==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN,SIGNALING PROTEIN 30-JUN-08 3DM0 . COMPND 2 MOLECULE: MALTOSE-BINDING PERIPLASMIC PROTEIN FUSED WITH . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, ARABIDOPSIS . AUTHOR H.ULLAH,E.L.SCAPPINI,A.F.MOON,L.V.WILLIAMS,D.L.ARMSTRONG, . 675 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 183 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 2 0.3 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 . 59 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 0 0 4 1 0 1 5 0 1 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 1 7 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 8 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 0 106 0, 0.0 55,-0.2 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0-160.7 44.7 1.6 52.5 2 2 A I - 0 0 46 53,-0.1 270,-0.1 268,-0.1 52,-0.0 0.907 360.0-142.5 -83.3 -47.5 43.0 3.0 55.6 3 3 A E > - 0 0 92 1,-0.2 3,-1.2 267,-0.1 2,-0.6 0.933 18.3-167.5 80.7 54.5 44.4 0.6 58.3 4 4 A E T 3 S+ 0 0 161 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 -0.624 71.1 35.0 -75.8 114.8 41.3 0.2 60.5 5 5 A G T 3 S+ 0 0 39 -2,-0.6 29,-0.3 1,-0.5 2,-0.2 0.173 110.1 57.3 128.9 -17.8 42.4 -1.4 63.8 6 6 A K S < S- 0 0 28 -3,-1.2 -1,-0.5 27,-0.1 2,-0.5 -0.784 74.3-118.7-133.1 176.5 45.9 -0.0 64.3 7 7 A L E -a 35 0A 0 27,-2.3 29,-3.0 -2,-0.2 2,-0.6 -0.919 17.2-168.3-128.3 109.4 47.5 3.4 64.7 8 8 A V E -a 36 0A 8 -2,-0.5 50,-2.9 27,-0.2 51,-1.8 -0.850 15.8-172.0 -96.2 120.1 50.2 4.7 62.3 9 9 A I E -ab 37 59A 0 27,-3.6 29,-2.8 -2,-0.6 2,-0.4 -0.890 11.4-157.3-116.3 143.1 51.9 7.8 63.6 10 10 A W E +ab 38 60A 25 49,-2.2 51,-2.7 -2,-0.4 2,-0.3 -0.976 19.5 160.5-122.6 127.5 54.3 10.2 61.9 11 11 A I - 0 0 5 27,-1.8 51,-0.1 -2,-0.4 32,-0.1 -0.968 42.4 -89.1-141.8 153.8 56.8 12.5 63.7 12 12 A N > - 0 0 34 -2,-0.3 3,-2.1 1,-0.1 5,-0.2 -0.282 31.6-118.7 -68.0 147.8 60.0 14.2 62.7 13 13 A G T 3 S+ 0 0 40 27,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.682 110.2 60.3 -57.1 -22.6 63.4 12.6 63.0 14 14 A D T 3 S+ 0 0 47 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.456 94.3 82.8 -86.7 -1.1 64.7 15.3 65.4 15 15 A K S < S- 0 0 26 -3,-2.1 2,-2.7 1,-0.0 3,-0.2 -0.638 97.5 -94.2-102.6 161.8 62.0 14.4 68.0 16 16 A G > + 0 0 1 281,-0.4 4,-1.9 -2,-0.2 280,-0.2 -0.367 55.6 157.4 -72.0 68.7 61.9 11.7 70.6 17 17 A Y H > S+ 0 0 64 -2,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.686 71.2 58.8 -67.5 -17.7 60.0 9.2 68.5 18 18 A N H > S+ 0 0 88 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.972 105.0 47.2 -73.6 -54.6 61.4 6.4 70.7 19 19 A G H > S+ 0 0 6 1,-0.3 4,-1.9 274,-0.2 -2,-0.2 0.894 113.6 49.7 -50.3 -42.1 59.9 7.8 73.8 20 20 A L H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 -1,-0.3 0.923 104.5 58.5 -63.3 -42.3 56.6 8.3 71.9 21 21 A A H X S+ 0 0 28 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.892 102.7 54.3 -53.3 -40.8 56.9 4.7 70.8 22 22 A E H >X S+ 0 0 91 -4,-2.1 4,-2.3 1,-0.2 3,-0.9 0.985 105.7 50.8 -56.2 -58.3 56.9 3.7 74.4 23 23 A V H 3X S+ 0 0 9 -4,-1.9 4,-1.7 1,-0.3 -1,-0.2 0.854 109.0 54.2 -46.3 -38.3 53.7 5.6 74.9 24 24 A G H 3X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.890 106.3 50.2 -65.6 -39.3 52.5 3.6 71.9 25 25 A K H - 0 0 29 0, 0.0 3,-0.8 0, 0.0 2,-0.5 -0.007 34.8 -96.6 -56.5 163.1 59.8 9.6 57.1 41 41 A D T 3 S+ 0 0 126 1,-0.3 5,-0.1 2,-0.1 -29,-0.0 -0.742 108.3 3.7 -86.2 129.8 62.0 12.3 55.5 42 42 A K T >> S+ 0 0 129 -2,-0.5 4,-2.0 1,-0.1 3,-1.5 0.920 78.7 167.4 63.7 42.0 60.0 15.4 54.7 43 43 A L H <> + 0 0 0 -3,-0.8 4,-2.2 1,-0.3 -2,-0.1 0.791 69.2 64.3 -59.1 -28.0 57.0 13.9 56.4 44 44 A E H 34 S+ 0 0 36 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.765 108.5 39.0 -68.2 -25.8 55.4 17.4 56.2 45 45 A E H <> S+ 0 0 45 -3,-1.5 4,-0.8 2,-0.1 -2,-0.2 0.805 114.7 51.1 -93.0 -34.5 