==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-FEB-05 1YVF . COMPND 2 MOLECULE: HCV NS5B POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR J.A.PFEFFERKORN,M.L.GREENE,R.A.NUGENT,R.J.GROSS,M.A.MITCHELL . 564 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 25 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 33.7 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 2 2 1 1 1 2 1 2 2 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 6 1 2 1 2 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 . 2 1 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 0 A M 0 0 181 0, 0.0 2,-0.5 0, 0.0 57,-0.2 0.000 360.0 360.0 360.0 56.8 -10.3 34.1 24.0 2 1 A S E -A 57 0A 31 55,-0.8 55,-1.0 277,-0.1 53,-0.1 -0.939 360.0-123.3-115.7 130.1 -7.1 35.3 25.6 3 2 A M E -A 56 0A 72 -2,-0.5 53,-0.2 53,-0.2 3,-0.1 -0.331 16.0-134.3 -63.3 149.8 -5.8 34.1 28.9 4 3 A S S S+ 0 0 0 51,-1.4 275,-2.6 1,-0.2 2,-0.3 0.782 85.8 3.0 -77.4 -27.1 -5.2 37.0 31.3 5 4 A Y E -B 278 0B 10 273,-0.2 2,-0.3 274,-0.1 -1,-0.2 -0.967 58.5-153.3-150.8 160.9 -1.8 35.4 32.3 6 5 A T E -B 277 0B 64 271,-1.1 271,-1.6 -2,-0.3 2,-0.4 -0.953 22.1-147.4-131.7 146.2 0.4 32.5 31.4 7 6 A W E -B 276 0B 69 -2,-0.3 269,-0.3 269,-0.2 268,-0.1 -0.959 18.1-157.2-125.8 141.4 2.8 31.1 34.0 8 7 A T - 0 0 76 267,-2.9 268,-0.1 -2,-0.4 -1,-0.1 0.730 52.2-108.3 -82.9 -23.2 6.3 29.6 33.7 9 8 A G S S+ 0 0 65 266,-0.6 2,-0.2 1,-0.5 266,-0.1 0.223 76.1 133.2 112.6 -12.4 6.1 27.7 36.9 10 9 A A - 0 0 19 264,-0.4 -1,-0.5 265,-0.3 -2,-0.2 -0.528 59.1-113.6 -73.1 139.5 8.5 29.9 38.7 11 10 A L - 0 0 129 -2,-0.2 2,-0.6 -3,-0.1 262,-0.1 -0.269 20.7-112.7 -71.0 156.0 7.3 31.0 42.1 12 11 A I - 0 0 8 31,-0.2 34,-0.1 257,-0.1 35,-0.1 -0.828 46.2-162.0 -89.1 121.0 6.5 34.6 43.0 13 12 A T - 0 0 12 -2,-0.6 257,-0.5 126,-0.3 128,-0.2 -0.720 13.6-129.5-111.4 157.9 9.2 35.5 45.5 14 13 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.515 5.0-159.1 -96.0 170.4 9.7 38.2 48.2 15 14 A C S S+ 0 0 109 -2,-0.2 3,-0.1 2,-0.1 125,-0.0 0.721 76.5 39.8-111.3 -57.6 12.8 40.4 48.6 16 15 A A S S- 0 0 75 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.070 104.2 -76.6 -81.2-174.3 12.5 41.6 52.2 17 16 A A - 0 0 87 -3,-0.1 2,-0.6 1,-0.0 -1,-0.1 -0.661 44.0-137.6 -86.5 143.8 11.4 39.5 55.2 18 17 A E - 0 0 34 -2,-0.3 2,-0.6 -3,-0.1 24,-0.1 -0.897 6.4-152.2-112.9 116.1 7.7 38.8 55.5 19 18 A E + 0 0 86 -2,-0.6 21,-0.1 1,-0.2 3,-0.0 -0.720 16.1 175.8 -83.9 117.0 5.9 39.0 58.9 20 19 A S + 0 0 46 -2,-0.6 20,-1.8 19,-0.1 -1,-0.2 0.901 62.1 40.5 -86.3 -47.6 2.9 36.8 59.0 21 20 A K S S- 0 0 156 18,-0.2 18,-0.1 1,-0.1 15,-0.1 -0.433 90.8 -92.5 -99.6 174.5 1.8 37.2 62.7 22 21 A L - 0 0 21 13,-0.3 -1,-0.1 16,-0.3 -2,-0.1 -0.584 41.0-129.3 -83.7 146.7 1.5 40.1 65.1 23 22 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 379,-0.1 0.801 32.7 -88.8 -65.1-120.8 4.6 40.8 67.3 24 23 A I + 0 0 162 377,-0.3 5,-0.0 11,-0.0 -2,-0.0 0.081 61.2 154.0-153.4 27.0 4.5 41.2 71.1 25 24 A N - 0 0 50 1,-0.1 4,-0.3 376,-0.1 376,-0.1 -0.117 37.7-149.3 -60.2 158.1 3.9 44.9 71.7 26 25 A A S S+ 0 0 88 2,-0.2 -1,-0.1 3,-0.1 375,-0.1 0.510 99.5 50.3-105.8 -12.6 2.2 46.2 74.9 27 26 A L S > S+ 0 0 66 2,-0.2 4,-0.6 373,-0.2 3,-0.3 0.711 103.5 61.0 -91.0 -31.4 0.7 49.3 73.3 28 27 A S H >> S+ 0 0 6 1,-0.3 4,-3.2 2,-0.2 3,-0.8 0.870 104.3 49.0 -62.6 -37.0 -0.7 47.1 70.6 29 28 A N H 34 S+ 0 0 76 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.663 97.8 67.8 -76.3 -16.1 -2.6 45.3 73.3 30 29 A S H 34 S+ 0 0 28 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.714 116.6 28.1 -72.8 -18.1 -3.8 48.7 74.6 31 30 A L H << S+ 0 0 0 -3,-0.8 2,-0.4 -4,-0.6 -2,-0.2 0.829 134.2 15.5-103.1 -63.8 -5.7 48.6 71.3 32 31 A L < - 0 0 3 -4,-3.2 -1,-0.4 463,-0.1 462,-0.2 -0.940 48.4-179.6-120.9 139.7 -6.4 45.0 70.4 33 32 A R S S+ 0 0 160 460,-0.7 2,-1.4 -2,-0.4 461,-0.2 0.671 73.8 72.7-106.9 -25.4 -6.2 42.0 72.6 34 33 A H > + 0 0 58 459,-2.9 3,-2.4 1,-0.2 4,-0.3 -0.397 57.5 164.5 -89.9 60.1 -7.1 39.2 70.2 35 34 A H G > + 0 0 81 -2,-1.4 3,-0.9 1,-0.3 -13,-0.3 0.663 63.1 70.3 -51.1 -21.2 -3.8 39.3 68.3 36 35 A N G 3 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.548 