==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 03-DEC-10 3PU5 . COMPND 2 MOLECULE: EXTRACELLULAR SOLUTE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PARAPERTUSSIS; . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTE . 322 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.1 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 0 0 2 1 4 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 30 A L > 0 0 174 0, 0.0 3,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.6 53.0 -3.1 -1.9 2 31 A A T 3 + 0 0 90 1,-0.2 3,-0.1 2,-0.0 0, 0.0 0.802 360.0 49.7 -57.7 -34.5 54.2 -3.8 1.5 3 32 A D T 3 S+ 0 0 119 1,-0.2 2,-1.6 30,-0.0 -1,-0.2 0.666 87.4 88.2 -83.5 -13.9 57.2 -1.6 0.9 4 33 A D < + 0 0 66 -3,-0.8 30,-2.1 28,-0.1 2,-0.3 -0.461 65.4 99.8 -86.1 68.2 55.2 1.4 -0.3 5 34 A H E -a 34 0A 41 -2,-1.6 2,-0.3 28,-0.2 30,-0.2 -0.958 51.2-166.6-153.4 119.9 54.6 2.9 3.0 6 35 A I E -a 35 0A 0 28,-3.0 30,-2.6 -2,-0.3 2,-0.5 -0.872 13.5-139.8-116.9 153.7 56.5 5.9 4.5 7 36 A Y E -a 36 0A 84 -2,-0.3 52,-2.4 28,-0.2 53,-2.0 -0.942 19.6-175.8-112.7 127.6 56.7 7.4 8.0 8 37 A V E -ab 37 60A 1 28,-2.7 30,-2.2 -2,-0.5 53,-0.2 -0.986 22.2-126.5-128.0 124.6 56.7 11.2 8.4 9 38 A T E +a 38 0A 1 51,-2.1 2,-0.3 -2,-0.4 28,-0.0 -0.289 35.2 163.6 -68.0 153.9 57.2 12.9 11.7 10 39 A S E -a 39 0A 3 28,-2.2 30,-0.7 1,-0.2 35,-0.1 -0.927 34.5-123.9-156.1-179.1 54.7 15.5 12.8 11 40 A S - 0 0 51 -2,-0.3 29,-1.0 28,-0.2 2,-0.3 0.857 45.4-104.3 -97.4 -86.5 53.6 17.4 16.0 12 41 A G >> + 0 0 31 27,-0.2 4,-1.4 26,-0.0 3,-0.7 -0.977 67.7 41.0 175.9-174.5 50.0 17.1 16.9 13 42 A G H 3> S- 0 0 52 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.105 114.8 -13.8 54.3-144.5 46.7 18.9 17.1 14 43 A S H 3> S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.812 134.2 57.3 -65.0 -35.1 45.5 21.1 14.2 15 44 A F H <> S+ 0 0 30 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.973 111.1 42.5 -59.1 -54.9 48.9 21.2 12.5 16 45 A L H X S+ 0 0 9 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.876 112.2 53.8 -60.1 -41.7 49.1 17.4 12.2 17 46 A E H X S+ 0 0 113 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.877 111.6 46.6 -61.0 -37.7 45.4 17.1 11.2 18 47 A N H X S+ 0 0 21 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.844 108.1 53.4 -78.9 -32.3 46.1 19.5 8.4 19 48 A V H X>S+ 0 0 4 -4,-2.3 5,-2.5 2,-0.2 4,-2.0 0.912 113.3 46.4 -60.5 -43.1 49.3 17.9 7.2 20 49 A R H <>S+ 0 0 103 -4,-2.4 5,-3.2 3,-0.2 -2,-0.2 0.953 117.5 42.1 -62.7 -50.6 47.3 14.7 7.0 21 50 A K H <5S+ 0 0 126 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.879 127.8 27.2 -64.7 -41.6 44.4 16.3 5.2 22 51 A H H <5S+ 0 0 34 -4,-2.7 247,-0.3 -5,-0.1 -3,-0.2 0.599 135.9 16.9-106.6 -12.8 46.3 18.5 2.8 23 52 A X T X5S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.3 -3,-0.2 0.685 124.2 40.5-121.9 -57.4 49.6 16.7 2.3 24 53 A A H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.893 113.5 51.2 -57.6 -39.5 46.3 13.7 -1.4 27 56 A F H X S+ 0 0 11 -4,-1.7 4,-2.7 2,-0.2 6,-0.5 0.912 107.6 51.5 -63.3 -45.5 49.8 12.2 -1.9 28 57 A E H X S+ 0 0 55 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.919 110.4 51.1 -55.5 -44.9 48.6 8.7 -1.0 29 58 A K H < S+ 0 0 183 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 116.7 37.4 -61.7 -43.6 45.8 9.1 -3.5 30 59 A Q H < S+ 0 0 127 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.808 129.4 30.0 -81.5 -27.5 48.1 10.2 -6.4 31 60 A S H < S- 0 0 50 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.653 91.1-129.6-106.7 -21.5 51.0 8.0 -5.6 32 61 A G < + 0 0 54 -4,-2.6 2,-0.6 -5,-0.4 -4,-0.2 0.538 66.3 132.9 75.2 7.8 49.5 4.9 -4.0 33 62 A V - 0 0 10 -6,-0.5 -1,-0.3 -5,-0.1 -28,-0.2 -0.814 55.6-132.1 -96.4 