==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JUN-10 2XHW . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR D.HARRUS,N.AHMED-EL-SAYED,P.C.SIMISTER,S.MILLER,M.TRICONNET, . 560 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 11.1 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 . 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 . 2 0.4 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 . 24 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 2 2 1 0 2 1 1 1 2 2 2 0 1 2 0 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 2 1 2 1 2 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 2 1 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 76 0, 0.0 55,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 70.2 -14.9 34.9 -13.5 2 2 A M B -A 55 0A 81 53,-0.2 53,-0.2 1,-0.1 274,-0.1 -0.573 360.0-142.3 -78.5 130.8 -15.5 34.0 -9.8 3 3 A S S S+ 0 0 0 51,-2.8 273,-2.4 -2,-0.3 2,-0.3 0.867 86.1 12.1 -53.2 -43.1 -18.9 34.4 -8.3 4 4 A Y E -B 275 0B 16 271,-0.2 2,-0.4 50,-0.2 271,-0.2 -0.992 58.7-158.1-139.7 150.6 -17.3 35.5 -5.0 5 5 A T E -B 274 0B 80 269,-2.3 269,-2.4 -2,-0.3 2,-0.3 -0.995 20.2-156.6-124.2 133.9 -13.9 36.6 -3.6 6 6 A W E -B 273 0B 75 -2,-0.4 267,-0.3 267,-0.2 266,-0.1 -0.844 20.6-166.2-117.9 148.4 -13.2 36.3 0.1 7 7 A T - 0 0 80 265,-2.3 266,-0.1 -2,-0.3 -1,-0.1 0.716 53.4-103.8 -98.7 -30.1 -10.7 38.0 2.5 8 8 A G S S+ 0 0 58 264,-0.6 264,-0.1 1,-0.5 265,-0.1 0.024 79.5 127.8 123.9 -25.8 -11.0 35.7 5.5 9 9 A A - 0 0 27 262,-0.4 -1,-0.5 1,-0.1 2,-0.2 -0.217 59.9-115.6 -53.7 152.1 -13.1 38.0 7.7 10 10 A L - 0 0 122 -3,-0.1 2,-0.9 1,-0.0 260,-0.1 -0.578 14.3-109.9 -97.7 157.9 -16.2 36.2 8.9 11 11 A I - 0 0 10 -2,-0.2 34,-0.2 31,-0.2 35,-0.1 -0.796 50.8-157.1 -79.0 108.5 -19.9 36.7 8.3 12 12 A T - 0 0 11 -2,-0.9 255,-0.4 126,-0.2 128,-0.3 -0.608 11.6-120.7 -97.8 151.8 -20.8 38.0 11.7 13 13 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.494 7.8-150.7 -79.3 155.9 -24.1 38.1 13.6 14 14 A C S S+ 0 0 108 -2,-0.1 2,-0.2 2,-0.1 3,-0.0 0.788 82.6 11.3 -95.0 -36.2 -25.7 41.4 14.8 15 15 A A S S- 0 0 70 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.438 101.3 -77.1-114.0-167.8 -27.5 39.9 17.8 16 16 A A - 0 0 99 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.657 54.0-138.0 -84.4 158.3 -27.3 36.6 19.5 17 17 A E - 0 0 52 -2,-0.3 2,-0.4 -3,-0.0 24,-0.1 -0.966 3.4-136.5-128.0 137.0 -29.1 33.9 17.5 18 18 A E + 0 0 82 -2,-0.4 3,-0.1 1,-0.2 21,-0.0 -0.733 21.0 173.4 -87.7 137.7 -31.4 31.1 18.5 19 19 A S + 0 0 32 -2,-0.4 20,-2.0 19,-0.1 2,-0.2 0.775 60.8 60.2-105.2 -44.1 -31.0 27.8 16.8 20 20 A K B S-F 38 0C 117 18,-0.2 18,-0.2 1,-0.1 15,-0.1 -0.532 87.8-105.4 -91.9 152.5 -33.4 25.5 18.7 21 21 A L - 0 0 8 16,-0.8 2,-0.4 13,-0.5 -1,-0.1 -0.628 40.5-114.8 -77.2 126.2 -37.1 25.8 19.1 22 