55.3 17.3 52.4 46 46 A K H X S+ 0 0 89 -4,-2.0 4,-2.6 2,-0.2 3,-0.5 0.902 101.0 65.7 -69.1 -38.2 54.4 13.7 51.9 47 47 A F H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.3 5,-0.4 0.943 100.0 46.4 -49.4 -61.9 51.5 14.0 54.3 48 48 A P H > S+ 0 0 38 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.824 116.3 50.8 -52.8 -28.2 49.4 16.4 52.2 49 49 A Q H >X S+ 0 0 129 -4,-0.8 4,-1.0 -3,-0.5 3,-0.8 0.995 117.1 33.2 -70.9 -67.5 50.2 14.1 49.3 50 50 A V H ><>S+ 0 0 42 -4,-2.6 5,-2.2 1,-0.2 3,-0.6 0.881 115.6 57.9 -57.5 -42.4 49.2 10.8 50.7 51 51 A A H ><5S+ 0 0 7 -4,-3.2 3,-0.7 -5,-0.4 -1,-0.2 0.799 99.8 61.2 -59.7 -29.0 46.3 12.2 52.8 52 52 A A H <<5S+ 0 0 72 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.892 105.2 44.8 -65.6 -41.3 44.8 13.6 49.6 53 53 A T T <<5S- 0 0 104 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.422 126.4-101.1 -83.5 1.8 44.5 10.1 48.1 54 54 A G T < 5S+ 0 0 32 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.435 92.3 103.0 94.3 -1.4 43.1 8.8 51.4 55 55 A D < + 0 0 63 -5,-2.2 -1,-0.3 -6,-0.2 214,-0.2 -0.149 37.2 87.3 -96.1-163.3 46.3 7.2 52.6 56 56 A G S S- 0 0 17 -55,-0.2 -48,-0.1 -3,-0.1 -9,-0.0 -0.460 79.7 -41.3 102.1-177.1 48.9 8.4 55.1 57 57 A P - 0 0 2 0, 0.0 -48,-0.2 0, 0.0 213,-0.2 -0.256 42.7-125.3 -80.6 171.8 49.2 8.0 58.9 58 58 A D S S+ 0 0 2 -50,-2.9 209,-3.0 1,-0.3 2,-0.4 0.847 99.3 28.7 -82.6 -36.9 46.3 8.2 61.4 59 59 A I E S-bC 9 266A 0 -51,-1.8 -49,-2.2 207,-0.2 2,-0.4 -0.986 70.3-165.6-128.5 133.9 48.2 10.9 63.3 60 60 A I E -bC 10 265A 0 205,-2.2 205,-2.4 -2,-0.4 2,-0.4 -0.965 6.2-154.1-122.0 137.1 50.8 13.4 62.1 61 61 A F E + C 0 264A 4 -51,-2.7 2,-0.3 -2,-0.4 203,-0.2 -0.865 33.2 121.7-109.9 142.5 53.2 15.5 64.2 62 62 A W E - C 0 263A 48 201,-1.6 201,-3.0 -2,-0.4 2,-0.1 -0.942 66.2 -67.1 179.5 167.2 54.7 18.8 63.2 63 63 A A E > - C 0 262A 14 -2,-0.3 3,-1.4 199,-0.3 4,-0.3 -0.399 55.1-111.9 -65.7 151.1 54.9 22.4 64.4 64 64 A H G >> S+ 0 0 2 197,-1.6 3,-2.6 1,-0.3 4,-0.5 0.821 102.8 84.0 -56.2 -34.5 51.5 24.1 64.2 65 65 A D G 34 S+ 0 0 11 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.652 91.7 49.2 -45.8 -21.5 52.4 26.5 61.4 66 66 A R G <> S+ 0 0 38 -3,-1.4 4,-1.1 1,-0.1 -1,-0.3 0.576 90.3 78.1 -98.8 -8.5 51.7 23.8 58.8 67 67 A F H <> S+ 0 0 1 -3,-2.6 4,-2.8 -4,-0.3 5,-0.2 0.766 80.9 66.3 -73.7 -25.0 48.3 22.6 59.9 68 68 A G H X S+ 0 0 0 -4,-0.5 4,-2.4 264,-0.4 -1,-0.2 0.924 103.3 48.6 -61.0 -42.1 46.3 25.5 58.5 69 69 A G H > S+ 0 0 21 264,-0.3 4,-1.4 -4,-0.2 -1,-0.2 0.877 112.0 47.9 -64.6 -39.5 47.3 24.3 55.0 70 70 A Y H <>S+ 0 0 3 -4,-1.1 5,-2.6 2,-0.2 6,-0.4 0.947 112.0 48.7 -65.9 -50.3 46.3 20.7 55.7 71 71 A A H ><5S+ 0 0 20 -4,-2.8 3,-2.8 1,-0.2 5,-0.2 0.939 107.5 56.0 -53.2 -50.5 43.0 21.7 57.2 72 72 A Q H 3<5S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 107.7 48.8 -51.0 -39.5 42.2 23.9 54.2 73 73 A S T 3<5S- 0 0 82 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.152 118.5-115.1 -88.4 18.4 42.7 20.9 52.0 74 74 A G T < 5S+ 0 0 49 -3,-2.8 -3,-0.2 1,-0.1 -2,-0.1 0.747 78.1 129.6 55.1 29.3 40.4 18.9 54.2 75 75 A L < + 0 0 13 -5,-2.6 193,-2.4 -6,-0.1 2,-0.4 0.523 56.4 71.4 -90.3 -2.8 43.2 16.5 55.2 76 76 A L B S-F 267 0B 20 -6,-0.4 2,-0.2 191,-0.3 191,-0.2 -0.940 72.6-135.4-123.2 134.7 42.4 16.9 59.0 77 77 A A - 0 0 14 189,-2.6 189,-0.5 -2,-0.4 2,-0.2 -0.572 36.6-107.9 -78.9 142.0 39.6 15.7 61.1 78 78 A E - 0 0 89 -2,-0.2 2,-0.4 187,-0.1 26,-0.2 -0.518 32.7-140.1 -71.7 135.4 38.2 18.3 63.5 79 79 A I - 0 0 2 24,-2.7 24,-0.4 -2,-0.2 26,-0.1 -0.781 19.1-176.4-100.7 144.2 39.1 17.6 67.1 80 80 A T - 0 0 96 -2,-0.4 2,-0.1 22,-0.1 3,-0.1 -0.627 5.1-176.5-140.3 79.4 36.7 18.1 70.0 81 81 A P - 0 0 9 0, 0.0 -2,-0.0 0, 0.0 196,-0.0 -0.425 36.3 -99.0 -76.6 153.2 38.0 17.5 73.5 82 82 A A > - 0 0 63 1,-0.1 4,-2.4 -2,-0.1 3,-0.3 -0.300 35.5-109.7 -64.7 153.3 