121.9 52.1 5.3 -1.2 34 63 A K E -a 5 0A 116 -30,-2.1 -28,-3.0 -2,-0.6 2,-0.5 -0.467 19.5-157.1 -70.4 140.8 50.7 5.1 2.3 35 64 A V E -a 6 0A 12 -30,-0.2 2,-0.5 -2,-0.2 -28,-0.2 -0.981 7.8-167.1-123.4 125.1 51.8 7.8 4.7 36 65 A T E -a 7 0A 42 -30,-2.6 -28,-2.7 -2,-0.5 2,-0.6 -0.951 12.4-149.6-106.8 122.7 51.8 7.5 8.5 37 66 A L E -a 8 0A 13 -2,-0.5 -28,-0.2 -30,-0.2 -30,-0.0 -0.823 10.7-152.0 -89.8 124.1 52.2 10.7 10.4 38 67 A V E -a 9 0A 29 -30,-2.2 -28,-2.2 -2,-0.6 -2,-0.0 -0.851 10.2-141.5-102.6 105.6 54.0 10.1 13.7 39 68 A P E +a 10 0A 82 0, 0.0 2,-0.3 0, 0.0 -28,-0.2 -0.312 43.4 116.8 -64.3 146.4 53.1 12.6 16.5 40 69 A G - 0 0 27 -29,-1.0 2,-0.2 -30,-0.7 -2,-0.0 -0.939 59.8 -76.3 170.8 169.0 55.8 13.8 18.8 41 70 A T > - 0 0 89 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.510 42.7-113.4 -83.0 157.5 57.9 16.7 20.1 42 71 A N H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.925 115.7 46.7 -54.7 -51.4 60.8 18.2 18.2 43 72 A P H > S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.844 113.1 49.3 -62.1 -37.8 63.5 17.0 20.6 44 73 A A H > S+ 0 0 55 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.916 112.0 47.2 -69.3 -46.6 62.1 13.4 20.8 45 74 A H H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.947 114.4 47.5 -57.8 -49.9 61.8 13.0 17.1 46 75 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 -2,-0.2 0.927 112.6 47.8 -60.3 -47.4 65.4 14.3 16.6 47 76 A L H X S+ 0 0 90 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.912 110.4 52.9 -62.2 -39.9 66.9 12.2 19.3 48 77 A K H X S+ 0 0 104 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.924 113.5 42.7 -61.2 -43.4 65.1 9.1 17.9 49 78 A I H >< S+ 0 0 4 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.904 114.8 51.1 -68.3 -41.7 66.5 9.8 14.5 50 79 A L H 3< S+ 0 0 54 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.917 112.3 46.5 -55.6 -46.1 69.9 10.6 16.0 51 80 A S H 3< S+ 0 0 82 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.612 87.4 122.1 -75.4 -15.0 69.9 7.3 18.0 52 81 A S << - 0 0 35 -4,-0.8 2,-0.4 -3,-0.5 -3,-0.1 -0.137 39.4-170.9 -61.8 143.9 68.8 5.1 15.1 53 82 A R - 0 0 90 2,-0.3 2,-0.4 0, 0.0 -2,-0.0 -0.996 59.0 -14.1-130.0 138.0 70.9 2.2 14.0 54 83 A G S S+ 0 0 76 -2,-0.4 -2,-0.0 2,-0.0 0, 0.0 -0.587 127.4 23.2 77.7-127.5 70.3 0.2 10.8 55 84 A T S S- 0 0 124 -2,-0.4 -2,-0.3 1,-0.0 193,-0.1 -0.656 86.6-129.6 -78.2 120.3 66.8 0.8 9.3 56 85 A P - 0 0 14 0, 0.0 -7,-0.1 0, 0.0 -1,-0.0 -0.309 5.4-134.3 -65.0 152.0 65.6 4.3 10.5 57 86 A P S S+ 0 0 43 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 0.804 89.0 48.1 -76.6 -27.7 62.0 4.4 12.0 58 87 A Y - 0 0 18 1,-0.1 -50,-0.2 -52,-0.1 3,-0.1 -0.879 54.4-168.8-119.6 147.0 61.2 7.5 9.9 59 88 A D S S+ 0 0 7 -52,-2.4 186,-2.2 -2,-0.3 2,-0.5 0.717 81.6 40.5 -98.9 -30.7 61.6 8.3 6.2 60 89 A V E -bC 8 244A 1 -53,-2.0 -51,-2.1 184,-0.2 2,-0.7 -0.985 69.4-150.7-127.2 122.7 60.8 12.1 6.4 61 90 A A E + C 0 243A 0 182,-2.9 182,-2.3 -2,-0.5 2,-0.4 -0.837 25.0 167.6 -91.0 118.5 62.0 14.4 9.2 62 91 A A E + C 0 242A 2 -2,-0.7 2,-0.3 180,-0.2 180,-0.2 -0.857 28.1 89.2-138.5 99.3 59.5 17.2 9.6 63 92 A F E - C 0 241A 6 178,-1.5 178,-2.7 -2,-0.4 -22,-0.1 -0.946 68.8 -22.5-169.0-171.1 59.8 19.4 12.7 64 93 A G > - 0 0 13 -2,-0.3 4,-2.1 176,-0.2 5,-0.2 0.012 50.1-122.3 -56.3 152.1 61.3 22.4 14.3 65 94 A G H > S+ 0 0 14 174,-0.3 4,-2.3 1,-0.2 5,-0.2 0.852 103.9 57.4 -62.9 -43.7 64.5 24.2 13.2 66 95 A N H > S+ 0 0 77 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.938 115.2 36.0 -54.1 -53.0 66.5 23.9 16.5 67 96 A D H >> S+ 0 0 27 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.856 113.4 58.2 -73.8 -33.6 66.3 20.2 16.7 68 97 A X H 3X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.3 