22 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 5,-0.1 -0.477 25.3-120.2 -65.6 115.0 -38.1 27.1 22.6 23 23 A I + 0 0 134 -2,-0.4 3,-0.1 4,-0.1 -3,-0.0 -0.419 51.0 164.1 -56.8 108.5 -40.0 24.4 24.6 24 24 A N > - 0 0 48 -2,-0.5 4,-2.9 1,-0.1 5,-0.3 -0.998 48.0-126.9-141.7 133.1 -43.3 26.3 25.2 25 25 A P H > S+ 0 0 112 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.828 112.3 43.6 -45.9 -44.4 -46.8 25.1 26.3 26 26 A L H >4 S+ 0 0 66 2,-0.2 3,-1.2 1,-0.2 4,-0.5 0.964 113.3 49.6 -67.0 -54.5 -48.5 26.8 23.3 27 27 A S H >> S+ 0 0 4 1,-0.3 4,-2.4 2,-0.2 3,-2.1 0.914 109.0 54.6 -44.6 -52.0 -45.9 25.7 20.7 28 28 A N H 3< S+ 0 0 75 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.705 96.5 63.1 -63.8 -24.6 -46.2 22.2 22.0 29 29 A S T << S+ 0 0 41 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.586 115.3 34.9 -75.8 -10.2 -50.0 22.1 21.6 30 30 A L T <4 S+ 0 0 0 -3,-2.1 2,-0.4 -4,-0.5 -2,-0.2 0.752 133.7 16.1-103.8 -41.5 -49.3 22.5 17.9 31 31 A L < - 0 0 1 -4,-2.4 -1,-0.3 461,-0.2 461,-0.2 -0.952 54.4-176.2-147.3 116.2 -46.1 20.5 17.4 32 32 A R S S+ 0 0 144 459,-2.4 2,-2.1 -2,-0.4 459,-0.2 0.849 72.8 70.6 -85.1 -38.7 -44.7 18.0 19.9 33 33 A H > + 0 0 65 457,-1.8 3,-1.9 1,-0.2 4,-0.2 -0.398 56.1 165.0 -83.3 65.7 -41.4 17.0 18.3 34 34 A H G > + 0 0 56 -2,-2.1 3,-1.2 1,-0.3 -13,-0.5 0.696 63.3 71.8 -59.9 -20.0 -39.6 20.3 19.0 35 35 A N G 3 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.400 88.0 63.6 -79.3 5.7 -36.2 18.8 18.3 36 36 A M G < S+ 0 0 40 -3,-1.9 111,-2.4 454,-0.1 2,-0.5 0.521 88.1 82.5-101.3 -8.3 -36.9 18.5 14.5 37 37 A V E < + G 0 146C 6 -3,-1.2 -16,-0.8 -4,-0.2 2,-0.3 -0.853 54.4 165.7-101.5 126.9 -37.2 22.3 14.1 38 38 A Y E -FG 20 145C 8 107,-1.9 107,-2.5 -2,-0.5 2,-0.4 -0.943 25.8-141.2-132.3 157.1 -34.1 24.5 13.7 39 39 A A E - G 0 144C 3 -20,-2.0 105,-0.2 -2,-0.3 2,-0.1 -0.926 29.7-111.9-112.2 144.6 -33.4 28.0 12.5 40 40 A T - 0 0 5 103,-2.1 2,-0.2 -2,-0.4 -22,-0.1 -0.453 40.5-179.4 -74.0 148.8 -30.4 28.9 10.4 41 41 A T > - 0 0 10 -2,-0.1 3,-1.1 101,-0.1 114,-0.5 -0.819 45.3 -90.8-139.3 176.5 -27.6 31.0 12.0 42 42 A S G > S+ 0 0 13 -2,-0.2 3,-1.8 1,-0.2 4,-0.4 0.737 112.5 76.1 -61.3 -24.9 -24.2 32.6 11.2 43 43 A R G 3 S+ 0 0 156 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.815 94.8 47.6 -61.6 -31.2 -22.5 29.4 12.4 44 44 A S G X> S+ 0 0 23 -3,-1.1 4,-1.5 1,-0.2 3,-0.8 0.408 83.6 99.7 -89.8 2.5 -23.4 27.7 9.1 45 45 A A H <> S+ 0 0 3 -3,-1.8 4,-2.9 1,-0.2 5,-0.2 0.887 73.1 59.8 -58.5 -45.0 -22.2 30.5 6.9 46 46 A S H 3> S+ 0 0 67 -4,-0.4 4,-1.1 -3,-0.4 -1,-0.2 0.841 106.6 50.7 -50.9 -34.7 -18.8 29.0 6.0 47 47 A L H <> S+ 0 0 103 -3,-0.8 4,-1.7 2,-0.2 3,-0.3 0.902 108.9 47.8 -73.6 -44.7 -20.7 26.1 4.5 48 48 A R H X S+ 0 0 33 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.910 107.4 