W > - 0 0 93 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.432 55.5 -39.7 -97.9 175.9 -20.5 -0.4 44.6 512 522 A E T 4 S+ 0 0 3 1,-0.3 -1,-0.1 -34,-0.2 0, 0.0 -0.643 119.8 11.1 -76.9 141.6 -16.8 -1.5 44.6 513 523 A P T >4 S+ 0 0 38 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -0.994 122.4 59.3 -95.7 1.2 -15.6 -3.8 45.9 514 524 A E G >4 S+ 0 0 88 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.756 94.2 67.0 -62.2 -28.7 -18.9 -5.6 46.7 515 525 A L G 3< S+ 0 0 2 -4,-2.1 -100,-0.4 1,-0.2 -1,-0.3 0.627 95.5 61.0 -65.8 -12.9 -20.0 -5.8 43.1 516 526 A N G < S+ 0 0 34 -3,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.538 74.2 92.4 -89.1 -11.4 -17.1 -8.2 42.5 517 527 A E < - 0 0 122 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.1 0.835 65.2-163.4 -64.0 -38.0 -18.0 -11.0 44.9 518 528 A A - 0 0 25 -4,-0.3 -175,-0.1 -3,-0.2 3,-0.1 0.950 0.9-161.7 55.7 63.7 -20.0 -13.1 42.3 519 529 A I > - 0 0 91 1,-0.1 3,-2.5 2,-0.0 -1,-0.1 -0.560 42.1 -85.4 -66.7 135.1 -22.0 -15.5 44.4 520 530 A P T 3 S- 0 0 121 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.257 111.5 -2.8 -48.4 121.2 -23.2 -18.4 42.2 521 531 A N T 3 S+ 0 0 159 1,-0.3 2,-0.6 -110,-0.1 -2,-0.0 0.501 88.2 148.8 69.2 10.0 -26.4 -17.4 40.4 522 532 A D < - 0 0 25 -3,-2.5 -1,-0.3 1,-0.1 -4,-0.0 -0.656 35.7-157.8 -70.0 118.1 -26.6 -14.0 42.2 523 533 A E > + 0 0 92 -2,-0.6 3,-0.9 -3,-0.1 -1,-0.1 0.523 55.3 112.3 -79.6 -6.2 -28.3 -11.7 39.5 524 534 A R T 3 S+ 0 0 92 1,-0.2 -6,-0.1 -16,-0.1 -16,-0.1 -0.448 84.9 7.6 -69.5 138.2 -26.9 -8.5 41.0 525 535 A D T 3 S+ 0 0 0 1,-0.2 -111,-2.3 -2,-0.1 -110,-0.5 0.856 102.4 138.4 62.7 38.9 -24.3 -6.6 38.9 526 536 A T E < +S 413 0J 2 -3,-0.9 -19,-2.3 -19,-0.3 2,-0.3 -0.722 29.7 175.5-115.6 161.9 -24.9 -8.9 36.0 527 537 A T E -S 412 0J 0 -115,-2.0 -115,-2.7 -2,-0.2 3,-0.1 -0.895 30.2-112.5-145.5 174.3 -25.2 -8.7 32.2 528 538 A M > - 0 0 36 -2,-0.3 4,-2.9 -117,-0.2 5,-0.3 -0.894 26.9-122.5-105.9 147.2 -25.5 -11.0 29.2 529 539 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.935 117.2 46.6 -49.8 -46.6 -22.7 -11.3 26.6 530 540 A V H > S+ 0 0 27 -122,-2.0 4,-1.8 2,-0.2 5,-0.2 0.840 112.0 50.4 -65.1 -35.8 -25.2 -10.2 23.9 531 541 A A H > S+ 0 0 11 -123,-0.4 4,-2.5 2,-0.2 5,-0.2 0.958 112.4 46.4 -65.3 -51.7 -26.6 -7.4 26.1 532 542 A M H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.901 113.2 48.3 -56.9 -48.6 -23.1 -6.0 26.8 533 543 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.878 113.2 47.5 -62.5 -39.5 -21.9 -6.2 23.1 534 544 A T H X S+ 0 0 53 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.907 113.5 47.8 -69.4 -42.0 -25.1 -4.5 21.8 535 545 A T H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.922 110.1 52.0 -63.2 -46.7 -24.8 -1.7 24.5 536 546 A L H X S+ 0 0 2 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.853 109.6 52.2 -54.5 -37.3 -21.1 -1.2 23.6 537 547 A R H X S+ 0 0 63 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.877 105.8 51.4 -70.2 -40.3 -22.2 -0.9 20.0 538 548 A K H < S+ 0 0 77 -4,-2.0 6,-0.5 1,-0.2 7,-0.2 0.829 112.0 48.8 -64.4 -33.3 -24.8 1.8 20.6 539 549 A L H < S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.743 115.7 42.8 -75.3 -25.9 -22.2 