90.8 58.6 -77.7 -7.7 -4.5 35.9 66.7 37 36 A L G < S+ 0 0 51 -3,-2.4 111,-3.9 456,-0.1 2,-0.3 0.514 93.2 82.7 -95.2 -9.1 -7.2 37.3 64.5 38 37 A V E < +F 147 0C 5 -3,-0.9 -16,-0.3 -4,-0.3 2,-0.3 -0.708 58.2 152.8 -94.5 145.9 -4.9 39.8 63.0 39 38 A Y E -F 146 0C 7 107,-1.7 107,-2.6 -2,-0.3 2,-0.3 -0.987 33.6-132.9-168.3 160.6 -2.6 38.8 60.1 40 39 A S E -F 145 0C 11 -20,-1.8 105,-0.2 -2,-0.3 2,-0.2 -0.874 27.2-117.3-119.8 153.0 -0.7 39.9 57.0 41 40 A T - 0 0 3 103,-1.5 2,-0.3 -2,-0.3 -22,-0.1 -0.609 33.1-173.6 -86.6 150.3 -0.6 38.3 53.6 42 41 A T > - 0 0 7 -2,-0.2 3,-2.6 101,-0.1 4,-0.4 -0.946 44.9 -95.0-141.1 162.0 2.7 36.9 52.2 43 42 A S T 3 S+ 0 0 18 -2,-0.3 4,-0.4 1,-0.3 3,-0.3 0.565 111.8 83.3 -54.6 -6.1 4.1 35.5 49.0 44 43 A R T 3 S+ 0 0 164 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.861 96.9 38.2 -66.6 -34.1 3.3 32.1 50.6 45 44 A S S X> S+ 0 0 28 -3,-2.6 3,-1.4 1,-0.2 4,-1.2 0.451 87.3 106.1 -95.2 -0.4 -0.3 32.4 49.5 46 45 A A H 3> S+ 0 0 1 -4,-0.4 4,-2.1 -3,-0.3 3,-0.3 0.838 71.2 59.1 -48.8 -42.1 0.7 34.0 46.1 47 46 A S H 3> S+ 0 0 58 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.3 0.823 100.7 55.8 -62.5 -28.8 -0.1 30.9 44.1 48 47 A L H <> S+ 0 0 99 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.902 108.1 48.3 -68.2 -39.9 -3.7 30.8 45.2 49 48 A R H X S+ 0 0 50 -4,-1.2 4,-2.7 -3,-0.3 5,-0.2 0.897 106.5 58.8 -65.1 -37.6 -4.2 34.4 44.0 50 49 A Q H X S+ 0 0 25 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.931 103.4 51.2 -56.6 -47.4 -2.6 33.3 40.7 51 50 A K H >< S+ 0 0 159 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.973 112.3 47.6 -52.1 -58.8 -5.2 30.6 40.2 52 51 A K H 3< S+ 0 0 112 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.862 111.5 46.8 -49.3 -52.0 -8.0 33.3 40.8 53 52 A V H 3< S+ 0 0 9 -4,-2.7 2,-0.8 1,-0.1 -1,-0.3 0.496 97.6 88.6 -75.6 -0.4 -6.6 36.0 38.5 54 53 A T << + 0 0 34 -3,-1.5 2,-0.3 -4,-0.8 -1,-0.1 -0.808 53.9 114.6-107.9 103.3 -6.0 33.5 35.7 55 54 A F - 0 0 24 -2,-0.8 -51,-1.4 172,-0.1 2,-0.2 -0.978 63.1 -92.1-156.0 164.3 -8.8 32.8 33.3 56 55 A D E -A 3 0A 62 -2,-0.3 2,-0.5 -53,-0.2 -53,-0.2 -0.494 38.3-140.1 -77.6 149.5 -9.8 33.1 29.7 57 56 A R E -A 2 0A 8 -55,-1.0 -55,-0.8 -2,-0.2 2,-0.5 -0.963 12.4-166.0-118.0 130.4 -11.7 36.3 28.7 58 57 A L - 0 0 104 -2,-0.5 2,-0.4 287,-0.2 290,-0.3 -0.959 12.6-179.2-113.3 127.2 -14.7 36.4 26.3 59 58 A Q + 0 0 49 -2,-0.5 2,-0.5 288,-0.1 288,-0.2 -0.985 13.2 178.0-135.7 127.9 -15.7 39.7 25.0 60 59 A V - 0 0 80 286,-2.6 288,-0.1 -2,-0.4 -2,-0.0 -0.923 15.6-157.9-131.2 108.0 -18.5 40.7 22.7 61 60 A L + 0 0 57 -2,-0.5 2,-0.3 286,-0.1 -2,-0.0 -0.256 14.3 178.8 -77.7 166.0 -19.1 44.4 21.9 62 61 A D > - 0 0 39 -2,-0.0 4,-2.3 1,-0.0 3,-0.5 -0.930 45.2 -76.1-156.7 179.9 -22.3 46.0 20.7 63 62 A D H > S+ 0 0 114 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.835 124.4 54.0 -54.7 -39.3 -24.1 49.2 19.6 64 63 A H H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.890 110.3 49.5 -63.5 -37.8 -24.6 50.4 23.2 65 64 A Y H > S+ 0 0 6 -3,-0.5 4,-2.9 2,-0.2 -2,-0.2 0.992 112.3 44.5 -63.3 -61.5 -20.8 50.0 23.7 66 65 A R H X S+ 0 0 125 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.837 112.7 54.6 -53.2 -35.9 -19.8 51.9 20.6 67 66 A D H X S+ 0 0 73 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.950 111.0 41.7 -66.2 -49.2 -22.3 54.6 21.3 68 67 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.934 115.0 53.0 -63.1 -43.9 -21.1 55.3 24.8 69 68 A L H X S+ 0 0 21 -4,-2.9 4,-2.6 1,-0.2 3,-0.4 0.958 107.6 49.8 -53.9 -55.2 -17.5 55.1 23.6 70 69 A K H X S+ 0 0 156 -4,-2.9 4,-2.0 1,-0.3 -1,-0.2 0.840 110.0 52.6 -52.5 -36.8 -18.1 57.6 20.8 71 70 A E H X S+ 0 0 92 -4,-1.8 4,-1.8 2,-0.2 -1,-0.3 0.879 108.4 50.1 -67.8 -39.0 -19.7 59.9 23.4 72 71 A M H X S+ 0 0 3 -4,-2.2 4,-2.0 -3,-0.4 -2,-0.2 0.958 108.6 51.3 -64.0 -51.6 -16.6 59.6 25.6 73 72 A K H X S+ 0 0 74 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.907 105.3 57.2 -52.5 -45.6 -14.2 60.4 22.8 74 73 A A H < S+ 0 0 58 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.954 109.3 45.1 -51.2 -52.1 -16.2 63.5 21.9 75 74 A K H >< S+ 0 0 90 