35.7 17.8 76.6 83 83 A A H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.863 120.1 59.5 -54.0 -35.7 35.9 21.1 78.4 84 84 A A H > S+ 0 0 64 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.947 107.4 44.4 -58.9 -48.8 37.6 19.2 81.2 85 85 A F H >> S+ 0 0 11 -3,-0.3 3,-1.9 1,-0.2 4,-0.6 0.950 109.4 56.3 -61.0 -50.4 40.4 18.1 78.9 86 86 A Q H >< S+ 0 0 62 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.858 99.5 58.9 -49.6 -43.9 40.8 21.5 77.4 87 87 A D H 3< S+ 0 0 110 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.742 93.8 68.4 -60.8 -22.1 41.4 23.2 80.7 88 88 A K H << S+ 0 0 102 -3,-1.9 217,-2.4 -4,-0.7 218,-0.3 0.808 98.6 58.1 -65.7 -31.2 44.4 20.8 81.2 89 89 A L B << S-G 304 0C 1 -3,-1.5 215,-0.2 -4,-0.6 214,-0.1 -0.720 100.4 -96.1-101.2 151.6 46.2 22.7 78.3 90 90 A Y >> - 0 0 71 213,-1.5 3,-1.3 -2,-0.3 4,-1.2 -0.411 30.3-128.5 -64.4 136.1 47.1 26.4 78.2 91 91 A P H 3> S+ 0 0 89 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.884 107.9 57.7 -54.1 -40.3 44.5 28.4 76.2 92 92 A F H 3> S+ 0 0 89 1,-0.3 4,-1.3 2,-0.2 -2,-0.1 0.792 100.9 56.8 -63.3 -26.2 47.2 30.0 74.0 93 93 A T H <> S+ 0 0 0 -3,-1.3 4,-0.6 1,-0.2 -1,-0.3 0.852 105.2 51.6 -74.4 -30.8 48.3 26.5 73.0 94 94 A W H >< S+ 0 0 8 -4,-1.2 3,-1.2 -3,-0.5 -2,-0.2 0.904 104.1 57.2 -69.3 -39.0 44.8 25.8 71.7 95 95 A D H >< S+ 0 0 97 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.871 97.5 62.9 -57.9 -37.0 44.8 29.0 69.7 96 96 A A H 3< S+ 0 0 8 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.800 109.9 39.6 -58.7 -29.9 47.9 27.8 67.9 97 97 A V T << S+ 0 0 1 -3,-1.2 7,-2.6 -4,-0.6 2,-0.6 0.009 91.0 108.2-110.2 27.3 45.9 24.9 66.5 98 98 A R E < +H 103 0D 82 -3,-1.9 2,-0.5 5,-0.2 5,-0.2 -0.913 42.3 178.4-110.8 116.4 42.7 26.8 65.8 99 99 A Y E > -H 102 0D 32 3,-2.8 3,-1.7 -2,-0.6 -3,-0.0 -0.958 69.7 -10.3-122.5 123.0 41.9 27.4 62.1 100 100 A N T 3 S- 0 0 130 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.904 132.0 -53.8 58.2 40.0 38.8 29.2 60.9 101 101 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.287 117.9 108.3 80.7 -9.7 37.5 28.9 64.4 102 102 A K E < S-H 99 0D 107 -3,-1.7 -3,-2.8 -22,-0.0 2,-0.7 -0.757 71.6-118.7-108.3 150.5 38.0 25.1 64.7 103 103 A L E +H 98 0D 12 -24,-0.4 -24,-2.7 -2,-0.3 -5,-0.2 -0.713 32.0 174.2 -81.5 116.3 40.5 23.0 66.6 104 104 A I + 0 0 10 -7,-2.6 162,-0.3 -2,-0.7 2,-0.3 0.323 59.6 0.6-107.3 7.4 42.4 21.0 64.1 105 105 A A S S- 0 0 0 -8,-0.4 160,-0.2 160,-0.2 -1,-0.2 -0.964 74.7 -92.2-178.7 166.8 45.0 19.3 66.3 106 106 A Y E -D 264 0A 0 158,-2.8 158,-2.7 -2,-0.3 2,-0.2 -0.841 38.7-132.4 -97.1 126.7 46.2 18.7 69.8 107 107 A P E +D 263 0A 0 0, 0.0 156,-0.2 0, 0.0 155,-0.1 -0.530 27.7 175.0 -75.9 145.1 49.0 21.1 70.9 108 108 A I E - 0 0 3 154,-3.3 195,-2.9 1,-0.3 196,-0.5 0.774 51.9 -11.5-116.2 -57.5 52.0 19.4 72.6 109 109 A A E -DE 262 302A 0 153,-0.9 153,-2.2 193,-0.3 2,-0.7 -0.998 55.7-115.0-153.3 153.0 54.8 21.8 73.4 110 110 A V E -DE 261 301A 7 191,-4.2 191,-1.8 -2,-0.3 2,-0.4 -0.796 32.7-163.8 -92.1 115.2 56.2 25.3 72.8 111 111 A E E +D 260 0A 7 149,-3.0 149,-1.4 -2,-0.7 2,-0.3 -0.820 14.5 166.4-101.8 136.2 59.4 25.2 70.8 112 112 A A - 0 0 1 -2,-0.4 212,-0.1 147,-0.2 147,-0.1 -0.985 33.8-116.7-149.2 136.9 61.8 28.2 70.6 113 113 A L - 0 0 0 -2,-0.3 2,-0.3 145,-0.2 115,-0.2 -0.377 34.3-177.0 -71.6 150.8 65.3 28.5 69.4 114 114 A S E -I 227 0E 1 113,-2.0 113,-1.7 132,-0.1 2,-0.6 -0.909 34.5 -99.4-140.9 167.6 68.0 29.6 71.9 115 115 A L E -IJ 226 245E 2 130,-2.3 130,-2.9 -2,-0.3 2,-0.6 -0.833 37.7-163.1 -90.7 119.3 71.8 30.4 71.9 116 116 A I E -IJ 225 244E 0 109,-2.7 109,-2.2 -2,-0.6 2,-0.3 -0.930 13.7-175.5-107.4 121.0 73.6 27.3 73.2 117 117 A Y E -IJ 224 243E 30 126,-2.1 126,-1.6 -2,-0.6 2,-0.9 -0.833 32.4-117.3-122.9 158.8 77.2 27.9 74.3 118 118 A N E >> - J 0 242E 7 105,-2.9 4,-2.7 -2,-0.3 3,-0.7 -0.796 