59.7 -58.6 -41.3 -23.0 28.2 2.4 49 49 A Q H X S+ 0 0 33 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.827 104.3 49.1 -59.6 -33.6 -19.9 30.1 1.3 50 50 A K H >< S+ 0 0 180 -4,-1.1 3,-0.6 -3,-0.3 -1,-0.2 0.919 110.3 48.8 -73.3 -43.5 -18.3 26.9 -0.1 51 51 A K H 3< S+ 0 0 97 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.767 116.9 45.1 -58.5 -25.2 -21.4 25.9 -2.1 52 52 A V H 3< S+ 0 0 10 -4,-1.3 2,-0.8 -5,-0.2 -1,-0.2 0.489 90.8 84.0-111.8 -8.2 -21.7 29.3 -3.5 53 53 A T << + 0 0 34 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.1 -0.836 58.2 121.3-107.6 101.9 -18.2 30.3 -4.6 54 54 A F - 0 0 41 -2,-0.8 -51,-2.8 170,-0.2 2,-0.4 -0.935 60.2 -94.0-150.7 171.7 -17.2 29.1 -8.0 55 55 A D B -A 2 0A 73 -2,-0.3 2,-0.5 -53,-0.2 -53,-0.2 -0.766 36.1-141.8 -92.2 130.0 -16.1 30.0 -11.6 56 56 A R - 0 0 11 -55,-2.0 2,-0.7 -2,-0.4 169,-0.0 -0.824 11.8-167.5-100.1 126.9 -18.8 30.5 -14.2 57 57 A L + 0 0 143 -2,-0.5 2,-0.4 285,-0.2 288,-0.2 -0.948 18.4 175.9-110.6 106.4 -18.2 29.3 -17.7 58 58 A Q - 0 0 43 -2,-0.7 2,-0.4 286,-0.1 286,-0.2 -0.924 10.6-178.1-118.0 138.9 -20.9 30.7 -19.9 59 59 A V - 0 0 96 284,-2.1 2,-0.2 -2,-0.4 286,-0.1 -0.972 12.0-152.1-143.0 122.3 -21.2 30.4 -23.6 60 60 A L - 0 0 46 -2,-0.4 2,-0.2 284,-0.1 284,-0.0 -0.629 15.3-177.2 -99.3 151.7 -24.0 32.0 -25.7 61 61 A D > - 0 0 44 -2,-0.2 4,-1.8 1,-0.0 3,-0.4 -0.748 44.6 -75.9-136.3-176.4 -25.4 30.8 -29.0 62 62 A D H > S+ 0 0 127 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.873 123.2 53.2 -47.8 -47.4 -27.8 31.5 -31.8 63 63 A H H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 106.0 52.7 -60.9 -43.4 -30.9 30.5 -29.8 64 64 A Y H > S+ 0 0 2 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.914 111.5 45.3 -60.6 -46.0 -30.1 32.8 -26.9 65 65 A R H X S+ 0 0 125 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.799 109.0 55.2 -70.8 -30.8 -29.8 35.9 -29.1 66 66 A D H X S+ 0 0 81 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.920 111.4 46.2 -65.6 -39.1 -32.9 35.1 -31.0 67 67 A V H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.897 108.8 53.5 -69.1 -40.6 -34.8 35.0 -27.7 68 68 A L H X S+ 0 0 21 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.939 105.2 56.7 -59.9 -44.9 -33.2 38.2 -26.4 69 69 A K H X S+ 0 0 151 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.920 106.9 48.0 -48.3 -50.0 -34.4 39.9 -29.6 70 70 A E H X S+ 0 0 85 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.889 112.2 49.6 -63.6 -39.4 -38.0 38.9 -28.9 71 71 A M H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.897 108.9 50.7 -66.6 -42.5 -37.8 40.1 -25.3 72 72 A K H X S+ 0 0 89 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.905 108.2 54.1 -65.3 -38.0 -36.3 43.5 -26.2 73 73 A A H < S+ 0 0 64 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.876 