==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-FEB-06 2G25 . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE E1 COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.FUREY,P.ARJUNAN,K.CHANDRASEKHAR . 1662 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49468.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1162 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 1.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 0.1 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 . 105 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 230 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 524 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.2 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 6 7 8 2 0 6 2 7 3 2 2 4 2 2 0 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 8 6 4 2 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 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 4 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 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 56 A I 0 0 128 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 121.1 1.2 -56.8 17.1 2 57 A S - 0 0 54 1,-0.2 223,-0.1 3,-0.1 222,-0.1 -0.270 360.0 -66.4 -94.3 180.0 -2.0 -58.7 16.3 3 58 A N - 0 0 82 1,-0.1 2,-2.6 -2,-0.1 -1,-0.2 -0.294 61.6 -96.1 -62.2 154.6 -3.0 -62.4 16.6 4 59 A Y S S+ 0 0 0 252,-0.4 2,-0.3 -3,-0.1 -1,-0.1 -0.345 93.1 91.9 -75.1 62.8 -1.1 -64.7 14.3 5 60 A I S S- 0 0 45 -2,-2.6 231,-0.2 233,-0.1 -3,-0.1 -0.904 86.0 -57.9-146.0 173.0 -3.8 -64.7 11.6 6 61 A N - 0 0 27 -2,-0.3 231,-0.2 1,-0.1 -3,-0.1 -0.226 34.6-143.1 -57.7 139.9 -4.8 -62.9 8.4 7 62 A T S S+ 0 0 51 229,-2.1 -1,-0.1 1,-0.2 230,-0.1 0.872 92.8 58.5 -69.8 -39.3 -5.3 -59.1 8.7 8 63 A I S S- 0 0 22 228,-0.4 -1,-0.2 305,-0.1 -2,-0.1 -0.841 84.9-145.5 -96.1 112.6 -8.2 -59.3 6.2 9 64 A P > - 0 0 49 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.416 25.6-109.6 -76.3 154.9 -10.9 -61.7 7.4 10 65 A V G > S+ 0 0 51 1,-0.3 3,-2.6 2,-0.2 231,-0.0 0.883 118.5 62.9 -48.8 -45.0 -12.8 -63.7 4.8 11 66 A E G 3 S+ 0 0 149 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.779 111.0 39.9 -52.4 -27.6 -15.9 -61.6 5.5 12 67 A E G < S+ 0 0 148 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.217 90.5 113.4-107.8 13.5 -13.9 -58.7 4.2 13 68 A Q < - 0 0 36 -3,-2.6 3,-0.1 -4,-0.2 300,-0.1 -0.761 63.5-132.4 -91.4 117.6 -12.2 -60.6 1.4 14 69 A P - 0 0 54 0, 0.0 302,-0.1 0, 0.0 2,-0.1 -0.257 33.4 -88.9 -67.6 154.6 -13.1 -59.4 -2.2 15 70 A E - 0 0 174 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.380 44.7-110.9 -62.4 134.4 -14.1 -62.0 -4.8 16 71 A Y - 0 0 25 1,-0.1 4,-0.1 -3,-0.1 -1,-0.1 -0.552 25.4-154.4 -70.2 127.5 -11.0 -63.2 -6.8 17 72 A P + 0 0 73 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.541 60.7 73.8 -81.4 -11.2 -11.3 -61.8 -10.4 18 73 A G S S- 0 0 18 1,-0.0 2,-1.2 2,-0.0 3,-0.1 -0.489 89.6 -95.3-105.7 174.7 -9.3 -64.4 -12.4 19 74 A N > - 0 0 67 1,-0.2 4,-2.6 -2,-0.1 5,-0.2 -0.750 38.2-167.9 -84.6 97.9 -9.6 -67.9 -13.7 20 75 A L H > S+ 0 0 62 -2,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.869 82.0 48.1 -55.6 -44.3 -7.8 -69.7 -10.8 21 76 A E H > S+ 0 0 107 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.937 114.9 44.6 -64.0 -48.6 -7.5 -73.1 -12.6 22 77 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.897 111.4 54.1 -63.0 -41.3 -6.2 -71.6 -15.9 23 78 A E H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.833 106.5 52.6 -63.6 -31.5 -3.8 -69.3 -13.9 24 79 A R H X S+ 0 0 73 -4,-1.6 4,-2.7 -5,-0.2 -1,-0.2 0.882 105.8 53.7 -71.4 -37.3 -2.4 -72.3 -12.2 25 80 A R H X S+ 0 0 91 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.932 114.0 42.1 -59.7 -47.9 -1.7 -74.1 -15.5 26 81 A I H >X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-0.7 0.947 115.1 50.3 -62.9 -50.8 0.2 -71.0 -16.7 27 82 A R H 3X S+ 0 0 19 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.827 105.7 55.8 -58.8 -36.7 2.0 -70.6 -13.3 28 83 A S H 3X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.814 107.6 49.8 -67.8 -29.8 3.0 -74.3 -13.3 29 84 A A H <>S+ 0 0 5 -4,-1.8 3,-0.8 -5,-0.2 5,-0.5 0.925 110.5 51.6 -54.6 -45.5 23.0 -74.3 -16.3 42 97 A S H ><5S+ 0 0 15 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.860 100.2 63.0 -59.1 -39.4 23.9 -76.8 -13.6 43 98 A K H 3<5S+ 0 0 168 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.820 91.5 65.3 -56.0 -35.6 24.4 -79.5 -16.1 44 99 A K T <<5S- 0 0 72 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.737 94.3-144.9 -62.4 -21.6 27.3 -77.5 -17.7 45 100 A D T < 5 + 0 0 111 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.918 60.0 127.3 54.9 46.0 29.3 -78.0 -14.5 46 101 A L S S+ 0 0 5 302,-0.4 4,-2.0 299,-0.3 5,-0.1 0.511 72.4 62.5-137.8 -44.6 15.2 -72.4 -7.2 53 108 A A H > S+ 0 0 0 298,-0.6 285,-2.1 301,-0.4 4,-1.4 0.794 102.0 54.3 -61.0 -33.3 13.8 -72.6 -3.6 54 109 A S H >> S+ 0 0 3 2,-0.2 4,-1.4 298,-0.2 3,-0.7 0.979 110.2 41.8 -69.0 -58.5 13.3 -68.9 -3.4 55 110 A F H 3> S+ 0 0 14 32,-0.3 4,-2.2 1,-0.2 3,-0.3 0.887 109.6 62.8 -57.4 -35.5 11.2 -68.3 -6.5 56 111 A Q H 3< S+ 0 0 1 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.901 105.3 45.1 -55.4 -41.9 9.3 -71.5 -5.5 57 112 A S H << S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.7 279,-0.2 0.772 124.0 32.9 -74.9 -24.3 8.1 -69.8 -2.3 58 113 A S H >X S+ 0 0 2 -4,-1.4 4,-1.7 -3,-0.3 3,-0.7 0.467 84.6 101.8-112.4 -1.5 7.1 -66.5 -4.0 59 114 A A H 3X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 5,-0.1 0.871 82.4 50.9 -49.9 -48.5 5.9 -67.5 -7.5 60 115 A T H 3> S+ 0 0 4 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.837 106.2 56.3 -62.7 -32.2 2.1 -67.2 -6.7 61 116 A I H <> S+ 0 0 2 -3,-0.7 4,-1.5 247,-0.2 -1,-0.2 0.954 112.4 41.2 -63.5 -49.5 2.6 -63.7 -5.2 62 117 A Y H X S+ 0 0 7 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.857 112.1 57.5 -64.4 -38.3 4.2 -62.5 -8.4 63 118 A D H X S+ 0 0 5 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.920 104.5 49.1 -60.9 -46.4 1.6 -64.4 -10.5 64 119 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 5,-0.3 0.890 113.8 49.2 -60.9 -37.0 -1.3 -62.6 -8.9 65 120 A C H X>S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.2 5,-2.3 0.896 108.7 51.3 -69.0 -41.2 0.4 -59.3 -9.6 66 121 A F H <5S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 115.4 42.7 -66.1 -32.1 1.2 -60.1 -13.2 67 122 A N H <5S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.757 134.5 8.9 -86.9 -25.3 -2.4 -61.0 -13.9 68 123 A H H <5S+ 0 0 33 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.500 128.6 28.1-135.9 -3.7 -4.2 -58.2 -12.1 69 124 A F T <5S+ 0 0 6 -4,-2.3 2,-0.2 -5,-0.3 -3,-0.2 0.746 77.4 95.4-125.6 -56.1 -1.9 -55.5 -10.8 70 125 A F < - 0 0 0 -5,-2.3 2,-0.4 1,-0.1 -1,-0.1 -0.214 54.2-156.7 -50.8 108.5 1.4 -54.7 -12.5 71 126 A R - 0 0 32 -2,-0.2 9,-2.7 97,-0.1 333,-0.2 -0.740 14.5-140.1 -85.9 132.4 0.8 -51.8 -15.0 72 127 A A - 0 0 2 331,-2.8 7,-0.2 -2,-0.4 5,-0.2 -0.475 35.4 -73.9 -89.8 164.5 3.5 -51.8 -17.7 73 128 A R + 0 0 94 333,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.237 67.5 165.4 -52.9 145.0 5.2 -48.8 -19.1 74 129 A N - 0 0 35 3,-3.0 -1,-0.1 -3,-0.1 331,-0.0 -0.778 50.4 -70.7-148.5-167.5 2.8 -46.9 -21.4 75 130 A E S S+ 0 0 178 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.809 126.0 35.9 -64.3 -32.6 2.0 -43.7 -23.2 76 131 A Q S S- 0 0 114 1,-0.2 2,-0.3 86,-0.0 87,-0.2 0.837 126.5 -3.8 -93.0 -38.2 1.3 -41.7 -20.1 77 132 A D S S- 0 0 8 -5,-0.2 -3,-3.0 89,-0.1 -1,-0.2 -0.909 73.4 -94.9-148.3 175.1 3.7 -43.0 -17.5 78 133 A G - 0 0 4 -2,-0.3 -5,-0.3 1,-0.3 2,-0.1 0.361 64.7-129.0 -77.3 7.8 6.5 -45.5 -16.9 79 134 A G - 0 0 0 -7,-0.2 2,-0.3 -6,-0.1 -1,-0.3 -0.336 56.5 -19.4 76.7-162.3 3.9 -47.9 -15.4 80 135 A D - 0 0 5 -9,-2.7 2,-0.9 87,-0.2 89,-0.2 -0.627 64.2-132.7 -80.6 138.7 4.5 -49.5 -12.0 81 136 A L E -a 169 0A 0 87,-1.4 89,-2.5 -2,-0.3 2,-0.7 -0.809 26.2-165.9 -95.5 102.5 8.1 -49.6 -10.8 82 137 A V E -a 170 0A 5 -2,-0.9 2,-1.5 87,-0.2 52,-0.2 -0.806 16.4-160.4 -98.7 114.7 8.7 -53.2 -9.6 83 138 A Y E -a 171 0A 13 87,-3.8 89,-2.2 -2,-0.7 3,-0.1 -0.637 24.0-157.9 -91.1 78.6 11.8 -53.9 -7.6 84 139 A F - 0 0 7 -2,-1.5 52,-0.2 87,-0.1 2,-0.1 -0.234 28.3 -99.0 -56.7 138.5 11.9 -57.7 -8.2 85 140 A Q > - 0 0 14 1,-0.1 3,-1.4 88,-0.1 -1,-0.1 -0.448 38.6-128.3 -60.9 130.0 13.7 -59.8 -5.7 86 141 A G G > S+ 0 0 0 1,-0.2 3,-1.2 50,-0.2 51,-0.1 0.881 98.3 46.9 -49.1 -55.2 17.1 -60.4 -7.3 87 142 A H G 3 S+ 0 0 20 1,-0.3 -32,-0.3 2,-0.1 -36,-0.3 0.356 97.3 70.2 -77.8 7.4 17.5 -64.1 -7.1 88 143 A I G X> + 0 0 0 -3,-1.4 3,-1.1 1,-0.2 4,-1.0 0.170 66.1 112.5-103.4 16.4 14.0 -65.0 -8.3 89 144 A S H <> + 0 0 2 -3,-1.2 4,-3.0 1,-0.2 5,-0.3 0.811 61.8 66.9 -57.7 -35.7 15.1 -63.8 -11.8 90 145 A P H 3> S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.872 102.4 49.2 -55.6 -33.5 14.9 -67.3 -13.3 91 146 A G H <> S+ 0 0 2 -3,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.837 109.0 50.9 -72.7 -34.7 11.1 -67.1 -12.8 92 147 A V H X S+ 0 0 6 -4,-1.0 4,-2.3 2,-0.2 5,-0.2 0.928 113.9 45.3 -66.5 -44.5 10.9 -63.7 -14.4 93 148 A Y H X S+ 0 0 1 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.913 108.7 56.5 -63.4 -43.8 12.9 -65.1 -17.3 94 149 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.890 111.7 43.8 -54.9 -41.3 10.6 -68.2 -17.4 95 150 A R H X S+ 0 0 6 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.877 110.0 52.6 -72.8 -41.5 7.6 -65.9 -17.7 96 151 A A H <>S+ 0 0 1 -4,-2.3 5,-3.9 1,-0.2 6,-0.8 0.820 110.9 50.7 -63.9 -30.4 9.2 -63.5 -20.4 97 