==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-JAN-11 3QGI . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS SUBTYPE 1A; . AUTHOR S.SHERIFF . 561 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 11.6 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 25 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 3 2 0 2 1 1 2 1 2 2 0 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 1 2 2 1 3 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 3 0 2 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 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 S 0 0 61 0, 0.0 55,-0.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 155.5 -8.3 8.5 36.3 2 2 A M B -A 55 0A 76 53,-0.2 53,-0.2 1,-0.1 3,-0.1 -0.577 360.0-132.0 -71.2 137.2 -4.7 8.7 35.0 3 3 A S S S+ 0 0 0 51,-2.6 274,-2.9 -2,-0.2 2,-0.3 0.875 90.1 6.5 -57.2 -38.3 -3.2 12.2 35.5 4 4 A Y E -B 276 0B 11 272,-0.2 2,-0.4 273,-0.1 272,-0.2 -0.974 59.2-157.7-141.8 154.4 -2.0 11.9 31.8 5 5 A S E -B 275 0B 47 270,-2.1 270,-2.6 -2,-0.3 2,-0.3 -0.983 24.1-153.3-127.9 133.6 -2.4 9.6 28.8 6 6 A W E -B 274 0B 69 -2,-0.4 268,-0.3 268,-0.2 267,-0.1 -0.876 19.4-156.5-115.2 154.9 0.3 9.8 26.1 7 7 A T - 0 0 75 266,-2.1 267,-0.1 -2,-0.3 3,-0.1 0.554 48.7-107.0 -98.4 -16.7 0.5 9.1 22.3 8 8 A G S S+ 0 0 64 265,-0.5 2,-0.1 1,-0.5 265,-0.1 0.206 79.9 128.0 102.0 -15.5 4.2 8.5 21.8 9 9 A A - 0 0 24 263,-0.4 -1,-0.5 264,-0.1 -2,-0.2 -0.476 62.1-116.8 -68.8 147.4 4.7 11.9 20.0 10 10 A L - 0 0 99 -2,-0.1 2,-0.6 -3,-0.1 261,-0.1 -0.503 14.3-108.7 -87.3 161.9 7.6 13.6 21.7 11 11 A V - 0 0 7 31,-0.2 34,-0.2 -2,-0.1 35,-0.1 -0.782 51.6-159.4 -82.2 117.2 7.7 16.9 23.7 12 12 A T - 0 0 4 -2,-0.6 256,-0.5 126,-0.3 128,-0.2 -0.782 10.8-120.2-106.4 151.1 9.6 19.0 21.1 13 13 A P - 0 0 37 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.260 3.7-148.0 -79.4 172.3 11.6 22.2 21.4 14 14 A C S S+ 0 0 86 1,-0.3 2,-0.2 2,-0.1 3,-0.1 0.751 84.0 9.2-100.5 -44.2 10.9 25.5 19.5 15 15 A A S S- 0 0 64 1,-0.1 -1,-0.3 0, 0.0 0, 0.0 -0.759 104.4 -65.0-128.5 171.0 14.6 26.6 19.2 16 16 A A - 0 0 105 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.1 -0.274 50.4-141.2 -59.3 144.5 18.0 24.9 19.9 17 17 A E - 0 0 27 -3,-0.1 2,-0.3 -4,-0.0 -1,-0.1 -0.943 4.2-143.4-118.6 115.1 18.5 24.1 23.6 18 18 A E - 0 0 77 -2,-0.5 21,-0.0 1,-0.1 3,-0.0 -0.540 16.8-178.2 -73.9 132.2 21.9 24.6 25.2 19 19 A Q + 0 0 84 -2,-0.3 20,-2.3 19,-0.1 2,-0.3 0.780 60.5 63.1 -98.3 -37.6 22.7 21.8 27.8 20 20 A K B S-F 38 0C 154 18,-0.2 18,-0.2 1,-0.1 15,-0.1 -0.698 93.6 -99.8 -97.4 144.8 26.1 22.9 29.0 21 21 A L - 0 0 9 16,-1.3 16,-0.1 13,-0.6 -1,-0.1 -0.459 41.9-129.6 -59.0 116.3 27.0 26.1 30.8 22 22 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 377,-0.1 -0.345 24.1-129.1 -65.2 151.1 28.5 28.5 28.2 23 23 A I + 0 0 100 376,-0.1 2,-0.3 4,-0.1 3,-0.0 -0.903 37.2 152.5-112.7 136.1 31.8 30.0 29.2 24 24 A N > - 0 0 53 -2,-0.4 4,-2.8 1,-0.0 5,-0.2 -0.924 54.4-104.6-143.0 159.8 33.0 33.6 29.2 25 25 A A H > S+ 0 0 85 -2,-0.3 4,-1.4 1,-0.2 374,-0.1 0.885 118.3 48.4 -54.9 -44.3 35.6 35.3 31.4 26 26 A L H > S+ 0 0 53 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.916 113.2 45.1 -67.5 -40.5 33.0 37.1 33.5 27 27 A S H >> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 3,-1.2 0.930 112.4 53.3 -67.7 -38.7 30.8 34.0 34.2 28 28 A N H 3< S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.791 99.2 63.5 -62.4 -28.3 34.0 32.0 34.9 29 29 A S H 3< S+ 0 0 53 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.765 110.8 39.0 -70.3 -20.4 35.1 34.7 37.5 30 30 A L H << S+ 0 0 0 -3,-1.2 2,-0.4 -4,-0.7 -2,-0.2 0.886 134.3 9.0 -89.0 -48.1 32.0 33.7 39.5 31 31 A L < + 0 0 2 -4,-2.2 -1,-0.3 462,-0.2 462,-0.2 -0.974 52.4 179.4-144.9 124.2 32.1 29.9 39.0 32 32 A R + 0 0 123 460,-2.1 2,-2.0 -2,-0.4 3,-0.2 0.683 68.3 80.6 -98.2 -23.2 34.8 27.8 37.4 33 33 A H > + 0 0 82 458,-2.3 3,-1.9 1,-0.2 4,-0.3 -0.416 53.9 160.0 -85.9 64.5 33.5 24.2 37.6 34 34 A H G > + 0 0 53 -2,-2.0 3,-1.4 1,-0.3 -13,-0.6 0.738 61.6 67.8 -58.6 -28.8 31.3 24.7 34.5 35 35 A N G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.639 94.5 58.9 -70.1 -13.3 30.9 21.0 33.8 36 36 A L G < S+ 0 0 51 -3,-1.9 111,-2.8 455,-0.1 