==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-MAR-12 4E1L . COMPND 2 MOLECULE: ACETOACETYL-COA THIOLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR S.M.ANDERSON,Z.WAWRZAK,M.KUDRITSKA,S.N.PETERSON,W.F.ANDERSON . 1499 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1099 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 14.9 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 . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 4 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 . 96 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 435 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.4 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 9 2 2 3 4 0 3 2 3 1 5 6 2 0 0 2 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 8 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 0 PARALLEL BRIDGES PER LADDER . 7 8 4 0 3 0 8 4 4 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 . 4 0 1 0 0 0 0 0 0 0 4 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 N 0 0 157 0, 0.0 778,-3.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 128.7 50.2 74.3 125.9 2 0 A A - 0 0 47 776,-0.3 2,-0.4 775,-0.1 0, 0.0 -0.449 360.0-118.1 -85.3 149.9 47.7 72.2 127.9 3 1 A M - 0 0 44 -2,-0.1 2,-0.1 1,-0.0 775,-0.1 -0.712 33.9-128.9 -84.3 134.2 45.5 69.3 126.7 4 2 A K - 0 0 62 101,-0.5 2,-0.4 -2,-0.4 101,-0.1 -0.451 8.5-123.4 -86.0 152.1 41.8 70.0 127.0 5 3 A D - 0 0 84 -2,-0.1 254,-2.2 99,-0.1 2,-0.5 -0.782 25.6-142.3 -88.0 136.4 39.1 67.8 128.6 6 4 A V E -A 258 0A 6 267,-0.5 267,-2.8 -2,-0.4 2,-0.3 -0.878 19.6-173.6-105.1 130.2 36.3 66.8 126.2 7 5 A V E -AB 257 272A 0 250,-3.2 250,-2.4 -2,-0.5 2,-0.6 -0.868 23.5-131.5-119.4 154.9 32.7 66.7 127.5 8 6 A I E +AB 256 271A 0 263,-2.8 262,-3.5 -2,-0.3 263,-1.7 -0.941 26.4 171.9-103.0 121.4 29.4 65.6 126.0 9 7 A V E + 0 0 1 246,-2.3 2,-0.3 -2,-0.6 247,-0.1 0.514 64.4 24.2-109.6 -10.5 26.8 68.2 126.6 10 8 A S E +A 255 0A 4 245,-0.9 245,-2.3 2,-0.0 2,-0.3 -0.984 58.8 171.8-155.8 147.9 23.9 66.8 124.5 11 9 A A E +A 254 0A 0 -2,-0.3 2,-0.3 243,-0.2 243,-0.2 -0.918 7.7 157.1-163.7 127.5 22.9 63.3 123.2 12 10 A V E -A 253 0A 0 241,-2.2 241,-2.4 -2,-0.3 2,-0.3 -0.985 15.8-163.1-150.8 154.7 19.8 62.0 121.4 13 11 A R E -Ac 252 196A 0 182,-2.6 184,-2.9 -2,-0.3 239,-0.2 -0.985 21.0-124.4-137.6 154.7 18.7 59.1 119.1 14 12 A T - 0 0 0 237,-2.5 198,-0.1 -2,-0.3 200,-0.0 -0.453 48.5 -87.5 -76.3 165.9 15.8 58.5 116.9 15 13 A P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 236,-0.3 -0.335 49.6-108.0 -58.2 161.2 13.8 55.3 117.6 16 14 A I - 0 0 3 234,-0.1 199,-2.6 328,-0.1 200,-0.7 -0.881 35.0-149.4 -98.6 124.1 15.3 52.4 115.7 17 15 A G E -D 249 0A 0 232,-3.0 232,-1.9 -2,-0.6 2,-0.1 -0.595 11.9-117.6 -92.6 150.8 13.2 51.2 112.7 18 16 A S E > -D 248 0A 24 -2,-0.2 3,-2.4 230,-0.2 5,-0.4 -0.395 48.4 -76.5 -79.3 163.8 12.8 47.7 111.3 19 17 A F T 3 S- 0 0 103 228,-0.6 -1,-0.1 1,-0.3 229,-0.1 -0.429 121.7 -0.1 -65.4 125.5 13.9 46.8 107.7 20 18 A G T 3 S+ 0 0 42 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.756 118.2 115.3 62.2 26.0 11.2 48.1 105.4 21 19 A G S X S- 0 0 14 -3,-2.4 3,-2.1 3,-0.0 4,-0.2 0.211 80.4 -29.9-102.4-137.6 9.4 49.4 108.5 22 20 A V T 3 S+ 0 0 42 1,-0.3 3,-0.4 2,-0.1 -3,-0.1 0.743 135.0 43.7 -57.6 -30.7 8.4 52.7 110.0 23 21 A F T > S+ 0 0 0 -5,-0.4 3,-1.7 1,-0.2 -1,-0.3 0.113 72.5 116.6-104.5 22.1 11.3 54.7 108.4 24 22 A K T < S+ 0 0 47 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.831 89.2 36.3 -58.3 -27.4 11.2 53.1 104.9 25 23 A N T 3 S+ 0 0 57 -3,-0.4 2,-0.6 -4,-0.2 -1,-0.3 0.194 99.4 87.0-109.8 14.9 10.3 56.6 103.7 26 24 A T S < S- 0 0 10 -3,-1.7 5,-0.1 175,-0.0 96,-0.1 -0.891 75.3-139.6-119.8 100.4 12.5 58.6 106.0 27 25 A S > - 0 0 26 -2,-0.6 4,-2.7 1,-0.1 5,-0.2 0.071 21.8-108.8 -60.4 166.4 16.0 58.9 104.6 28 26 A A H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.860 122.9 52.3 -61.3 -36.9 19.4 58.7 106.4 29 27 A V H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.907 109.9 47.1 -64.8 -42.6 19.7 62.4 105.8 30 28 A Q H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.926 112.9 48.4 -64.3 -46.3 16.3 63.1 107.3 31 29 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.915 114.5 46.5 -59.5 -44.1 16.9 60.9 110.4 32 30 A G H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.899 110.7 52.1 -65.9 -42.1 20.3 62.6 110.9 33 31 A T H X S+ 0 0 14 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.929 109.0 50.5 -61.4 -45.3 18.9 66.1 110.5 34 32 A I H X S+ 0 0 52 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.936 113.7 44.6 -58.4 -46.2 16.1 65.4 113.1 35 33 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.900 113.9 49.7 -68.0 -39.3 18.6 64.1 115.6 36 34 A V H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.955 111.3 47.6 -64.1 -49.6 21.1 67.0 114.9 37 35 A K H X S+ 0 0 106 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.896 113.8 48.5 -58.6 -40.0 18.5 69.7 115.3 38 36 A E H X S+ 0 0 57 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.889 108.6 52.7 -67.7 -39.8 17.2 68.2 118.5 39 37 A A H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.942 115.1 42.5 -58.8 -47.5 20.7 67.8 120.0 40 38 A I H ><>S+ 0 0 14 -4,-2.3 5,-2.0 1,-0.2 3,-1.0 0.944 114.2 50.4 -63.0 -51.6 21.3 71.5 119.3 41 39 A S H ><5S+ 0 0 82 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.863 100.5 62.7 -58.4 -40.0 17.8 72.6 120.5 42 40 A R H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.771 113.9 33.9 -61.4 -25.8 17.9 70.8 123.8 43 41 A V T <<5S- 0 0 37 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.231 108.4-121.7-113.8 13.1 20.9 72.8 125.0 44 42 A G T < 5 - 0 0 68 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.2 0.839 45.4-178.2 51.5 41.2 19.8 76.0 123.2 45 43 A L < - 0 0 13 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.522 27.3-125.0 -79.0 130.1 23.1 76.1 121.3 46 44 A N > - 0 0 102 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.585 15.3-134.4 -68.6 130.4 23.7 79.0 118.9 47 45 A L G > S+ 0 0 59 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.734 102.2 68.1 -57.3 -24.4 24.5 77.7 115.4 48 46 A S G 3 S+ 0 0 79 1,-0.2 -1,-0.3 29,-0.1 -2,-0.0 0.616 91.4 62.1 -74.1 -12.8 27.4 80.1 115.2 49 47 A E G < S+ 0 0 51 -3,-2.1 2,-0.4 61,-0.0 -1,-0.2 0.603 76.6 105.1 -86.3 -14.3 29.3 78.2 117.9 50 48 A I < + 0 0 4 -3,-1.0 62,-0.2 -4,-0.3 3,-0.1 -0.568 41.8 178.2 -76.2 124.5 29.5 74.9 115.9 51 49 A D - 0 0 47 60,-2.6 2,-0.3 -2,-0.4 61,-0.2 0.775 61.5 -0.9 -95.8 -32.7 33.1 74.3 114.6 52 50 A E E -e 112 0A 3 59,-1.2 61,-2.5 29,-0.2 2,-0.4 -0.996 51.5-146.2-158.6 157.1 32.7 70.9 112.9 53 51 A V E +ef 113 83A 1 29,-1.7 31,-2.5 -2,-0.3 2,-0.4 -0.998 15.3 179.4-130.7 127.7 30.3 68.1 112.1 54 52 A I E +ef 114 84A 5 59,-2.8 61,-1.7 -2,-0.4 2,-0.4 -0.949 10.3 177.3-133.9 111.4 31.5 64.4 111.9 55 53 A I E -ef 115 85A 0 29,-2.6 31,-2.6 -2,-0.4 61,-0.3 -0.954 24.3-131.4-128.8 130.1 28.9 61.8 111.1 56 54 A G E +ef 116 86A 0 59,-3.3 61,-2.5 -2,-0.4 2,-0.3 -0.503 36.5 151.2 -72.5 139.5 29.0 58.1 110.6 57 55 A N - 0 0 3 29,-2.5 32,-0.1 -2,-0.2 61,-0.1 -0.839 19.9-175.8-167.0 133.4 27.3 56.6 107.5 58 56 A V + 0 0 1 59,-0.3 2,-1.0 -2,-0.3 60,-0.1 0.888 67.0 61.3 -99.8 -48.6 28.1 53.4 105.6 59 57 A L + 0 0 15 30,-0.0 2,-0.3 73,-0.0 60,-0.2 -0.681 63.1 169.2 -95.9 95.8 25.8 53.0 102.6 60 58 A Q - 0 0 18 -2,-1.0 3,-0.1 71,-0.1 71,-0.1 -0.795 43.9-121.5-109.0 151.7 26.2 55.9 100.2 61 59 A T S S- 0 0 66 -2,-0.3 2,-0.3 66,-0.2 -1,-0.1 0.523 82.9 -46.1 -69.1 -5.3 24.8 56.3 96.6 62 60 A G S > S- 0 0 20 65,-0.1 3,-1.0 69,-0.1 -1,-0.1 -0.930 78.4 -47.4 162.6 178.2 28.4 56.8 95.3 63 61 A L T 3 S+ 0 0 115 -2,-0.3 3,-0.1 1,-0.2 772,-0.0 -0.436 113.5 40.0 -69.5 148.7 31.7 58.5 95.6 64 62 A G T 3 S+ 0 0 53 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.360 81.6 129.6 94.0 -5.5 31.6 62.2 96.2 65 63 A Q < - 0 0 55 -3,-1.0 2,-0.5 1065,-0.1 -1,-0.3 -0.704 37.0-170.9 -87.1 130.6 28.6 62.1 98.6 66 64 A N > + 0 0 36 -2,-0.4 4,-2.0 1,-0.2 3,-0.3 -0.770 9.2 173.9-121.2 82.9 29.0 63.9 101.9 67 65 A V H > S+ 0 0 5 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.886 80.0 57.2 -57.2 -40.3 26.0 62.9 103.9 68 66 A A H > S+ 0 0 0 -13,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.905 107.2 47.9 -58.9 -41.3 27.4 64.8 107.0 69 67 A R H > S+ 0 0 29 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.887 109.7 52.4 -68.4 -38.3 27.5 68.0 105.0 70 68 A Q H X S+ 0 0 75 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.925 111.7 47.4 -60.0 -45.4 23.9 67.6 103.7 71 69 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.930 110.3 51.0 -61.7 -45.7 22.8 67.1 107.2 72 70 A A H <>S+ 0 0 4 -4,-2.4 5,-2.9 2,-0.2 -1,-0.2 0.891 112.4 47.3 -62.7 -38.5 24.7 70.1 108.5 73 71 A I H ><5S+ 0 0 81 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.958 111.0 50.4 -65.5 -52.5 23.2 72.3 105.8 74 72 A N H 3<5S+ 0 0 94 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.798 108.5 54.5 -53.2 -31.2 19.6 71.0 106.5 75 73 A A T 3<5S- 0 0 4 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.485 120.0-111.6 -84.5 -2.9 20.2 71.8 110.1 76 74 A G T < 5 + 0 0 42 