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.823 110.6 54.8 -62.3 -31.5 -15.7 64.7 25.5 76 75 A A H >< S+ 0 0 0 -4,-2.0 3,-2.5 1,-0.2 -1,-0.2 0.856 92.8 68.9 -72.0 -33.4 -12.1 63.9 25.4 77 76 A S T 3< S+ 0 0 76 -4,-2.3 -1,-0.2 -3,-0.4 -2,-0.2 0.566 92.3 63.4 -62.8 -5.9 -11.4 65.9 22.3 78 77 A T T < S+ 0 0 109 -3,-1.0 2,-0.4 -4,-0.2 -1,-0.3 0.221 88.0 93.2-101.1 13.1 -12.0 68.9 24.4 79 78 A V < - 0 0 9 -3,-2.5 166,-2.9 164,-0.2 2,-0.5 -0.919 54.9-164.6-113.7 131.9 -9.0 68.1 26.6 80 79 A K B -g 245 0D 150 -2,-0.4 2,-0.4 164,-0.2 166,-0.2 -0.947 10.9-173.4-116.1 122.4 -5.5 69.5 26.2 81 80 A A - 0 0 5 164,-1.4 2,-0.2 -2,-0.5 166,-0.2 -0.897 8.5-149.4-118.3 147.3 -2.6 67.8 28.0 82 81 A K - 0 0 115 -2,-0.4 96,-0.4 164,-0.1 97,-0.2 -0.663 21.6-108.7-108.6 163.2 1.0 68.8 28.4 83 82 A L - 0 0 45 -2,-0.2 2,-0.4 95,-0.1 92,-0.2 -0.503 32.5-123.2 -84.3 159.1 4.2 66.8 28.8 84 83 A L - 0 0 18 90,-1.9 2,-0.1 87,-0.2 90,-0.0 -0.905 22.5-118.6-106.4 134.1 6.0 66.8 32.1 85 84 A S > - 0 0 57 -2,-0.4 4,-2.9 1,-0.1 5,-0.3 -0.406 29.7-112.1 -66.3 145.7 9.6 68.0 32.3 86 85 A V H > S+ 0 0 16 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.882 121.2 51.6 -44.9 -42.9 11.9 65.2 33.6 87 86 A E H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.980 108.8 47.3 -59.9 -58.7 12.4 67.4 36.6 88 87 A E H > S+ 0 0 84 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.933 115.6 46.8 -48.2 -52.0 8.7 67.9 37.2 89 88 A A H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.931 106.3 57.8 -56.6 -49.2 8.1 64.2 36.8 90 89 A C H >< S+ 0 0 0 -4,-3.1 3,-1.3 -5,-0.3 -1,-0.2 0.847 102.9 55.4 -51.6 -36.6 11.1 63.3 39.1 91 90 A K H 3< S+ 0 0 129 -4,-2.0 -1,-0.3 -3,-0.5 -2,-0.2 0.778 96.7 63.0 -69.8 -26.2 9.4 65.3 41.9 92 91 A L T << S+ 0 0 23 -3,-1.4 470,-1.2 -4,-1.0 -1,-0.3 0.332 84.3 107.4 -79.0 8.3 6.2 63.3 41.7 93 92 A T S < S- 0 0 0 -3,-1.3 468,-0.1 468,-0.2 467,-0.1 -0.762 75.5-119.4 -93.6 131.5 8.3 60.3 42.7 94 93 A P > - 0 0 5 0, 0.0 3,-3.6 0, 0.0 12,-0.1 -0.550 17.7-126.9 -72.7 125.5 7.9 58.8 46.2 95 94 A P T 3 S+ 0 0 58 0, 0.0 12,-0.2 0, 0.0 11,-0.1 0.741 111.1 43.4 -37.0 -39.5 11.0 58.9 48.4 96 95 A H T 3 S+ 0 0 88 10,-0.1 3,-0.2 9,-0.1 10,-0.1 0.487 82.2 139.2 -92.8 -2.9 10.6 55.2 49.1 97 96 A S < - 0 0 11 -3,-3.6 9,-0.7 1,-0.1 10,-0.1 -0.053 69.5 -82.8 -45.2 137.2 9.8 54.1 45.5 98 97 A A - 0 0 53 1,-0.1 -1,-0.1 7,-0.1 68,-0.1 -0.122 53.8-107.4 -45.2 130.3 11.4 50.9 44.5 99 98 A K - 0 0 171 -3,-0.2 6,-0.3 1,-0.1 67,-0.2 -0.288 35.5-100.2 -64.2 143.5 15.0 51.5 43.2 100 99 A S B >> -H 104 0E 3 4,-1.8 4,-0.7 1,-0.1 3,-0.6 -0.303 20.1-133.0 -61.7 146.6 15.8 51.2 39.5 101 100 A K T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.458 101.2 74.5 -80.2 -2.7 17.4 48.0 38.5 102 101 A F T 34 S- 0 0 111 2,-0.2 -1,-0.3 14,-0.0 -2,-0.1 -0.107 123.1 -85.2-102.8 36.2 19.9 50.1 36.6 103 102 A G T <4 S+ 0 0 35 -3,-0.6 2,-0.2 1,-0.1 -2,-0.1 0.986 96.1 76.0 60.3 85.6 21.7 51.2 39.7 104 103 A Y B < -H 100 0E 14 -4,-0.7 -4,-1.8 11,-0.0 -2,-0.2 -0.548 54.3-154.6 153.5 144.4 20.1 54.2 41.4 105 104 A G > - 0 0 13 -6,-0.3 4,-2.7 -2,-0.2 5,-0.2 -0.488 41.3 -58.8-125.7-164.0 17.0 54.8 43.5 106 105 A A H > S+ 0 0 9 -9,-0.7 4,-3.4 1,-0.2 5,-0.2 0.827 126.2 46.0 -46.7 -49.7 14.4 57.2 44.7 107 106 A K H > S+ 0 0 171 -12,-0.2 4,-3.4 2,-0.2 6,-0.3 0.942 111.3 52.4 -65.2 -45.3 16.6 59.8 46.2 108 107 A D H 4>S+ 0 0 64 1,-0.2 5,-2.7 2,-0.2 -2,-0.2 0.944 115.3 43.3 -53.0 -47.5 18.9 59.8 43.2 109 108 A V H ><5S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.922 116.1 46.7 -64.7 -45.2 15.8 60.3 41.1 110 109 A R H 3<5S+ 0 0 67 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.794 110.8 51.8 -69.1 -29.1 14.4 63.0 43.5 111 110 A S T 3<5S- 0 0 75 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.189 112.2-118.5 -91.9 15.9 17.6 64.9 43.8 112 111 A L T < 5 - 0 0 63 -3,-1.2 -3,-0.2 -5,-0.1 -2,-0.1 0.807 44.8-169.7 51.1 34.1 17.9 65.0 40.0 113 112 A S >< - 0 0 28 -5,-2.7 4,-1.9 -6,-0.3 5,-0.2 -0.070 28.1-118.8 -50.3 155.5 21.1 63.0 40.2 114 113 A S H > S+ 0 0 90 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.987 109.0 50.2 -62.4 -61.2 23.1 62.9 37.0 115 114 A R H >> S+ 0 0 