2,-0.5 0.624 93.7 79.9 -84.9 -15.3 28.8 20.7 37.0 37 37 A V E < + G 0 146C 4 -3,-1.4 -16,-1.3 -4,-0.3 2,-0.3 -0.832 58.5 162.8-100.2 128.6 26.2 23.2 35.7 38 38 A Y E -FG 20 145C 11 107,-2.5 107,-2.5 -2,-0.5 2,-0.4 -0.950 31.9-131.6-137.7 162.7 23.6 22.1 33.2 39 39 A S E - G 0 144C 9 -20,-2.3 105,-0.2 -2,-0.3 2,-0.1 -0.909 27.5-121.8-109.9 141.0 20.2 23.2 31.8 40 40 A T + 0 0 4 103,-2.7 2,-0.3 -2,-0.4 -22,-0.0 -0.473 39.2 178.9 -72.7 151.4 17.2 20.8 31.5 41 41 A T > - 0 0 5 101,-0.1 3,-1.8 -2,-0.1 115,-0.5 -0.902 48.0 -85.9-143.7 175.7 16.0 20.4 27.9 42 42 A S G > S+ 0 0 19 1,-0.3 3,-1.8 -2,-0.3 4,-0.4 0.676 112.1 83.4 -59.1 -18.4 13.3 18.5 25.9 43 43 A R G 3 S+ 0 0 153 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.764 96.6 39.9 -58.9 -25.9 15.8 15.6 25.7 44 44 A S G <> S+ 0 0 32 -3,-1.8 4,-1.7 1,-0.1 -1,-0.3 0.239 82.4 105.6-106.8 11.3 14.7 14.5 29.3 45 45 A A H <> S+ 0 0 2 -3,-1.8 4,-2.8 1,-0.2 5,-0.2 0.893 77.1 57.3 -58.5 -40.6 10.9 15.2 28.8 46 46 A C H > S+ 0 0 55 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.903 104.6 51.5 -57.2 -43.5 10.2 11.4 28.5 47 47 A Q H > S+ 0 0 59 -3,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.910 111.9 46.6 -60.5 -43.6 11.8 10.8 32.0 48 48 A R H >X S+ 0 0 23 -4,-1.7 4,-2.0 1,-0.2 3,-0.5 0.926 105.8 59.5 -64.8 -42.3 9.6 13.5 33.5 49 49 A Q H 3X S+ 0 0 8 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.870 102.8 53.3 -52.3 -40.9 6.4 12.1 31.8 50 50 A K H 3< S+ 0 0 138 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.874 110.8 45.7 -65.0 -37.3 6.9 8.8 33.6 51 51 A K H << S+ 0 0 123 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.833 114.2 46.8 -74.6 -34.8 7.1 10.4 37.0 52 52 A V H < S+ 0 0 9 -4,-2.0 2,-0.6 1,-0.0 -1,-0.2 0.473 95.3 87.9 -87.7 -5.9 4.1 12.8 36.5 53 53 A T < + 0 0 35 -4,-0.7 2,-0.3 -3,-0.3 -51,-0.1 -0.884 55.6 119.9-101.6 117.3 1.8 10.0 35.1 54 54 A F - 0 0 26 -2,-0.6 -51,-2.6 171,-0.1 -50,-0.1 -0.982 60.1 -94.5-166.2 161.8 -0.2 8.0 37.7 55 55 A D B -A 2 0A 107 -2,-0.3 2,-0.4 -53,-0.2 -53,-0.2 -0.397 40.5-129.5 -76.2 157.8 -3.6 7.0 38.8 56 56 A R - 0 0 22 -55,-0.8 2,-0.5 -2,-0.1 170,-0.0 -0.926 9.8-154.2-117.2 139.7 -5.3 9.1 41.6 57 57 A L + 0 0 97 -2,-0.4 2,-0.4 286,-0.2 289,-0.2 -0.967 19.3 175.9-106.1 120.0 -6.8 7.7 44.8 58 58 A Q + 0 0 48 -2,-0.5 2,-0.5 287,-0.1 287,-0.2 -0.891 12.7 159.3-135.7 110.8 -9.5 10.0 46.2 59 59 A V - 0 0 84 285,-3.1 2,-0.3 -2,-0.4 287,-0.1 -0.964 22.5-161.1-124.5 106.6 -11.6 9.2 49.2 60 60 A L - 0 0 60 -2,-0.5 2,-0.2 285,-0.1 -2,-0.0 -0.665 11.0-175.0 -91.3 144.7 -13.1 12.2 50.9 61 61 A D > - 0 0 46 -2,-0.3 4,-2.3 284,-0.0 3,-0.2 -0.657 44.4 -80.6-126.6-174.7 -14.4 12.0 54.5 62 62 A S H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.795 124.5 57.9 -61.0 -36.0 -16.2 14.2 57.0 63 63 A H H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.920 110.4 44.7 -62.1 -42.7 -12.9 16.1 58.0 64 64 A Y H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.933 113.8 49.2 -63.7 -47.9 -12.5 17.1 54.3 65 65 A Q H X S+ 0 0 79 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.876 108.5 54.0 -62.9 -35.3 -16.2 18.1 54.0 66 66 A D H X S+ 0 0 84 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.916 110.8 45.5 -63.1 -45.0 -16.1 20.2 57.2 67 67 A V H X S+ 0 0 7 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.916 110.2 53.8 -66.5 -43.2 -13.2 22.2 55.9 68 68 A L H X S+ 0 0 10 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.919 106.6 52.2 -59.9 -40.9 -14.8 22.7 52.4 69 69 A K H X S+ 0 0 145 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.893 110.1 49.0 -59.3 -43.4 -18.0 24.1 54.0 70 70 A E H X S+ 0 0 88 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.895 112.0 49.7 -60.3 -45.2 -15.8 26.6 56.0 71 71 A V H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.932 111.3 47.0 -61.8 -48.5 -14.0 27.6 52.8 72 72 A K H X S+ 0 0 75 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.885 111.8 51.5 -62.5 -39.8 -17.2 28.1 50.8 73 73 A A H < S+ 0 0 58 -4,-2.2 4,-0.2 -5,-0.2 -1,-0.2 0.922 112.4 46.3 -62.1 -42.6 -18.7 30.2 53.7 74 74 A A H >< S+ 0 0 22 -4,-2.3 3,-1.6 1,-0.2 4,-0.2 0.901 108.1 56.2 -66.0 -39.9 -15.6 32.4 53.7 75 75 A A