152 A F H ><5S+ 0 0 24 -4,-2.1 3,-1.0 4,-0.3 -1,-0.2 0.869 107.9 49.8 -73.8 -39.8 9.9 -66.6 -22.4 98 153 A L H 3<5S+ 0 0 7 -4,-1.4 288,-0.3 1,-0.3 -2,-0.2 0.841 110.8 52.4 -67.2 -30.6 6.4 -67.9 -22.1 99 154 A E T 3<5S- 0 0 10 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.494 120.3-113.8 -81.6 -5.6 5.3 -64.4 -23.2 100 155 A G T < 5S+ 0 0 64 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.671 87.3 114.7 81.9 18.0 7.6 -64.7 -26.2 101 156 A R S - 0 0 49 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.591 22.3-118.6 -97.8 162.9 14.2 -67.2 -26.8 104 159 A Q H > S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.827 117.5 58.4 -64.7 -33.1 15.1 -70.8 -25.7 105 160 A E H 4 S+ 0 0 86 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.888 105.6 49.3 -63.6 -39.3 18.6 -70.0 -26.8 106 161 A Q H >4 S+ 0 0 37 1,-0.2 3,-1.1 2,-0.2 13,-0.3 0.895 108.6 51.1 -67.8 -40.8 18.7 -67.2 -24.4 107 162 A L H >< S+ 0 0 1 -4,-1.8 3,-1.2 1,-0.3 -1,-0.2 0.831 107.6 54.4 -64.7 -31.4 17.4 -69.3 -21.5 108 163 A D T 3< S+ 0 0 51 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.580 106.1 54.0 -76.9 -9.7 20.1 -71.8 -22.4 109 164 A N T X S+ 0 0 50 -3,-1.1 3,-1.9 -4,-0.3 10,-1.6 0.088 75.7 146.7-109.9 19.7 22.6 -68.9 -22.0 110 165 A F B < S+e 119 0B 3 -3,-1.2 10,-0.1 1,-0.3 11,-0.1 -0.403 77.8 6.6 -58.3 125.6 21.4 -68.1 -18.5 111 166 A R T 3 S+ 0 0 1 8,-2.6 -1,-0.3 -2,-0.1 2,-0.2 0.750 111.2 93.8 67.1 29.2 24.5 -66.8 -16.6 112 167 A Q < + 0 0 30 -3,-1.9 1497,-0.3 7,-0.4 -1,-0.1 -0.742 38.0 142.1-147.4 89.6 26.7 -66.8 -19.7 113 168 A E > + 0 0 24 1495,-3.0 3,-2.4 -2,-0.2 5,-0.3 0.581 37.2 97.5-111.4 -10.6 26.6 -63.4 -21.2 114 169 A V T 3 S+ 0 0 37 1494,-0.5 -1,-0.1 1,-0.3 1495,-0.1 0.788 92.2 43.6 -51.4 -31.9 30.2 -62.6 -22.5 115 170 A H T 3 S- 0 0 146 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.310 116.5-108.1 -99.5 10.0 29.3 -63.7 -26.0 116 171 A G S < S+ 0 0 43 -3,-2.4 -1,-0.2 -7,-0.1 3,-0.1 0.098 94.0 68.5 82.2 158.5 25.9 -62.0 -26.3 117 172 A N S S+ 0 0 83 1,-0.2 2,-0.2 -3,-0.1 -8,-0.2 0.784 80.9 111.6 64.5 29.0 22.4 -63.6 -26.3 118 173 A G - 0 0 11 -5,-0.3 2,-0.4 -10,-0.1 -1,-0.2 -0.650 62.8-117.4-120.8 179.8 22.8 -64.6 -22.7 119 174 A L B -e 110 0B 1 -10,-1.6 -8,-2.6 -13,-0.3 -7,-0.4 -0.963 22.2-113.7-128.0 143.8 21.1 -63.5 -19.4 120 175 A S - 0 0 0 -2,-0.4 1294,-0.1 -10,-0.1 1293,-0.1 -0.304 22.5-124.0 -67.9 151.9 22.3 -61.9 -16.2 121 176 A S S S+ 0 0 0 1291,-0.2 -32,-0.2 -11,-0.1 -1,-0.1 0.944 93.6 3.2 -58.1 -47.1 22.3 -63.8 -13.0 122 177 A Y S S- 0 0 6 1291,-0.2 2,-0.8 -33,-0.1 1293,-0.1 -0.737 106.7 -54.6-133.0 176.8 20.2 -60.9 -11.5 123 178 A P + 0 0 1 0, 0.0 14,-0.3 0, 0.0 13,-0.2 -0.409 62.4 158.9 -60.2 99.6 18.6 -57.6 -12.5 124 179 A H >> - 0 0 0 -2,-0.8 4,-2.1 1,-0.1 3,-0.9 -0.829 23.7-172.8-130.0 92.3 21.4 -55.6 -14.0 125 180 A P T 34 S+ 0 0 0 0, 0.0 437,-0.2 0, 0.0 6,-0.1 0.821 88.2 59.3 -52.8 -35.3 20.4 -52.7 -16.4 126 181 A K T 34 S+ 0 0 37 435,-0.6 436,-0.1 1,-0.2 435,-0.1 0.911 113.6 38.5 -61.9 -38.3 24.0 -52.1 -17.4 127 182 A L T <4 S+ 0 0 25 -3,-0.9 -1,-0.2 1,-0.2 434,-0.0 0.782 131.9 25.1 -82.9 -30.3 24.0 -55.7 -18.7 128 183 A M S >X S+ 0 0 23 -4,-2.1 3,-1.9 1,-0.1 4,-1.5 -0.622 71.8 176.9-136.6 74.1 20.5 -55.9 -20.1 129 184 A P T 34 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.502 79.0 43.4 -56.2 -13.4 19.6 -52.3 -21.0 130 185 A E T 34 S+ 0 0 145 281,-0.1 280,-1.6 279,-0.1 3,-0.1 0.331 120.9 36.5-116.8 4.4 16.2 -53.0 -22.5 131 186 A F T <4 S+ 0 0 16 -3,-1.9 2,-0.1 278,-0.3 280,-0.1 0.739 104.1 51.9-118.6 -64.5 15.0 -55.6 -19.9 132 187 A W < + 0 0 2 -4,-1.5 -1,-0.2 -8,-0.2 -4,-0.0 -0.436 45.5 175.5 -81.8 154.7 16.0 -54.9 -16.3 133 188 A Q + 0 0 21 1,-0.2 -1,-0.1 -51,-0.2 399,-0.1 0.675 62.7 38.7-126.2 -35.6 15.4 -51.6 -14.5 134 189 A F - 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0 0 2 -5,-3.0 2,-0.8 -6,-0.2 -1,-0.2 -0.422 56.8-112.9 -82.2 160.4 2.7 -48.2 7.9 233 288 A N E -d 329 0A 23 95,-3.1 97,-2.8 -2,-0.1 2,-0.5 -0.849 39.2-156.3 -92.1 113.6 -0.5 -50.1 7.0 234 289 A V E -d 330 0A 10 -2,-0.8 2,-0.5 95,-0.2 97,-0.2 -0.823 15.1-175.3 -99.8 130.5 0.4 -53.7 7.8 235 290 A I E -d 331 0A 0 95,-2.5 97,-2.7 -2,-0.5 2,-0.6 -0.961 9.9-157.9-126.1 112.5 -1.3 -56.7 6.1 236 291 A K E -d 332 0A 1 -2,-0.5 -229,-2.1 95,-0.2 2,-0.8 -0.803 4.8-167.6 -92.3 122.1 -0.5 -60.1 7.4 237 292 A V E +d 333 0A 4 95,-3.3 97,-3.0 -2,-0.6 71,-0.4 -0.784 31.0 147.5-110.1 84.8 -1.2 -62.9 4.9 238 293 A M + 0 0 0 -2,-0.8 69,-2.4 69,-0.2 70,-0.3 0.947 50.9 26.5 -83.8 -59.3 -0.8 -65.9 7.2 239 294 A W B -G 306 0D 9 67,-0.4 67,-0.3 68,-0.2 -1,-0.2 -0.879 66.7-126.0-121.1 147.9 -3.1 -68.7 6.2 240 295 A G > - 0 0 2 65,-2.9 3,-1.5 -2,-0.3 4,-0.4 -0.082 44.1 -87.2 -75.9-179.5 -4.8 -70.0 3.1 241 296 A S T >> S+ 0 0 33 