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.678 61.7 155.3 81.6 18.6 21.1 75.4 109.3 77 75 A I < - 0 0 6 -5,-2.9 -1,-0.3 -6,-0.2 -29,-0.1 -0.624 55.1 -93.1 -77.9 136.0 24.8 75.1 110.2 78 76 A P > - 0 0 54 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.149 26.8-125.3 -54.0 141.6 26.8 77.8 108.3 79 77 A N T 3 S+ 0 0 42 1,-0.3 -6,-0.1 -3,-0.1 -2,-0.1 0.695 106.7 69.3 -62.2 -20.4 28.4 76.6 105.0 80 78 A S T 3 S+ 0 0 62 951,-0.1 952,-2.8 2,-0.1 -1,-0.3 0.735 79.4 95.1 -69.9 -23.3 31.8 77.7 106.2 81 79 A V S < S- 0 0 13 -3,-1.9 2,-0.3 950,-0.2 -29,-0.2 -0.532 78.3-129.0 -71.6 128.0 31.7 74.8 108.8 82 80 A P - 0 0 0 0, 0.0 -29,-1.7 0, 0.0 2,-0.4 -0.606 24.4-168.0 -79.1 140.5 33.5 71.7 107.5 83 81 A S E -f 53 0A 1 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.970 1.6-163.1-128.2 144.4 31.6 68.4 107.8 84 82 A Y E -f 54 0A 5 -31,-2.5 -29,-2.6 -2,-0.4 2,-0.5 -0.988 12.2-143.1-132.2 137.1 33.0 64.9 107.3 85 83 A T E -f 55 0A 9 -2,-0.4 2,-0.6 -31,-0.2 -29,-0.2 -0.846 17.7-150.2 -98.8 128.8 31.3 61.6 106.7 86 84 A V E -f 56 0A 8 -31,-2.6 -29,-2.5 -2,-0.5 2,-0.7 -0.876 14.5-177.3-102.9 117.4 32.8 58.6 108.4 87 85 A N + 0 0 38 -2,-0.6 776,-0.1 -31,-0.2 -29,-0.1 -0.910 30.4 136.6-109.6 101.7 32.6 55.2 106.8 88 86 A K > - 0 0 38 -2,-0.7 3,-1.6 1,-0.5 4,-0.1 -0.250 60.2-127.8-132.2 40.0 34.2 52.8 109.2 89 87 A L G > S+ 0 0 26 1,-0.3 3,-1.7 2,-0.2 -1,-0.5 -0.162 82.5 5.5 50.5-127.2 31.6 50.2 108.8 90 88 A C G 3 S+ 0 0 14 1,-0.3 262,-0.4 2,-0.1 3,-0.3 0.792 136.6 45.8 -60.4 -30.5 30.2 48.9 112.1 91 89 A G G X> S+ 0 0 0 -3,-1.6 4,-2.8 1,-0.2 3,-1.0 0.360 76.1 110.6 -97.0 8.7 32.1 51.4 114.3 92 90 A S H <> S+ 0 0 0 -3,-1.7 4,-2.2 1,-0.3 -1,-0.2 0.839 76.5 52.6 -50.7 -44.6 31.4 54.6 112.2 93 91 A G H 3> S+ 0 0 0 255,-0.4 4,-0.7 -3,-0.3 -1,-0.3 0.802 116.0 38.1 -66.4 -31.6 29.2 56.2 114.8 94 92 A L H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.821 112.4 57.2 -88.0 -34.4 31.7 55.8 117.7 95 93 A K H X S+ 0 0 10 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.902 102.8 56.8 -58.2 -39.8 34.7 56.6 115.5 96 94 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.888 106.6 48.7 -57.1 -41.8 33.0 59.9 114.7 97 95 A V H X S+ 0 0 0 -4,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.927 111.5 49.6 -64.9 -45.6 32.9 60.7 118.4 98 96 A Q H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.905 111.3 48.4 -58.5 -46.2 36.5 59.8 118.8 99 97 A L H X S+ 0 0 21 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.858 110.7 52.2 -63.3 -36.5 37.6 62.0 115.9 100 98 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.922 110.2 47.7 -65.4 -43.9 35.5 64.8 117.3 101 99 A A H >X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 3,-0.8 0.908 109.7 52.6 -65.3 -43.8 37.2 64.5 120.7 102 100 A Q H 3X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.847 106.6 54.0 -55.3 -41.8 40.7 64.4 119.1 103 101 A S H 3<>S+ 0 0 0 -4,-1.5 6,-2.3 2,-0.2 5,-0.5 0.670 110.6 46.6 -71.3 -19.1 40.0 67.6 117.2 104 102 A I H X<5S+ 0 0 0 -3,-0.8 3,-1.5 -4,-0.7 -2,-0.2 0.889 111.5 49.0 -84.8 -46.2 39.0 69.4 120.4 105 103 A T H 3<5S+ 0 0 11 -4,-2.6 -101,-0.5 1,-0.3 -2,-0.2 0.810 106.9 57.5 -62.6 -30.7 42.0 68.2 122.4 106 104 A S T 3<5S- 0 0 19 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.598 114.6-118.0 -75.7 -11.6 44.3 69.3 119.5 107 105 A G T < 5S+ 0 0 31 -3,-1.5 -3,-0.1 2,-0.3 -2,-0.1 0.369 85.3 115.0 89.6 -5.5 42.9 72.8 119.8 108 106 A E S + G 0 249A 9 -2,-0.3 4,-0.6 130,-0.2 130,-0.2 -0.887 14.9 168.6-120.9 102.5 18.8 53.9 106.4 120 118 A M T 4 S+ 0 0 1 128,-0.7 3,-0.2 -2,-0.5 -1,-0.1 0.786 70.9 68.5 -83.1 -25.9 19.3 50.3 105.4 121 119 A S T 4 S+ 0 0 5 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.833 106.0 41.1 -56.1 -38.1 15.7 50.0 104.2 122 120 A Q T >> S+ 0 0 10 1,-0.2 3,-1.9 -3,-0.2 4,-0.9 0.703 93.3 86.8 -86.5 -19.9 16.4 52.3 101.3 123 121 A A H >X S+ 0 0 2 -4,-0.6 4,-2.1 1,-0.3 3,-0.5 0.809 79.1 59.1 -55.7 -38.7 19.9 51.0 100.4 124 122 A P H 34 S+ 0 0 15 0, 0.0 395,-2.8 0, 0.0 396,-0.3 0.719 112.5 42.6 -65.6 -12.7 18.8 48.2 98.0 125 123 A Y H <4 S+ 0 0 80 -3,-1.9 -2,-0.2 393,-0.2 -3,-0.1 0.620 127.4 23.1-106.9 -16.5 17.1 50.8 95.8 126 124 A I H << S+ 0 0 51 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.0 0.433 101.2 85.0-132.1 -6.3 19.6 53.7 95.7 127 125 A V S < S- 0 0 1 -4,-2.1 391,-1.2 -5,-0.3 -66,-0.2 -0.903 78.2-118.5-105.5 129.6 23.0 52.3 96.5 128 126 A P B >> -L 517 0B 9 0, 0.0 3,-2.1 0, 0.0 4,-0.9 -0.295 27.4-114.9 -60.2 144.9 25.1 50.8 93.7 129 127 A T H >> S+ 0 0 4 387,-1.7 4,-1.8 383,-0.3 3,-0.7 0.817 112.0 63.7 -52.9 -38.0 25.9 47.1 