110.1 46.3 -59.2 -40.9 -39.0 44.1 -28.8 74 74 A K H >< S+ 0 0 73 -4,-1.4 3,-1.0 1,-0.2 4,-0.2 0.859 108.5 55.3 -74.6 -34.9 -41.7 43.4 -26.2 75 75 A A H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.772 93.3 70.8 -63.8 -28.7 -40.0 45.7 -23.6 76 76 A S T 3< S+ 0 0 78 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.691 87.8 67.5 -62.6 -20.5 -40.0 48.6 -26.1 77 77 A T T < S+ 0 0 113 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.749 85.3 96.5 -63.3 -29.4 -43.8 48.6 -25.5 78 78 A V < - 0 0 7 -3,-1.9 164,-2.5 -4,-0.2 2,-0.4 -0.420 50.2-169.7 -86.7 141.2 -43.3 49.8 -22.0 79 79 A K B -h 242 0D 157 162,-0.2 2,-0.4 -2,-0.2 164,-0.2 -0.993 13.8-173.9-121.2 128.9 -43.4 53.4 -20.5 80 80 A A - 0 0 7 162,-1.9 164,-0.4 -2,-0.4 2,-0.3 -0.964 10.9-143.2-129.9 140.6 -42.3 53.8 -16.9 81 81 A K - 0 0 117 -2,-0.4 94,-0.4 162,-0.1 2,-0.4 -0.701 21.5-111.5-104.4 152.3 -42.3 56.9 -14.6 82 82 A L - 0 0 47 -2,-0.3 2,-0.3 93,-0.1 90,-0.2 -0.652 35.5-126.9 -69.9 128.4 -39.9 58.2 -12.0 83 83 A L - 0 0 13 88,-2.1 2,-0.1 -2,-0.4 -1,-0.0 -0.608 23.0-119.1 -72.0 137.4 -41.4 57.8 -8.5 84 84 A S >> - 0 0 47 -2,-0.3 4,-2.1 1,-0.1 3,-0.6 -0.500 28.0-109.7 -69.7 150.2 -41.4 61.1 -6.5 85 85 A I H 3> S+ 0 0 22 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.784 119.3 60.0 -52.9 -29.3 -39.3 60.8 -3.3 86 86 A E H 3> S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.945 106.1 44.9 -63.2 -50.3 -42.6 61.0 -1.4 87 87 A E H <> S+ 0 0 79 -3,-0.6 4,-0.8 1,-0.2 -2,-0.2 0.924 111.6 52.5 -62.5 -44.3 -43.9 57.8 -3.0 88 88 A A H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.2 0.907 107.8 52.0 -60.4 -43.9 -40.7 56.0 -2.6 89 89 A C H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.897 106.2 53.1 -57.3 -43.6 -40.6 56.8 1.1 90 90 A K H 3< S+ 0 0 104 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.639 101.7 61.7 -71.1 -12.6 -44.2 55.5 1.7 91 91 A L T << S+ 0 0 20 -3,-0.9 468,-1.9 -4,-0.8 -1,-0.3 0.466 82.8 103.8 -86.5 -5.6 -43.1 52.2 -0.0 92 92 A T S < S- 0 0 0 -3,-1.6 466,-0.1 -4,-0.2 465,-0.1 -0.681 79.1-119.3 -84.0 125.5 -40.5 51.6 2.8 93 93 A P > - 0 0 15 0, 0.0 3,-1.9 0, 0.0 16,-0.1 -0.395 20.5-124.1 -63.2 139.8 -41.5 49.0 5.4 94 94 A P T 3 S+ 0 0 36 0, 0.0 12,-0.3 0, 0.0 11,-0.1 0.707 109.8 43.1 -60.7 -25.6 -41.8 50.6 8.9 95 95 A H T 3 S+ 0 0 157 10,-0.1 3,-0.1 9,-0.1 -3,-0.0 0.168 82.8 138.4-108.3 16.8 -39.3 48.0 10.3 96 96 A S < - 0 0 17 -3,-1.9 9,-0.6 1,-0.1 10,-0.1 -0.163 68.7 -79.6 -56.7 153.2 -36.8 48.2 7.5 97 97 A A - 0 0 53 7,-0.1 -1,-0.1 1,-0.1 66,-0.1 -0.360 54.5-113.6 -61.2 131.1 -33.1 48.2 8.4 98 98 A K - 0 0 166 -3,-0.1 65,-0.3 1,-0.1 6,-0.2 -0.105 30.4 -99.8 -67.1 161.0 -31.9 51.7 9.5 99 99 A S > - 0 0 6 4,-2.5 3,-0.7 63,-0.1 4,-0.3 -0.429 13.9-132.9 -77.4 154.0 -29.3 53.8 7.6 100 100 A K T 3 S+ 0 0 116 