3.7 22.5 540 550 A L H < S+ 0 0 4 -4,-1.0 2,-0.3 -5,-0.2 -2,-0.2 0.456 119.2 36.9-105.6 -4.3 -19.6 3.4 19.7 541 551 A T S >< S+ 0 0 26 -4,-1.1 3,-0.7 -5,-0.1 4,-0.3 -0.816 97.1 27.0-133.6 177.4 -21.9 4.0 16.7 542 552 A G T 3 S- 0 0 48 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 -0.330 104.5 -57.2 70.0-148.5 -24.9 6.3 15.9 543 553 A E T 3 S+ 0 0 193 1,-0.1 -1,-0.2 -2,-0.0 -4,-0.1 0.061 98.0 108.3-122.8 21.3 -25.4 9.6 17.6 544 554 A L S < S+ 0 0 83 -3,-0.7 2,-0.3 -6,-0.5 -5,-0.1 0.866 91.0 22.0 -70.5 -38.6 -25.5 8.5 21.3 545 555 A L S S- 0 0 6 -4,-0.3 -117,-0.1 -7,-0.2 2,-0.1 -0.896 93.0-105.9-118.8 157.7 -22.2 10.1 21.9 546 556 A T > - 0 0 67 -2,-0.3 4,-3.0 -119,-0.2 5,-0.2 -0.381 37.5-104.6 -71.0 161.2 -20.4 12.9 20.0 547 557 A L H > S+ 0 0 141 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.897 122.6 50.4 -51.4 -47.3 -17.5 11.9 17.8 548 558 A A H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 113.2 44.9 -61.7 -42.2 -15.0 13.4 20.3 549 559 A S H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.883 112.5 51.9 -70.4 -39.8 -16.6 11.4 23.2 550 560 A R H X S+ 0 0 66 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.963 110.3 48.6 -57.6 -52.1 -16.7 8.2 21.1 551 561 A Q H X S+ 0 0 93 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.853 111.5 50.2 -58.1 -38.3 -13.1 8.6 20.2 552 562 A Q H X S+ 0 0 42 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.891 110.2 48.7 -69.3 -40.9 -12.2 9.1 23.9 553 563 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.918 112.9 49.5 -62.1 -43.7 -14.1 6.0 25.0 554 564 A I H X S+ 0 0 22 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.896 109.5 51.9 -58.0 -43.3 -12.4 4.1 22.2 555 565 A D H X S+ 0 0 79 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.819 109.4 48.5 -68.7 -34.6 -9.0 5.4 23.4 556 566 A W H X S+ 0 0 13 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.923 113.3 47.6 -65.9 -46.2 -9.6 4.4 27.0 557 567 A M H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.855 107.1 57.9 -62.9 -37.4 -10.6 0.9 25.9 558 568 A E H X S+ 0 0 52 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.908 106.9 46.3 -59.7 -47.3 -7.6 0.6 23.6 559 569 A A H X S+ 0 0 48 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.842 113.1 51.6 -64.1 -35.2 -5.2 1.1 26.5 560 570 A D H X S+ 0 0 36 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.924 110.3 47.4 -64.4 -48.5 -7.2 -1.4 28.5 561 571 A K H < S+ 0 0 7 -4,-2.8 6,-0.6 2,-0.2 -2,-0.2 0.874 113.8 48.0 -62.0 -41.1 -7.0 -4.0 25.7 562 572 A V H < S+ 0 0 51 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.918 114.3 45.4 -65.2 -46.0 -3.2 -3.5 25.3 563 573 A A H < S+ 0 0 51 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.725 108.7 76.5 -69.5 -21.9 -2.6 -3.7 29.0 564 574 A G S < S- 0 0 11 -4,-1.5 3,-0.4 -5,-0.1 4,-0.1 -0.044 93.3-101.5 -85.1-174.2 -4.8 -6.8 29.2 565 575 A P S >> S+ 0 0 2 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.672 95.2 87.8 -82.3 -20.9 -4.4 -10.5 28.2 566 576 A L T 34 S+ 0 0 3 1,-0.3 4,-0.1 2,-0.1 -4,-0.1 0.763 99.7 31.4 -55.3 -33.0 -6.3 -10.6 24.9 567 577 A L T 3> S+ 0 0 30 -6,-0.6 4,-2.6 -3,-0.4 -1,-0.3 0.362 93.3 96.0-108.0 1.9 -3.4 -9.6 22.7 568 578 A R T <4 S+ 0 0 119 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.937 93.0 32.1 -63.6 -53.7 -0.5 -11.2 24.7 569 579 A S T < S+ 0 0 63 -4,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.691 120.5 55.0 -78.0 -19.2 -0.1 -14.5 22.9 570 580 A A T 4 S+ 0 0 27 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.1 0.944 129.0 6.3 -78.5 -53.2 -1.1 -12.9 19.6 571 581 A L < 0 0 57 -4,-2.6 -1,-0.2 1,-0.1 -2,-0.1 -0.691 360.0 360.0-134.6 82.1 1.4 -10.1 19.4 572 582 A P 0 0 68 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.345 360.0 360.0 -69.7 360.0 3.9 -10.3 22.3 573 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 574 585 A S > 0 0 39 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 150.5 10.8 -7.8 26.0 575 586 A A H > + 0 0 20 -259,-0.2 4,-1.8 2,-0.2 -328,-0.2 0.907 360.0 46.3 -69.3 -43.1 11.7 -5.1 28.6 576 587 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 115.3 47.6 -62.4 -45.3 12.5 -2.5 26.0 577 588 A M H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.873 110.8 49.6 -66.1 -42.1 9.3 -3.2 24.0 578 589 A E H X S+ 0 0 97 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.852 112.0 48.2 -69.9 -36.4 7.0 -3.2 27.1 579 590 A N H < S+ 0 0 2 -4,-1.8 3,-0.4 1,-0.2 4,-0.3 0.860 112.6 50.2 -66.1 -37.3 8.4 0.1 28.3 580 591 A A H < S+ 0 0 7 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.824 103.7 59.0 -67.8 -33.9 7.9 1.4 24.7 581 592 A Q H < S+ 0 0 92 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.725 113.8 37.0 -70.4 -24.9 4.3 0.2 24.6 582 593 A K S < S+ 0 0 85 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.380 111.1 83.5-103.6 -1.3 3.4 2.3 27.6 583 594 A G S S- 0 0 19 -3,-0.5 2,-0.5 -4,-0.3 -325,-0.2 0.038 84.7 -86.7 -91.6-163.5 5.7 5.2 26.5 584 595 A E E -o 258 0H 17 -327,-3.1 -325,-2.5 -328,-0.1 2,-0.4 -0.950 29.4-127.1-116.6 122.6 5.4 8.2 24.2 585 596 A I E -o 259 0H 56 -2,-0.5 -325,-0.1 -327,-0.2 -327,-0.1 -0.550 40.0-112.4 -63.9 120.1 6.2 8.1 20.5 586 597 A M - 0 0 11 -327,-1.6 -325,-0.1 -2,-0.4 -1,-0.1 -0.418 33.4-111.9 -62.2 119.9 8.7 10.9 20.0 587 598 A P - 0 0 0 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.281 17.8-139.6 -56.1 133.6 7.1 13.7 17.9 588 599 A N + 0 0 16 -520,-0.1 -412,-0.1 -521,-0.1 -522,-0.1 -0.429 62.4 109.2 -95.8 57.5 8.7 14.1 14.4 589 600 A I S > S- 0 0 24 -2,-0.9 3,-1.7 -521,-0.1 4,-0.1 -0.964 73.1-127.4-132.4 148.0 8.8 17.9 14.2 590 601 A P T > S+ 0 0 76 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.671 104.7 76.9 -64.4 -17.9 11.5 20.6 14.4 591 602 A Q T >> S+ 0 0 76 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.655 75.5 78.9 -64.2 -16.5 9.5 22.3 17.1 592 603 A M H <> S+ 0 0 6 -3,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.727 80.0 67.1 -62.8 -25.1 10.9 19.5 19.3 593 604 A S H <> S+ 0 0 73 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.891 99.3 49.4 -62.0 -41.2 14.2 21.5 19.5 594 605 A A H <> S+ 0 0 35 -3,-0.6 4,-1.9 -4,-0.4 -1,-0.2 0.824 110.2 53.0 -65.6 -33.4 12.3 24.1 21.5 595 606 A F H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 5,-0.3 0.957 109.3 46.7 -63.1 -53.7 11.0 21.3 23.7 596 607 A W H X S+ 0 0 50 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.889 114.1 48.3 -58.5 -44.1 