21.5-159.7 -91.3 105.9 80.2 26.0 75.5 119 119 A K T 34 S+ 0 0 81 122,-2.4 -1,-0.2 -2,-0.9 123,-0.1 0.804 89.9 55.3 -55.2 -32.2 80.9 27.3 79.0 120 120 A D T 34 S+ 0 0 115 121,-0.6 -1,-0.2 1,-0.2 122,-0.1 0.832 116.5 33.8 -73.7 -32.1 84.4 26.1 78.8 121 121 A L T <4 S+ 0 0 44 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.715 134.5 23.9 -92.0 -25.8 85.3 27.9 75.6 122 122 A L < + 0 0 12 -4,-2.7 -1,-0.2 101,-0.2 -2,-0.1 -0.664 57.6 175.7-147.9 85.7 83.2 31.0 76.2 123 123 A P S S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.893 86.0 36.2 -54.1 -47.2 82.2 31.8 79.9 124 124 A N S S- 0 0 139 -5,-0.0 3,-0.1 0, 0.0 -5,-0.0 -0.876 85.7-151.1-115.8 98.4 80.5 35.0 78.8 125 125 A P - 0 0 20 0, 0.0 -8,-0.0 0, 0.0 -6,-0.0 -0.292 34.7 -88.3 -65.0 150.2 78.7 34.6 75.5 126 126 A P - 0 0 5 0, 0.0 3,-0.0 0, 0.0 6,-0.0 -0.290 26.1-154.5 -61.0 140.5 78.3 37.7 73.3 127 127 A K S S+ 0 0 124 121,-0.1 122,-2.2 -3,-0.1 2,-0.3 0.675 78.5 46.1 -87.7 -17.4 75.2 39.8 74.0 128 128 A T B > S-l 249 0F 39 120,-0.3 3,-0.8 1,-0.1 122,-0.2 -0.906 73.4-132.9-128.3 153.2 75.2 41.1 70.4 129 129 A W G > S+ 0 0 5 120,-3.2 3,-1.8 -2,-0.3 121,-0.1 0.877 104.1 65.7 -66.2 -36.0 75.6 39.8 66.9 130 130 A E G 3 S+ 0 0 79 119,-0.4 4,-0.3 1,-0.3 -1,-0.2 0.668 95.3 54.3 -62.0 -21.5 78.0 42.6 66.2 131 131 A E G <> S+ 0 0 89 -3,-0.8 4,-1.7 1,-0.2 -1,-0.3 0.466 88.8 83.9 -93.5 3.2 80.6 41.4 68.6 132 132 A I H <> S+ 0 0 2 -3,-1.8 4,-2.7 2,-0.2 5,-0.2 0.878 80.4 57.8 -73.0 -39.7 80.7 37.9 67.0 133 133 A P H > S+ 0 0 27 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.923 112.0 42.5 -58.2 -42.0 83.1 38.7 64.1 134 134 A A H > S+ 0 0 63 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.908 112.4 55.0 -67.4 -42.3 85.8 39.8 66.6 135 135 A L H X S+ 0 0 20 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.885 106.9 50.5 -57.4 -40.6 84.9 36.8 68.8 136 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S+ 0 0 15 -3,-1.5 -1,-0.3 -6,-0.3 4,-0.2 0.761 119.5 40.7 -79.8 -26.1 67.3 29.1 62.1 157 157 A T H >X S+ 0 0 2 -4,-0.8 4,-1.6 -3,-0.5 3,-0.9 0.689 95.6 80.8 -95.8 -18.9 68.2 32.3 60.2 158 158 A W H 3X S+ 0 0 6 -4,-3.3 4,-3.0 1,-0.2 5,-0.4 0.841 79.7 65.4 -56.4 -39.2 64.8 34.0 60.6 159 159 A P H 3> S+ 0 0 5 0, 0.0 97,-2.1 0, 0.0 4,-0.9 0.873 108.6 41.4 -53.6 -37.6 65.5 35.3 64.2 160 160 A L H <> S+ 0 0 5 -3,-0.9 4,-0.5 95,-0.2 -2,-0.2 0.855 114.3 50.3 -78.2 -37.3 68.2 37.5 62.9 161 161 A I H ><>S+ 0 0 4 -4,-1.6 5,-1.1 1,-0.2 3,-0.6 0.964 115.2 43.1 -65.8 -48.2 66.3 38.7 59.8 162 162 A A H ><5S+ 0 0 7 -4,-3.0 3,-2.3 1,-0.2 -1,-0.2 0.752 92.6 88.8 -66.8 -26.4 63.2 39.6 61.7 163 163 A A H 3<5S+ 0 0 2 -4,-0.9 -1,-0.2 -5,-0.4 -2,-0.1 0.815 96.4 31.7 -41.1 -49.1 65.3 41.3 64.5 164 164 A D T <<5S- 0 0 42 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.084 142.5 -51.3-104.1 23.4 65.4 44.7 63.0 165 165 A G T < 5S+ 0 0 35 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.225 86.6 133.8 135.6 -22.4 62.1 44.8 61.1 166 166 A G < 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176 A Y E -N 171 0G 49 -2,-0.3 2,-1.0 -5,-0.2 -5,-0.2 -0.844 15.4-147.6-100.0 130.5 46.9 38.5 59.0 177 177 A D E > -N 170 0G 79 -7,-2.6 3,-1.5 -2,-0.5 -7,-0.6 -0.812 9.9-163.6 -95.6 95.4 47.1 40.3 55.6 178 178 A I E 3 S+ 0 0 55 -2,-1.0 -1,-0.1 1,-0.3 3,-0.1 0.430 86.7 53.4 -63.6 3.0 48.6 37.6 53.3 179 179 A K E 3 S+ 0 0 118 1,-0.1 2,-1.4 -9,-0.1 -1,-0.3 0.651 89.3 79.5-106.9 -22.1 49.4 40.2 50.7 180 180 A D E < + 0 0 52 -3,-1.5 -10,-2.8 -10,-0.2 2,-0.4 -0.668 66.8 176.7 -88.3 84.1 51.4 42.5 53.1 181 181 A V E -N 169 0G 6 -2,-1.4 3,-0.3 -12,-0.2 -12,-0.2 -0.758 20.9-164.5 -93.8 135.5 54.7 40.6 53.2 182 182 A G E > +N 167 0G 1 -14,-1.6 -15,-1.6 -15,-0.7 3,-0.6 0.012 55.9 106.9-110.8 31.6 57.6 42.0 55.2 183 183 A V T 3 S+ 0 0 3 -15,-0.3 -1,-0.2 -17,-0.2 182,-0.1 0.609 82.5 42.9 -84.2 -12.5 60.6 40.0 