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.609 101.5 69.6 -72.6 -15.5 -25.6 54.1 8.5 101 101 A F T 3 S- 0 0 115 2,-0.2 -1,-0.2 1,-0.0 3,-0.1 0.070 123.0 -81.7-105.0 25.5 -26.1 57.8 8.1 102 102 A G S < S+ 0 0 48 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.785 94.5 80.9 94.1 32.5 -28.2 58.6 11.1 103 103 A Y - 0 0 8 -4,-0.3 -4,-2.5 11,-0.1 -1,-0.3 -0.980 52.0-149.2-158.1 164.1 -31.9 57.8 10.4 104 104 A G > - 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0 0 25 -2,-0.7 -103,-2.1 -102,-0.0 2,-0.3 -0.990 36.5-129.9-134.1 142.7 -35.1 30.9 8.5 144 144 A V E +G 39 0C 15 -2,-0.3 2,-0.3 -105,-0.2 -105,-0.2 -0.691 30.8 165.4 -94.1 146.3 -36.7 27.9 10.2 145 145 A F E -G 38 0C 16 -107,-2.5 -107,-1.9 -2,-0.3 2,-0.4 -0.882 36.7-106.9-141.3 172.7 -37.0 24.4 8.7 146 146 A C E -G 37 0C 19 -2,-0.3 -109,-0.2 -109,-0.2 242,-0.1 -0.884 52.8 -89.8-102.2 142.7 -37.7 20.8 9.6 147 147 A V - 0 0 44 -111,-2.4 -1,-0.1 -2,-0.4 -111,-0.0 -0.177 50.6-101.1 -52.7 139.7 -34.8 18.4 9.6 148 148 A Q - 0 0 84 1,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 -0.203 15.3-132.5 -62.8 145.8 -34.2 16.6 6.3 149 149 A P 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.972 360.0 360.0 -53.3 -83.4 -35.3 13.0 5.7 150 150 A E 0 0 164 -3,-0.0 -2,-0.0 0, 0.0 -3,-0.0 0.901 360.0 360.0 -53.5 360.0 -31.9 12.0 4.2 151 ! 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 0.0 152 154 A R 0 0 148 0, 0.0 -5,-0.1 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 137.0 -29.5 20.1 7.5 153 155 A K - 0 0 112 1,-0.0 2,-0.2 3,-0.0 -109,-0.1 -0.588 360.0-133.2 -86.9 137.5 -29.5 23.4 5.6 154 156 A P - 0 0 27 0, 0.0 -109,-0.1 0, 0.0 -114,-0.1 -0.543 40.3 -90.6 -76.0 147.2 -26.8 26.1 5.8 155 157 A A - 0 0 0 -114,-0.5 2,-0.2 -2,-0.2 -13,-0.1 -0.217 41.4-121.3 -57.2 148.1 -27.9 29.7 6.3 156 158 A R - 0 0 105 -15,-0.3 -15,-3.6 -3,-0.1 2,-0.6 -0.601 24.9-116.1 -86.6 157.4 -28.6 31.7 3.1 157 159 A L E -C 140 0B 19 -17,-0.2 2,-0.4 -2,-0.2 -17,-0.2 -0.845 22.8-161.0-101.2 119.4 -26.6 34.9 2.5 158 160 A I E -C 139 0B 38 -19,-2.8 -19,-2.4 -2,-0.6 2,-0.4 -0.804 8.2-173.9 -94.8 135.4 -28.4 38.2 2.3 159 161 A V E +C 138 0B 1 -2,-0.4 122,-1.8 -21,-0.2 -21,-0.2 -0.989 14.7 157.8-132.4 124.0 -26.6 41.1 0.6 160 162 A F E -C 137 0B 52 -23,-2.2 -23,-3.0 -2,-0.4 122,-0.1 -0.998 32.8-123.2-152.3 147.2 -28.1 44.6 0.6 161 163 A P E -C 136 0B 0 0, 0.0 -25,-0.2 0, 0.0 5,-0.1 -0.402 49.7 -71.7 -87.3 167.2 -27.2 48.3 0.3 162 164 A D >> - 0 0 19 -27,-0.6 4,-1.9 -2,-0.1 3,-0.6 -0.088 46.9-105.4 -55.0 154.7 -27.9 51.1 2.7 163 165 A L H 3> S+ 0 0 0 -65,-0.3 4,-1.8 1,-0.3 5,-0.2 0.849 118.8 55.9 -49.7 -44.5 -31.4 52.4 3.3 164 166 A G H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.892 107.3 49.6 -60.2 -39.5 -30.8 55.6 1.4 165 167 A V H <> S+ 0 0 14 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.920 