165 1,-0.2 4,-2.3 2,-0.2 3,-0.8 0.898 112.9 46.3 -44.4 -55.5 23.0 59.1 36.5 116 115 A A H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.960 110.9 49.5 -55.3 -59.0 19.2 58.8 37.0 117 116 A V H 3X S+ 0 0 27 -4,-1.9 4,-1.2 1,-0.2 -1,-0.3 0.678 111.1 55.1 -56.9 -15.5 18.3 61.7 34.7 118 117 A N H X S+ 0 0 29 -4,-2.5 4,-1.6 -5,-0.2 3,-1.4 0.982 110.9 48.3 -59.5 -57.1 12.3 58.1 27.1 125 124 A K H 3X S+ 0 0 118 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.875 109.0 56.5 -50.2 -40.3 14.3 58.3 23.8 126 125 A D H 3X S+ 0 0 70 -4,-2.9 4,-2.5 1,-0.2 -1,-0.3 0.803 101.9 54.8 -63.7 -31.0 13.9 54.5 23.5 127 126 A L H << S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-1.4 -2,-0.2 0.904 107.9 49.8 -69.3 -39.7 10.1 54.8 23.8 128 127 A L H < S+ 0 0 44 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.778 118.8 37.6 -68.8 -28.1 10.0 57.2 20.8 129 128 A E H < S+ 0 0 137 -4,-1.4 2,-0.5 -5,-0.2 -2,-0.2 0.826 116.8 46.5 -96.1 -34.3 12.2 54.9 18.7 130 129 A D < + 0 0 43 -4,-2.5 -1,-0.2 -5,-0.2 130,-0.1 -0.946 54.6 168.9-112.4 125.7 11.0 51.5 19.6 131 130 A T S S+ 0 0 40 -2,-0.5 -1,-0.1 -3,-0.1 128,-0.1 0.259 71.0 41.9-117.1 11.0 7.2 50.9 19.6 132 131 A D S S+ 0 0 109 128,-0.1 -2,-0.0 2,-0.1 3,-0.0 0.654 72.8 106.1-132.0 -23.2 6.9 47.2 19.9 133 132 A T S S- 0 0 74 1,-0.1 2,-0.1 0, 0.0 -3,-0.1 -0.487 73.4-118.2 -70.7 119.9 9.4 45.6 22.2 134 133 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 127,-0.2 -0.329 26.6-128.5 -57.0 127.0 7.5 44.5 25.4 135 134 A I - 0 0 19 125,-2.4 129,-0.0 129,-0.3 2,-0.0 -0.631 25.8-112.5 -81.7 135.3 8.9 46.3 28.4 136 135 A Q - 0 0 93 -2,-0.3 29,-0.5 129,-0.1 2,-0.3 -0.299 36.0-172.8 -67.1 151.5 9.9 44.1 31.4 137 136 A T E -Cd 164 267B 2 129,-1.0 131,-2.2 27,-0.2 2,-0.4 -0.949 18.2-129.1-142.3 160.6 7.9 44.2 34.6 138 137 A T E -Cd 163 268B 39 25,-3.4 25,-2.5 -2,-0.3 2,-0.5 -0.908 13.9-154.4-114.9 142.6 8.2 42.7 38.1 139 138 A I E +C 162 0B 0 129,-2.2 -126,-0.3 -2,-0.4 2,-0.3 -0.967 18.5 171.6-119.5 121.0 5.4 40.9 40.0 140 139 A M E -C 161 0B 30 21,-2.1 21,-2.2 -2,-0.5 2,-0.6 -0.806 35.4-114.7-122.3 165.2 5.4 40.8 43.7 141 140 A A E -C 160 0B 8 -2,-0.3 19,-0.2 19,-0.2 -98,-0.2 -0.905 36.9-127.2-100.3 122.1 2.8 39.6 46.3 142 141 A K - 0 0 67 17,-3.2 2,-0.6 -2,-0.6 17,-0.2 -0.262 11.7-140.9 -67.2 155.8 1.4 42.5 48.3 143 142 A N + 0 0 68 15,-0.1 2,-0.3 -103,-0.1 -101,-0.1 -0.882 34.0 157.2-123.6 99.6 1.5 42.3 52.1 144 143 A E - 0 0 28 -2,-0.6 -103,-1.5 15,-0.0 2,-0.3 -0.916 36.5-120.5-124.3 149.6 -1.6 43.7 53.7 145 144 A V E +F 40 0C 10 -2,-0.3 -105,-0.3 -105,-0.2 2,-0.2 -0.709 36.1 161.5 -93.5 139.6 -3.2 43.1 57.1 146 145 A F E -F 39 0C 30 -107,-2.6 -107,-1.7 -2,-0.3 2,-0.4 -0.800 38.1-100.4-140.0 179.9 -6.7 41.8 57.6 147 146 A C E -F 38 0C 6 -2,-0.2 -109,-0.2 -109,-0.2 2,-0.1 -0.920 35.1-118.5-111.8 133.3 -8.8 40.2 60.3 148 147 A V + 0 0 24 -111,-3.9 7,-0.1 -2,-0.4 -111,-0.0 -0.460 39.1 169.5 -69.1 141.5 -9.4 36.4 60.3 149 148 A Q B > > -I 154 0F 51 5,-1.1 3,-1.4 -2,-0.1 5,-1.1 -0.769 27.9-160.4-161.1 108.2 -13.0 35.5 59.9 150 149 A P T 3 5S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.679 82.5 83.1 -59.5 -25.5 -14.4 32.0 59.3 151 150 A E T 3 5S+ 0 0 124 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.858 105.7 34.1 -50.5 -33.9 -17.8 33.3 58.0 152 151 A K T < 5S- 0 0 161 -3,-1.4 -1,-0.3 2,-0.2 3,-0.1 0.611 130.8-100.4 -94.0 -16.6 -15.9 33.6 54.7 153 152 A G T 5 - 0 0 67 -4,-0.5 2,-0.5 1,-0.1 -2,-0.1 0.713 64.7 -63.3 105.7 25.0 -13.8 30.6 55.5 154 153 A G B - 0 0 32 -29,-0.5 4,-2.3 -2,-0.1 3,-0.5 -0.225 45.1-108.6 -63.7 150.8 11.3 49.7 36.4 166 165 A L H > S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.849 118.9 60.4 -45.7 -42.4 11.7 53.1 38.0 167 166 A G H >> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.960 108.9 42.1 -52.0 -55.2 13.1 54.5 34.8 168 167 A V H >> S+ 0 0 12 -3,-0.5 4,-2.4 1,-0.2 3,-0.8 0.936 106.8 61.8 -56.6 -51.5 9.9 53.7 33.0 169 168 A R H 3X S+ 0 0 14 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.807 103.4 50.6 -47.4 -37.0 7.7 54.9 35.8 170 169 A V H S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 5,-0.5 0.963 107.3 50.4 -51.5 -53.6 