53.8 184 184 A D T 3 S+ 0 0 54 -3,-0.3 -1,-0.2 -17,-0.1 178,-0.1 0.124 84.7 115.8-122.2 26.0 62.2 42.7 51.8 185 185 A N S <> S- 0 0 43 -3,-0.6 4,-2.3 -18,-0.1 5,-0.2 -0.222 84.9 -90.0 -83.0 178.3 62.0 45.7 54.0 186 186 A A H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.904 125.5 52.5 -55.3 -44.0 64.9 47.6 55.5 187 187 A G H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -23,-0.3 0.950 110.0 44.2 -58.9 -56.1 64.9 45.4 58.6 188 188 A A H > S+ 0 0 0 -6,-0.3 4,-2.5 1,-0.2 5,-0.3 0.874 114.6 51.7 -59.0 -37.7 65.0 42.0 56.8 189 189 A K H X S+ 0 0 71 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.890 108.2 51.3 -65.7 -40.8 67.7 43.4 54.4 190 190 A A H X S+ 0 0 22 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.873 113.2 45.6 -64.8 -37.2 69.8 44.6 57.3 191 191 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 -30,-0.4 -2,-0.2 0.959 114.6 44.3 -72.4 -52.1 69.6 41.1 59.0 192 192 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.877 112.1 54.7 -61.4 -36.8 70.3 39.0 55.9 193 193 A T H X S+ 0 0 50 -4,-2.2 4,-3.1 -5,-0.3 -1,-0.2 0.930 107.1 49.7 -62.2 -45.0 73.1 41.3 54.9 194 194 A F H X S+ 0 0 34 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.923 112.2 49.1 -58.8 -43.9 74.8 40.9 58.2 195 195 A L H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 3,-0.4 0.979 111.6 47.4 -58.6 -57.8 74.5 37.2 57.9 196 196 A V H X S+ 0 0 14 -4,-3.2 4,-2.6 1,-0.3 -2,-0.2 0.883 109.1 54.9 -53.1 -41.3 75.9 37.2 54.4 197 197 A D H X S+ 0 0 74 -4,-3.1 4,-3.3 2,-0.2 -1,-0.3 0.923 102.9 56.8 -59.5 -40.9 78.8 39.4 55.5 198 198 A L H <>S+ 0 0 2 -4,-2.2 5,-3.0 -3,-0.4 6,-0.6 0.940 110.0 45.1 -54.0 -46.1 79.6 36.8 58.2 199 199 A I H ><5S+ 0 0 19 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.898 113.0 50.5 -65.0 -39.9 79.9 34.3 55.4 200 200 A K H 3<5S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.936 110.2 47.6 -65.2 -46.4 82.0 36.7 53.3 201 201 A N T 3<5S- 0 0 100 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.194 118.4-117.8 -80.2 19.5 84.4 37.5 56.1 202 202 A K T < 5S+ 0 0 149 -3,-1.3 -3,-0.2 2,-0.2 3,-0.1 0.829 74.1 133.3 47.6 47.2 84.6 33.7 56.6 203 203 A H S - 0 0 93 -2,-0.3 3,-1.6 -3,-0.1 -54,-0.2 -0.661 15.6-133.2 -92.0 144.0 80.4 28.8 55.8 206 206 A A T 3 S+ 0 0 29 -2,-0.3 146,-0.1 1,-0.3 -1,-0.1 0.622 104.8 58.0 -66.5 -13.6 77.3 29.0 53.6 207 207 A D T 3 S+ 0 0 107 144,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.381 70.8 126.1-100.1 4.9 77.1 25.2 53.4 208 208 A T < + 0 0 2 -3,-1.6 -57,-2.2 -59,-0.1 -56,-0.4 -0.485 36.7 175.4 -65.6 118.6 76.8 24.5 57.2 209 209 A D > - 0 0 56 -2,-0.4 4,-1.6 -59,-0.2 5,-0.2 -0.247 45.2 -75.3-108.1-160.0 73.7 22.4 57.7 210 210 A Y H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.951 124.4 41.1 -68.9 -52.2 72.2 20.8 60.8 211 211 A S H > S+ 0 0 69 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.891 113.0 54.3 -66.3 -40.1 74.5 17.8 61.4 212 212 A I H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.968 113.4 41.9 -57.7 -52.1 77.6 19.7 60.6 213 213 A A H X S+ 0 0 3 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.872 115.4 49.9 -64.7 -38.2 76.8 22.4 63.2 214 214 A E H X S+ 0 0 36 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.929 113.0 45.9 -67.2 -43.6 75.6 19.8 65.8 215 215 A A H X S+ 0 0 39 -4,-2.9 4,-2.7 1,-0.2 6,-0.3 0.955 111.5 52.7 -62.6 -49.0 78.7 17.7 65.4 216 216 A A H <>S+ 0 0 4 -4,-2.6 5,-2.2 -5,-0.3 6,-1.1 0.869 114.0 42.2 -55.3 -40.9 81.0 20.7 65.6 217 217 A F H ><5S+ 0 0 0 -4,-1.9 3,-1.3 4,-0.2 -1,-0.2 0.907 116.1 46.5 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-113,-2.0 -2,-0.5 -115,-0.1 -0.963 47.9 -98.5-161.1 175.6 68.9 25.2 68.3 228 228 A G > - 0 0 1 -2,-0.3 3,-1.7 -115,-0.2 4,-0.3 -0.356 51.3 -86.1 -95.4 179.7 65.7 24.1 70.0 229 229 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.736 117.2 73.0 -56.5 -30.1 65.1 21.9 73.1 230 230 A W G 3 S+ 0 0 12 1,-0.3 4,-0.4 67,-0.2 3,-0.3 0.616 91.2 59.4 -64.0 -12.4 65.3 18.7 71.1 231 231 A A G <> S+ 0 0 2 -3,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.675 80.1 84.4 -90.7 -18.3 69.1 19.2 70.8 232 232 A W H <> S+ 0 0 2 -3,-1.3 4,-1.2 -4,-0.3 -1,-0.2 0.742 84.4 60.0 -56.3 -27.0 69.8 19.2 74.5 233 233 A S H >> S+ 0 0 17 -4,-0.3 4,-2.0 -3,-0.3 3,-0.8 0.991 104.0 45.4 -66.8 -61.3 70.0 15.4 74.6 234 234 A N H 3> S+ 0 0 58 -4,-0.4 4,-0.7 1,-0.3 -2,-0.2 0.843 113.5 50.9 -51.5 -36.4 72.8 14.8 72.2 235 235 A I H 3<>S+ 0 0 5 -4,-1.6 5,-0.9 1,-0.2 4,-0.3 0.835 106.6 56.7 -71.6 -29.7 74.8 17.6 73.9 236 236 A D H X<5S+ 0 0 86 -4,-1.2 3,-1.3 -3,-0.8 -2,-0.2 0.932 107.8 45.7 -63.4 -47.7 74.2 15.8 77.2 237 237 A T H 3<5S+ 0 0 116 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.621 105.0 64.0 -71.4 -14.5 75.7 12.6 75.9 238 238 A S T 3<5S- 0 0 45 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.515 101.6-132.7 -87.5 -7.3 78.6 14.6 74.5 239 239 A A T < 5 + 0 0 89 -3,-1.3 -3,-0.1 -4,-0.3 -2,-0.1 0.529 52.0 151.8 68.4 6.7 79.7 15.7 78.0 240 240 A V < - 0 0 22 -5,-0.9 2,-1.2 -22,-0.1 -1,-0.2 -0.409 49.7-127.4 -67.0 144.7 80.0 19.3 76.8 241 241 A N + 0 0 77 -3,-0.1 -122,-2.4 -2,-0.1 -121,-0.6 -0.740 47.8 168.6 -97.8 88.9 79.4 21.9 79.5 242 242 A Y E -J 118 0E 26 -2,-1.2 2,-0.3 -124,-0.2 -124,-0.2 -0.435 28.0-155.7-102.1 172.6 76.8 24.0 77.9 243 243 A G E -J 117 0E 8 -126,-1.6 -126,-2.1 -2,-0.1 2,-0.5 -0.947 12.0-141.9-140.9 155.8 74.4 26.8 78.7 244 244 A V E +J 116 0E 19 -2,-0.3 2,-0.2 -128,-0.2 -128,-0.2 -0.976 37.1 158.2-125.4 113.1 71.2 27.9 77.0 245 245 A T E -J 115 0E 29 -130,-2.9 -130,-2.3 -2,-0.5 -2,-0.0 -0.770 45.0 -60.8-132.5 175.7 70.7 31.7 76.9 246 246 A V - 0 0 22 -2,-0.2 -1,-0.1 -132,-0.2 -132,-0.1 -0.233 61.0-107.7 -53.1 139.3 69.0 34.7 75.2 247 247 A L - 0 0 5 -134,-0.2 8,-0.1 8,-0.2 -1,-0.1 -0.229 44.7 -90.7 -65.4 161.9 69.8 35.0 71.5 248 248 A P - 0 0 2 0, 0.0 7,-0.9 0, 0.0 -120,-0.3 -0.344 41.3-118.8 -72.0 159.9 72.1 37.9 70.6 249 249 A T E -lM 128 254F 37 -122,-2.2 -120,-3.2 5,-0.2 2,-0.4 -0.570 17.3-146.6 -93.8 163.1 70.6 41.2 69.7 250 250 A F E > S- M 0 253F 8 3,-3.5 3,-2.9 -2,-0.2 -59,-0.1 -0.999 80.2 -10.4-131.4 128.4 71.1 42.9 66.4 251 251 A K T 3 S- 0 0 103 -2,-0.4 -1,-0.1 1,-0.3 -123,-0.0 0.903 131.9 -56.7 48.6 41.0 71.2 46.7 66.1 252 252 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.308 117.8 110.8 76.4 -8.5 70.1 46.7 69.7 253 253 A Q E < S-M 250 0F 86 -3,-2.9 -3,-3.5 1,-0.0 -1,-0.2 -0.743 72.5-111.1 -98.5 147.6 66.9 44.6 69.0 254 254 A P E -M 249 0F 33 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.447 37.9 -99.8 -75.0 149.5 66.6 41.0 70.3 255 255 A S - 0 0 1 -7,-0.9 -95,-0.2 -8,-0.1 -8,-0.2 -0.465 36.2-145.7 -65.0 140.9 66.5 38.2 67.7 256 256 A K - 0 0 62 -97,-2.1 -94,-0.2 -98,-0.3 71,-0.1 -0.776 15.3-167.4-117.3 89.3 62.9 37.2 67.1 257 257 A P - 0 0 0 0, 0.0 71,-1.3 0, 0.0 2,-0.5 -0.365 28.6-110.9 -74.8 153.6 62.5 33.5 66.4 258 258 A F E -o 328 0H 11 -103,-0.3 2,-0.5 69,-0.2 -145,-0.2 -0.729 35.5-134.7 -82.1 128.4 59.3 32.1 65.1 259 259 A V E -o 329 0H 3 69,-2.8 71,-2.5 -2,-0.5 2,-0.3 -0.756 19.0-159.9 -91.5 123.1 57.8 30.1 67.8 260 260 A G E - D 0 111A 0 -149,-1.4 -149,-3.0 -2,-0.5 2,-0.5 -0.683 9.8-150.8-100.5 154.4 56.5 26.7 66.9 261 261 A V E - D 0 110A 0 -2,-0.3 -197,-1.6 -151,-0.2 -151,-0.2 -0.942 22.5-131.8-124.3 105.1 54.0 24.6 68.8 262 262 A L E -CD 63 109A 4 -153,-2.2 -154,-3.3 -2,-0.5 -153,-0.9 -0.360 39.1-179.2 -55.2 128.8 54.5 20.9 68.2 263 263 A S E -CD 62 107A 0 -201,-3.0 -201,-1.6 -156,-0.2 2,-0.5 -0.952 28.6-140.1-139.5 156.8 51.1 19.5 67.5 264 264 A A E -CD 61 106A 0 -158,-2.7 -158,-2.8 -2,-0.3 2,-0.3 -0.953 21.2-175.0-120.4 118.0 49.3 16.2 66.6 265 265 A G E -C 60 0A 0 -205,-2.4 -205,-2.2 -2,-0.5 2,-0.4 -0.766 20.9-127.1-109.8 