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.766 118.7 71.8 -60.5 -31.4 -8.5 -70.7 2.6 242 297 A R H 3> S+ 0 0 147 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.715 96.9 53.0 -59.2 -22.0 -8.3 -74.3 4.0 243 298 A W H <> S+ 0 0 16 -3,-1.5 4,-1.7 62,-0.2 -1,-0.3 0.692 87.2 82.9 -86.0 -23.3 -7.8 -72.8 7.5 244 299 A D H <> S+ 0 0 34 -3,-1.1 4,-1.1 -4,-0.4 -1,-0.2 0.815 94.5 42.2 -52.9 -39.5 -10.9 -70.6 7.3 245 300 A E H X S+ 0 0 102 -4,-0.5 4,-1.8 -3,-0.2 -1,-0.2 0.910 113.5 52.7 -75.3 -40.8 -13.3 -73.4 8.4 246 301 A L H < S+ 0 0 0 -4,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.731 111.4 48.2 -65.1 -23.3 -10.9 -74.7 11.0 247 302 A L H >< S+ 0 0 39 -4,-1.7 3,-0.8 1,-0.1 -1,-0.2 0.763 108.0 53.4 -87.8 -28.8 -10.7 -71.2 12.5 248 303 A R H 3< S+ 0 0 188 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.817 105.9 54.0 -74.6 -32.2 -14.5 -70.6 12.5 249 304 A K T 3< S+ 0 0 73 -4,-1.8 2,-0.4 1,-0.1 -1,-0.2 -0.088 84.5 96.4 -94.5 34.4 -15.1 -73.8 14.5 250 305 A D X + 0 0 17 -3,-0.8 3,-0.9 1,-0.1 6,-0.1 -0.738 36.2 159.2-124.6 81.0 -12.7 -72.8 17.2 251 306 A T T 3 S+ 0 0 150 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.615 71.0 64.8 -77.5 -13.1 -14.8 -71.3 20.0 252 307 A S T 3 S- 0 0 71 -3,-0.1 -1,-0.2 36,-0.1 37,-0.1 0.559 95.8-137.8 -86.1 -8.3 -12.1 -71.9 22.6 253 308 A G <> + 0 0 34 -3,-0.9 4,-1.4 -6,-0.1 5,-0.1 0.646 69.0 124.7 60.5 12.0 -9.7 -69.5 20.9 254 309 A K H > + 0 0 25 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.839 62.9 58.2 -70.9 -35.8 -7.2 -72.2 21.6 255 310 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.950 106.7 48.6 -59.1 -48.7 -6.1 -72.5 18.0 256 311 A I H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -252,-0.4 0.880 110.3 50.5 -58.3 -41.9 -5.2 -68.9 17.9 257 312 A Q H X S+ 0 0 82 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.883 110.0 52.0 -65.0 -37.9 -3.2 -69.1 21.1 258 313 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.983 110.8 45.6 -60.0 -58.5 -1.4 -72.1 19.7 259 314 A M H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 114.5 50.8 -53.7 -36.6 -0.4 -70.2 16.5 260 315 A N H < S+ 0 0 48 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.919 112.4 44.1 -69.0 -45.9 0.6 -67.2 18.6 261 316 A E H < S+ 0 0 73 -4,-2.7 2,-0.3 -5,-0.1 -2,-0.2 0.675 92.5 94.5 -75.9 -18.6 2.8 -69.2 21.0 262 317 A T < - 0 0 1 -4,-1.9 2,-0.1 -5,-0.2 1060,-0.1 -0.606 69.2-141.8 -78.3 131.4 4.5 -71.3 18.2 263 318 A V >> - 0 0 24 -2,-0.3 4,-1.6 1058,-0.2 3,-0.8 -0.468 23.9-101.1 -92.2 164.5 7.8 -69.8 17.1 264 319 A D H 3> S+ 0 0 0 -47,-3.9 4,-2.1 -50,-0.4 5,-0.3 0.855 115.2 60.9 -47.1 -49.1 9.4 -69.6 13.6 265 320 A G H 3> S+ 0 0 4 -50,-2.9 4,-0.8 -48,-0.2 -1,-0.2 0.844 108.6 41.4 -51.3 -43.0 11.8 -72.5 14.1 266 321 A D H <> S+ 0 0 29 -3,-0.8 4,-1.6 -51,-0.4 -1,-0.2 0.803 110.0 60.3 -77.4 -30.6 9.0 -75.0 14.7 267 322 A Y H X S+ 0 0 4 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.933 107.2 41.4 -65.1 -49.2 6.8 -73.7 11.9 268 323 A Q H < S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.776 111.3 57.8 -72.8 -22.0 9.2 -74.2 9.0 269 324 A T H >< S+ 0 0 3 -4,-0.8 3,-1.4 -5,-0.3 4,-0.3 0.862 100.4 60.0 -70.7 -35.2 10.1 -77.6 10.5 270 325 A F H >< S+ 0 0 12 -4,-1.6 3,-1.6 1,-0.3 8,-0.2 0.941 105.5 45.2 -55.8 -52.5 6.5 -78.5 10.3 271 326 A K T 3< S+ 0 0 24 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.387 105.9 62.5 -75.9 4.8 6.3 -78.0 6.5 272 327 A S T < S+ 0 0 24 -3,-1.4 -1,-0.3 75,-0.2 -2,-0.2 0.415 109.8 41.4-105.0 -2.5 9.6 -80.0 6.1 273 328 A K S < S- 0 0 76 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.1 0.399 95.6 -89.8-109.3-118.2 7.9 -83.1 7.6 274 329 A D >> - 0 0 84 -4,-0.1 4,-1.8 1,-0.1 3,-0.5 -0.945 39.7 -81.2-157.0 175.5 4.4 -84.5 6.9 275 330 A G H 3> S+ 0 0 6 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.880 124.0 56.6 -51.1 -44.3 0.8 -84.5 8.0 276 331 A A H 3> S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.891 106.1 51.7 -55.2 -43.2 1.5 -86.9 10.8 277 332 A Y H <> S+ 0 0 39 -3,-0.5 4,-2.9 1,-0.2 5,-0.5 0.956 109.1 47.2 -60.1 -55.1 4.2 -84.6 12.2 278 333 A V H X>S+ 0 0 13 -4,-1.8 4,-2.1 -8,-0.2 5,-1.6 0.861 108.0 59.5 -56.0 -37.6 1.9 -81.5 12.3 279 334 A R H <>S+ 0 0 53 -4,-2.1 5,-0.8 -5,-0.2 -1,-0.2 0.897 117.0 28.5 -60.3 -43.4 -0.8 -83.5 13.9 280 335 A E H <5S+ 0 0 125 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.903 128.8 38.3 -86.1 -44.4 1.3 -84.5 17.0 281 336 A H H <5S+ 0 0 90 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.764 130.7 22.1 -81.3 -26.4 3.6 -81.6 17.2 282 337 A F T ><5S+ 0 0 5 -4,-2.1 3,-1.6 -5,-0.5 4,-0.3 0.817 133.9 25.5-103.5 -75.2 1.2 -78.8 16.3 283 338 A F G > S- 0 0 45 -3,-1.1 4,-3.0 -4,-0.3 5,-0.2 -0.989 72.0-136.8-132.4 138.5 -3.6 -79.0 23.1 287 342 A P T 4 S+ 0 0 103 0, 0.0 