94.2 130 128 A A H 34 S+ 0 0 33 383,-2.7 709,-0.5 1,-0.3 -1,-0.3 0.672 113.7 34.6 -65.2 -18.6 29.6 47.7 94.6 131 129 A R H <4 S+ 0 0 37 -3,-2.1 -1,-0.3 382,-0.3 -2,-0.2 0.476 115.3 57.6-107.5 -5.3 28.9 49.7 97.8 132 130 A F H << S+ 0 0 5 -4,-0.9 17,-2.6 -3,-0.7 2,-0.3 0.721 115.2 1.1 -98.8 -26.1 25.9 47.6 99.0 133 131 A G E < -M 148 0C 7 -4,-1.8 706,-0.3 15,-0.2 2,-0.3 -0.916 63.6-120.0-154.3 173.4 27.4 44.2 99.3 134 132 A S E -M 147 0C 23 13,-1.4 13,-3.5 -2,-0.3 2,-0.2 -0.842 37.1 -95.6-120.4 161.5 30.6 42.1 98.8 135 133 A K E -M 146 0C 137 -2,-0.3 3,-0.3 11,-0.2 11,-0.2 -0.532 29.7-137.3 -78.1 140.5 31.3 39.1 96.6 136 134 A M S S+ 0 0 15 9,-2.3 8,-0.7 6,-0.3 -1,-0.0 -0.376 84.2 70.9 -81.6 172.1 30.9 35.6 97.8 137 135 A G + 0 0 38 6,-0.2 -1,-0.2 -2,-0.1 6,-0.1 0.532 66.3 113.8 85.3 7.4 33.6 33.1 96.9 138 136 A N 0 0 119 -3,-0.3 -2,-0.1 1,-0.2 -3,-0.0 0.529 360.0 360.0 -79.6 -10.3 35.7 35.1 99.3 139 137 A I 0 0 136 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.646 360.0 360.0 -35.6 360.0 35.6 31.9 101.3 140 ! 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 0.0 141 144 A L 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.6 29.3 27.2 94.2 142 145 A T > + 0 0 43 2,-0.1 3,-1.0 -7,-0.0 -6,-0.3 0.724 360.0 110.6 -63.6 -35.4 28.8 30.6 96.0 143 146 A D T 3 S+ 0 0 86 1,-0.2 -6,-0.2 -8,-0.1 3,-0.1 -0.173 70.8 37.0 -58.2 142.2 31.0 32.9 93.9 144 147 A G T 3 S+ 0 0 36 -8,-0.7 390,-0.9 1,-0.4 2,-0.3 0.360 93.2 112.7 94.4 1.5 29.4 35.5 91.7 145 148 A L E < - N 0 533C 8 -3,-1.0 -9,-2.3 388,-0.2 2,-0.5 -0.811 66.5-127.1-104.0 145.8 26.7 36.1 94.3 146 149 A I E -MN 135 532C 13 386,-3.1 386,-2.8 -2,-0.3 2,-0.9 -0.814 9.7-143.2 -99.2 130.4 26.4 39.4 96.2 147 150 A D E > -MN 134 531C 3 -13,-3.5 3,-2.1 -2,-0.5 -13,-1.4 -0.788 24.3-132.0 -95.3 101.5 26.3 39.3 99.9 148 151 A A E > S-M 133 0C 7 382,-1.0 3,-2.0 -2,-0.9 4,-0.3 -0.304 84.1 -9.6 -57.9 127.3 23.9 42.1 100.9 149 152 A F T 3 S- 0 0 18 -17,-2.6 -1,-0.3 1,-0.3 -16,-0.2 0.620 111.6 -85.9 61.3 12.1 25.3 44.3 103.6 150 153 A N T <> S+ 0 0 16 -3,-2.1 4,-1.8 -18,-0.2 -1,-0.3 0.732 90.7 141.2 63.1 23.5 28.2 41.8 104.1 151 154 A Q H <> + 0 0 61 -3,-2.0 4,-2.0 1,-0.2 5,-0.1 0.853 63.9 50.2 -68.8 -35.9 25.9 40.0 106.4 152 155 A Y H > S+ 0 0 56 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.904 109.4 50.9 -72.6 -40.5 26.8 36.5 105.3 153 156 A H H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.914 112.9 47.2 -60.2 -42.4 30.6 37.2 105.7 154 157 A M H X S+ 0 0 50 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.870 109.2 53.2 -68.9 -35.7 30.0 38.5 109.2 155 158 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.841 108.4 50.2 -66.2 -34.8 27.8 35.5 110.1 156 159 A I H X S+ 0 0 48 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.890 108.5 52.6 -69.3 -40.5 30.5 33.1 109.0 157 160 A T H X S+ 0 0 34 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.914 110.6 48.6 -58.0 -43.3 33.0 35.1 111.1 158 161 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.883 108.2 53.1 -64.4 -40.8 30.5 34.7 114.0 159 162 A E H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.899 108.0 51.9 -60.9 -38.8 30.2 30.9 113.4 160 163 A N H X S+ 0 0 87 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.850 108.3 50.5 -67.8 -34.9 34.0 30.7 113.5 161 164 A I H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.904 109.1 51.8 -64.3 -43.2 34.0 32.5 116.9 162 165 A A H X>S+ 0 0 4 -4,-2.3 5,-2.1 2,-0.2 4,-0.7 0.899 112.6 46.1 -60.5 -41.3 31.4 30.0 118.2 163 166 A T H ><5S+ 0 0 89 -4,-2.1 3,-0.5 3,-0.2 -2,-0.2 0.962 116.1 42.8 -65.9 -53.4 33.5 27.1 117.1 164 167 A K H 3<5S+ 0 0 111 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.878 122.8 37.8 -64.8 -39.7 36.8 28.4 118.5 165 168 A F H 3<5S- 0 0 53 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.491 108.1-124.1 -90.9 -3.2 35.3 29.6 121.8 166 169 A E T <<5 + 0 0 159 -4,-0.7 2,-0.7 -3,-0.5 -3,-0.2 0.915 47.4 164.3 59.6 49.4 32.9 26.6 122.0 167 170 A F < - 0 0 14 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.869 25.9-145.8 -94.7 119.4 29.7 28.6 122.3 168 171 A T > - 0 0 57 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.267 25.3-106.1 -78.7 168.8 26.7 26.3 121.6 169 172 A R H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.910 123.1 53.5 -55.9 -43.4 23.4 27.1 119.9 170 173 A E H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 108.3 48.1 -61.1 -42.5 21.8 27.0 123.4 171 174 A M H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 113.5 47.4 -67.2 -41.0 24.3 29.5 124.9 172 175 A Q H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.926 