4.9 57.4 32.4 173 172 A K H X5S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 5,-0.4 0.926 110.5 49.4 -50.8 -49.9 4.6 60.5 34.6 174 173 A M H <5S+ 0 0 9 -4,-2.3 -90,-1.9 1,-0.2 -1,-0.2 0.881 120.4 34.6 -58.6 -41.7 6.1 62.7 31.8 175 174 A A H <5S+ 0 0 3 -4,-2.7 -1,-0.2 -92,-0.2 -2,-0.2 0.682 134.6 17.4 -90.3 -18.3 3.8 61.4 29.1 176 175 A L H X5S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 5,-0.2 0.518 87.7 96.9-135.4 -2.5 0.6 60.8 31.1 177 176 A Y T <> S+ 0 0 1 1,-0.2 4,-3.5 2,-0.2 3,-1.6 0.968 110.1 45.7 -65.1 -54.3 -3.9 63.1 31.2 180 179 A V T 3< S+ 0 0 1 -4,-2.7 375,-0.3 1,-0.3 -1,-0.2 0.536 113.7 51.6 -69.9 -5.5 -4.8 60.9 34.1 181 180 A S T 34 S+ 0 0 17 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.451 127.8 17.8-106.9 -4.0 -5.3 64.0 36.3 182 181 A T T <> S+ 0 0 60 -3,-1.6 4,-1.4 -4,-0.4 -2,-0.2 0.628 107.9 69.9-133.9 -39.9 -7.7 65.7 33.8 183 182 A L H X S+ 0 0 0 -4,-3.5 4,-2.1 -5,-0.3 5,-0.2 0.897 93.8 60.2 -54.0 -47.6 -9.1 63.3 31.2 184 183 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.940 108.2 39.1 -48.0 -65.5 -11.4 61.4 33.7 185 184 A Q H > S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.841 112.5 62.0 -58.5 -29.5 -13.6 64.2 34.9 186 185 A A H < S+ 0 0 35 -4,-1.4 -1,-0.2 1,-0.2 -3,-0.1 0.922 112.2 33.5 -61.5 -45.2 -13.6 65.5 31.4 187 186 A V H < S+ 0 0 0 -4,-2.1 -2,-0.2 -3,-0.5 -1,-0.2 0.880 131.7 25.8 -81.0 -39.8 -15.3 62.4 30.0 188 187 A M H >< S- 0 0 5 -4,-2.4 3,-2.2 -5,-0.2 4,-0.2 0.431 78.2-173.0-109.0 1.6 -17.6 61.3 32.9 189 188 A G G >< S+ 0 0 27 -4,-1.8 3,-2.8 -5,-0.3 -1,-0.2 -0.088 74.0 7.5 45.4-132.6 -18.4 64.5 34.9 190 189 A S G 3 S+ 0 0 60 1,-0.3 -1,-0.3 125,-0.1 5,-0.1 0.686 123.6 67.9 -53.1 -23.1 -20.3 63.8 38.1 191 190 A S G < S+ 0 0 19 -3,-2.2 125,-3.6 124,-0.1 2,-1.0 0.694 77.9 94.9 -72.1 -16.9 -19.9 60.1 37.6 192 191 A Y B X -j 316 0G 3 -3,-2.8 3,-1.2 -4,-0.2 125,-0.2 -0.652 61.1-166.0 -81.4 103.1 -16.2 60.5 38.2 193 192 A G G > S+ 0 0 0 123,-2.6 3,-2.2 -2,-1.0 124,-0.2 0.822 73.6 68.4 -56.6 -43.3 -15.7 59.7 41.9 194 193 A F G 3 S+ 0 0 21 122,-0.4 -1,-0.2 1,-0.3 360,-0.1 0.551 84.7 73.7 -61.9 -4.7 -12.2 61.0 42.6 195 194 A Q G < S+ 0 0 34 -3,-1.2 2,-0.3 -6,-0.2 -1,-0.3 0.519 88.7 81.4 -83.4 -5.1 -13.2 64.6 42.1 196 195 A Y < - 0 0 20 -3,-2.2 357,-0.1 -4,-0.1 3,-0.0 -0.778 66.4-148.1-108.3 147.9 -15.0 64.5 45.4 197 196 A S >> - 0 0 8 -2,-0.3 4,-2.9 355,-0.1 3,-0.7 -0.586 47.2 -90.4 -98.0 166.6 -13.8 64.9 49.0 198 197 A P H 3> S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.920 131.1 49.2 -41.8 -56.7 -15.6 62.9 51.7 199 198 A K H 3> S+ 0 0 101 268,-2.0 4,-1.9 1,-0.2 269,-0.1 0.837 114.6 46.9 -51.8 -38.7 -18.0 65.8 52.3 200 199 A Q H <> S+ 0 0 80 -3,-0.7 4,-2.4 267,-0.2 -1,-0.2 0.875 109.6 50.6 -74.5 -40.8 -18.6 66.0 48.6 201 200 A R H X S+ 0 0 19 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.961 111.9 48.6 -63.3 -49.3 -19.1 62.2 48.0 202 201 A V H X S+ 0 0 12 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.959 112.7 47.9 -53.5 -54.6 -21.7 62.1 50.9 203 202 A E H X S+ 0 0 115 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.882 112.6 50.3 -55.2 -39.0 -23.5 65.1 49.5 204 203 A F H X S+ 0 0 37 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.920 113.1 43.3 -69.1 -43.1 -23.5 63.5 46.0 205 204 A L H X S+ 0 0 8 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.986 116.4 47.2 -64.5 -57.0 -24.9 60.2 47.0 206 205 A V H X S+ 0 0 7 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.922 114.0 46.6 -49.4 -55.0 -27.5 61.6 49.3 207 206 A N H X S+ 0 0 90 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.888 111.7 50.6 -56.9 -44.5 -28.8 64.2 46.8 208 207 A T H < S+ 0 0 17 -4,-1.9 4,-0.4 -5,-0.2 3,-0.2 0.906 111.6 48.7 -61.8 -42.2 -28.9 61.7 44.0 209 208 A W H >< S+ 0 0 32 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.919 112.6 47.1 -64.1 -45.7 -30.9 59.3 46.1 210 209 A K H 3< S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.666 101.2 66.2 -72.8 -15.9 -33.4 62.0 47.2 211 210 A A T 3< S+ 0 0 76 -4,-1.3 2,-0.3 -3,-0.2 -1,-0.2 0.627 87.2 86.4 -80.2 -13.0 -33.8 63.3 43.6 212 211 A K S < S- 0 0 16 -3,-1.0 114,-0.0 -4,-0.4 99,-0.0 -0.652 76.1-139.2 -88.4 144.1 -35.5 60.0 42.7 213 212 A K S S+ 0 0 186 1,-0.3 -1,-0.2 -2,-0.3 113,-0.0 0.996 101.9 5.7 -61.0 -63.0 -39.2 59.5 43.2 214 213 A C S S- 0 0 69 113,-0.1 113,-2.9 -3,-0.1 -1,-0.3 -0.843 94.4-146.6-124.4 89.2 -38.7 55.9 44.4 215 214 A P E +K 326 0G 24 0, 0.0 2,-0.3 0, 0.0 111,-0.2 -0.152 21.1 175.8 -59.8 147.0 -34.9 55.4 44.6 216 215 A M E +K 325 0G 0 109,-1.9 109,-3.6 2,-0.0 2,-0.3 -0.939 7.2 174.8-152.7 127.4 -33.1 52.1 43.9 217 216 A G E -KL 324 358G 0 141,-2.0 141,-1.3 -2,-0.3 2,-0.3 -0.946 9.0-175.7-138.1 158.4 -29.4 51.5 43.9 218 217 A F E -K 323 0G 2 105,-2.5 105,-3.3 -2,-0.3 2,-0.4 -0.996 19.9-136.1-151.5 150.1 -26.8 48.8 43.6 219 218 A S E -K 322 0G 46 -2,-0.3 2,-0.6 137,-0.3 137,-0.3 -0.846 21.9-141.1-104.0 143.2 -23.1 48.3 43.8 220 219 A Y E -K 321 0G 5 101,-2.7 101,-0.7 -2,-0.4 2,-0.7 -0.922 10.5-162.9-111.5 115.9 -21.5 46.1 41.1 221 220 A D - 0 0 78 -2,-0.6 131,-1.6 132,-0.5 2,-0.4 -0.860 8.9-156.6 -99.8 112.5 -18.7 43.8 42.2 222 221 A T B > -N 351 0H 6 -2,-0.7 3,-0.6 97,-0.3 2,-0.5 -0.706 25.7-112.8 -87.3 134.8 -16.6 42.6 39.3 223 222 A R T 3 S- 0 0 106 127,-2.1 5,-0.1 -2,-0.4 -1,-0.0 -0.590 90.2 -28.9 -68.7 119.8 -14.7 39.3 39.8 224 223 A C T >> S- 0 0 44 -2,-0.5 4,-0.9 3,-0.1 3,-0.7 0.857 74.2-161.5 32.1 74.2 -11.0 40.5 39.7 225 224 A F H X> S+ 0 0 4 -3,-0.6 3,-1.6 1,-0.2 4,-1.1 0.862 81.3 58.0 -46.9 -54.1 -11.5 43.5 37.5 226 225 A D H >4 S+ 0 0 42 1,-0.3 55,-1.8 2,-0.2 3,-0.7 0.880 107.1 49.9 -48.6 -43.3 -7.8 44.0 36.4 227 226 A S H <4 S+ 0 0 0 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.738 105.6 57.7 -70.2 -20.1 -7.8 40.5 35.0 228 227 A T H << S+ 0 0 0 -3,-1.6 2,-0.2 -4,-0.9 -1,-0.2 0.710 80.0 104.0 -83.7 -17.5 -11.0 41.1 33.1 229 228 A V << - 0 0 0 -4,-1.1 52,-0.2 -3,-0.7 2,-0.2 -0.463 65.2-148.1 -64.9 125.2 -9.5 44.1 31.2 230 229 A T > - 0 0 9 -2,-0.2 4,-2.3 50,-0.1 3,-0.3 -0.562 25.6-110.8 -95.6 161.8 -8.7 42.9 27.7 231 230 A E H > S+ 0 0 54 48,-0.3 4,-2.1 1,-0.3 5,-0.2 0.888 123.7 53.8 -56.0 -35.1 -6.0 43.9 25.4 232 231 A N H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.883 103.9 54.1 -69.1 -35.0 -8.7 45.5 23.4 233 232 A D H > S+ 0 0 1 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.937 110.2 47.1 -61.8 -45.2 -9.9 47.5 26.4 234 233 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.885 110.7 50.9 -65.8 -36.6 -6.5 48.9 26.9 235 234 A R H X S+ 0 0 100 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.848 110.1 51.5 -68.2 -31.8 -6.1 49.8 23.2 236 235 A V H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.903 106.6 52.5 -69.7 -41.5 -9.5 51.5 23.5 237 236 A E H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.934 109.1 52.0 -57.8 -43.8 -8.3 53.5 26.5 238 237 A E H X S+ 0 0 20 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.946 106.4 51.1 -58.4 -50.2 -5.3 54.5 24.4 239 238 A S H < S+ 0 0 35 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.869 109.4 52.7 -57.3 -36.2 -7.5 55.7 21.6 240 239 A I H >< S+ 0 0 3 -4,-2.1 3,-1.7 1,-0.2 4,-0.4 0.952 108.0 49.3 -64.2 -48.7 -9.4 57.8 24.1 241 240 A Y H >< S+ 0 0 1 -4,-2.5 3,-2.3 1,-0.3 -2,-0.2 0.913 105.9 58.4 -55.4 -44.2 -6.2 59.4 25.4 242 241 A Q T 3< S+ 0 0 41 -4,-2.6 -1,-0.3 1,-0.3 4,-0.2 0.633 89.0 72.9 -62.8 -14.2 -5.2 60.2 21.8 243 242 A C T < S+ 0 0 39 -3,-1.7 -1,-0.3 -4,-0.5 -164,-0.2 0.696 84.0 92.7 -73.0 -15.9 -8.4 62.2 21.4 244 243 A C S < S- 0 0 2 -3,-2.3 2,-1.0 -4,-0.4 -164,-0.2 -0.182 94.8-101.5 -69.8 167.2 -6.7 64.7 23.7 245 244 A D B +g 80 0D 85 -166,-2.9 -164,-1.4 -169,-0.2 2,-0.2 -0.813 62.1 165.3 -93.4 100.4 -4.7 67.7 22.3 246 245 A L - 0 0 19 -2,-1.0 -164,-0.1 -4,-0.2 -4,-0.0 -0.656 41.9 -98.6-117.5 171.9 -1.2 66.4 22.8 247 246 A A > - 0 0 36 -166,-0.2 4,-2.9 -2,-0.2 5,-0.2 -0.600 37.0-118.3 -83.7 146.0 2.4 67.0 21.7 248 247 A P H > S+ 0 0 113 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.847 118.7 51.7 -54.8 -30.8 3.7 64.8 18.9 249 248 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.922 109.1 48.2 -71.7 -43.1 6.2 63.5 21.4 250 249 A A H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 109.5 54.6 -64.2 -39.9 3.6 62.7 24.0 251 250 A R H X S+ 0 0 83 