H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.826 93.0 70.5 -61.9 -33.1 -15.6 32.8 49.9 76 76 A S T 3< S+ 0 0 73 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.576 89.7 62.8 -60.2 -15.1 -19.2 34.1 50.1 77 77 A K T < S+ 0 0 184 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.3 0.597 86.4 96.8 -85.4 -11.4 -17.8 37.4 51.7 78 78 A V < - 0 0 11 -3,-2.0 165,-2.8 -4,-0.2 2,-0.5 -0.613 53.3-166.3 -86.9 134.6 -15.7 38.2 48.6 79 79 A K B -h 243 0D 102 -2,-0.3 2,-0.4 163,-0.2 165,-0.2 -0.986 16.9-179.9-112.8 125.2 -16.9 40.5 45.8 80 80 A A - 0 0 0 163,-2.3 165,-0.4 -2,-0.5 2,-0.3 -0.964 12.1-144.4-128.3 146.2 -14.7 40.2 42.7 81 81 A N - 0 0 67 -2,-0.4 95,-0.5 163,-0.1 96,-0.2 -0.740 20.2-106.1-113.0 158.7 -14.9 42.1 39.4 82 82 A L - 0 0 53 -2,-0.3 2,-0.4 94,-0.1 91,-0.2 -0.519 36.9-130.9 -71.8 138.3 -14.4 41.3 35.8 83 83 A L - 0 0 9 89,-2.4 2,-0.1 88,-0.2 92,-0.0 -0.789 21.0-117.5 -90.8 143.2 -11.2 42.9 34.4 84 84 A S > - 0 0 60 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.370 29.6-108.0 -67.4 160.0 -11.5 44.9 31.2 85 85 A V H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 120.8 56.7 -56.4 -42.6 -9.4 43.5 28.2 86 86 A E H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 107.8 44.3 -57.6 -47.2 -7.0 46.5 28.7 87 87 A E H > S+ 0 0 100 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.916 114.4 49.7 -65.0 -42.0 -6.2 45.7 32.3 88 88 A A H < S+ 0 0 0 -4,-2.3 3,-0.2 1,-0.2 4,-0.2 0.879 110.8 51.3 -62.1 -39.0 -5.8 41.9 31.5 89 89 A C H >< S+ 0 0 0 -4,-2.6 3,-1.7 -5,-0.2 -2,-0.2 0.938 107.3 52.1 -62.1 -47.3 -3.5 42.9 28.6 90 90 A S H 3< S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.729 105.3 56.8 -63.7 -23.3 -1.3 45.1 30.9 91 91 A L T 3< S+ 0 0 29 -4,-1.2 463,-2.6 -3,-0.2 -1,-0.3 0.433 79.0 111.4 -86.0 -2.5 -0.9 42.2 33.3 92 92 A T S < S- 0 0 3 -3,-1.7 463,-0.1 -4,-0.2 3,-0.1 -0.589 73.7-120.9 -73.3 126.2 0.5 39.9 30.7 93 93 A P > - 0 0 4 0, 0.0 3,-1.2 0, 0.0 460,-0.2 -0.310 29.2-102.8 -64.5 151.9 4.2 39.2 31.5 94 94 A P T 3 S+ 0 0 19 0, 0.0 458,-0.0 0, 0.0 12,-0.0 -0.407 103.6 20.0 -70.8 151.7 6.8 40.3 28.9 95 95 A H T 3 S+ 0 0 89 1,-0.2 467,-2.3 466,-0.1 3,-0.1 0.479 82.4 147.4 69.1 8.2 8.2 37.4 26.8 96 96 A S B < -I 561 0E 7 -3,-1.2 9,-0.6 465,-0.3 465,-0.2 -0.310 67.3 -65.7 -69.1 159.7 5.3 34.9 27.5 97 97 A A - 0 0 6 463,-1.5 67,-0.2 7,-0.1 -1,-0.2 -0.177 58.8-116.9 -50.7 128.6 4.7 32.5 24.6 98 98 A K - 0 0 145 -3,-0.1 6,-0.3 1,-0.1 66,-0.2 -0.179 32.2-100.2 -62.2 160.1 3.3 34.3 21.5 99 99 A S > - 0 0 4 4,-2.5 3,-0.6 64,-0.1 4,-0.4 -0.501 14.7-134.4 -76.5 152.2 -0.2 33.5 20.1 100 100 A K T 3 S+ 0 0 97 1,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.482 100.0 76.8 -80.7 -1.7 -0.5 31.1 17.1 101 101 A F T 3 S- 0 0 116 2,-0.2 -1,-0.2 14,-0.0 3,-0.1 -0.065 122.0 -84.7-101.3 29.6 -3.0 33.8 15.9 102 102 A G S < S+ 0 0 46 -3,-0.6 2,-0.3 1,-0.2 -2,-0.1 0.668 97.1 80.9 81.8 26.2 -0.4 36.4 14.7 103 103 A Y - 0 0 9 -4,-0.4 -4,-2.5 11,-0.1 -2,-0.2 -0.970 54.1-150.6-151.9 161.9 0.6 38.5 17.8 104 104 A G > - 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0 0 48 -3,-1.6 -3,-0.0 -4,-0.1 0, 0.0 -0.761 65.7-144.7-101.9 146.0 4.2 38.0 53.0 195 196 A S > - 0 0 23 -2,-0.3 4,-2.7 270,-0.1 5,-0.2 -0.372 47.1 -96.0 -81.1 171.2 7.6 39.4 52.3 196 197 A P H > S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.918 129.0 51.2 -56.8 -41.1 10.6 37.2 53.4 197 198 A G H > S+ 0 0 30 268,-0.3 4,-2.0 1,-0.2 5,-0.1 0.867 111.8 45.8 -62.8 -39.7 10.8 39.3 56.6 198 199 A Q H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 111.7 52.0 -73.4 -35.4 7.1 38.8 57.3 199 200 A R H X S+ 0 0 15 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.910 111.3 46.6 -64.2 -46.5 7.3 35.1 56.6 200 201 A V H X S+ 0 0 7 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.927 112.2 50.7 -63.6 -42.2 10.2 34.6 59.0 201 202 A E H X S+ 0 0 127 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.905 111.0 50.3 -59.1 -44.1 8.3 36.7 61.7 202 203 A F H X S+ 0 0 33 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.912 113.5 44.1 -59.7 -49.8 5.2 34.5 61.1 203 204 A L H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.903 115.0 47.6 -64.2 -44.6 7.2 31.2 61.5 204 205 A V H X S+ 0 0 12 