112.7 48.9 -66.2 -42.4 23.9 31.9 122.0 173 176 A D H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.842 107.2 56.2 -67.4 -34.1 20.1 31.6 122.2 174 177 A K H X S+ 0 0 106 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.935 108.7 46.1 -62.9 -46.2 20.2 32.2 125.9 175 178 A L H X S+ 0 0 19 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.918 113.7 49.9 -60.7 -43.6 22.1 35.5 125.4 176 179 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.941 109.5 50.8 -61.1 -48.2 19.7 36.5 122.6 177 180 A L H X S+ 0 0 19 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.923 110.8 49.1 -54.4 -46.5 16.6 35.7 124.8 178 181 A E H X S+ 0 0 63 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.844 106.1 55.9 -67.0 -32.3 18.0 37.8 127.6 179 182 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.940 111.9 44.1 -61.1 -45.8 18.7 40.8 125.3 180 183 A Q H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.903 112.2 52.4 -66.3 -41.6 15.0 40.6 124.3 181 184 A N H X S+ 0 0 61 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.917 111.4 47.2 -56.9 -46.4 14.0 40.2 128.0 182 185 A K H X S+ 0 0 55 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.902 112.7 47.7 -66.6 -42.2 16.0 43.3 128.9 183 186 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.933 111.0 52.2 -62.4 -44.3 14.7 45.4 126.1 184 187 A E H X S+ 0 0 72 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.897 111.8 45.2 -62.3 -40.9 11.1 44.4 126.9 185 188 A N H X S+ 0 0 89 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.895 113.3 50.2 -69.7 -38.6 11.4 45.4 130.5 186 189 A A H <>S+ 0 0 5 -4,-2.1 5,-3.2 2,-0.2 -2,-0.2 0.932 113.1 45.9 -63.2 -46.3 13.1 48.7 129.7 187 190 A I H ><5S+ 0 0 49 -4,-2.9 3,-1.6 3,-0.2 -2,-0.2 0.876 108.7 55.7 -65.7 -37.6 10.4 49.6 127.2 188 191 A K H 3<5S+ 0 0 163 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.892 112.1 44.4 -59.6 -37.8 7.7 48.6 129.7 189 192 A N T 3<5S- 0 0 95 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.243 113.5-120.9 -90.5 13.7 9.3 51.0 132.1 190 193 A N T X 5 + 0 0 86 -3,-1.6 3,-1.7 1,-0.1 4,-0.3 0.810 54.9 160.1 51.3 36.7 9.7 53.7 129.3 191 194 A R T 3 < + 0 0 74 -5,-3.2 3,-0.4 1,-0.3 4,-0.2 0.769 66.4 51.4 -61.6 -28.4 13.5 53.6 129.9 192 195 A F T 3> S+ 0 0 8 -6,-0.2 4,-1.9 1,-0.2 3,-0.4 0.420 77.7 102.8 -91.5 0.7 14.3 55.2 126.6 193 196 A K T <4 S+ 0 0 143 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.869 80.9 47.7 -53.1 -46.8 11.9 58.2 126.8 194 197 A E T 4 S+ 0 0 75 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.856 115.5 42.7 -64.3 -37.8 14.7 60.7 127.7 195 198 A E T 4 S+ 0 0 0 -3,-0.4 -182,-2.6 -4,-0.2 2,-0.4 0.733 95.9 91.8 -87.4 -21.3 17.1 59.8 124.9 196 199 A I B < -c 13 0A 11 -4,-1.9 -182,-0.2 -184,-0.2 -184,-0.0 -0.585 56.5-158.5 -82.3 128.2 14.6 59.3 122.1 197 200 A V - 0 0 9 -184,-2.9 -162,-0.1 -2,-0.4 -3,-0.0 -0.913 29.6-124.1 -93.2 120.1 13.7 62.1 119.7 198 201 A P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.284 20.6-147.5 -61.2 150.7 10.3 61.3 118.1 199 202 A V E -P 211 0D 1 12,-2.4 12,-3.0 2,-0.0 2,-0.3 -0.988 6.4-137.9-126.3 123.6 10.1 61.1 114.3 200 203 A D E +P 210 0D 97 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.635 26.8 177.5 -81.1 133.6 6.9 62.1 112.3 201 204 A V E -P 209 0D 17 8,-3.0 8,-3.1 -2,-0.3 2,-0.7 -0.913 32.5-117.5-130.1 159.5 6.0 59.8 109.4 202 205 A L E +P 208 0D 85 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.881 30.3 172.7 -96.2 114.8 3.1 59.7 106.9 203 206 A I E S- 0 0 60 4,-1.6 2,-0.3 -2,-0.7 -1,-0.2 0.749 71.3 -9.5 -94.4 -25.4 1.2 56.5 107.3 204 207 A R E > S-P 207 0D 63 3,-1.1 3,-1.9 0, 0.0 -1,-0.4 -0.951 97.2 -64.0-162.1 159.5 -1.6 57.4 104.9 205 208 A R T 3 S+ 0 0 95 955,-1.7 3,-0.1 -2,-0.3 954,-0.1 -0.240 122.4 10.1 -51.5 128.6 -2.7 60.5 103.0 206 209 A G T 3 S+ 0 0 72 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.684 111.1 99.0 75.2 18.7 -3.7 63.3 105.5 207 210 A K E < -P 204 0D 102 -3,-1.9 -4,-1.6 2,-0.0 -3,-1.1 -0.896 48.8-171.7-145.2 113.1 -2.4 61.4 108.5 208 211 A I E -P 202 0D 111 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.831 8.6-160.4 -99.7 134.9 0.9 61.9 110.3 209 212 A E E -P 201 0D 92 -8,-3.1 -8,-3.0 -2,-0.4 2,-0.6 -0.959 13.5-136.4-115.1 138.4 2.0 59.5 113.0 210 213 A T E -P 200 0D 71 -2,-0.4 2,-0.7 -10,-0.2 -10,-0.2 -0.815 16.1-152.3 -90.0 118.4 4.6 60.3 115.6 211 214 A I E +P 199 0D 13 -12,-3.0 -12,-2.4 -2,-0.6 3,-0.0 -0.835 34.3 149.1 -93.6 113.9 7.0 57.4 116.0 212 215 A D + 0 0 79 -2,-0.7 2,-0.4 -14,-0.2 -1,-0.1 0.328 50.8 74.9-124.1 7.1 8.5 57.4 119.6 