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.928 110.3 44.2 -59.1 -47.4 1.5 60.9 21.4 252 251 A Q H X S+ 0 0 77 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.833 113.9 50.6 -67.4 -34.4 4.3 58.6 20.4 253 252 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.873 111.8 48.2 -71.4 -36.5 5.3 58.0 24.0 254 253 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.917 112.3 47.7 -70.1 -42.5 1.7 57.1 24.8 255 254 A R H X S+ 0 0 120 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.929 115.5 45.7 -64.5 -42.3 1.3 54.8 21.9 256 255 A S H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.916 111.9 48.7 -67.5 -46.4 4.6 53.1 22.7 257 256 A L H X>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-1.9 0.849 113.5 51.9 -62.4 -30.7 3.9 52.7 26.4 258 257 A T H <>S+ 0 0 1 -4,-1.8 5,-2.5 3,-0.2 6,-0.3 0.966 116.9 35.3 -69.1 -53.6 0.5 51.3 25.4 259 258 A E H <5S+ 0 0 44 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.821 128.1 37.1 -71.9 -29.9 1.8 48.7 23.0 260 259 A R H <5S+ 0 0 16 -4,-3.2 -125,-2.4 -5,-0.2 -3,-0.2 0.735 135.6 7.5 -95.9 -23.1 4.9 47.9 25.0 261 260 A L T ><5S+ 0 0 0 -4,-1.9 3,-0.5 -5,-0.4 -3,-0.2 0.724 120.6 48.9-121.7 -62.1 3.6 48.1 28.6 262 261 A Y T 3 - 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0 0 2 -55,-1.8 2,-0.4 -52,-0.2 -1,-0.1 -0.314 54.5-129.7 -58.5 133.3 -4.4 45.4 33.2 282 281 A A > - 0 0 1 -20,-0.2 3,-0.6 1,-0.1 -1,-0.1 -0.732 12.3-150.3 -83.4 134.0 -1.1 46.0 35.0 283 282 A S T 3 S+ 0 0 16 -2,-0.4 -1,-0.1 1,-0.2 -120,-0.1 0.728 86.9 47.7 -78.7 -20.0 -1.8 46.7 38.6 284 283 A G T 3 S+ 0 0 5 -122,-2.4 2,-0.2 275,-0.1 -1,-0.2 -0.228 84.1 101.5-119.5 46.8 1.1 49.0 39.2 285 284 A V S X S- 0 0 2 -3,-0.6 3,-0.8 272,-0.2 4,-0.3 -0.681 79.4-105.4-116.2 174.2 1.3 51.5 36.3 286 285 A L T 3 S+ 0 0 3 -2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.843 116.3 51.8 -68.9 -34.9 0.3 55.1 36.2 287 286 A T T 3> S+ 0 0 0 1,-0.2 4,-4.1 2,-0.1 5,-0.4 0.430 79.1 100.5 -84.6 1.5 -2.8 54.5 34.1 288 287 A T H <> S+ 0 0 10 -3,-0.8 4,-3.0 2,-0.2 5,-0.3 0.963 89.1 36.0 -51.5 -63.9 -4.3 51.8 36.4 289 288 A S H > S+ 0 0 5 268,-0.7 4,-2.3 -4,-0.3 29,-0.3 0.929 123.1 44.6 -56.0 -49.5 -6.8 54.0 38.2 290 289 A C H > S+ 0 0 1 -4,-0.5 4,-2.1 265,-0.2 -1,-0.2 0.933 116.0 47.2 -62.0 -47.5 -7.6 56.1 35.2 291 290 A G H X S+ 0 0 0 -4,-4.1 4,-2.8 2,-0.2 5,-0.3 0.940 113.0 46.2 -61.6 -49.3 -7.8 53.1 32.9 292 291 A N H X S+ 0 0 10 -4,-3.0 4,-3.3 -5,-0.4 5,-0.3 0.926 112.8 51.4 -61.8 -41.6 -10.1 51.0 35.2 293 292 A T H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.890 113.0 44.9 -61.1 -41.9 -12.3 54.0 35.8 294 293 A L H X S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.920 118.5 42.5 -69.6 -43.3 -12.7 54.7 32.1 295 294 A T H X S+ 0 0 4 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.862 114.1 50.0 -73.3 -34.9 -13.3 51.1 31.2 296 295 A C H X S+ 0 0 1 -4,-3.3 4,-2.7 -5,-0.3 5,-0.2 0.951 114.0 46.5 -66.1 -48.2 -15.6 50.4 34.2 297 296 A Y H X S+ 0 0 26 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.885 110.9 53.2 -59.1 -42.9 -17.7 53.4 33.3 298 297 A L H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.952 115.3 37.6 -61.6 -52.7 -17.8 52.5 29.6 299 298 A K H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.947 118.0 50.8 -65.0 -46.4 -19.1 49.0 30.1 300 299 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.866 110.3 48.7 -60.4 -39.8 -21.4 50.0 33.0 301 300 A A H X S+ 0 0 12 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.849 114.8 45.1 -70.8 -33.6 -22.9 52.9 31.0 302 301 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.868 112.4 52.6 -75.0 -36.4 -23.6 50.6 28.0 303 302 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.918 101.8 58.9 -64.1 -44.4 -24.9 47.9 30.4 304 303 A C H X>S+ 0 0 7 -4,-2.5 5,-1.6 1,-0.2 4,-0.9 0.899 105.7 51.7 -49.5 -43.7 -27.3 50.3 31.9 305 304 A R H ><5S+ 0 0 84 -4,-1.1 3,-0.7 2,-0.2 -1,-0.2 0.909 108.1 47.6 -63.8 -45.9 -28.8 50.8 28.5 306 305 A A H 3<5S+ 0 0 29 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.5 48.5 -63.3 -33.8 -29.2 47.2 27.7 307 306 A A H 3<5S- 0 0 9 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.606 102.3-137.5 -81.0 -12.7 -30.8 46.9 31.2 308 307 A K T <<5 - 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0 0 168 -2,-0.3 -3,-0.1 -3,-0.1 3,-0.1 -0.447 31.4-174.7 -70.7 134.3 7.0 50.1 62.0 404 403 A T - 0 0 35 -5,-0.3 3,-0.2 -2,-0.2 -2,-0.0 -0.991 23.5-149.1-131.8 121.4 5.4 51.0 58.7 405 404 A P S S+ 0 0 89 0, 0.0 40,-0.6 0, 0.0 2,-0.5 0.814 98.8 37.2 -57.1 -30.2 6.9 53.7 56.4 406 405 A V B S-r 445 0K 38 38,-0.1 40,-0.2 -3,-0.1 2,-0.0 -0.948 83.4-163.9-129.2 109.2 3.3 54.3 55.3 407 406 A N - 0 0 11 38,-1.3 40,-0.4 -2,-0.5 -11,-0.1 -0.145 15.4-158.7 -79.5-179.3 0.7 54.1 58.0 408 407 A S S > S+ 0 0 26 -13,-0.1 4,-3.2 38,-0.1 5,-0.2 0.473 78.9 76.9-133.9 -26.7 -3.1 53.7 57.4 409 408 A W H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.897 98.7 46.1 -55.7 -44.9 -4.5 54.9 60.8 410 409 A L H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.852 113.1 50.7 -66.2 -36.5 -3.8 58.6 59.9 411 410 A G H > S+ 0 0 9 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.930 110.4 48.9 -67.0 -44.2 -5.3 58.0 56.5 412 411 A N H X S+ 0 0 26 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.857 107.9 54.8 -63.9 -35.0 -8.4 56.4 58.1 413 412 A I H < S+ 0 0 0 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.885 112.4 44.0 -65.5 -36.6 -8.6 59.4 60.5 414 413 A I H < S+ 0 0 0 -4,-1.7 3,-0.4 2,-0.2 -2,-0.2 0.901 119.2 40.8 -74.9 -41.1 -8.7 61.7 57.5 415 414 A M H < S+ 0 0 47 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.823 130.5 27.5 -76.4 -31.5 -11.1 59.6 55.4 416 415 A Y S >< S+ 0 0 23 -4,-3.0 3,-2.2 -5,-0.2 6,-0.3 -0.001 73.2 134.9-122.4 31.3 -13.4 58.8 58.4 417 416 A A T 3 S+ 0 0 1 -4,-0.4 6,-0.2 -3,-0.4 -1,-0.1 0.803 74.4 53.5 -49.1 -37.8 -12.9 61.7 60.8 418 417 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.625 87.1 104.0 -77.9 -9.2 -16.7 61.9 61.5 419 418 A T S <> S- 0 0 0 -3,-2.2 4,-2.4 -34,-0.1 5,-0.2 -0.372 76.4-125.4 -74.6 153.0 -17.1 58.3 62.4 420 419 A L H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.882 110.2 46.5 -61.4 -44.3 -17.6 57.2 66.0 421 420 A W H >>S+ 0 0 0 2,-0.2 4,-2.4 3,-0.2 5,-1.2 0.899 112.4 50.4 -68.2 -40.5 -14.7 54.7 65.9 422 421 A A H 4>S+ 0 0 0 -6,-0.3 5,-2.8 3,-0.2 6,-0.3 0.961 115.7 40.6 -61.7 -53.5 -12.3 57.2 64.2 423 422 A R H <5S+ 0 0 10 -4,-2.4 5,-0.4 -7,-0.3 -2,-0.2 0.919 125.0 35.1 -61.5 -48.9 -13.0 60.0 66.7 424 423 A M H <5S+ 0 0 38 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.803 131.8 18.9 -81.7 -32.3 -13.0 57.9 69.8 425 424 A I T X5S+ 0 0 0 -4,-2.4 4,-3.6 -5,-0.3 5,-0.4 0.850 125.2 37.4-102.9 -71.8 -10.5 55.2 69.1 426 425 A L H > S+ 0 0 1 -5,-0.4 4,-1.9 -6,-0.3 -2,-0.2 0.979 114.6 47.6 -59.2 -61.2 -7.5 58.9 71.0 429 428 A H H X S+ 0 0 4 -4,-3.6 4,-2.0 1,-0.2 -2,-0.2 0.870 116.0 44.1 -49.7 -45.4 -5.0 55.9 70.7 430 429 A F H X S+ 0 0 11 -4,-2.9 4,-2.3 -5,-0.4 -1,-0.2 0.871 110.2 49.0 -77.1 -37.7 -2.6 57.7 68.4 431 430 A F H X S+ 0 0 3 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.846 111.0 58.1 -68.8 -25.0 -2.4 61.1 70.0 432 431 A S H X S+ 0 0 46 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.994 108.9 39.7 -62.5 -63.6 -1.8 59.2 73.1 433 432 A I H < S+ 0 0 20 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.858 114.2 56.1 -55.4 -39.3 1.3 57.2 71.8 434 433 A L H >X S+ 0 0 12 -4,-2.3 3,-2.9 1,-0.2 4,-0.9 0.993 107.3 47.3 -56.0 -64.2 2.6 60.4 70.1 435 434 A L H >< S+ 0 0 31 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.842 104.8 60.9 -43.4 -43.4 2.5 62.4 73.3 436 435 A A T 3< S+ 0 0 84 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.331 120.3 27.5 -70.4 10.7 4.3 59.5 75.1 437 436 A Q T <4 S- 0 0 98 -3,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.280 107.5-120.1-150.0 0.8 7.1 60.1 72.6 438 437 A E << + 0 0 162 -4,-0.9 -3,-0.2 -3,-0.8 -4,-0.1 0.962 68.5 128.2 48.9 84.0 6.8 63.8 71.7 439 438 A Q + 0 0 63 2,-0.1 3,-0.4 3,-0.1 -4,-0.1 0.095 18.9 122.4-151.3 21.3 6.2 63.6 68.0 440 439 A L S S+ 0 0 2 1,-0.2 18,-1.1 -6,-0.1 -5,-0.1 0.744 82.5 47.5 -61.4 -22.1 3.0 65.7 67.5 441 440 A E S S+ 0 0 101 16,-0.1 -1,-0.2 15,-0.1 2,-0.2 0.741 87.7 102.3 -91.2 -26.4 5.0 67.8 65.1 442 441 A K - 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