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.913 114.3 46.6 -63.9 -45.7 9.2 32.4 64.6 205 206 A Q H X S+ 0 0 74 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.919 113.2 49.4 -62.8 -44.4 6.0 33.7 66.3 206 207 A A H < S+ 0 0 7 -4,-2.5 4,-0.5 -5,-0.2 3,-0.4 0.940 113.2 47.6 -57.8 -49.4 4.2 30.4 65.5 207 208 A W H >< S+ 0 0 37 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.916 113.4 47.0 -55.9 -50.4 7.2 28.4 66.9 208 209 A K H 3< S+ 0 0 137 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.713 101.3 67.4 -67.6 -23.1 7.3 30.5 70.0 209 210 A S T 3< S+ 0 0 74 -4,-1.6 2,-0.3 -3,-0.4 -1,-0.2 0.609 88.0 83.0 -72.4 -15.7 3.5 30.2 70.6 210 211 A K S < S- 0 0 24 -3,-1.2 114,-0.0 -4,-0.5 99,-0.0 -0.694 74.2-141.2 -92.2 147.5 3.8 26.5 71.3 211 212 A K S S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.3 113,-0.1 0.952 103.6 4.3 -66.8 -47.1 4.7 25.0 74.7 212 213 A T S S- 0 0 84 113,-0.1 113,-3.2 -3,-0.1 -1,-0.3 -0.881 93.2-150.4-136.0 92.7 6.8 22.3 73.0 213 214 A P E +K 324 0F 24 0, 0.0 2,-0.3 0, 0.0 111,-0.2 -0.434 18.6 179.6 -72.1 146.3 6.8 23.0 69.2 214 215 A M E -K 323 0F 0 109,-2.1 109,-3.3 -2,-0.1 2,-0.3 -0.984 11.1-179.3-133.8 139.8 7.2 20.4 66.5 215 216 A G E +KL 322 356F 0 141,-2.5 141,-2.4 -2,-0.3 2,-0.3 -0.947 7.3 178.4-137.6 159.9 7.1 21.4 62.8 216 217 A F E -K 321 0F 1 105,-2.5 105,-2.6 -2,-0.3 2,-0.3 -0.981 24.0-134.3-156.3 151.6 7.3 19.8 59.4 217 218 A S E -K 320 0F 45 -2,-0.3 2,-0.6 137,-0.3 137,-0.4 -0.800 24.8-142.1 -97.1 147.3 7.2 20.6 55.7 218 219 A Y E -K 319 0F 6 101,-2.2 2,-0.7 -2,-0.3 101,-0.6 -0.960 8.7-159.4-116.0 119.8 5.0 18.3 53.6 219 220 A D - 0 0 76 132,-0.6 131,-2.8 -2,-0.6 2,-0.4 -0.840 7.7-155.4 -98.6 106.4 6.3 17.4 50.1 220 221 A T B > -N 349 0G 4 -2,-0.7 3,-0.6 97,-0.4 2,-0.6 -0.691 26.1-113.3 -79.4 139.7 3.5 16.3 47.9 221 222 A R T 3 S- 0 0 85 127,-2.7 5,-0.2 -2,-0.4 -1,-0.1 -0.619 89.6 -25.5 -71.0 112.1 4.6 14.0 45.0 222 223 A C T >> S- 0 0 16 -2,-0.6 4,-1.2 3,-0.1 3,-1.1 0.934 76.2-161.2 47.6 63.0 4.1 16.0 41.8 223 224 A F H X> S+ 0 0 4 -3,-0.6 4,-1.0 1,-0.2 3,-0.7 0.839 83.3 56.4 -44.6 -48.7 1.3 18.2 43.3 224 225 A D H >4 S+ 0 0 25 1,-0.3 55,-1.9 2,-0.2 3,-0.6 0.877 108.3 48.9 -54.6 -38.4 -0.2 19.3 39.9 225 226 A S H <4 S+ 0 0 3 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.772 106.0 57.0 -72.8 -26.5 -0.7 15.6 38.8 226 227 A T H << S+ 0 0 0 -4,-1.2 2,-0.5 -3,-0.7 -1,-0.2 0.638 82.2 102.2 -76.5 -20.4 -2.4 14.8 42.2 227 228 A V << - 0 0 0 -4,-1.0 52,-0.4 -3,-0.6 2,-0.1 -0.588 66.4-150.1 -68.3 119.8 -5.0 17.5 41.5 228 229 A T > - 0 0 6 -2,-0.5 4,-2.0 50,-0.1 5,-0.2 -0.370 26.2-108.3 -90.4 167.5 -8.2 15.7 40.4 229 230 A E H > S+ 0 0 50 48,-0.3 4,-2.4 1,-0.2 5,-0.2 0.909 123.6 50.4 -59.1 -40.5 -11.1 16.7 38.1 230 231 A S H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 106.9 53.6 -68.9 -32.8 -13.3 16.9 41.2 231 232 A D H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 111.4 46.3 -61.9 -42.1 -10.7 19.1 43.0 232 233 A I H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.884 111.9 49.3 -69.8 -39.2 -10.8 21.4 39.9 233 234 A R H X S+ 0 0 114 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.825 109.8 53.7 -67.2 -31.1 -14.6 21.4 39.8 234 235 A T H X S+ 0 0 29 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.904 105.9 51.9 -69.1 -40.5 -14.6 22.2 43.6 235 236 A E H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.926 108.7 51.7 -61.4 -41.0 -12.3 25.2 43.0 236 237 A E H X S+ 0 0 24 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.913 108.7 50.3 -59.3 -43.4 -14.9 26.4 40.4 237 238 A A H < S+ 0 0 33 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.897 111.0 49.6 -62.5 -37.5 -17.7 26.0 43.0 238 239 A I H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 4,-0.4 0.938 108.6 51.7 -66.6 -46.3 -15.6 28.1 45.5 239 240 A Y H >< S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.907 106.5 55.5 -56.1 -42.3 -15.0 30.8 42.9 240 241 A Q T 3< S+ 0 0 43 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.558 90.4 73.9 -69.8 -12.5 -18.8 31.0 42.3 241 242 A C T < S+ 0 0 42 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.685 84.4 87.5 -68.8 -24.8 -19.4 31.6 46.0 242 243 A C S < S- 0 0 1 -3,-1.6 2,-0.9 -4,-0.4 -163,-0.2 -0.340 97.7-101.5 -66.2 162.3 -18.1 35.2 45.4 243 244 A D B +h 79 0D 80 -165,-2.8 -163,-2.3 -2,-0.1 2,-0.3 -0.761 61.4 173.7 -83.4 107.8 -20.3 38.0 44.3 244 245 A L - 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0 0 56 -2,-0.2 -18,-0.1 -18,-0.2 -19,-0.0 -0.970 45.0 -69.3-160.4 166.3 18.9 28.7 51.5 386 387 A D - 0 0 57 -2,-0.3 3,-0.4 1,-0.1 98,-0.1 -0.467 46.0-145.2 -59.0 128.0 21.6 26.6 50.0 387 388 A P S > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.417 71.6 102.5 -84.2 4.7 23.1 29.0 47.4 388 389 A T H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.929 85.2 38.8 -50.3 -60.2 24.0 26.2 44.9 389 390 A T H > S+ 0 0 26 -3,-0.4 4,-2.7 1,-0.2 5,-0.3 0.956 116.3 51.3 -62.5 -48.2 21.1 26.8 42.4 390 391 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.885 114.0 45.7 -54.4 -41.9 21.2 30.6 42.7 391 392 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.915 112.4 48.8 -69.1 -41.6 24.9 30.6 41.9 392 393 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.911 115.4 45.6 -61.5 -43.3 24.7 28.1 39.0 393 394 A R H X S+ 0 0 56 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.907 110.4 53.1 -68.3 -42.2 21.8 30.2 37.5 394 395 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.867 108.7 50.6 -59.3 -39.8 23.8 33.5 38.1 395 396 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 3,-0.5 0.942 111.8 47.2 -65.7 -45.6 26.8 32.0 36.2 396 397 A W H X S+ 0 0 24 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.926 111.4 51.5 -58.9 -44.5 24.5 31.0 33.3 397 398 A E H < S+ 0 0 25 -4,-2.8 -1,-0.2 1,-0.2 5,-0.2 0.714 108.4 51.5 -68.6 -23.1 22.9 34.5 33.3 398 399 A T H < S+ 0 0 2 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.850 115.5 41.7 -76.2 -38.7 26.3 36.2 33.2 399 400 A A H < S+ 0 0 12 -4,-1.8 2,-0.4 1,-0.2 -2,-0.2 0.754 123.5 34.4 -78.2 -28.0 27.3 34.0 30.1 400 401 A R S < S- 0 0 109 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.2 -0.994 80.5-117.3-136.1 138.7 24.0 34.3 28.3 401 402 A H - 0 0 181 -2,-0.4 -3,-0.1 -3,-0.1 -4,-0.0 -0.549 39.5-171.1 -72.5 122.3 21.3 37.0 27.9 402 403 A T - 0 0 21 -2,-0.3 3,-0.0 -5,-0.2 -5,-0.0 -0.890 30.9-127.1-116.1 150.9 18.2 35.5 29.5 403 404 A P S S+ 0 0 55 0, 0.0 40,-0.3 0, 0.0 2,-0.3 0.879 99.6 31.0 -64.1 -37.1 14.6 37.0 29.3 404 405 A V S S- 0 0 24 38,-0.1 2,-0.7 -309,-0.1 40,-0.2 -0.912 79.1-138.8-122.8 141.8 14.2 36.8 33.1 405 406 A N >> - 0 0 15 38,-2.3 4,-1.6 -2,-0.3 3,-0.5 -0.877 14.7-175.7-109.6 101.3 17.1 37.2 35.7 406 407 A S H 3> S+ 0 0 31 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.810 85.7 64.5 -62.7 -29.5 16.9 34.8 38.6 407 408 A W H 3> S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 102.4 47.5 -60.1 -40.0 20.0 36.6 40.1 408 409 A L H <> S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.937 112.6 47.6 -67.5 -45.4 18.0 39.8 40.5 409 410 A G H X S+ 0 0 7 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.876 112.9 50.9 -60.9 -37.9 15.1 38.0 42.1 410 411 A N H X S+ 0 0 25 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.901 108.4 50.1 -68.6 -40.6 17.6 36.2 44.4 411 412 A I H < S+ 0 0 0 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.927 115.5 45.5 -62.2 -41.0 19.3 39.5 45.4 412 413 A I H >< S+ 0 0 8 -4,-2.3 3,-0.7 2,-0.2 -2,-0.2 0.957 120.4 35.6 -65.9 -53.7 15.8 40.9 46.2 413 414 A M H 3< S+ 0 0 46 -4,-2.9 -30,-0.2 1,-0.2 -2,-0.2 0.830 129.2 35.0 -72.6 -33.9 14.4 37.9 48.2 414 415 A F T >< S+ 0 0 23 -4,-2.7 3,-2.2 -5,-0.3 6,-0.4 0.095 74.8 130.1-112.4 26.7 17.7 37.0 49.8 415 416 A A T < S+ 0 0 0 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.774 71.5 53.7 -50.8 -38.0 19.2 40.5 50.4 416 417 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.610 88.3 108.3 -76.7 -8.5 20.1 39.9 54.1 417 418 A T S <> S- 0 0 0 -3,-2.2 4,-2.1 -34,-0.1 5,-0.2 -0.345 74.5-129.7 -71.4 149.3 22.0 36.7 53.3 418 419 A L H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.890 109.4 47.0 -61.1 -40.7 25.8 36.4 53.6 419 420 A W H >>S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-1.6 0.881 110.9 48.6 -72.1 -42.0 25.9 34.8 50.0 420 421 A A H 4>S+ 0 0 0 -6,-0.4 5,-2.6 3,-0.2 6,-0.2 0.921 118.5 41.7 -66.8 -37.7 23.6 37.3 48.3 421 422 A R H <>S+ 0 0 10 -4,-2.1 5,-0.6 -7,-0.2 -2,-0.2 0.935 122.8 35.0 -72.9 -50.5 25.6 40.3 49.8 422 423 A M H <5S+ 0 0 15 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.833 134.7 17.9 -75.9 -36.7 29.1 39.0 49.4 423 424 A I T X5S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.3 5,-0.3 0.868 125.9 40.2-101.6 -64.3 28.8 37.1 46.1 424 425 A L H >S+ 0 0 4 -4,-2.9 5,-2.8 2,-0.2 6,-0.6 0.852 112.5 47.6 -65.7 -35.8 27.0 45.9 35.2 433 434 A I H ><5S+ 0 0 14 -4,-2.0 3,-1.0 -5,-0.2 -2,-0.2 0.947 113.2 48.8 -66.2 -48.8 29.9 48.4 35.6 434 435 A A H 3<5S+ 0 0 67 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.835 118.9 38.5 -58.6 -38.6 32.0 46.4 33.1 435 436 A R T 3<5S- 0 0 87 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.391 108.2-122.4 -94.5 0.0 29.1 46.3 30.6 436 437 A D T < 5S+ 0 0 121 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.934 73.6 126.9 56.5 50.3 27.9 49.9 31.3 437 438 A Q > < + 0 0 81 -5,-2.8 3,-1.2 -6,-0.1 -4,-0.2 0.193 18.1 116.0-123.5 16.5 24.4 48.6 32.3 438 439 A L T 3 S+ 0 0 1 -6,-0.6 18,-1.1 1,-0.3 -1,-0.1 0.796 83.0 44.6 -55.1 -34.4 23.7 50.0 35.8 439 440 A E T 3 S+ 0 0 97 16,-0.1 2,-0.4 -7,-0.1 -1,-0.3 0.509 87.5 106.6 -90.3 -10.4 20.8 52.1 34.5 440 441 A Q S < S- 0 0 51 -3,-1.2 2,-0.1 14,-0.1 13,-0.1 -0.623 70.5-126.2 -78.7 127.0 19.1 49.4 32.4 441 442 A A - 0 0 51 -2,-0.4 2,-0.3 13,-0.2 13,-0.3 -0.411 27.9-161.1 -70.7 140.8 15.8 48.0 33.9 442 443 A L E -R 453 0J 32 11,-2.7 11,-2.8 -2,-0.1 2,-0.4 -0.909 12.3-124.5-123.2 150.6 15.8 44.2 34.1 443 444 A N E +R 452 0J 34 -40,-0.3 -38,-2.3 -2,-0.3 2,-0.3 -0.788 29.0 170.3 -96.1 145.1 13.0 41.7 34.5 444 445 A C E -R 451 0J 1 7,-1.8 7,-2.7 -2,-0.4 2,-0.4 -0.912 21.1-143.5-143.0 158.9 12.7 39.1 37.3 445 446 A E E -R 450 0J 58 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -1.000 8.4-169.6-130.5 126.2 9.9 36.7 38.3 446 447 A I E > S-R 449 0J 28 3,-2.8 3,-2.1 -2,-0.4 -2,-0.0 -0.960 81.0 -32.0-118.9 101.2 9.2 35.8 42.0 447 448 A Y T 3 S- 0 0 124 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.865 126.4 -45.7 52.0 43.7 6.7 33.0 42.1 448 449 A G T 3 S+ 0 0 20 1,-0.3 107,-1.8 106,-0.1 2,-0.4 0.163 111.5 120.2 90.6 -22.0 5.0 34.2 38.9 449 450 A A E < -RS 446 554J 21 -3,-2.1 -3,-2.8 105,-0.2 2,-0.4 -0.701 55.7-146.9 -77.5 123.7 4.9 37.9 39.9 450 451 A C E -R 445 0J 3 103,-2.7 102,-3.2 -2,-0.4 103,-0.5 -0.814 16.8-172.9 -98.7 140.1 6.9 39.8 37.3 451 452 A Y E -RS 444 551J 57 -7,-2.7 -7,-1.8 -2,-0.4 2,-0.5 -0.951 20.3-151.3-133.7 148.6 9.0 42.9 38.1 452 453 A S E +R 443 0J 50 98,-2.7 2,-0.4 -2,-0.3 -9,-0.2 -0.985 32.4 172.0-120.9 109.4 10.9 45.5 36.1 453 454 A I E -R 442 0J 8 -11,-2.8 -11,-2.7 -2,-0.5 -2,-0.0 -0.988 32.7-139.3-130.1 135.4 13.7 46.8 38.2 454 455 A E > - 0 0 62 -2,-0.4 3,-2.4 -13,-0.3 4,-0.2 -0.750 23.9-132.8 -84.6 130.0 16.7 49.1 37.7 455 456 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -16,-0.1 0.863 106.4 64.8 -51.6 -36.1 19.8 47.8 39.6 456 457 A L G 3 S+ 0 0 6 -18,-1.1 64,-0.1 1,-0.3 -17,-0.1 0.665 96.2 58.0 -61.6 -16.0 20.4 51.3 40.9 457 458 A D G <> S+ 0 0 37 -3,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.403 77.2 99.0 -92.9 1.1 17.0 51.1 42.8 458 459 A L H <> S+ 0 0 0 -3,-2.1 4,-3.1 -4,-0.2 5,-0.2 0.910 75.4 55.5 -56.4 -46.8 18.1 48.0 44.7 459 460 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.948 112.6 39.8 -57.7 -51.1 19.1 49.9 48.0 460 461 A P H > S+ 0 0 7 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.894 116.9 51.5 -64.5 -35.8 15.7 51.6 48.5 461 462 A I H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.932 112.8 45.4 -61.5 -47.4 13.8 48.4 47.4 462 463 A I H X>S+ 0 0 1 -4,-3.1 4,-3.4 -5,-0.2 5,-1.0 0.931 112.5 50.7 -63.4 -44.1 15.9 46.3 49.9 463 464 A Q H X5S+ 0 0 30 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.942 114.7 43.5 -58.7 -48.4 15.4 48.9 52.7 464 465 A R H <5S+ 0 0 117 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.927 121.2 39.8 -64.6 -41.1 11.6 48.9 52.2 465 466 A L H <5S+ 0 0 37 -4,-2.7 -268,-0.3 -5,-0.2 -2,-0.2 0.892 136.2 12.3 -74.9 -45.0 11.3 45.1 51.8 466 467 A H H <5S- 0 0 33 -4,-3.4 -3,-0.2 -5,-0.2 3,-0.2 0.640 105.0-115.5-108.0 -24.9 13.7 43.9 54.5 467 468 A G ><< - 0 0 26 -4,-1.5 3,-1.7 -5,-1.0 4,-0.2 -0.140 39.5 -68.4 101.1 161.9 14.5 