213 216 A K S S- 0 0 93 -198,-0.1 2,-0.1 -197,-0.0 -1,-0.0 -0.952 83.8-106.6-125.0 141.0 9.1 53.7 120.2 214 217 A D - 0 0 19 -2,-0.4 -197,-0.2 1,-0.1 131,-0.1 -0.382 27.3-158.2 -60.6 136.7 11.7 51.3 118.9 215 218 A E S S+ 0 0 76 -199,-2.6 -198,-0.2 129,-0.2 -1,-0.1 0.773 73.3 66.8 -90.5 -30.5 10.2 48.9 116.3 216 219 A Y + 0 0 35 -200,-0.7 -1,-0.1 128,-0.4 128,-0.1 0.755 65.7 107.3 -76.4 -28.1 12.5 45.9 116.3 217 220 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 126,-0.1 -0.240 64.0-135.8 -56.6 137.8 12.1 44.3 119.8 218 221 A K > - 0 0 71 1,-0.0 3,-0.7 3,-0.0 -34,-0.1 -0.850 19.0-136.9-101.8 110.0 10.1 41.0 119.6 219 222 A L T 3 S+ 0 0 133 -2,-0.7 -38,-0.1 1,-0.2 -39,-0.0 -0.324 76.0 6.0 -68.5 144.9 7.5 40.8 122.4 220 223 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.2 -40,-0.1 2,-0.2 0.832 80.6 172.8 55.1 42.7 7.0 37.6 124.4 221 224 A M < - 0 0 40 -3,-0.7 2,-0.3 -44,-0.1 -1,-0.2 -0.548 11.9-159.7 -79.6 147.8 9.9 35.6 122.9 222 225 A T > - 0 0 77 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.857 30.6-118.4-125.9 162.8 10.7 32.2 124.4 223 226 A F H > S+ 0 0 77 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.875 115.4 55.9 -64.0 -38.3 13.7 29.9 124.5 224 227 A E H > S+ 0 0 136 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.923 105.9 51.2 -60.2 -44.6 11.6 27.2 122.8 225 228 A G H >> S+ 0 0 28 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.920 110.0 47.6 -60.1 -48.2 10.9 29.6 119.9 226 229 A L H >< S+ 0 0 2 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.838 106.1 60.3 -59.8 -36.0 14.5 30.5 119.3 227 230 A S H 3< S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.693 99.8 57.2 -66.4 -21.5 15.4 26.8 119.4 228 231 A K H << S+ 0 0 136 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.725 82.6 108.3 -83.4 -22.4 13.2 26.2 116.4 229 232 A L << - 0 0 71 -3,-0.8 3,-0.1 -4,-0.6 -3,-0.0 -0.161 69.2-120.1 -61.3 149.7 14.9 28.6 114.1 230 233 A K - 0 0 169 1,-0.1 11,-0.5 2,-0.0 -1,-0.1 -0.589 35.8 -92.0 -87.2 147.3 17.0 27.4 111.2 231 234 A P B -Q 240 0E 36 0, 0.0 9,-0.3 0, 0.0 -1,-0.1 -0.334 34.8-154.3 -55.2 142.4 20.8 28.2 110.9 232 235 A A S S+ 0 0 43 7,-2.9 297,-0.2 -77,-0.1 8,-0.2 0.748 78.7 13.6 -95.5 -27.6 21.2 31.4 108.8 233 236 A F S S+ 0 0 18 6,-0.7 2,-0.4 1,-0.3 7,-0.1 0.596 121.0 38.4-127.6 -17.3 24.6 31.1 107.3 234 237 A K S > S- 0 0 82 5,-0.3 3,-1.7 -79,-0.1 -1,-0.3 -0.993 78.9-112.5-146.4 129.2 26.0 27.6 107.6 235 238 A K T 3 S+ 0 0 182 -2,-0.4 3,-0.1 1,-0.3 -3,-0.1 -0.406 110.7 10.9 -61.0 136.2 24.4 24.1 107.4 236 239 A D T 3 S+ 0 0 143 1,-0.1 -1,-0.3 -2,-0.1 2,-0.1 0.859 106.0 145.0 55.5 36.0 24.4 22.6 110.9 237 240 A G < - 0 0 11 -3,-1.7 -1,-0.1 2,-0.1 -68,-0.1 -0.201 53.3-139.8 -89.5-172.5 25.5 26.0 112.1 238 241 A T S S+ 0 0 31 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.1 0.507 72.4 93.8-125.2 -19.0 24.6 27.8 115.3 239 242 A V + 0 0 0 -84,-0.1 -7,-2.9 -5,-0.1 -6,-0.7 -0.701 52.0 169.2 -84.1 123.9 24.0 31.4 114.2 240 243 A T B > -Q 231 0E 0 -2,-0.5 3,-0.6 -9,-0.3 4,-0.1 -0.766 52.6-100.8-124.7 173.5 20.4 32.2 113.4 241 244 A A T 3 S+ 0 0 70 -11,-0.5 3,-0.2 -2,-0.2 -2,-0.0 0.663 122.3 58.5 -66.0 -15.2 18.3 35.2 112.6 242 245 A G T 3 S+ 0 0 2 1,-0.2 -1,-0.2 -16,-0.2 -16,-0.1 0.731 108.4 40.1 -86.7 -25.6 17.2 34.9 116.3 243 246 A N S < S+ 0 0 0 -3,-0.6 75,-2.9 -17,-0.1 76,-0.3 0.079 110.5 67.2-112.4 23.2 20.6 35.2 117.8 244 247 A A B S-R 317 0F 3 -3,-0.2 73,-0.2 73,-0.2 72,-0.1 -0.921 87.1-104.9-129.4 159.1 21.9 37.9 115.5 245 248 A S - 0 0 10 71,-2.8 97,-0.2 -2,-0.3 2,-0.1 -0.108 37.9-117.5 -71.6-179.5 20.8 41.5 115.1 246 249 A G - 0 0 12 95,-0.6 2,-0.5 -4,-0.1 -1,-0.1 -0.252 26.0 -89.5-105.6-166.6 18.7 42.8 112.2 247 250 A I + 0 0 27 -2,-0.1 -228,-0.6 98,-0.1 2,-0.3 -0.955 62.8 171.9-108.1 126.9 19.0 45.3 109.3 248 251 A N E -D 18 0A 0 98,-0.6 -128,-0.7 -2,-0.5 2,-0.4 -0.908 34.7-132.6-147.8 162.3 17.7 48.6 110.7 249 252 A D E +DG 17 119A 0 -232,-1.9 -232,-3.0 -2,-0.3 2,-0.3 -0.944 45.7 103.0-121.1 139.0 17.2 52.3 110.3 250 253 A G E - G 0 118A 0 -132,-2.3 -132,-1.8 -2,-0.4 2,-0.3 -0.915 41.8-132.1 166.6 169.5 18.0 55.1 112.8 251 254 A A E - G 0 117A 2 -236,-0.3 -237,-2.5 -2,-0.3 2,-0.3 -0.965 9.0-169.3-141.4 157.8 20.3 57.9 113.8 252 255 A A E -AG 13 116A 0 -136,-2.6 -136,-2.4 -2,-0.3 2,-0.4 -0.973 9.0-172.8-150.9 136.1 22.1 59.2 117.0 253 256 A M E -AG 12 115A 0 -241,-2.4 -241,-2.2 -2,-0.3 2,-0.3 -0.976 5.1-174.2-136.3 141.2 23.9 62.4 117.6 254 257 A L E -AG 11 114A 0 -140,-3.7 -140,-3.0 -2,-0.4 2,-0.5 -0.949 18.1-138.1-129.9 153.0 26.0 63.9 120.3 255 258 A