4,-0.4 0, 0.0 -3,-0.1 0.573 110.5 50.5 -66.1 -5.8 -6.5 -81.5 23.6 288 343 A E T > S+ 0 0 85 2,-0.2 4,-1.3 3,-0.1 -33,-0.1 0.821 113.4 38.6 -98.4 -43.2 -8.7 -78.7 22.2 289 344 A T H > S+ 0 0 0 1,-0.2 4,-0.6 2,-0.2 -5,-0.2 0.860 114.2 59.3 -73.8 -34.7 -6.7 -77.9 19.0 290 345 A A H >< S+ 0 0 31 -4,-3.0 3,-0.8 -7,-0.4 4,-0.5 0.887 101.7 53.6 -58.7 -42.9 -6.0 -81.6 18.7 291 346 A A H >> S+ 0 0 49 -4,-0.4 3,-3.2 -5,-0.2 4,-0.6 0.953 92.3 71.0 -58.1 -55.0 -9.7 -82.4 18.5 292 347 A L H 3< S+ 0 0 15 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.715 113.6 27.9 -33.3 -37.3 -10.5 -80.0 15.6 293 348 A V T X< S+ 0 0 0 -3,-0.8 3,-1.8 -4,-0.6 -1,-0.3 0.370 87.4 102.8-111.5 2.1 -8.7 -82.2 13.2 294 349 A A T <4 S+ 0 0 73 -3,-3.2 -2,-0.2 -4,-0.5 -1,-0.1 0.762 90.7 47.5 -55.2 -21.2 -9.2 -85.6 15.0 295 350 A D T 3< S+ 0 0 116 -4,-0.6 -1,-0.3 -3,-0.2 2,-0.2 0.581 100.3 86.7 -93.7 -16.3 -11.8 -86.0 12.2 296 351 A W S < S- 0 0 38 -3,-1.8 2,-0.2 1,-0.1 -3,-0.1 -0.530 82.3-113.3 -87.0 154.1 -9.4 -84.9 9.5 297 352 A T >> - 0 0 43 -2,-0.2 3,-1.6 1,-0.1 4,-0.8 -0.565 25.9-116.0 -83.7 149.7 -7.0 -87.2 7.7 298 353 A D H 3> S+ 0 0 61 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.828 122.2 54.1 -53.2 -29.8 -3.3 -86.7 8.2 299 354 A E H 3> S+ 0 0 135 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.745 103.3 53.7 -75.9 -25.3 -3.3 -85.9 4.5 300 355 A Q H <4 S+ 0 0 87 -3,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.532 107.8 52.7 -85.2 -6.8 -6.0 -83.2 5.0 301 356 A I H >< S+ 0 0 3 -4,-0.8 3,-1.0 -3,-0.5 -2,-0.2 0.823 107.1 49.2 -90.7 -42.9 -3.7 -81.7 7.7 302 357 A W H 3< S+ 0 0 78 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.761 101.5 67.2 -67.2 -26.4 -0.7 -81.5 5.4 303 358 A A T 3< S+ 0 0 36 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.1 0.685 71.7 108.5 -69.5 -21.3 -3.0 -79.8 2.8 304 359 A L < - 0 0 4 -3,-1.0 2,-0.3 -4,-0.1 -3,-0.0 -0.412 59.6-158.4 -58.9 126.2 -3.4 -76.7 4.9 305 360 A N - 0 0 27 -2,-0.1 -65,-2.9 1,-0.0 -62,-0.2 -0.724 15.9-107.9-113.0 162.3 -1.5 -74.0 3.2 306 361 A R B > -G 239 0D 5 -67,-0.3 3,-2.1 -2,-0.3 -67,-0.4 -0.535 34.8-112.1 -82.8 151.3 0.1 -70.7 4.2 307 362 A G G > S+ 0 0 0 -69,-2.4 3,-1.6 1,-0.3 7,-0.2 0.779 112.1 66.3 -54.0 -34.9 -1.5 -67.4 3.0 308 363 A G G 3 S+ 0 0 0 26,-2.9 -1,-0.3 -71,-0.4 -247,-0.2 0.497 101.7 51.2 -68.0 -2.5 1.4 -66.5 0.7 309 364 A H G < S+ 0 0 11 -3,-2.1 -1,-0.3 25,-0.3 -2,-0.2 0.427 91.5 86.5-111.5 -1.6 0.5 -69.5 -1.4 310 365 A D X> - 0 0 22 -3,-1.6 4,-2.4 -4,-0.3 3,-0.7 -0.876 62.3-157.3-105.3 108.7 -3.3 -68.7 -1.8 311 366 A P H 3> S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.788 94.4 56.5 -51.4 -32.6 -4.1 -66.4 -4.7 312 367 A K H 3> S+ 0 0 73 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.894 111.2 41.0 -68.6 -41.6 -7.3 -65.4 -3.0 313 368 A K H <> S+ 0 0 8 -3,-0.7 4,-1.3 -6,-0.2 -1,-0.2 0.816 115.7 51.4 -74.9 -33.4 -5.5 -64.3 0.1 314 369 A I H X S+ 0 0 4 -4,-2.4 4,-2.0 -7,-0.2 3,-0.3 0.952 108.5 51.4 -67.6 -48.8 -2.8 -62.6 -1.9 315 370 A Y H X S+ 0 0 20 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.868 104.6 55.9 -56.1 -42.2 -5.2 -60.7 -4.1 316 371 A A H X S+ 0 0 4 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.912 108.2 49.0 -59.6 -42.2 -7.1 -59.3 -1.1 317 372 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.3 -2,-0.2 0.938 114.1 43.9 -63.3 -48.3 -3.9 -57.8 0.3 318 373 A F H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.841 113.1 51.7 -67.5 -33.4 -2.8 -56.2 -3.0 319 374 A K H X S+ 0 0 54 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.917 112.4 46.6 -68.1 -41.5 -6.3 -54.9 -3.6 320 375 A K H X S+ 0 0 64 -4,-2.2 4,-2.3 -5,-0.2 3,-0.3 0.895 110.7 51.5 -64.8 -44.9 -6.4 -53.3 -0.1 321 376 A A H < S+ 0 0 7 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.950 107.5 54.7 -57.0 -48.4 -2.9 -51.8 -0.6 322 377 A Q H < S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.804 112.1 42.7 -54.9 -35.1 -4.1 -50.4 -3.9 323 378 A E H < S+ 0 0 123 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.820 90.0 103.4 -83.8 -32.9 -7.1 -48.6 -2.1 324 379 A T < - 0 0 20 -4,-2.3 2,-0.3 -5,-0.1 5,-0.1 -0.225 49.6-173.8 -57.5 134.5 -5.2 -47.3 0.9 325 380 A K + 0 0 130 1,-0.1 -130,-0.1 3,-0.1 -131,-0.1 -0.855 55.0 37.7-126.6 161.4 -4.3 -43.6 1.0 326 381 A G S S+ 0 0 34 -132,-0.3 2,-0.3 -2,-0.3 -131,-0.2 0.258 112.9 32.5 85.3 -12.4 -2.3 -41.4 3.3 327 382 A K S S- 0 0 79 -133,-0.2 -136,-0.1 -134,-0.1 2,-0.1 -0.985 84.5 -88.7-165.2 167.5 0.4 -43.9 4.1 328 383 A A - 0 0 0 -2,-0.3 -95,-3.1 -138,-0.1 2,-0.4 -0.427 34.6-136.5 -84.7 160.8 2.5 -46.8 2.7 329 384 A T E -cd 199 233A 3 -131,-1.6 -129,-2.7 -134,-0.3 2,-0.5 -0.934 10.6-164.4-121.9 140.5 1.5 -50.5 2.9 330 385 A V E -cd 200 234A 0 -97,-2.8 -95,-2.5 -2,-0.4 2,-0.5 -0.994 7.2-158.0-126.4 