3,-0.4 0.867 98.4 61.0 -60.8 -35.8 66.6 19.8 12.9 69 98 A Y H 3X S+ 0 0 38 -4,-2.3 4,-2.2 1,-0.2 -1,-0.3 0.807 97.3 60.6 -62.2 -26.2 69.9 21.6 13.1 70 99 A R H S+ 0 0 0 -4,-1.1 5,-2.6 -3,-0.4 6,-0.4 0.801 110.0 54.7 -71.1 -31.3 70.4 16.2 12.5 72 101 A I H ><5S+ 0 0 9 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.940 109.0 47.3 -61.7 -49.6 72.2 18.6 10.1 73 102 A R H 3<5S+ 0 0 165 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.778 114.0 48.2 -64.1 -28.6 75.3 18.6 12.4 74 103 A A T 3<5S- 0 0 39 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.273 109.9-120.3 -98.6 9.6 75.2 14.8 12.8 75 104 A K T < 5 + 0 0 125 -3,-1.3 -3,-0.2 -4,-0.1 -2,-0.1 0.865 67.6 136.7 58.7 43.3 74.8 14.1 9.0 76 105 A K < + 0 0 70 -5,-2.6 170,-2.3 -6,-0.1 2,-0.4 0.449 46.8 80.4 -99.8 0.5 71.5 12.3 9.3 77 106 A L B S-E 245 0B 5 -6,-0.4 168,-0.2 168,-0.2 2,-0.2 -0.856 75.9-122.9-114.6 141.7 69.7 13.9 6.3 78 107 A A - 0 0 7 166,-3.5 166,-0.4 -2,-0.4 2,-0.1 -0.505 32.8-101.9 -81.6 149.5 70.0 13.0 2.7 79 108 A Q - 0 0 152 -2,-0.2 2,-0.3 164,-0.1 23,-0.2 -0.419 43.3-176.3 -64.7 139.5 71.1 15.6 0.0 80 109 A V + 0 0 10 21,-2.8 2,-0.3 -2,-0.1 23,-0.2 -0.992 9.6 154.9-138.1 148.5 68.2 16.9 -2.1 81 110 A D > - 0 0 58 -2,-0.3 4,-3.3 21,-0.1 7,-0.2 -0.895 59.0 -70.8-155.1-173.4 68.0 19.3 -5.0 82 111 A E T 4 S+ 0 0 98 -2,-0.3 7,-0.2 1,-0.2 6,-0.0 0.711 125.2 56.4 -62.4 -22.7 66.0 20.4 -8.0 83 112 A K T 4 S+ 0 0 161 2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.953 119.8 27.8 -70.4 -51.4 66.9 17.1 -9.8 84 113 A S T 4 S+ 0 0 42 1,-0.3 -2,-0.2 -3,-0.1 174,-0.2 0.746 136.5 29.4 -84.8 -26.6 65.6 14.8 -7.1 85 114 A V >< - 0 0 0 -4,-3.3 3,-2.4 1,-0.1 4,-0.3 -0.729 69.9-172.8-135.5 82.4 62.9 17.2 -5.7 86 115 A P G > S+ 0 0 68 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.776 78.7 69.3 -51.2 -35.0 61.7 19.4 -8.6 87 116 A S G > S+ 0 0 12 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.774 81.7 75.2 -55.5 -27.9 59.6 21.6 -6.3 88 117 A L G X S+ 0 0 6 -3,-2.4 3,-1.2 1,-0.3 -1,-0.3 0.763 82.8 68.3 -58.8 -22.6 62.8 23.0 -4.8 89 118 A A G < S+ 0 0 42 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.772 100.8 47.8 -66.2 -23.9 63.2 25.0 -7.9 90 119 A D G < S+ 0 0 43 -3,-2.2 190,-3.1 -4,-0.3 191,-0.3 0.330 93.5 90.4 -99.5 5.7 60.2 27.0 -6.9 91 120 A V S < S- 0 0 3 -3,-1.2 188,-0.2 -4,-0.3 5,-0.1 -0.911 82.2-119.1-104.7 119.8 61.3 27.6 -3.3 92 121 A P > - 0 0 13 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.217 26.0-112.9 -55.4 148.0 63.4 30.8 -2.7 93 122 A E G >> S+ 0 0 128 1,-0.3 3,-1.8 2,-0.2 4,-1.7 0.788 109.4 69.1 -55.0 -35.3 66.9 30.2 -1.4 94 123 A K G 34 S+ 0 0 61 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.792 95.6 54.7 -57.5 -29.9 66.2 31.7 2.1 95 124 A F G <4 S+ 0 0 0 -3,-1.7 10,-2.4 1,-0.2 -1,-0.3 0.607 118.9 34.5 -78.2 -12.3 63.9 28.8 3.0 96 125 A K T X4>S+ 0 0 29 -3,-1.8 3,-1.7 -4,-0.4 5,-0.5 0.525 90.3 97.7-112.7 -14.2 66.7 26.4 2.2 97 126 A A G ><5S+ 0 0 59 -4,-1.7 3,-0.6 1,-0.3 -2,-0.1 0.776 83.0 47.1 -56.2 -37.0 69.8 28.4 3.3 98 127 A D G 3 5S+ 0 0 33 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.676 99.4 70.3 -76.6 -15.1 70.3 26.9 6.8 99 128 A W G X 5S- 0 0 4 -3,-1.7 3,-2.0 4,-0.2 -1,-0.2 0.274 92.7-127.3-102.8 12.6 70.0 23.3 5.8 100 129 A E T < 5S- 0 0 108 -3,-0.6 -3,-0.1 1,-0.3 -2,-0.1 0.827 73.9 -53.8 49.8 43.3 73.2 22.6 3.8 101 130 A G T 3 > - 0 0 31 90,-2.0 3,-2.2 -2,-0.3 4,-2.1 -0.915 21.4-154.0-101.4 113.4 43.8 47.6 18.3 117 146 A P T 34 S+ 0 0 34 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.807 94.4 62.9 -57.2 -27.2 42.7 50.2 15.8 118 147 A D T 34 S+ 0 0 104 107,-0.4 3,-0.2 1,-0.2 108,-0.1 0.593 112.6 35.3 -76.8 -6.8 40.5 51.8 18.5 119 148 A K T <4 S+ 0 0 123 -3,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.660 132.1 27.8-109.4 -28.2 43.6 52.6 20.5 120 149 A I S >< S- 0 0 8 -4,-2.1 3,-2.0 86,-0.1 2,-0.3 -0.809 80.0-147.3-139.3 89.2 45.9 53.4 17.7 121 150 A Q T 3 S+ 0 0 188 -2,-0.3 -3,-0.1 1,-0.3 -5,-0.0 -0.427 87.5 2.6 -65.8 123.1 44.2 54.7 14.6 122 151 A G T 3 S- 0 0 60 -2,-0.3 -1,-0.3 2,-0.0 0, 0.0 0.353 100.4-137.5 83.2 -6.7 46.1 53.5 11.5 123 152 A G < - 0 0 4 -3,-2.0 2,-0.3 -6,-0.2 -9,-0.1 -0.237 37.5 -58.3 59.8-142.1 48.5 51.6 13.7 124 153 A V - 0 0 4 -11,-0.1 -11,-0.1 1,-0.0 3,-0.1 -0.844 31.6-147.2-131.6 166.9 52.2 51.8 12.8 125 154 A K S S+ 0 0 156 -2,-0.3 107,-2.1 1,-0.2 2,-0.3 0.577 73.6 27.2-113.1 -15.0 54.0 50.9 9.6 126 155 A S S > S- 0 0 15 105,-0.3 4,-2.5 106,-0.1 -1,-0.2 -0.949 71.8-114.6-146.4 160.6 57.4 49.7 10.8 127 156 A W H > S+ 0 0 0 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.854 119.5 55.1 -59.1 -39.0 59.3 48.1 13.7 128 157 A K H > S+ 0 0 103 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.920 108.3 46.1 -63.7 -44.6 61.1 51.4 13.9 129 158 A E H > S+ 0 0 54 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.939 111.8 52.6 -63.3 -47.0 57.9 53.3 14.3 130 159 A F H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.929 114.4 42.8 -50.7 -50.3 56.6 50.8 16.8 131 160 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.963 116.8 43.9 -63.0 -53.6 59.8 51.2 18.9 132 161 A E H X S+ 0 0 72 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.870 115.0 48.2 -68.1 -37.4 60.1 55.0 18.7 133 162 A R H X>S+ 0 0 61 -4,-2.8 5,-2.0 -5,-0.3 4,-0.5 0.876 111.6 51.4 -69.4 -36.5 56.5 55.6 19.4 134 163 A T H ><5S+ 0 0 0 -4,-1.8 3,-1.4 -5,-0.4 5,-0.2 0.963 111.4 46.9 -59.3 -51.3 56.6 53.2 22.3 135 164 A V H 3<5S+ 0 0 41 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.818 106.7 57.7 -61.9 -32.8 59.6 55.0 23.8 136 165 A A H 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.614 115.7-118.4 -74.5 -11.8 58.0 58.4 23.3 137 166 A G T X<5S+ 0 0 31 -3,-1.4 3,-1.5 -4,-0.5 -3,-0.2 0.597 71.3 137.2 87.7 13.3 55.2 57.1 25.5 138 167 A E T 3 S- 0 0 12 -6,-0.5 3,-1.0 1,-0.4 -1,-0.3 0.294 100.8-143.6-102.4 8.8 51.0 54.0 23.7 140 169 A G T < - 0 0 31 -3,-1.5 -1,-0.4 1,-0.2 3,-0.2 -0.358 61.2 -36.8 62.1-144.5 51.2 54.6 27.4 141 170 A K T 3 S+ 0 0 119 1,-0.2 -1,-0.2 -3,-0.1 45,-0.0 -0.281 111.1 105.6-104.3 48.6 52.0 51.4 29.3 142 171 A Q < + 0 0 68 -3,-1.0 64,-3.2 44,-0.1 65,-1.3 0.072 45.9 113.0-118.7 23.5 49.9 49.2 27.0 143 172 A V E -jk 186 207D 0 42,-1.8 44,-2.3 -3,-0.2 45,-0.8 -0.757 44.4-165.7 -97.2 139.3 52.7 47.5 25.0 144 173 A F E -j 188 0D 0 63,-1.8 2,-0.3 -2,-0.3 45,-0.2 -0.844 6.0-170.7-117.3 162.2 53.4 43.8 25.3 145 174 A F E -j 189 0D 0 43,-2.0 45,-1.6 -2,-0.3 2,-0.1 -0.995 32.7 -85.6-153.8 150.6 56.5 41.9 24.1 146 175 A N E -j 190 0D 0 -2,-0.3 2,-0.5 43,-0.2 45,-0.1 -0.335 41.4-124.3 -57.9 127.4 57.7 38.3 23.6 147 176 A N > > - 0 0 32 43,-2.5 3,-1.7 1,-0.2 5,-0.5 -0.644 15.8-142.5 -71.3 123.4 59.3 36.8 26.7 148 177 A L G > 5S+ 0 0 2 -2,-0.5 3,-0.9 1,-0.3 7,-0.3 0.898 96.6 50.8 -54.2 -44.6 62.8 35.7 25.7 149 178 A S G 3 5S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 42,-0.1 0.411 95.5 74.3 -75.3 2.8 62.8 32.5 27.8 150 179 A S G < 5S- 0 0 33 -3,-1.7 -1,-0.2 40,-0.2 -2,-0.1 0.374 96.8-121.1-105.3 7.1 59.4 31.2 26.5 151 180 A N T < 5S+ 0 0 108 -3,-0.9 -3,-0.1 -4,-0.2 -2,-0.1 0.923 72.4 128.6 52.5 47.6 60.2 30.0 23.0 152 181 A V S S+ 0 0 63 -5,-0.1 4,-1.8 3,-0.1 5,-0.2 0.699 83.4 139.5 67.0 25.2 60.2 33.8 18.9 154 183 A G H > S+ 0 0 3 -7,-0.4 4,-2.4 1,-0.2 5,-0.2 0.921 70.3 54.5 -60.3 -46.6 61.6 36.5 21.2 155 184 A A H > S+ 0 0 8 -7,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.885 107.4 52.9 -55.1 -39.0 65.1 36.0 19.9 156 185 A E H > S+ 0 0 19 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.920 108.4 46.7 -65.1 -48.6 63.9 36.5 16.4 157 186 A V H >X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 3,-0.5 0.937 112.3 51.1 -60.0 -46.9 62.2 39.9 17.1 158 187 A L H 3X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.879 102.7 60.9 -57.9 -38.9 65.3 41.1 19.0 159 188 A S H 3X S+ 0 0 8 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.880 102.0 52.3 -54.6 -40.1 67.4 40.1 16.0 160 189 A X H S- 0 0 16 -6,-1.5 3,-2.1 3,-0.1 -1,-0.2 -0.881 74.9 -38.0 145.3-172.6 72.9 43.2 12.2 169 198 A Y T 3 S+ 0 0 44 1,-0.3 -7,-0.2 -2,-0.3 -6,-0.1 0.747 128.1 54.1 -55.5 -28.8 71.1 40.2 13.5 170 199 A G T 3 S+ 0 0 36 -8,-0.1 2,-1.6 1,-0.1 -1,-0.3 0.380 75.3 106.3 -91.3 5.5 73.9 39.2 15.8 171 200 A D <> + 0 0 39 -3,-2.1 4,-2.1 -12,-0.2 -3,-0.1 -0.616 38.7 167.0 -86.0 84.2 74.2 42.6 17.6 172 201 A I H > S+ 0 0 31 -2,-1.6 4,-2.9 2,-0.2 5,-0.2 0.801 70.6 58.2 -73.8 -29.0 72.7 41.5 20.9 173 202 A E H > S+ 0 0 98 2,-0.2 4,-3.1 -3,-0.2 -1,-0.2 0.955 110.3 43.1 -61.3 -50.9 73.8 44.7 22.7 174 203 A A H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 114.2 52.4 -60.9 -43.4 71.9 46.9 20.3 175 204 A S H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.945 115.1 39.6 -55.7 -54.2 69.0 44.4 20.4 176 205 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.877 112.5 56.5 -65.1 -39.9 68.8 44.5 24.2 177 206 A A H X S+ 0 0 36 -4,-3.1 4,-1.3 -5,-0.2 -1,-0.2 0.867 106.7 51.0 -60.3 -37.7 69.5 48.3 24.3 178 207 A T H >X S+ 0 0 4 -4,-2.2 4,-1.0 2,-0.2 3,-0.5 0.956 112.6 44.2 -63.1 -51.4 66.5 48.9 22.1 179 208 A L H 3X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-0.4 0.855 107.0 60.8 -63.3 -34.1 64.2 46.8 24.3 180 209 A E H 3< S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 101.7 53.6 -62.1 -34.6 65.6 48.5 27.4 181 210 A R H << S+ 0 0 94 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.820 114.1 42.0 -64.4 -32.7 64.4 51.8 25.9 182 211 A X H >< S+ 0 0 0 -4,-1.0 3,-2.5 -3,-0.4 4,-0.4 0.700 88.1 95.9 -87.9 -20.4 60.9 50.3 25.6 183 212 A K G >< S+ 0 0 74 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.752 75.6 58.8 -46.7 -41.4 60.9 48.5 29.0 184 213 A P G 3 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.752 109.0 46.7 -60.7 -23.5 59.0 51.2 31.0 185 214 A H G < S+ 0 0 38 -3,-2.5 -42,-1.8 -4,-0.1 2,-0.6 0.372 89.6 97.9-103.1 1.1 56.1 51.0 28.7 186 215 A I E < +j 143 0D 8 -3,-1.3 -42,-0.2 -4,-0.4 3,-0.1 -0.822 42.8 178.7 -96.3 120.9 55.8 47.2 28.6 187 216 A F E + 0 0 50 -44,-2.3 2,-0.3 -2,-0.6 -43,-0.2 0.615 68.8 25.4 -94.8 -15.1 53.2 45.7 30.9 188 217 A K E -j 144 0D 94 -45,-0.8 -43,-2.0 2,-0.0 2,-0.8 -0.952 51.2-156.7-155.8 128.2 53.7 42.1 30.0 189 218 A F E -j 145 0D 45 -2,-0.3 -43,-0.2 -45,-0.2 2,-0.1 -0.921 41.1-140.1 -98.2 105.2 56.3 39.8 28.6 190 219 A F E -j 146 0D 0 -45,-1.6 -43,-2.5 -2,-0.8 -40,-0.2 -0.306 21.2-164.3 -81.4 155.0 54.1 37.1 27.2 191 220 A T + 0 0 78 -45,-0.1 2,-0.3 -42,-0.1 -1,-0.1 0.376 64.1 57.0-120.2 -0.9 54.8 33.4 27.3 192 221 A A S > S- 0 0 41 1,-0.1 3,-1.6 -40,-0.1 -40,-0.1 -0.980 74.8-122.6-136.7 152.6 52.4 31.8 24.8 193 222 A F T 3 S+ 0 0 70 -2,-0.3 4,-0.3 1,-0.3 18,-0.3 0.792 112.5 53.7 -57.4 -32.3 51.6 32.1 21.1 194 223 A N T 3> S+ 0 0 90 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 0.558 85.6 91.7 -81.9 -7.3 48.0 32.9 21.7 195 224 A D H <> S+ 0 0 36 -3,-1.6 4,-3.2 1,-0.2 5,-0.3 0.883 76.7 55.5 -61.3 -47.2 48.9 35.8 24.1 196 225 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.938 110.5 46.5 -54.0 -44.2 48.9 38.7 21.7 197 226 A V H > S+ 0 0 22 -4,-0.3 4,-3.3 2,-0.2 5,-0.3 0.954 115.8 45.0 -62.5 -47.6 45.4 38.0 20.5 198 227 A V H X S+ 0 0 65 -4,-1.9 