I E -AG 10 113A 0 -245,-2.3 -246,-2.3 -2,-0.3 -245,-0.9 -0.964 21.0-164.1-113.5 124.6 27.5 67.4 120.9 256 259 A L E +AG 8 112A 0 -144,-3.3 -144,-2.5 -2,-0.5 2,-0.3 -0.817 13.0 166.3-108.0 146.8 31.1 67.6 122.2 257 260 A M E -AG 7 111A 0 -250,-2.4 -250,-3.2 -2,-0.3 2,-0.2 -0.960 41.2 -98.3-146.1 162.3 32.9 70.5 123.7 258 261 A S E > -A 6 0A 2 -148,-1.3 4,-2.5 -2,-0.3 -252,-0.2 -0.588 40.6-116.5 -73.9 149.7 36.0 71.3 125.7 259 262 A Q H > S+ 0 0 60 -254,-2.2 4,-2.4 1,-0.2 5,-0.2 0.908 118.5 53.9 -51.9 -41.9 35.2 71.7 129.4 260 263 A Q H > S+ 0 0 132 -255,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.881 108.0 48.2 -61.7 -40.3 36.3 75.3 129.1 261 264 A K H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 6,-0.2 0.933 110.3 50.6 -68.6 -46.6 33.9 76.0 126.2 262 265 A A H X>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-1.3 0.929 111.8 49.1 -53.4 -47.2 30.9 74.4 128.0 263 266 A D H ><5S+ 0 0 85 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.926 109.9 51.2 -58.3 -47.7 31.7 76.5 131.0 264 267 A E H 3<5S+ 0 0 123 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 114.5 43.5 -54.0 -44.6 31.9 79.6 128.9 265 268 A L H 3<5S- 0 0 54 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.626 110.5-120.6 -81.2 -15.3 28.5 78.8 127.3 266 269 A G T <<5 + 0 0 42 -4,-1.3 2,-0.5 -3,-0.5 -3,-0.2 0.658 64.3 141.8 83.1 19.0 26.9 77.9 130.6 267 270 A I < - 0 0 21 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.807 46.3-135.6-100.7 128.5 26.1 74.4 129.4 268 271 A R - 0 0 167 -2,-0.5 2,-0.1 -259,-0.1 -5,-0.0 -0.681 22.5-117.8 -89.0 132.4 26.4 71.5 131.8 269 272 A P - 0 0 49 0, 0.0 -260,-0.3 0, 0.0 3,-0.1 -0.353 12.2-159.2 -67.4 142.3 28.1 68.3 130.7 270 273 A L S S- 0 0 36 -262,-3.5 2,-0.3 1,-0.3 -261,-0.2 0.732 79.1 -13.6 -85.4 -32.3 26.2 65.0 130.5 271 274 A A E -B 8 0A 3 -263,-1.7 -263,-2.8 118,-0.1 2,-0.4 -0.974 62.4-126.3-161.0 169.0 29.4 63.1 130.6 272 275 A K E -BH 7 388A 53 116,-2.7 116,-2.3 -2,-0.3 2,-0.7 -0.944 25.3-121.3-122.9 143.1 33.2 63.4 130.2 273 276 A I E + H 0 387A 12 -267,-2.8 -267,-0.5 -2,-0.4 114,-0.2 -0.785 31.4 175.1 -88.0 119.1 35.4 61.4 127.9 274 277 A K E - 0 0 90 112,-2.4 2,-0.3 -2,-0.7 113,-0.2 0.872 58.8 -29.5 -91.8 -46.2 38.0 59.7 130.0 275 278 A S E - H 0 386A 13 111,-1.5 111,-2.6 2,-0.0 -1,-0.3 -0.983 50.8-169.5-161.3 167.5 39.8 57.6 127.4 276 279 A Y E + H 0 385A 22 -2,-0.3 2,-0.3 109,-0.2 109,-0.2 -0.974 9.1 170.6-155.5 162.1 39.5 55.7 124.1 277 280 A A E - H 0 384A 0 107,-2.2 107,-2.6 -2,-0.3 2,-0.3 -0.980 16.8-149.1-162.5 160.9 41.5 53.3 122.0 278 281 A S E + H 0 383A 0 -2,-0.3 2,-0.3 105,-0.2 105,-0.2 -0.963 17.4 179.7-133.7 158.1 41.3 51.1 119.0 279 282 A A E - H 0 382A 5 103,-1.9 103,-2.5 -2,-0.3 2,-0.2 -0.994 21.2-128.7-153.7 154.8 43.1 47.8 118.3 280 283 A G E - H 0 381A 3 576,-2.5 2,-0.3 -2,-0.3 101,-0.3 -0.632 23.0-143.2 -99.7 162.9 43.5 45.1 115.6 281 284 A V - 0 0 8 99,-2.3 5,-0.1 -2,-0.2 8,-0.1 -0.817 25.6 -92.6-121.3 164.6 43.2 41.3 116.2 282 285 A E > - 0 0 87 -2,-0.3 3,-1.7 1,-0.1 -1,-0.0 -0.447 39.9-114.5 -68.4 149.1 44.9 38.2 114.8 283 286 A P G > S+ 0 0 77 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.685 112.1 69.5 -62.8 -17.5 43.1 36.7 111.8 284 287 A E G 3 S+ 0 0 127 1,-0.2 -120,-0.1 -120,-0.0 -2,-0.0 0.747 107.7 35.8 -67.5 -27.3 42.4 33.6 113.9 285 288 A V G X S+ 0 0 33 -3,-1.7 3,-1.6 95,-0.1 -1,-0.2 -0.340 81.2 172.3-124.7 49.6 39.9 35.6 116.0 286 289 A M T < + 0 0 66 -3,-0.8 94,-0.2 1,-0.2 93,-0.1 -0.317 66.9 31.8 -57.5 139.9 38.3 38.0 113.5 287 290 A G T 3 S+ 0 0 4 92,-2.7 -1,-0.2 91,-0.1 93,-0.1 0.343 89.5 99.3 94.5 -5.6 35.4 39.9 115.0 288 291 A T X + 0 0 7 -3,-1.6 3,-2.3 91,-0.2 -2,-0.1 0.249 40.8 124.7 -97.8 13.4 36.8 40.0 118.5 289 292 A G T 3> + 0 0 0 90,-0.3 4,-2.0 92,-0.3 93,-0.5 0.735 60.0 65.9 -40.6 -44.0 38.1 43.6 118.1 290 293 A P H 3> S+ 0 0 6 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.739 93.8 64.8 -56.9 -23.1 36.3 45.1 121.1 291 294 A I H <> S+ 0 0 10 -3,-2.3 4,-2.4 2,-0.2 5,-0.2 0.996 109.3 31.8 -68.0 -62.8 38.3 42.9 123.5 292 295 A P H > S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.889 119.2 56.0 -65.3 -33.3 41.9 44.3 122.9 293 296 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 -14,-0.2 91,-0.2 0.925 110.4 44.8 -57.5 -45.5 40.4 47.8 122.2 294 297 A T H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.922 111.4 51.3 -68.3 -43.2 38.7 47.8 125.6 295 298 A R H X S+ 0 0 121 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 113.7 47.2 -57.2 -39.8 41.7 46.4 127.5 296 299 A K H X S+ 0 0 68 