125.1 3.6 -53.5 3.8 331 386 A I E -cd 201 235A 2 -131,-3.4 -129,-2.9 -2,-0.5 2,-0.8 -0.914 1.6-159.9-104.4 121.9 2.3 -57.0 3.0 332 387 A L E -cd 202 236A 0 -97,-2.7 -95,-3.3 -2,-0.5 2,-0.6 -0.912 13.9-162.9-104.8 105.5 3.9 -59.8 5.1 333 388 A A E -cd 203 237A 4 -131,-2.2 -129,-2.0 -2,-0.8 2,-0.5 -0.822 10.5-142.9 -97.3 113.5 3.2 -63.0 3.0 334 389 A H E +c 204 0A 0 -97,-3.0 -26,-2.9 -2,-0.6 -25,-0.3 -0.613 38.4 152.4 -75.6 119.0 3.6 -66.3 4.8 335 390 A T - 0 0 0 -131,-1.7 2,-0.5 -2,-0.5 -278,-0.1 -0.807 44.4-106.5-138.7 179.4 5.2 -68.9 2.5 336 391 A I > - 0 0 2 -2,-0.2 3,-1.4 -279,-0.2 2,-0.3 -0.955 29.6-130.0-116.2 120.8 7.3 -72.1 2.4 337 392 A K T 3 S+ 0 0 6 -132,-0.6 10,-3.4 -2,-0.5 11,-0.3 -0.522 98.1 15.0 -69.8 127.1 10.9 -71.9 1.3 338 393 A G T > S- 0 0 0 -285,-2.1 3,-1.9 -2,-0.3 7,-0.3 0.795 92.7-167.7 78.7 28.7 11.5 -74.6 -1.4 339 394 A Y T < + 0 0 23 -3,-1.4 -1,-0.2 -286,-0.5 -281,-0.1 -0.261 65.7 1.6 -55.0 126.0 7.7 -75.1 -1.8 340 395 A G T 3 S+ 0 0 0 -3,-0.1 -1,-0.3 1,-0.1 28,-0.1 0.430 98.9 106.5 77.1 -0.9 6.8 -78.2 -3.8 341 396 A M X + 0 0 1 -3,-1.9 3,-1.7 1,-0.2 4,-0.2 0.406 56.2 179.6 -88.9 3.4 10.4 -79.3 -4.2 342 397 A G G >> + 0 0 14 1,-0.3 4,-2.0 -4,-0.2 3,-1.2 0.043 65.6 17.8 35.6-131.7 9.7 -82.0 -1.7 343 398 A D G 34 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.762 124.1 61.7 -27.1 -50.7 12.8 -84.2 -1.1 344 399 A A G <4 S- 0 0 18 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.868 131.7 -37.2 -53.6 -53.0 15.0 -81.5 -2.6 345 400 A A T X4 S+ 0 0 0 -3,-1.2 3,-2.3 -7,-0.3 6,-0.3 0.417 72.4 153.5-161.8 5.3 14.5 -78.5 -0.3 346 401 A E T 3< S- 0 0 32 -4,-2.0 -8,-0.2 1,-0.3 -7,-0.1 -0.244 91.0 -21.6 -53.0 109.2 11.0 -78.1 1.0 347 402 A G T 3 S+ 0 0 2 -10,-3.4 -1,-0.3 -2,-0.2 2,-0.3 0.630 106.6 140.3 64.9 15.0 11.3 -76.2 4.3 348 403 A K X - 0 0 64 -3,-2.3 3,-1.9 -11,-0.3 4,-0.3 -0.649 62.7-127.9 -94.9 146.7 14.9 -77.4 4.6 349 404 A N T 3 S+ 0 0 9 1,-0.3 3,-0.4 -2,-0.3 4,-0.2 0.778 112.6 52.6 -59.6 -27.7 17.9 -75.3 5.9 350 405 A I T > S+ 0 0 73 1,-0.2 3,-0.9 2,-0.1 4,-0.5 0.488 79.9 103.5 -87.5 -2.1 19.8 -76.2 2.7 351 406 A A G X S+ 0 0 0 -3,-1.9 3,-1.4 -6,-0.3 -298,-0.6 0.837 72.5 57.2 -47.3 -46.2 16.9 -75.0 0.5 352 407 A H G 3 S+ 0 0 19 -3,-0.4 -300,-0.3 -143,-0.3 -1,-0.2 0.876 107.0 48.8 -56.6 -40.2 18.6 -71.7 -0.5 353 408 A Q G < S+ 0 0 48 -3,-0.9 2,-0.4 -144,-0.3 -1,-0.3 0.433 81.3 118.9 -81.5 -2.6 21.6 -73.4 -1.9 354 409 A V < + 0 0 19 -3,-1.4 -302,-0.4 -4,-0.5 -301,-0.4 -0.525 16.2 142.9 -72.8 125.6 19.8 -76.0 -4.0 355 410 A K + 0 0 58 -2,-0.4 2,-0.3 1,-0.2 -313,-0.2 0.277 61.4 48.4-140.9 4.2 20.5 -75.7 -7.8 356 411 A K + 0 0 108 -12,-0.1 2,-0.3 -314,-0.1 -1,-0.2 -0.959 55.0 174.5-143.2 158.6 20.6 -79.4 -8.9 357 412 A M - 0 0 33 -2,-0.3 5,-0.1 -318,-0.1 -13,-0.0 -0.874 31.0-107.8-169.6 136.3 18.4 -82.5 -8.4 358 413 A N >> - 0 0 101 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 0.022 45.5 -96.7 -56.9 168.9 18.2 -86.1 -9.6 359 414 A M H 3> S+ 0 0 82 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.657 126.6 63.7 -64.2 -15.3 15.5 -87.2 -12.1 360 415 A D H 3> S+ 0 0 124 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.903 105.4 44.2 -72.7 -42.7 13.6 -88.3 -9.1 361 416 A G H <> S+ 0 0 1 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.874 112.6 50.9 -69.0 -38.4 13.4 -84.7 -7.9 362 417 A V H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.931 109.3 51.6 -65.2 -43.2 12.5 -83.5 -11.4 363 418 A R H X S+ 0 0 99 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.863 106.1 56.9 -60.1 -38.1 9.7 -86.1 -11.7 364 419 A H H X S+ 0 0 59 -4,-1.6 4,-3.6 1,-0.2 -1,-0.2 0.952 107.1 44.6 -60.1 -53.6 8.4 -84.9 -8.3 365 420 A I H X S+ 0 0 2 -4,-1.7 4,-1.9 1,-0.2 6,-0.3 0.801 111.1 57.5 -62.9 -26.7 7.9 -81.2 -9.3 366 421 A R H <>S+ 0 0 18 -4,-1.5 5,-2.5 -5,-0.2 -1,-0.2 0.930 115.5 34.2 -67.7 -45.9 6.4 -82.5 -12.6 367 422 A D H ><5S+ 0 0 72 -4,-2.1 3,-1.5 3,-0.2 -2,-0.2 0.937 114.8 58.9 -72.8 -49.1 3.7 -84.5 -10.7 368 423 A R H 3<5S+ 0 0 76 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.870 119.9 26.7 -47.9 -48.3 3.4 -82.0 -7.9 369 424 A F T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.228 107.8-119.5-104.0 13.8 2.4 -79.1 -10.1 370 425 A N T < 5 - 0 0 113 -3,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.891 40.9-169.6 51.7 46.1 0.9 -81.2 -12.9 371 426 A V < - 0 0 9 -5,-2.5 2,-2.0 -6,-0.3 -1,-0.2 -0.435 26.1-122.8 -68.4 136.5 3.4 -80.0 -15.4 372 427 A P S S+ 0 0 93 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.447 70.2 118.2 -82.3 70.6 2.5 -81.0 -19.0 373 428 A V - 0 0 13 -2,-2.0 -2,-0.1 -7,-0.1 2,-0.0 -0.993 57.2-134.2-135.6 124.0 5.7 -82.9 -19.9 374 429 A S >> - 0 0 62 -2,-0.4 4,-2.5 1,-0.1 3,-1.3 -0.288 26.5-106.5 -76.0 163.4 5.6 -86.6 -20.7 375 430 