14.6 20.0 24.4 597 608 A Y H X S+ 0 0 162 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.973 116.4 40.0 -58.9 -58.8 16.0 23.4 25.2 598 609 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.862 114.8 50.0 -63.8 -42.7 13.2 24.6 27.6 599 610 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.879 108.9 52.1 -68.4 -39.1 12.7 21.3 29.5 600 611 A R H X S+ 0 0 81 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.912 112.2 46.8 -60.4 -44.1 16.5 20.8 30.1 601 612 A T H X S+ 0 0 47 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.899 110.7 53.2 -62.9 -43.1 16.5 24.4 31.6 602 613 A A H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.895 110.7 45.7 -59.8 -43.4 13.4 23.7 33.6 603 614 A V H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.898 113.6 46.9 -72.1 -42.7 14.9 20.5 35.3 604 615 A I H X S+ 0 0 69 -4,-2.0 4,-1.6 2,-0.2 6,-0.3 0.845 115.0 48.5 -67.3 -33.6 18.3 22.0 36.1 605 616 A N H X>S+ 0 0 33 -4,-2.0 6,-1.8 -5,-0.2 5,-1.2 0.867 115.0 43.0 -72.1 -39.7 16.6 25.1 37.6 606 617 A A H <5S+ 0 0 4 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.826 114.1 52.3 -74.5 -33.5 14.1 23.1 39.7 607 618 A A H <5S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.880 113.1 43.6 -67.2 -40.4 16.9 20.7 40.7 608 619 A S H <5S- 0 0 62 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.721 110.6-118.1 -77.9 -24.0 19.1 23.5 41.9 609 620 A G T <5S+ 0 0 61 -4,-1.1 -3,-0.2 2,-0.3 -4,-0.1 0.515 80.0 125.1 90.2 8.2 16.4 25.4 43.7 610 621 A R S - 0 0 76 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.441 37.9-106.9 -75.7 162.7 10.3 26.3 42.1 613 624 A V H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.900 118.1 52.0 -58.1 -44.1 8.8 23.4 40.1 614 625 A D H > S+ 0 0 81 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.930 115.1 39.0 -60.2 -49.8 5.7 25.4 39.2 615 626 A E H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.823 111.6 58.3 -73.9 -31.9 7.5 28.4 37.7 616 627 A A H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.897 112.9 39.0 -62.8 -42.0 10.2 26.3 36.1 617 628 A L H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.740 112.1 56.6 -83.3 -25.3 7.7 24.4 34.0 618 629 A K H X S+ 0 0 98 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.926 109.1 47.7 -65.2 -45.7 5.5 27.4 33.4 619 630 A D H X S+ 0 0 50 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.845 111.4 51.0 -61.0 -38.0 8.6 29.1 31.9 620 631 A A H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.925 109.7 49.6 -65.3 -45.8 9.3 26.0 29.8 621 632 A Q H X S+ 0 0 31 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.900 109.8 51.2 -58.8 -45.6 5.7 25.9 28.5 622 633 A T H < S+ 0 0 57 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.900 108.3 53.4 -58.5 -43.0 5.9 29.6 27.5 623 634 A R H < S+ 0 0 131 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.853 109.1 47.8 -61.7 -39.3 9.2 28.9 25.6 624 635 A I H < S+ 0 0 17 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.957 113.9 42.9 -68.0 -53.0 7.7 26.1 23.5 625 636 A T < 0 0 43 -4,-1.9 -1,-0.2 -446,-0.1 -2,-0.2 0.301 360.0 360.0 -83.0 9.5 4.5 27.8 22.3 626 637 A K 0 0 216 -3,-0.5 -3,-0.0 -4,-0.3 -4,-0.0 -0.614 360.0 360.0 -76.7 360.0 6.2 31.1 21.6