4,-2.3 2,-0.2 6,-0.3 0.928 113.9 48.9 -60.9 -48.0 44.1 37.6 24.1 199 228 A L H X>S+ 0 0 15 -4,-3.2 6,-2.6 1,-0.2 5,-0.6 0.920 117.1 42.8 -59.0 -44.0 45.9 40.7 25.4 200 229 A L H ><5S+ 0 0 0 -4,-2.5 3,-0.7 -5,-0.3 -2,-0.2 0.936 117.2 44.4 -67.2 -48.7 44.6 42.7 22.4 201 230 A T H 3<5S+ 0 0 54 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.739 109.3 56.1 -73.2 -23.7 41.0 41.4 22.5 202 231 A S H 3<5S- 0 0 76 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.675 110.8-122.7 -76.4 -18.4 40.7 41.6 26.3 203 232 A G T <<5S+ 0 0 39 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.319 85.2 111.2 89.7 -6.2 41.5 45.3 26.0 204 233 A E S -H 111 0D 8 -18,-0.3 4,-2.2 -2,-0.3 5,-0.2 -0.586 24.6-134.7 -88.2 142.5 51.6 36.4 14.3 212 241 A D H > S+ 0 0 1 -102,-2.1 4,-2.6 -2,-0.2 5,-0.2 0.971 102.6 41.1 -58.9 -57.3 50.0 37.1 11.0 213 242 A G H > S+ 0 0 6 61,-0.3 4,-2.4 1,-0.2 5,-0.2 0.931 116.2 48.3 -58.8 -51.1 47.8 34.0 10.8 214 243 A R H > S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 114.6 46.5 -55.9 -42.8 46.7 34.1 14.4 215 244 A T H X S+ 0 0 1 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.880 108.9 55.1 -70.8 -36.7 45.9 37.8 14.2 216 245 A F H X S+ 0 0 2 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.923 107.1 50.8 -61.2 -44.8 44.0 37.3 10.9 217 246 A I H X S+ 0 0 83 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.931 113.6 44.5 -57.5 -47.4 41.8 34.7 12.5 218 247 A A H X S+ 0 0 7 -4,-1.8 4,-1.1 1,-0.2 7,-0.3 0.903 111.1 54.0 -64.1 -42.5 41.0 37.1 15.4 219 248 A E H <>S+ 0 0 36 -4,-3.2 5,-2.8 1,-0.2 6,-0.3 0.888 112.1 45.3 -57.1 -40.9 40.5 40.0 13.0 220 249 A D H ><5S+ 0 0 70 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.903 114.5 44.8 -72.1 -43.0 37.9 37.9 11.1 221 250 A S H 3<5S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.643 118.7 45.2 -76.4 -12.2 36.0 36.6 14.1 222 251 A T T ><5S- 0 0 32 -4,-1.1 3,-0.5 -5,-0.2 -1,-0.2 0.265 108.8-119.3-118.7 5.3 36.0 40.0 15.6 223 252 A K T < 5S- 0 0 200 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.881 80.6 -39.7 51.2 44.0 35.0 42.0 12.6 224 253 A G T 3 - 0 0 3 0, 0.0 3,-2.1 0, 0.0 -105,-0.3 -0.276 5.5-125.6 -65.2 144.3 56.4 46.0 8.9 232 261 A T T 3 S+ 0 0 110 -107,-2.1 -106,-0.1 1,-0.3 3,-0.1 0.800 112.0 54.6 -60.5 -29.2 58.2 47.9 6.2 233 262 A E T 3 S- 0 0 44 1,-0.2 -1,-0.3 66,-0.0 -107,-0.1 0.579 127.1 -93.6 -76.5 -8.8 61.6 46.4 7.2 234 263 A G < - 0 0 4 -3,-2.1 -1,-0.2 64,-0.1 2,-0.2 0.015 35.0 -88.0 108.9 142.6 59.9 43.0 6.8 235 264 A A - 0 0 0 -3,-0.1 64,-3.5 -4,-0.1 2,-0.7 -0.501 41.8-118.9 -74.9 154.8 58.1 40.5 9.1 236 265 A V E -Gl 111 299D 1 -125,-2.1 -125,-3.0 62,-0.2 2,-0.3 -0.892 39.4-168.9-103.5 116.8 60.3 38.0 10.9 237 266 A S E +G 110 0D 2 62,-2.7 64,-0.4 -2,-0.7 2,-0.3 -0.765 17.1 173.1-119.3 148.8 59.3 34.5 9.9 238 267 A S E +G 109 0D 17 -129,-2.3 -129,-2.9 -2,-0.3 62,-0.0 -0.940 6.8 169.6-143.2 164.2 60.0 31.0 11.0 239 268 A G - 0 0 12 -2,-0.3 -174,-0.3 -131,-0.2 -131,-0.1 -0.989 37.6 -78.9-168.8 168.2 58.7 27.6 10.1 240 269 A P - 0 0 21 0, 0.0 -134,-2.0 0, 0.0 -133,-0.5 -0.359 45.4-127.5 -74.9 155.4 59.1 23.8 10.4 241 270 A V E -CD 63 105A 1 -178,-2.7 -178,-1.5 -136,-0.2 2,-0.4 -0.822 12.9-153.9-109.1 145.4 61.7 22.1 8.3 242 271 A X E +CD 62 104A 2 -138,-2.8 -138,-1.7 -2,-0.3 2,-0.3 -0.966 22.6 160.1-117.8 138.2 61.3 19.0 6.0 243 272 A A E -C 61 0A 0 -182,-2.3 -182,-2.9 -2,-0.4 2,-0.5 -0.993 40.1-110.4-152.7 153.9 64.1 16.6 5.1 244 273 A V E -C 60 0A 0 -166,-0.4 -166,-3.5 -2,-0.3 2,-0.5 -0.769 36.0-127.0 -87.0 125.9 64.8 13.1 3.8 245 274 A V B > -E 77 0B 4 -186,-2.2 3,-2.1 -2,-0.5 -168,-0.2 -0.611 27.0-113.9 -77.0 119.9 66.2 10.7 6.5 246 275 A K T 3 S+ 0 0 105 -170,-2.3 -1,-0.1 -2,-0.5 3,-0.1 -0.281 99.2 16.2 -53.1 129.1 69.5 9.0 5.3 247 276 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 -192,-0.1 -188,-0.0 0.413 102.2 107.3 88.4 -2.6 68.9 5.3 4.9 248 277 A G S < S- 0 0 18 -3,-2.1 2,-2.0 -189,-0.2 -1,-0.2 -0.033 99.2 -59.7 -84.8-162.4 65.2 5.4 4.9 249 278 A K > + 0 0 78 1,-0.2 4,-2.6 -244,-0.1 3,-0.3 -0.567 69.0 177.9 -79.9 77.3 63.0 4.8 1.8 250 279 A E H > + 0 0 59 -2,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.785 67.9 50.3 -63.9 -35.6 64.7 7.8 0.2 251 280 A D H > S+ 0 0 127 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 114.5 43.7 -71.6 -40.6 63.0 7.8 -3.2 252 281 A L H > S+ 0 0 38 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.906 114.2 52.2 -66.2 -40.9 59.5 7.6 -1.7 253 282 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.915 109.3 48.3 -60.4 -45.2 60.5 10.3 0.8 254 283 A K H X S+ 0 0 37 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.861 110.7 53.2 -62.7 -35.9 61.8 12.6 -1.9 255 284 A A H X S+ 0 0 43 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.919 110.4 45.7 -66.5 -44.0 58.6 12.0 -3.8 256 285 A F H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.940 113.2 49.7 -62.0 -46.6 56.5 13.0 -0.7 257 286 A X H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.918 108.2 54.1 -60.0 -41.4 58.7 16.0 -0.1 258 287 A N H < S+ 0 0 48 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.900 112.6 43.4 -59.0 -41.2 58.3 17.0 -3.8 259 288 A Y H >< S+ 0 0 27 -4,-1.9 3,-1.4 2,-0.2 6,-0.5 0.935 111.9 52.7 -68.3 -44.9 54.5 16.9 -3.4 260 289 A A H 3< S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.805 114.3 42.4 -63.3 -31.3 54.5 18.7 -0.0 261 290 A L T 3< S+ 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.430 97.0 107.7 -94.1 -2.0 56.5 21.5 -1.4 262 291 A G S <> S- 0 0 11 -3,-1.4 4,-2.5 -4,-0.2 5,-0.3 -0.262 84.4-105.2 -77.1 166.3 54.5 21.6 -4.6 263 292 A E H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.860 113.9 50.4 -62.7 -40.3 52.0 24.3 -5.6 264 293 A E H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.952 116.9 37.6 -67.3 -49.4 48.8 22.2 -4.9 265 294 A A H > S+ 0 0 0 -6,-0.5 4,-2.9 2,-0.2 5,-0.4 0.893 114.9 54.9 -71.2 -39.3 49.7 21.0 -1.4 266 295 A Q H X S+ 0 0 0 -4,-2.5 4,-2.5 -7,-0.3 5,-0.3 0.943 112.0 44.0 -59.1 -46.6 51.4 24.3 -0.4 267 296 A K H X S+ 0 0 73 -4,-2.1 4,-2.5 -5,-0.3 5,-0.3 0.949 115.8 46.6 -63.3 -48.0 48.3 26.2 -1.3 268 297 A A H X S+ 0 0 36 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.934 118.3 40.4 -63.5 -47.1 45.9 23.8 0.4 269 298 A F H X S+ 0 0 0 -4,-2.9 4,-2.0 -247,-0.3 -1,-0.2 0.950 117.9 45.9 -67.0 -48.9 47.9 23.4 3.6 270 299 A C H X>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.4 4,-1.1 0.876 111.5 51.1 -68.9 -36.4 48.8 27.1 4.0 271 300 A E H <5S+ 0 0 24 -4,-2.5 -1,-0.2 -5,-0.3 3,-0.2 0.888 111.8 48.8 -63.4 -39.3 45.3 28.4 3.2 272 301 A A H <5S+ 0 0 42 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.869 120.3 35.8 -67.3 -37.4 43.9 26.1 5.8 273 302 A X H <5S- 0 0 32 -4,-2.0 -1,-0.2 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2,-0.1 -20,-0.1 -2,-0.1 -0.964 18.6-132.4-115.5 130.1 48.5 32.3 -5.5 284 313 A Y - 0 0 47 -2,-0.5 -17,-0.0 1,-0.1 0, 0.0 -0.438 9.7-113.6 -91.4 154.6 46.2 32.9 -2.5 285 314 A S >> - 0 0 40 -2,-0.1 4,-2.8 1,-0.1 3,-1.3 -0.117 45.7 -91.4 -65.8 175.2 42.4 33.2 -2.2 286 315 A E T 34 S+ 0 0 143 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.741 121.5 69.9 -62.9 -26.0 40.7 36.4 -1.2 287 316 A K T 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.795 121.8 8.6 -63.9 -27.5 41.0 35.4 2.5 288 317 A L T X> S+ 0 0 0 -3,-1.3 4,-2.7 3,-0.1 3,-1.6 0.617 101.8 92.4-128.0 -25.1 44.8 35.9 2.5 289 318 A K T 3< S+ 0 0 120 -4,-2.8 -3,-0.1 1,-0.3 -2,-0.1 