A D T 34 S+ 0 0 88 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.701 120.9 60.5 -61.3 -19.4 8.0 -89.2 -19.3 376 431 A A T 34 S+ 0 0 67 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.743 113.8 32.4 -80.0 -24.8 9.5 -89.2 -22.8 377 432 A D T X4 S+ 0 0 66 -3,-1.3 3,-3.0 1,-0.1 -2,-0.2 0.787 97.2 82.7 -99.0 -37.9 10.5 -85.6 -22.6 378 433 A I G >< S+ 0 0 8 -4,-2.5 3,-1.8 1,-0.3 -3,-0.1 0.759 85.3 58.1 -39.7 -42.7 11.3 -85.0 -18.9 379 434 A E G 3 S+ 0 0 100 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.501 99.3 62.8 -73.1 1.1 14.9 -86.4 -19.1 380 435 A K G < S- 0 0 127 -3,-3.0 -1,-0.3 2,-0.0 -2,-0.2 0.319 105.0-128.6-103.8 6.2 15.6 -83.7 -21.6 381 436 A L < - 0 0 21 -3,-1.8 -3,-0.1 -4,-0.1 -2,-0.1 0.906 41.2-165.3 44.6 53.1 14.9 -80.9 -19.2 382 437 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.311 19.0-128.3 -72.3 146.9 12.5 -79.4 -21.8 383 438 A Y - 0 0 18 -347,-0.1 2,-0.4 -2,-0.1 -279,-0.0 -0.654 26.8-133.3 -86.5 149.5 11.2 -75.8 -21.7 384 439 A I - 0 0 20 -355,-0.3 2,-0.3 -2,-0.3 -351,-0.1 -0.843 23.5-175.0-108.2 144.4 7.4 -75.7 -22.0 385 440 A T - 0 0 96 -2,-0.4 -287,-0.1 -286,-0.0 8,-0.1 -0.930 21.2-135.3-134.4 158.7 5.5 -73.3 -24.3 386 441 A F - 0 0 19 -2,-0.3 3,-0.1 -288,-0.3 2,-0.1 -0.970 26.4-137.1-118.9 115.7 1.9 -72.4 -25.0 387 442 A P > - 0 0 86 0, 0.0 3,-2.3 0, 0.0 6,-0.4 -0.353 31.4 -88.2 -72.9 148.9 0.9 -72.1 -28.7 388 443 A E T 3 S+ 0 0 169 1,-0.3 3,-0.1 5,-0.1 4,-0.0 -0.238 116.3 34.9 -52.4 138.5 -1.2 -69.3 -30.2 389 444 A G T 3 S+ 0 0 60 1,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.021 89.2 115.6 102.2 -28.9 -4.8 -70.4 -29.9 390 445 A S S <> S- 0 0 25 -3,-2.3 4,-2.5 1,-0.1 -1,-0.4 -0.410 74.2-124.3 -72.2 153.1 -4.5 -72.2 -26.6 391 446 A E H > S+ 0 0 92 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.872 111.8 56.1 -65.7 -36.5 -6.4 -70.8 -23.7 392 447 A E H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.958 111.7 41.4 -58.8 -52.4 -3.1 -70.6 -21.7 393 448 A H H > S+ 0 0 41 -6,-0.4 4,-1.6 2,-0.2 5,-0.2 0.897 117.3 49.5 -61.6 -42.1 -1.5 -68.4 -24.4 394 449 A T H X S+ 0 0 68 -4,-2.5 4,-2.1 -7,-0.2 -2,-0.2 0.945 114.8 42.9 -63.1 -48.7 -4.7 -66.5 -24.9 395 450 A Y H X S+ 0 0 20 -4,-3.6 4,-2.1 1,-0.2 5,-0.2 0.871 110.1 55.7 -66.3 -40.7 -5.2 -65.8 -21.1 396 451 A L H X S+ 0 0 1 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.895 115.2 37.9 -60.6 -42.3 -1.5 -64.9 -20.4 397 452 A H H X S+ 0 0 34 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.844 112.7 55.5 -80.3 -35.7 -1.4 -62.2 -23.1 398 453 A A H X S+ 0 0 38 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.934 107.2 50.4 -62.6 -47.1 -5.0 -60.8 -22.5 399 454 A Q H X S+ 0 0 21 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.881 114.1 45.2 -59.0 -38.1 -4.2 -60.2 -18.8 400 455 A R H <>S+ 0 0 0 -4,-1.0 5,-3.1 -5,-0.2 3,-0.4 0.827 109.8 54.8 -75.1 -32.9 -1.0 -58.4 -19.7 401 456 A Q H ><5S+ 0 0 106 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.839 102.6 55.9 -69.8 -33.3 -2.7 -56.4 -22.5 402 457 A K H 3<5S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.735 109.4 49.5 -69.2 -21.2 -5.3 -55.1 -20.1 403 458 A L T 3<5S- 0 0 27 -4,-0.5 -331,-2.8 -3,-0.4 -1,-0.3 0.045 129.1 -93.0-106.8 22.6 -2.4 -53.8 -18.0 404 459 A H T < 5S- 0 0 92 -3,-1.3 2,-0.4 -333,-0.2 -3,-0.2 0.535 72.7 -65.9 81.9 10.9 -0.6 -52.1 -20.8 405 460 A G S - 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0 0 0 -5,-2.7 2,-0.8 -6,-0.1 -1,-0.3 -0.399 57.8-112.2 -83.6 161.0 12.0 -51.0 23.4 1065 288 B N E -w 1161 0I 26 95,-2.8 97,-2.7 -2,-0.1 2,-0.5 -0.849 37.6-156.4 -92.7 111.6 11.1 -49.3 26.7 1066 289 B V E -w 1162 0I 15 -2,-0.8 2,-0.5 95,-0.2 97,-0.2 -0.803 12.5-172.6 -97.7 129.4 10.5 -45.6 25.9 1067 290 B I E -w 1163 0I 1 95,-2.7 97,-2.7 -2,-0.5 2,-0.6 -0.968 10.1-154.3-121.5 115.8 10.8 -42.9 28.5 1068 291 B K E -w 1164 0I 2 -2,-0.5 -229,-2.2 95,-0.2 2,-0.8 -0.808 9.1-171.2 -95.0 123.1 9.7 -39.3 27.5 1069 292 B V E +w 1165 0I 4 95,-2.5 97,-2.7 -2,-0.6 71,-0.6 -0.794 32.8 145.0-110.6 81.4 11.4 -36.5 29.4 1070 293 B M + 0 0 0 -2,-0.8 69,-2.3 69,-0.2 2,-0.3 0.932 48.9 28.6 -86.8 -56.1 9.2 -33.7 28.1 1071 294 B W B -Z 1138 0L 7 67,-0.3 67,-0.3 68,-0.2 -1,-0.2 -0.868 67.5-122.6-121.1 150.0 8.5 -31.0 30.7 1072 295 B G > - 0 0 0 65,-3.2 3,-1.7 -2,-0.3 4,-0.4 -0.187 42.6 -91.3 -77.9 175.8 10.2 -29.5 33.7 1073 296 B S T > S+ 0 0 39 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.702 118.1 70.9 -61.7 -23.9 8.9 -29.3 37.2 1074 297 B R T 3> S+ 0 0 136 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.703 94.9 57.6 -67.9 -17.6 7.3 -25.9 36.7 1075 298 B W H <> S+ 0 0 16 -3,-1.7 4,-2.6 62,-0.2 5,-0.3 0.685 83.9 82.6 -84.4 -20.9 4.8 -27.6 34.5 1076 299 B D H <> S+ 0 0 36 -3,-1.0 4,-1.8 -4,-0.4 -1,-0.2 0.880 89.6 49.7 -52.7 -46.0 