156.5 46.5 16.1 64.0 266 266 A I E -C 59 0A 0 -189,-0.5 -189,-2.6 -162,-0.3 -207,-0.2 -0.881 30.4-108.9-106.6 133.0 44.3 13.2 63.0 267 267 A N B > -F 76 0B 3 -209,-3.0 3,-0.9 -2,-0.4 -191,-0.3 -0.361 15.6-139.5 -60.3 127.8 44.0 12.2 59.3 268 268 A A T 3 S+ 0 0 35 -193,-2.4 -192,-0.2 1,-0.3 -1,-0.1 0.833 106.8 48.0 -56.8 -33.0 40.6 13.1 57.8 269 269 A A T 3 S+ 0 0 41 -194,-0.3 -1,-0.3 -214,-0.2 -211,-0.1 0.650 84.9 118.9 -82.9 -18.3 40.7 9.7 56.1 270 270 A S < - 0 0 5 -3,-0.9 3,-0.5 -213,-0.2 -267,-0.1 -0.175 51.5-157.5 -53.3 138.5 41.7 7.7 59.2 271 271 A P S S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.138 89.9 62.0-101.8 16.3 39.2 5.0 60.3 272 272 A N > + 0 0 9 -270,-0.1 4,-2.8 -268,-0.1 5,-0.2 -0.025 57.1 135.9-128.3 27.2 40.5 5.1 63.8 273 273 A K H > S+ 0 0 68 -3,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.790 77.8 48.3 -48.0 -31.3 39.7 8.7 64.6 274 274 A E H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 109.7 48.8 -76.7 -45.8 38.5 7.5 68.0 275 275 A L H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.849 110.4 55.0 -60.2 -34.3 41.5 5.4 68.8 276 276 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.921 108.9 45.5 -64.7 -45.2 43.6 8.4 67.9 277 277 A K H X S+ 0 0 39 -4,-1.4 4,-2.4 -5,-0.2 5,-0.4 0.862 110.6 53.4 -67.4 -37.5 41.8 10.7 70.3 278 278 A E H X S+ 0 0 77 -4,-2.3 4,-2.1 3,-0.2 5,-0.4 0.902 113.1 45.3 -64.1 -41.3 42.0 8.2 73.1 279 279 A F H X>S+ 0 0 0 -4,-1.9 5,-2.2 -5,-0.2 4,-2.2 0.981 116.8 41.0 -66.4 -60.4 45.7 7.9 72.6 280 280 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 3,-0.2 -2,-0.2 0.895 123.4 39.5 -57.0 -44.3 46.6 11.6 72.3 281 281 A E H <5S+ 0 0 33 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.881 127.3 26.6 -77.4 -41.5 44.2 12.6 75.1 282 282 A N H <5S+ 0 0 96 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.2 0.647 132.9 25.5-100.5 -15.6 44.6 9.9 77.7 283 283 A Y T ><5S+ 0 0 37 -4,-2.2 3,-0.5 -5,-0.4 6,-0.5 0.790 126.3 33.0-112.6 -53.7 48.1 8.6 77.1 284 284 A L T 3 S- 0 0 25 -2,-2.8 4,-2.4 -3,-0.5 5,-0.4 -0.875 90.9-106.1-130.4 161.8 49.5 13.0 80.5 287 287 A D H > S+ 0 0 57 -2,-0.3 4,-1.2 1,-0.2 -1,-0.0 0.814 124.9 45.6 -58.6 -27.5 52.4 13.7 83.0 288 288 A E H > S+ 0 0 126 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.915 110.3 50.8 -80.6 -48.5 53.5 10.2 82.1 289 289 A G H > S+ 0 0 3 -6,-0.5 4,-1.2 2,-0.2 3,-0.2 0.940 114.9 41.9 -56.7 -52.2 53.1 10.4 78.3 290 290 A L H >X S+ 0 0 0 -4,-2.4 4,-3.9 -6,-0.6 3,-1.0 0.953 111.6 55.0 -61.6 -49.8 55.1 13.7 78.0 291 291 A E H 3X S+ 0 0 84 -4,-1.2 4,-1.8 -5,-0.4 -1,-0.2 0.822 105.4 55.2 -53.7 -31.3 57.8 12.6 80.4 292 292 A A H 3X S+ 0 0 31 -4,-1.9 4,-0.5 2,-0.2 -1,-0.3 0.831 115.5 37.3 -71.2 -32.9 58.3 9.5 78.3 293 293 A V H XX S+ 0 0 7 -4,-1.2 4,-2.1 -3,-1.0 3,-1.1 0.920 113.0 56.9 -81.7 -49.3 58.9 11.6 75.2 294 294 A N H 3< S+ 0 0 28 -4,-3.9 -2,-0.2 1,-0.3 -3,-0.2 0.830 102.4 55.3 -50.7 -39.0 60.8 14.3 77.1 295 295 A K H 3< S+ 0 0 158 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.840 108.9 48.9 -66.5 -30.9 63.3 11.8 78.3 296 296 A D H << S- 0 0 29 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.985 140.7 -17.6 -69.0 -58.9 64.0 10.8 74.8 297 297 A K S < S- 0 0 50 -4,-2.1 -281,-0.4 -281,-0.2 -1,-0.3 -0.950 83.9-101.1-149.7 124.8 64.4 14.4 73.5 298 298 A P - 0 0 15 0, 0.0 -66,-0.1 0, 0.0 3,-0.1 -0.125 23.4-157.0 -49.4 138.4 63.2 17.5 75.4 299 299 A L - 0 0 6 1,-0.3 2,-0.3 -70,-0.1 -37,-0.2 0.748 31.7-130.1 -89.4 -26.2 59.9 18.9 74.1 300 300 A G - 0 0 0 -71,-0.2 2,-0.8 -189,-0.1 -1,-0.3 -0.865 68.8 -5.3 108.2-147.4 60.4 22.4 75.4 301 301 A A E S-E 110 0A 6 -191,-1.8 -191,-4.2 -2,-0.3 7,-0.1 -0.748 83.7-138.4 -85.6 112.7 57.6 24.1 77.4 302 302 A V E -E 109 0A 2 -2,-0.8 -193,-0.3 -193,-0.3 -212,-0.1 -0.299 11.3-131.4 -74.9 154.1 54.7 21.7 77.2 303 303 A A S S+ 0 0 0 -195,-2.9 -213,-1.5 -214,-0.1 2,-0.5 0.876 86.3 90.5 -67.1 -38.9 51.0 22.6 76.7 304 304 A L B > -G 89 0C 4 -196,-0.5 4,-1.7 -215,-0.2 -215,-0.2 -0.483 68.3-154.3 -65.8 111.2 49.9 20.4 79.7 305 305 A K H > S+ 0 0 82 -217,-2.4 4,-2.2 -2,-0.5 3,-0.4 0.915 86.6 56.1 -51.2 -58.2 50.0 22.6 82.7 306 306 A S H 4 S+ 0 0 54 -218,-0.3 4,-0.5 1,-0.3 -1,-0.2 0.889 115.1 38.4 -45.2 -50.0 50.5 20.0 85.4 307 307 A Y H >> S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.763 110.1 60.7 -76.8 -24.0 53.7 18.7 83.8 308 308 A E H 3X S+ 0 0 15 -4,-1.7 4,-3.2 -3,-0.4 5,-0.2 0.843 91.4 69.4 -70.8 -29.8 54.8 22.2 82.8 309 309 A E H 3< S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 106.9 38.4 -56.0 -33.0 54.9 23.1 86.5 310 310 A E H X4 S+ 0 0 96 -3,-0.6 3,-2.2 -4,-0.5 4,-0.4 0.950 115.8 50.3 -80.4 -55.9 57.9 20.8 86.8 311 311 A L H >< S+ 0 0 20 -4,-1.9 3,-2.1 1,-0.3 6,-0.3 0.834 97.3 67.5 -51.9 -39.2 59.6 21.6 83.5 312 312 A A T 3< S+ 0 0 53 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.1 0.679 89.1 69.2 -58.8 -14.2 59.5 25.4 84.1 313 313 A K T < S+ 0 0 147 -3,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.811 78.2 92.6 -73.8 -28.4 61.9 24.8 86.9 314 314 A D S X> S- 0 0 41 -3,-2.1 4,-1.9 -4,-0.4 3,-0.7 -0.507 74.2-143.8 -68.7 125.7 64.6 23.9 84.4 315 315 A P H 3> S+ 0 0 97 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.785 100.5 59.7 -60.1 -30.9 66.7 27.0 83.5 316 316 A R H 3> S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -4,-0.1 0.856 106.4 47.8 -66.6 -34.7 67.0 25.9 79.9 317 317 A I H <> S+ 0 0 6 -3,-0.7 4,-2.4 -6,-0.3 -1,-0.2 0.893 110.1 51.4 -71.2 -42.0 63.2 25.9 79.7 318 318 A A H X S+ 0 0 55 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.912 111.4 48.2 -60.7 -42.0 63.1 29.4 81.2 319 319 A A H X S+ 0 0 9 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.882 107.9 55.4 -66.2 -38.1 65.7 30.5 78.6 320 320 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.949 108.8 47.3 -58.5 -46.8 63.6 28.9 75.9 321 321 A M H X S+ 0 0 51 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.732 106.1 58.2 -69.9 -22.9 60.6 31.0 77.0 322 322 A E H X S+ 0 0 76 -4,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.898 110.0 42.8 -73.0 -39.7 62.6 34.2 77.1 323 323 A N H >X S+ 0 0 1 -4,-1.9 4,-1.3 2,-0.2 3,-0.5 0.886 111.0 56.9 -70.0 -36.2 63.5 33.8 73.5 324 324 A A H 3< S+ 0 0 15 -4,-2.2 3,-0.5 1,-0.3 -2,-0.2 0.910 104.5 52.7 -58.7 -42.4 59.9 32.8 72.8 325 325 A Q H 3< S+ 0 0 158 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.749 105.7 53.8 -65.1 -27.4 58.8 36.1 74.3 326 326 A K H << S+ 0 0 69 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.749 118.0 36.2 -78.8 -25.3 61.2 38.0 72.0 327 327 A G S < S- 0 0 18 -4,-1.3 2,-0.3 -3,-0.5 -69,-0.2 -0.047 87.6-113.4-105.0-151.5 59.6 36.3 69.0 328 328 A E E -o 258 0H 91 -71,-1.3 -69,-2.8 -72,-0.1 2,-0.1 -0.998 27.0 -92.0-152.0 153.5 56.1 35.3 68.2 329 329 A I E -o 259 0H 52 -2,-0.3 -69,-0.2 -71,-0.2 -71,-0.0 -0.409 52.9-106.2 -65.2 137.3 54.0 32.2 67.6 330 330 A M - 0 0 7 -71,-2.5 -1,-0.1 -2,-0.1 2,-0.1 -0.236 29.1-113.9 -63.8 147.8 53.9 31.2 64.0 331 331 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -263,-0.1 -0.472 16.1-150.1 -75.9 159.9 50.7 31.8 62.0 332 332 A N + 0 0 18 -234,-0.1 -264,-0.4 -2,-0.1 -263,-0.2 0.230 52.0 128.5-113.6 10.7 49.0 28.6 60.8 333 333 A I S > S- 0 0 27 -265,-0.2 3,-2.2 1,-0.1 -264,-0.3 -0.327 73.7-108.9 -65.4 149.3 47.5 30.0 57.7 334 334 A P T >> S+ 0 0 34 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.791 112.5 69.5 -48.1 -35.3 48.1 28.1 54.4 335 335 A Q H 3> S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.725 76.1 85.9 -60.4 -21.8 50.5 30.8 53.1 336 336 A M H <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.857 86.0 51.3 -49.3 -44.1 53.1 29.9 55.7 337 337 A S H <> S+ 0 0 37 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