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.913 113.2 46.2 -71.3 -42.6 43.8 49.2 125.8 297 300 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.881 113.6 49.9 -66.2 -39.5 41.2 51.9 126.6 298 301 A L H <>S+ 0 0 12 -4,-3.0 5,-2.9 2,-0.2 4,-0.5 0.921 110.5 49.5 -64.6 -45.6 40.9 50.7 130.2 299 302 A K H ><5S+ 0 0 178 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.871 107.9 54.2 -60.7 -40.9 44.7 50.6 130.7 300 303 A K H 3<5S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.868 111.9 45.2 -58.6 -38.5 44.9 54.2 129.3 301 304 A A T 3<5S- 0 0 23 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.502 112.7-119.9 -85.0 -5.5 42.4 55.2 131.9 302 305 A G T < 5S+ 0 0 66 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.868 73.9 122.2 65.8 38.3 44.2 53.3 134.7 303 306 A L < - 0 0 36 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.3 -0.846 51.4-147.8-126.5 161.2 41.1 51.3 135.3 304 307 A S > - 0 0 53 -2,-0.3 3,-1.5 -3,-0.1 4,-0.2 -0.751 41.9 -95.7-116.3 173.7 40.0 47.6 135.2 305 308 A I G > S+ 0 0 20 1,-0.3 3,-1.3 -2,-0.3 23,-0.0 0.766 121.6 64.0 -62.2 -25.9 36.7 46.2 134.2 306 309 A N G 3 S+ 0 0 123 1,-0.3 -1,-0.3 24,-0.1 23,-0.0 0.746 95.1 60.2 -71.4 -20.6 35.5 46.1 137.9 307 310 A D G < S+ 0 0 77 -3,-1.5 2,-0.6 2,-0.0 -1,-0.3 0.533 87.5 92.6 -79.3 -7.8 35.8 49.9 137.9 308 311 A I < - 0 0 0 -3,-1.3 63,-0.2 -4,-0.2 3,-0.1 -0.799 55.2-169.5 -97.4 122.1 33.2 50.1 135.2 309 312 A D S S+ 0 0 52 61,-1.7 2,-0.4 -2,-0.6 62,-0.2 0.864 72.8 16.5 -76.9 -39.1 29.6 50.5 136.3 310 313 A L E -i 371 0A 6 60,-1.3 62,-1.9 2,-0.0 2,-0.4 -1.000 64.5-162.0-140.9 138.3 27.9 50.0 133.0 311 314 A I E -ij 372 335A 2 23,-3.2 25,-2.8 -2,-0.4 2,-0.5 -0.975 6.1-167.3-122.4 132.3 29.0 48.5 129.7 312 315 A E E +i 373 0A 5 60,-3.1 62,-2.5 -2,-0.4 2,-0.5 -0.968 14.9 171.1-112.0 110.9 27.5 48.8 126.2 313 316 A A E -i 374 0A 9 -2,-0.5 62,-0.2 60,-0.2 -2,-0.1 -0.981 39.3-115.6-118.3 115.4 29.0 46.3 123.8 314 317 A N - 0 0 25 60,-1.9 2,-0.9 -2,-0.5 3,-0.3 -0.238 21.6-143.4 -58.4 137.1 27.2 46.2 120.5 315 318 A E + 0 0 4 1,-0.2 3,-0.2 30,-0.1 30,-0.1 -0.636 41.3 148.6-106.6 74.3 25.5 42.8 119.9 316 319 A A S S+ 0 0 28 -2,-0.9 -71,-2.8 1,-0.3 2,-0.3 0.918 81.6 8.5 -66.2 -42.1 25.8 42.1 116.2 317 320 A F B > -R 244 0F 11 -3,-0.3 4,-2.4 -73,-0.2 -1,-0.3 -0.999 65.5-135.4-141.4 138.8 25.9 38.4 117.0 318 321 A A H > S+ 0 0 0 -75,-2.9 4,-2.7 -2,-0.3 5,-0.2 0.881 107.9 59.3 -59.7 -37.8 25.4 36.5 120.3 319 322 A A H > S+ 0 0 0 -76,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.930 111.1 39.9 -55.8 -47.7 28.5 34.4 119.5 320 323 A Q H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.852 112.8 55.9 -70.8 -35.3 30.6 37.5 119.4 321 324 A A H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.887 106.2 51.4 -64.0 -38.6 28.8 39.0 122.3 322 325 A L H X S+ 0 0 12 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.898 108.9 50.6 -64.5 -41.1 29.6 35.9 124.4 323 326 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.923 112.6 45.9 -62.3 -46.9 33.3 36.2 123.5 324 327 A V H X S+ 0 0 10 -4,-2.1 4,-1.8 2,-0.2 6,-0.2 0.921 115.1 47.2 -61.4 -46.0 33.5 39.8 124.5 325 328 A K H X>S+ 0 0 38 -4,-2.5 5,-2.2 -5,-0.2 4,-0.6 0.917 117.1 41.9 -64.6 -44.0 31.6 39.2 127.7 326 329 A N H <5S+ 0 0 84 -4,-2.6 3,-0.3 3,-0.2 -2,-0.2 0.899 115.8 46.9 -72.5 -43.0 33.7 36.2 128.7 327 330 A E H <5S+ 0 0 85 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.797 118.3 41.5 -74.1 -27.2 37.2 37.5 127.8 328 331 A L H <5S- 0 0 11 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.521 106.0-129.1 -93.4 -6.8 36.6 40.9 129.4 329 332 A Q T <5 + 0 0 158 -4,-0.6 2,-0.5 -3,-0.3 -3,-0.2 0.914 40.8 175.9 59.2 46.7 34.9 39.3 132.5 330 333 A I < - 0 0 9 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.2 -0.743 30.5-123.1 -87.1 124.7 31.9 41.5 132.3 331 334 A D >> - 0 0 99 -2,-0.5 3,-2.6 1,-0.1 4,-0.6 -0.464 16.6-125.9 -66.4 132.5 29.2 40.7 134.9 332 335 A S G >4 S+ 0 0 80 1,-0.3 3,-0.8 -2,-0.2 -1,-0.1 0.786 107.9 63.0 -46.3 -34.7 25.8 40.0 133.3 333 336 A S G 34 S+ 0 0 74 1,-0.2 -1,-0.3 -23,-0.0 -2,-0.0 0.598 106.5 42.3 -72.6 -13.1 24.3 42.7 135.5 334 337 A K G <4 S+ 0 0 56 -3,-2.6 -23,-3.2 -24,-0.1 2,-0.5 0.444 94.0 96.3-110.6 -3.8 26.3 45.5 134.0 335 338 A L B << S-j 311 0A 13 -3,-0.8 -23,-0.2 -4,-0.6 4,-0.2 -0.813 104.6 -30.0-106.5 121.8 26.1 44.6 130.3 336 339 A N S > S- 0 0 2 -25,-2.8 3,-2.5 -2,-0.5 -1,-0.2 0.889 73.8-177.4 44.6 54.3 23.6 46.1 127.8 337 340 A V T 3 S+ 0 0 19 -3,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.702 76.0 44.2 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