47.0 56.6 468 469 A L G > S+ 0 0 54 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.728 122.5 74.0 -56.7 -28.6 17.7 48.9 57.2 469 470 A S G >> S+ 0 0 38 1,-0.3 3,-2.2 -3,-0.2 4,-0.9 0.728 77.3 77.5 -60.0 -23.2 19.2 46.0 59.1 470 471 A A G <4 S+ 0 0 3 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.721 94.8 49.5 -58.7 -24.2 19.7 44.1 55.8 471 472 A F G <4 S+ 0 0 5 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.358 115.8 42.0 -94.5 2.3 22.8 46.3 55.2 472 473 A S T <4 S+ 0 0 42 -3,-2.2 -2,-0.2 -4,-0.1 -1,-0.1 0.385 75.0 134.2-132.3 3.4 24.3 45.7 58.7 473 474 A L < + 0 0 7 -4,-0.9 2,-0.3 -99,-0.1 -99,-0.2 -0.260 24.0 152.4 -61.6 141.4 23.9 41.9 59.4 474 475 A H B +Q 373 0I 81 -101,-2.3 -101,-2.8 1,-0.2 -2,-0.1 -0.899 39.0 59.3-154.5 177.2 26.9 40.2 60.8 475 476 A S - 0 0 76 -2,-0.3 -1,-0.2 -103,-0.2 2,-0.1 0.963 67.5-171.9 54.4 56.7 27.8 37.2 63.0 476 477 A Y - 0 0 24 -104,-0.1 -104,-0.2 1,-0.1 -1,-0.1 -0.314 31.4 -83.9 -70.6 162.7 26.1 34.6 60.7 477 478 A S > - 0 0 26 -106,-0.5 4,-2.9 1,-0.1 5,-0.3 -0.379 26.4-120.5 -75.1 153.3 25.7 31.1 62.1 478 479 A P H > S+ 0 0 103 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.894 116.0 51.0 -54.1 -41.6 28.5 28.4 61.8 479 480 A G H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.869 111.7 45.8 -63.5 -41.2 26.0 26.2 59.9 480 481 A E H > S+ 0 0 4 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 113.6 48.4 -68.2 -49.2 25.2 29.0 57.4 481 482 A I H X S+ 0 0 71 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.937 114.3 47.9 -56.4 -47.1 28.9 30.0 56.9 482 483 A N H X S+ 0 0 105 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.862 109.2 51.8 -64.0 -37.3 29.8 26.3 56.3 483 484 A R H X S+ 0 0 64 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.927 114.1 43.4 -66.1 -44.5 26.9 25.7 53.9 484 485 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.965 115.5 49.4 -63.4 -49.8 28.0 28.7 51.8 485 486 A A H X S+ 0 0 24 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.897 110.7 49.1 -56.8 -43.9 31.7 27.7 52.1 486 487 A A H X S+ 0 0 44 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.870 109.9 52.7 -62.3 -38.9 31.0 24.1 51.0 487 488 A C H X S+ 0 0 2 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.921 107.9 51.2 -62.8 -43.6 29.0 25.3 48.0 488 489 A L H X>S+ 0 0 6 -4,-2.3 5,-2.5 1,-0.2 4,-1.2 0.901 110.5 47.6 -64.7 -39.6 31.9 27.6 46.9 489 490 A R H <5S+ 0 0 174 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.916 113.3 49.2 -66.1 -41.2 34.4 24.7 47.0 490 491 A K H <5S+ 0 0 91 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.5 37.4 -63.3 -44.2 32.0 22.4 45.1 491 492 A L H <5S- 0 0 0 -4,-2.4 -458,-2.3 -5,-0.1 -459,-0.2 0.506 109.4-114.0 -89.6 -7.4 31.3 24.9 42.3 492 493 A G T <5 + 0 0 4 -4,-1.2 -460,-2.1 -3,-0.3 -3,-0.2 0.904 60.9 156.0 71.6 42.0 34.8 26.5 42.0 493 494 A V < - 0 0 8 -5,-2.5 -1,-0.3 -462,-0.2 -462,-0.2 -0.835 50.4-101.8 -97.4 136.4 33.5 29.9 43.3 494 495 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.189 47.9 -93.1 -56.9 151.7 36.3 32.1 44.9 495 496 A P >> - 0 0 85 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.222 34.5-105.7 -66.7 158.6 36.3 32.2 48.7 496 497 A L H 3> S+ 0 0 30 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.830 119.4 58.4 -51.2 -39.0 34.3 34.9 50.6 497 498 A R H 3> S+ 0 0 215 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.831 105.0 50.7 -64.4 -30.9 37.6 36.8 51.5 498 499 A A H <> S+ 0 0 44 -3,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.931 110.3 49.8 -70.8 -41.9 38.4 37.2 47.8 499 500 A W H X S+ 0 0 11 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.875 107.6 54.8 -61.9 -38.1 34.8 38.6 47.2 500 501 A R H X S+ 0 0 100 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.940 109.1 47.5 -60.4 -46.8 35.4 41.0 50.1 501 502 A H H X S+ 0 0 143 -4,-1.8 4,-1.0 1,-0.2 3,-0.3 0.926 113.4 47.4 -59.8 -44.1 38.6 42.2 48.4 502 503 A R H >X S+ 0 0 142 -4,-2.5 4,-2.0 1,-0.2 3,-0.5 0.897 106.5 58.6 -64.9 -39.3 36.7 42.6 45.1 503 504 A A H 3X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 5,-0.2 0.824 96.6 61.5 -63.1 -32.4 33.8 44.4 46.8 504 505 A R H 3X S+ 0 0 123 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.923 