106.3 56.6 -66.3 -39.4 -29.8 53.6 -1.7 166 168 A R H X S+ 0 0 13 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.863 105.0 50.6 -62.6 -36.6 -32.9 51.4 -1.4 167 169 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.892 109.1 52.9 -67.2 -35.7 -35.2 54.4 -1.6 168 170 A C H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.884 104.3 55.8 -66.7 -37.3 -33.3 55.6 -4.7 169 171 A E H X S+ 0 0 4 -4,-2.3 4,-3.4 2,-0.2 5,-0.4 0.939 106.2 51.1 -55.6 -47.7 -33.9 52.2 -6.3 170 172 A K H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 5,-0.4 0.938 109.0 50.5 -58.4 -47.6 -37.6 52.6 -5.8 171 173 A M H < S+ 0 0 24 -4,-2.0 -88,-2.1 1,-0.2 -1,-0.2 0.929 120.9 34.8 -54.9 -49.0 -37.6 56.0 -7.4 172 174 A A H < S+ 0 0 4 -4,-2.4 4,-0.2 -90,-0.2 -2,-0.2 0.838 135.4 16.1 -72.6 -35.8 -35.7 54.7 -10.4 173 175 A L H X S+ 0 0 0 -4,-3.4 4,-3.0 -5,-0.2 5,-0.2 0.485 88.1 94.8-129.9 -5.8 -37.1 51.2 -10.8 174 176 A Y H X S+ 0 0 41 -4,-2.4 4,-1.3 -5,-0.4 5,-0.2 0.944 96.7 42.0 -60.2 -49.0 -40.3 50.5 -8.9 175 177 A D H >> S+ 0 0 37 -5,-0.4 4,-1.7 -94,-0.4 3,-0.7 0.964 116.8 48.0 -62.7 -52.5 -42.5 51.2 -11.9 176 178 A V H >> S+ 0 0 2 1,-0.2 4,-3.2 -4,-0.2 3,-0.6 0.951 112.7 48.6 -47.4 -55.9 -40.2 49.4 -14.3 177 179 A V H 3< S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.2 375,-0.2 0.711 114.3 45.9 -65.9 -21.0 -40.0 46.4 -12.1 178 180 A S H << S+ 0 0 13 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.726 125.1 29.5 -86.5 -25.1 -43.8 46.2 -11.6 179 181 A T H S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.859 107.0 51.0 -52.4 -42.6 -41.9 41.5 -16.7 182 184 A Q H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.947 112.3 46.3 -56.6 -50.3 -45.5 41.1 -17.6 183 185 A A H < S+ 0 0 30 -4,-1.3 -1,-0.2 -3,-0.3 -3,-0.1 0.908 118.2 43.5 -58.0 -43.1 -44.9 42.9 -21.0 184 186 A V H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.883 127.5 25.2 -74.2 -39.7 -41.8 40.8 -21.7 185 187 A M H >< S- 0 0 4 -4,-3.0 3,-2.2 -5,-0.2 -2,-0.2 0.451 84.5-168.1-108.8 -2.3 -43.0 37.3 -20.6 186 188 A G G >< S- 0 0 24 -4,-2.1 3,-1.8 -5,-0.3 -1,-0.2 -0.187 72.0 -2.4 51.4-130.4 -46.8 37.6 -21.1 187 189 A S G 3 S+ 0 0 66 1,-0.3 -1,-0.3 125,-0.0 -5,-0.1 0.586 125.5 71.9 -74.1 -6.2 -48.8 34.8 -19.6 188 190 A S G < S+ 0 0 15 -3,-2.2 125,-2.7 -6,-0.1 2,-0.9 0.575 70.0 103.9 -81.0 -9.5 -45.6 33.0 -18.5 189 191 A Y B X -i 313 0E 1 -3,-1.8 3,-1.1 123,-0.2 125,-0.1 -0.647 58.0-163.7 -79.5 108.0 -45.0 35.7 -15.8 190 192 A G G > S+ 0 0 0 123,-2.6 3,-1.2 -2,-0.9 124,-0.2 0.749 75.6 64.2 -65.4 -30.4 -46.0 33.8 -12.7 191 193 A F G 3 S+ 0 0 25 122,-0.4 -1,-0.2 1,-0.3 123,-0.1 0.487 86.0 72.1 -79.1 -3.5 -46.4 36.8 -10.2 192 194 A Q G < S+ 0 0 44 -3,-1.1 2,-0.4 2,-0.1 -1,-0.3 0.534 89.2 83.9 -81.6 -4.9 -49.3 38.3 -12.1 193 195 A Y S < S- 0 0 25 -3,-1.2 357,-0.1 -4,-0.1 358,-0.0 -0.809 71.5-137.1-109.8 137.2 -51.5 35.5 -10.9 194 196 A S > - 0 0 9 -2,-0.4 4,-3.1 355,-0.1 5,-0.3 -0.443 46.1 -98.0 -70.7 160.2 -53.5 34.8 -7.7 195 197 A P H > S+ 0 0 5 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.874 128.4 48.9 -52.3 -39.2 -53.1 31.2 -6.5 196 198 A K H > S+ 0 0 81 268,-0.5 4,-2.3 2,-0.2 5,-0.2 0.954 111.5 47.7 -62.8 -52.3 -56.4 30.5 -8.1 197 199 A Q H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 109.6 53.9 -56.9 -40.6 -55.5 32.1 -11.4 198 200 A R H X S+ 0 0 7 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.901 109.4 48.6 -60.6 -41.3 -52.1 30.3 -11.4 199 201 A V H X S+ 0 0 5 -4,-1.7 4,-2.9 -5,-0.3 5,-0.3 0.894 108.6 52.6 -64.2 -41.4 -54.0 27.0 -11.0 200 202 A E H X S+ 0 0 115 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.927 109.7 50.9 -62.1 -42.8 -56.3 27.9 -13.9 201 203 A F H X S+ 0 0 29 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.940 113.0 43.8 -58.1 -51.6 -53.3 28.5 -16.0 202 204 A L H X S+ 0 0 12 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.974 116.0 45.3 -61.8 -55.4 -51.7 25.2 -15.2 203 205 A V H X S+ 0 0 9 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.885 115.5 47.5 -58.5 -40.9 -54.8 23.1 -15.6 204 206 A N H X S+ 0 0 89 -4,-2.6 4,-1.1 -5,-0.3 -1,-0.2 0.926 113.3 48.2 -66.7 -41.4 -55.8 24.8 -18.8 205 207 A T H >< S+ 0 0 14 -4,-2.5 3,-0.6 -5,-0.3 4,-0.2 0.919 111.9 50.6 -62.6 -42.7 -52.3 24.5 -20.2 206 208 A W H >< S+ 0 0 36 -4,-3.1 3,-0.9 1,-0.2 -1,-0.2 0.874 110.4 48.9 -63.9 -37.6 -52.2 20.8 -19.2 207 209 A K H 3< S+ 0 0 138 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.629 99.5 66.1 -81.3 -13.8 -55.5 20.1 -20.8 208 210 A S T << S+ 0 0 76 -4,-1.1 2,-0.3 -3,-0.6 -1,-0.2 0.476 86.2 89.3 -86.2 -2.0 -54.6 21.7 -24.1 209 211 A K S < S- 0 0 14 -3,-0.9 114,-0.0 -4,-0.2 99,-0.0 -0.765 72.5-142.5 -97.2 141.1 -52.0 19.1 -24.8 210 212 A K S S+ 0 0 194 -2,-0.3 -1,-0.2 1,-0.3 113,-0.1 0.994 101.1 3.8 -62.5 -63.4 -52.8 15.9 -26.6 211 213 A C S S- 0 0 70 113,-0.2 113,-3.4 -3,-0.1 -1,-0.3 -0.897 93.1-146.0-121.1 104.3 -50.4 13.9 -24.4 212 214 A P E +J 323 0E 27 0, 0.0 2,-0.3 0, 0.0 111,-0.2 -0.410 20.7 176.9 -77.3 137.8 -49.1 16.3 -21.7 213 215 A M E +J 322 0E 0 109,-2.5 109,-3.5 -2,-0.1 2,-0.3 -0.989 9.5 176.3-129.3 143.0 -45.6 16.1 -20.2 214 216 A G E -JK 321 355E 0 141,-2.6 141,-3.2 -2,-0.3 2,-0.3 -0.959 8.8-179.4-142.0 160.8 -44.2 18.5 -17.7 215 217 A F E -J 320 0E 1 105,-2.3 105,-2.4 -2,-0.3 2,-0.3 -0.985 20.3-136.3-154.6 155.1 -41.2 19.2 -15.5 216 218 A S E -J 319 0E 44 137,-0.3 2,-0.4 -2,-0.3 103,-0.2 -0.797 19.2-149.8-102.4 154.2 -39.8 21.6 -12.9 217 219 A Y E -J 318 0E 4 101,-2.2 2,-0.7 -2,-0.3 101,-0.7 -0.959 7.1-166.8-129.6 113.4 -36.2 22.8 -13.1 218 220 A D E -J 317 0E 68 132,-0.5 131,-3.3 -2,-0.4 2,-0.3 -0.875 10.7-155.3 -98.3 113.4 -34.2 23.7 -10.0 219 221 A T B > -M 348 0F 2 -2,-0.7 3,-0.7 97,-0.5 2,-0.6 -0.729 27.8-106.8 -88.4 143.9 -31.0 25.5 -10.8 220 222 A R T 3 S- 0 0 81 127,-1.9 5,-0.2 -2,-0.3 -1,-0.1 -0.567 88.8 -22.8 -76.1 115.1 -28.3 25.2 -8.2 221 223 A C T >> S- 0 0 27 -2,-0.6 4,-1.3 3,-0.1 3,-0.8 0.958 74.9-162.5 48.2 67.5 -27.9 28.5 -6.2 222 224 A F H <> S+ 0 0 5 -3,-0.7 4,-1.2 1,-0.3 3,-0.4 0.828 83.7 53.9 -52.9 -43.5 -29.4 30.6 -8.9 223 225 A D H >4 S+ 0 0 45 1,-0.3 55,-1.2 2,-0.2 3,-0.6 0.905 106.7 54.5 -59.2 -39.7 -28.0 33.9 -7.6 224 226 A S H <4 S+ 0 0 1 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.833 107.3 50.5 -59.8 -35.2 -24.5 32.4 -7.7 225 227 A T H 3< S+ 0 0 0 -4,-1.3 2,-0.4 -3,-0.4 -1,-0.2 0.680 81.6 106.0 -83.9 -17.3 -24.9 31.4 -11.3 226 228 A V << - 0 0 0 -4,-1.2 52,-0.4 -3,-0.6 2,-0.1 -0.505 60.8-153.4 -66.5 120.5 -26.0 34.8 -12.6 227 229 A T > - 0 0 7 -2,-0.4 4,-2.0 50,-0.1 5,-0.2 -0.417 27.4-108.5 -91.4 167.9 -23.0 36.3 -14.5 228 230 A E H > S+ 0 0 41 48,-0.3 4,-2.4 1,-0.2 5,-0.2 0.888 123.0 55.9 -62.5 -37.6 -22.0 40.0 -15.1 229 231 A S H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 104.9 53.9 -57.2 -43.7 -23.0 39.5 -18.7 230 232 A D H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.941 108.8 47.3 -54.4 -50.2 -26.5 38.4 -17.5 231 233 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.886 109.5 53.4 -62.8 -38.8 -26.9 41.5 -15.4 232 234 A R H X S+ 0 0 110 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.920 107.2 52.4 -63.1 -40.3 -25.8 43.7 -18.4 233 235 A V H X S+ 0 0 21 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.936 108.1 50.9 -60.3 -45.4 -28.4 42.0 -20.5 234 236 A E H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 3,-0.3 0.935 108.3 52.8 -54.4 -47.0 -31.1 42.8 -17.9 235 237 A E H X S+ 0 0 24 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.913 106.8 51.9 -57.8 -40.9 -30.0 46.4 -17.9 236 238 A S H < S+ 0 0 39 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.834 109.3 50.3 -67.3 -32.1 -30.4 46.6 -21.7 237 239 A I H >< S+ 0 0 2 -4,-1.8 3,-1.9 -3,-0.3 4,-0.3 0.947 109.4 50.6 -67.6 -48.6 -33.9 45.2 -21.4 238 240 A Y H >< S+ 0 0 1 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.870 105.5 58.2 -51.8 -40.2 -34.8 47.8 -18.7 239 241 A Q T 3< S+ 0 0 30 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.505 86.5 76.7 -77.1 -0.6 -33.4 50.5 -21.0 240 242 A C T < S+ 0 0 28 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.681 79.0 95.9 -77.7 -17.3 -35.9 49.5 -23.7 241 243 A C S < S- 0 0 1 -3,-1.5 2,-1.0 -4,-0.3 -162,-0.2 -0.279 92.3-105.1 -66.9 156.4 -38.6 51.3 -21.7 242 244 A D B +h 79 0D 91 -164,-2.5 -162,-1.9 -166,-0.1 2,-0.3 -0.773 59.7 175.5 -81.1 105.6 -39.5 54.9 -22.5 243 245 A L - 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