0.797 94.6 41.7 -46.0 -39.9 45.9 37.5 -0.8 290 319 A H T 34 S+ 0 0 132 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.1 0.572 126.1 27.1 -91.8 -9.6 45.7 41.0 0.5 291 320 A R T <4 S+ 0 0 50 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.1 0.688 84.5 102.0-128.1 -29.9 47.2 40.5 4.0 292 321 A L S < S- 0 0 16 -4,-2.7 3,-0.1 1,-0.1 2,-0.1 -0.400 82.1-107.5 -56.9 131.6 49.7 37.6 4.1 293 322 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.396 43.1 -94.2 -66.4 143.3 53.2 39.1 3.9 294 323 A S >> - 0 0 59 1,-0.1 4,-1.5 -3,-0.1 3,-0.9 -0.231 21.6-128.7 -60.7 140.9 54.9 38.5 0.6 295 324 A I T 34 S+ 0 0 22 1,-0.3 -1,-0.1 2,-0.2 -15,-0.1 0.831 111.4 50.7 -56.9 -31.9 57.2 35.5 0.2 296 325 A D T 34 S+ 0 0 115 1,-0.2 -1,-0.3 -16,-0.1 -2,-0.1 0.725 109.8 48.9 -80.0 -22.8 59.9 37.9 -1.1 297 326 A S T <4 S+ 0 0 40 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.721 82.6 102.6 -92.6 -25.1 59.6 40.4 1.8 298 327 A V < - 0 0 1 -4,-1.5 2,-0.4 -64,-0.2 -62,-0.2 -0.290 62.6-135.7 -69.6 148.9 59.8 38.2 4.9 299 328 A Q B -l 236 0D 49 -64,-3.5 -62,-2.7 -61,-0.0 2,-0.4 -0.880 14.2-165.0-109.1 132.7 63.0 38.0 6.9 300 329 A L - 0 0 38 -2,-0.4 2,-0.4 -64,-0.2 -62,-0.1 -0.959 14.3-138.8-116.7 133.1 64.5 34.8 8.3 301 330 A V - 0 0 10 -2,-0.4 2,-0.1 -64,-0.4 -145,-0.1 -0.737 34.2 -95.4 -93.3 137.5 67.2 34.8 10.9 302 331 A D > - 0 0 68 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.260 27.7-147.0 -51.4 118.2 70.1 32.3 10.6 303 332 A T H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.920 98.5 50.5 -54.7 -48.4 69.3 29.3 12.8 304 333 A A H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 109.6 51.9 -59.1 -39.3 73.0 28.7 13.7 305 334 A L H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 108.7 49.6 -63.2 -48.2 73.3 32.3 14.7 306 335 A L H X S+ 0 0 24 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.911 113.6 46.1 -57.1 -45.5 70.3 32.2 17.0 307 336 A I H < S+ 0 0 76 -4,-2.3 4,-0.5 1,-0.2 3,-0.5 0.919 113.4 49.3 -63.2 -44.4 71.6 29.0 18.7 308 337 A K H < S+ 0 0 161 -4,-2.4 4,-0.3 1,-0.2 3,-0.2 0.853 116.9 39.8 -66.2 -35.7 75.1 30.4 19.1 309 338 A N H X S+ 0 0 33 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.531 87.9 94.6 -93.7 -6.8 74.0 33.7 20.6 310 339 A X H X S+ 0 0 63 -4,-1.0 4,-2.8 -3,-0.5 5,-0.2 0.897 83.8 49.4 -57.8 -48.4 71.2 32.5 22.8 311 340 A S H > S+ 0 0 83 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.950 115.8 42.0 -56.2 -54.2 73.3 32.1 26.0 312 341 A A H > S+ 0 0 45 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.900 114.0 53.1 -59.9 -43.0 74.8 35.6 25.8 313 342 A L H X S+ 0 0 9 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.929 109.4 48.5 -58.2 -46.9 71.4 37.1 24.8 314 343 A L H X S+ 0 0 44 -4,-2.8 4,-3.2 -5,-0.2 -1,-0.2 0.901 110.2 52.5 -58.6 -44.6 69.8 35.5 27.8 315 344 A D H X S+ 0 0 99 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.944 111.3 45.3 -56.2 -52.9 72.5 36.9 30.1 316 345 A L H X S+ 0 0 13 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.891 113.3 52.1 -58.8 -42.2 72.1 40.4 28.7 317 346 A W H X>S+ 0 0 2 -4,-2.6 4,-3.6 1,-0.2 5,-1.2 0.971 108.8 48.1 -57.2 -55.9 68.3 40.0 29.1 318 347 A N H <5S+ 0 0 91 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.734 117.1 46.7 -59.8 -18.6 68.6 38.9 32.7 319 348 A K H <5S+ 0 0 158 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.890 129.1 16.4 -91.6 -43.5 70.9 41.9 33.3 320 349 A R H <5S+ 0 0 67 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.547 132.3 31.8-108.1 -13.0 69.1 44.7 31.6 321 350 A I T <5 0 0 11 -4,-3.6 -3,-0.2 -5,-0.3 -4,-0.1 0.826 360.0 360.0-111.0 -65.3 65.5 43.5 31.1 322 351 A A < 0 0 92 -5,-1.2 -1,-0.2 0, 0.0 -2,-0.1 -0.869 360.0 360.0-102.5 360.0 64.2 41.1 33.8