108.9 42.6 -60.5 -40.7 36.1 47.2 48.1 505 506 A S H X S+ 0 0 0 -4,-2.3 3,-1.0 2,-0.2 4,-0.5 0.912 110.3 52.6 -62.9 -44.2 30.1 53.1 42.6 511 512 A L H >< S+ 0 0 61 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.896 104.6 56.4 -58.1 -41.0 30.9 55.9 45.2 512 513 A S H 3< S+ 0 0 99 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.693 99.9 60.4 -64.1 -24.2 32.8 57.8 42.5 513 514 A R H << S- 0 0 97 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.647 94.3-156.3 -79.5 -16.0 29.7 57.8 40.2 514 515 A G XX + 0 0 30 -3,-1.3 4,-1.6 -4,-0.5 3,-0.8 -0.071 51.5 50.0 68.5-172.1 27.6 59.8 42.7 515 516 A G H 3> S- 0 0 62 1,-0.2 4,-1.6 2,-0.2 3,-0.3 -0.053 123.7 -8.5 48.6-135.9 23.8 59.8 43.0 516 517 A R H 3> S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 136.5 56.5 -61.0 -38.1 22.0 56.4 43.0 517 518 A A H <> S+ 0 0 7 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.892 105.6 50.8 -61.1 -40.9 25.2 54.5 42.2 518 519 A A H X S+ 0 0 20 -4,-1.6 4,-3.0 -3,-0.3 -1,-0.2 0.845 106.9 54.1 -65.2 -35.9 26.9 56.0 45.3 519 520 A I H X>S+ 0 0 58 -4,-1.6 4,-2.8 2,-0.2 5,-0.5 0.916 107.1 52.0 -63.6 -39.9 24.0 54.9 47.4 520 521 A C H X>S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 5,-0.5 0.931 113.2 44.4 -59.0 -46.7 24.6 51.4 46.0 521 522 A G H X5S+ 0 0 0 -4,-2.1 4,-1.0 3,-0.2 -2,-0.2 0.932 116.8 45.3 -64.0 -46.7 28.2 51.6 47.1 522 523 A K H <5S+ 0 0 59 -4,-3.0 4,-0.3 2,-0.1 11,-0.2 0.941 125.3 26.9 -61.3 -54.5 27.5 53.1 50.5 523 524 A Y H ><5S+ 0 0 11 -4,-2.8 3,-0.5 2,-0.2 4,-0.2 0.892 123.5 43.7 -80.5 -49.3 24.6 50.8 51.6 524 525 A L H 3<<> - 0 0 12 1,-0.1 3,-1.2 -79,-0.1 4,-0.8 -0.668 10.9-141.2 -76.9 128.0 17.2 56.4 52.2 539 540 A A H >> S+ 0 0 82 -2,-0.4 4,-1.3 1,-0.3 3,-0.9 0.892 101.4 59.1 -56.9 -39.6 14.6 59.1 51.1 540 541 A A H 3> S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.778 96.8 63.4 -61.5 -26.1 13.8 57.1 47.9 541 542 A A H <4 S+ 0 0 1 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.848 105.1 44.1 -67.7 -36.8 12.7 54.1 50.1 542 543 A G H << S+ 0 0 61 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.786 112.0 54.3 -75.1 -29.9 9.9 56.0 51.7 543 544 A R H < S+ 0 0 198 -4,-1.3 -2,-0.2 2,-0.0 -1,-0.2 0.823 97.6 76.5 -74.0 -36.4 8.8 57.5 48.3 544 545 A L < - 0 0 10 -4,-1.7 2,-0.4 4,-0.0 -3,-0.0 -0.200 68.4-141.4 -72.2 168.6 8.4 54.2 46.4 545 546 A D > - 0 0 77 1,-0.1 4,-2.1 2,-0.0 5,-0.4 -0.991 9.7-160.6-129.2 115.5 5.6 51.6 46.6 546 547 A L H > S+ 0 0 44 -2,-0.4 4,-0.6 1,-0.2 -1,-0.1 0.912 87.2 46.3 -62.0 -51.1 7.0 48.0 46.4 547 548 A S H 4 S+ 0 0 74 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.812 126.8 24.3 -62.0 -37.9 3.9 46.2 45.4 548 549 A G H >4 S+ 0 0 40 2,-0.1 3,-0.5 1,-0.1 -2,-0.2 0.779 108.2 60.1-105.6 -35.6 2.9 48.6 42.7 549 550 A W H 3< S+ 0 0 164 -4,-2.1 -3,-0.1 1,-0.2 -2,-0.1 0.786 112.0 38.5 -67.9 -28.4 5.7 50.7 41.2 550 551 A F T 3< S+ 0 0 21 -4,-0.6 -98,-2.7 -5,-0.4 -1,-0.2 0.392 81.0 128.7-106.9 3.2 7.8 47.8 39.8 551 552 A T E < +S 451 0J 81 -3,-0.5 -100,-0.3 -100,-0.2 3,-0.1 -0.315 25.0 174.0 -65.2 141.8 5.1 45.3 38.6 552 553 A A E - 0 0 5 -102,-3.2 -101,-0.2 1,-0.5 2,-0.2 0.024 58.7 -68.2-134.3 25.0 5.5 43.9 35.1 553 554 A G E - 0 0 9 -103,-0.5 -103,-2.7 -460,-0.2 -1,-0.5 -0.583 46.4-100.6 119.3-179.6 2.7 41.3 35.1 554 555 A Y E -S 449 0J 39 -463,-2.6 2,-0.4 -105,-0.2 -105,-0.2 -0.994 15.5-167.9-149.5 140.6 1.6 38.1 36.6 555 556 A S - 0 0 6 -107,-1.8 -271,-0.1 -2,-0.3 3,-0.1 -0.991 16.5-150.2-125.5 137.9 1.5 34.4 35.6 556 557 A G S S+ 0 0 4 -2,-0.4 -269,-1.7 1,-0.2 2,-0.3 0.635 84.0 0.2 -77.2 -19.5 -0.5 31.8 37.7 557 558 A G S S- 0 0 15 -271,-0.2 -1,-0.2 -109,-0.1 -275,-0.1 -0.957 100.1 -63.4-163.0 164.7 2.0 29.1 36.7 558 559 A D + 0 0 67 -2,-0.3 -276,-0.1 -277,-0.2 -1,-0.1 0.564 53.1 179.4 -17.3 -82.7 5.2 28.6 34.6 559 560 A I - 0 0 16 -399,-0.1 2,-0.1 -420,-0.1 -276,-0.0 0.640 39.4 -88.2 63.6 134.4 4.4 29.3 30.8 560 561 A Y - 0 0 64 -278,-0.1 -463,-1.5 1,-0.1 2,-0.6 -0.437 35.5-125.4 -64.9 137.6 7.1 29.1 28.1 561 562 A H B I 96 0E 61 -465,-0.2 -465,-0.3 -2,-0.1 -466,-0.1 -0.834 360.0 360.0 -85.3 118.3 9.2 32.3 27.4 562 563 A S 0 0 76 -467,-2.3 -465,-0.0 -2,-0.6 -458,-0.0 -0.344 360.0 360.0 -64.0 360.0 8.8 33.0 23.6