3.6 -30.0 37.2 1077 300 B E H > S+ 0 0 100 -4,-0.5 4,-2.6 -3,-0.2 -1,-0.2 0.942 113.2 47.7 -58.9 -49.4 1.2 -27.6 38.8 1078 301 B L H X S+ 0 0 0 -4,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.937 112.2 46.8 -57.9 -52.3 -0.4 -26.7 35.4 1079 302 B L H < S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.805 113.5 51.6 -61.8 -30.3 -0.8 -30.3 34.3 1080 303 B R H < S+ 0 0 219 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.925 113.2 41.3 -74.2 -45.7 -2.3 -31.2 37.7 1081 304 B K H < S+ 0 0 70 -4,-2.6 2,-2.4 -5,-0.2 -2,-0.2 0.636 85.9 105.0 -78.5 -12.2 -4.9 -28.4 37.7 1082 305 B D >< + 0 0 14 -4,-1.5 3,-0.7 -5,-0.2 6,-0.1 -0.434 40.5 164.2 -71.0 79.5 -5.7 -28.9 34.0 1083 306 B T T 3 + 0 0 143 -2,-2.4 -1,-0.2 1,-0.2 -2,-0.0 0.732 65.1 61.9 -70.6 -23.8 -9.0 -30.7 34.7 1084 307 B S T 3 S- 0 0 63 -3,-0.2 -1,-0.2 36,-0.1 -2,-0.1 0.690 99.9-126.8 -78.1 -19.5 -10.3 -30.3 31.2 1085 308 B G S <> S+ 0 0 35 -3,-0.7 4,-1.7 -6,-0.1 5,-0.1 0.498 76.7 121.9 82.8 3.6 -7.6 -32.3 29.5 1086 309 B K H > + 0 0 41 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.854 63.5 56.3 -67.4 -40.2 -7.1 -29.3 27.2 1087 310 B L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.909 109.9 46.1 -61.3 -41.9 -3.4 -28.7 28.1 1088 311 B I H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -252,-0.3 0.906 112.2 50.8 -68.4 -39.5 -2.6 -32.3 27.0 1089 312 B Q H X S+ 0 0 80 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.923 112.6 46.8 -62.5 -44.6 -4.6 -31.9 23.8 1090 313 B L H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 3,-0.2 0.955 112.6 48.1 -61.7 -52.4 -2.8 -28.7 23.0 1091 314 B M H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.1 50.8 -56.0 -37.1 0.6 -30.2 23.7 1092 315 B N H < S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 113.0 44.1 -69.7 -37.4 -0.3 -33.2 21.6 1093 316 B E H < S+ 0 0 84 -4,-2.0 2,-0.2 -3,-0.2 -2,-0.2 0.701 89.1 97.6 -84.3 -21.6 -1.5 -31.1 18.6 1094 317 B T < - 0 0 14 -4,-1.9 2,-0.2 -5,-0.1 20,-0.0 -0.491 67.9-138.5 -70.6 135.3 1.4 -28.6 18.5 1095 318 B V >> - 0 0 26 -2,-0.2 4,-1.6 -606,-0.2 3,-1.2 -0.562 22.3-103.9 -94.3 160.4 4.0 -29.4 15.9 1096 319 B D H 3> S+ 0 0 0 -47,-3.2 4,-2.5 -50,-0.4 5,-0.2 0.826 114.5 61.5 -46.6 -45.7 7.8 -29.2 16.3 1097 320 B G H 3> S+ 0 0 0 -50,-3.0 4,-1.4 -51,-0.3 -1,-0.3 0.844 108.3 42.7 -55.2 -37.1 8.2 -26.0 14.2 1098 321 B D H <> S+ 0 0 48 -3,-1.2 4,-2.6 -51,-0.4 -1,-0.2 0.856 110.9 53.7 -78.8 -37.3 6.0 -24.0 16.5 1099 322 B Y H X S+ 0 0 5 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.911 108.9 51.9 -62.7 -41.0 7.6 -25.4 19.7 1100 323 B Q H < S+ 0 0 2 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.931 110.2 46.9 -60.7 -47.9 10.9 -24.3 18.3 1101 324 B T H >< S+ 0 0 4 -4,-1.4 3,-2.7 -5,-0.2 4,-0.5 0.918 102.9 63.9 -61.8 -42.9 9.8 -20.8 17.6 1102 325 B F H >< S+ 0 0 19 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.917 101.7 51.4 -44.6 -52.1 8.2 -20.5 21.1 1103 326 B K T 3< S+ 0 0 11 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.548 107.5 54.3 -65.0 -8.3 11.7 -20.9 22.6 1104 327 B S T < S+ 0 0 33 -3,-2.7 -1,-0.3 -4,-0.3 -2,-0.2 0.360 110.1 45.2-107.9 4.1 12.9 -18.1 20.4 1105 328 B K S < S- 0 0 82 -3,-1.8 2,-0.3 -4,-0.5 -3,-0.1 0.379 91.7 -98.7-110.0-117.3 10.3 -15.5 21.3 1106 329 B D > - 0 0 79 1,-0.0 4,-1.9 -4,-0.0 5,-0.2 -0.930 38.6 -75.8-161.2-178.5 9.2 -14.6 24.9 1107 330 B G H > S+ 0 0 4 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.862 123.1 55.2 -58.7 -39.5 6.5 -15.2 27.5 1108 331 B A H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.922 108.0 49.7 -59.9 -44.8 3.9 -12.9 25.8 1109 332 B Y H > S+ 0 0 53 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.921 112.2 47.1 -58.7 -49.1 4.2 -14.8 22.5 1110 333 B V H X>S+ 0 0 16 -4,-1.9 4,-2.4 1,-0.2 5,-1.3 0.904 108.5 55.2 -61.6 -44.1 3.8 -18.2 24.3 1111 334 B R H <>S+ 0 0 70 -4,-2.5 5,-1.0 3,-0.2 -1,-0.2 0.883 118.7 33.8 -58.3 -39.3 0.8 -16.9 26.2 1112 335 B E H <5S+ 0 0 129 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.933 127.2 34.6 -83.5 -50.0 -1.0 -15.9 23.0 1113 336 B H H <5S+ 0 0 66 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.738 130.8 25.5 -81.1 -23.8 0.1 -18.5 20.5 1114 337 B F T ><5S+ 0 0 4 -4,-2.4 3,-1.8 -5,-0.4 4,-0.2 0.810 133.0 23.5-101.7 -78.6 0.3 -21.5 22.8 1115 338 B F G > S- 0 0 42 -3,-1.5 4,-3.0 -4,-0.2 5,-0.2 -0.982 70.6-134.3-133.8 143.7 -8.0 -22.6 24.2 1119 342 B P H > S+ 0 0 102 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.862 111.4 51.8 -61.8 -32.5 -10.0 -20.8 26.8 1120 343 B E H > S+ 0 0 79 2,-0.2 4,-0.8 1,-0.2 -33,-0.1 0.902 114.1 39.9 -70.9 -41.8 -9.2 -23.6 29.2 1121 344 B T H > S+ 0 0 0 1,-0.2 4,-0.9 -6,-0.2 3,-0.4 0.850 113.1 57.8 -74.4 -32.9 -5.5 -23.5 28.6 1122 345 B A H < S+ 0 0 38 -4,-3.0 4,-0.4 -7,-0.3 3,-0.4 0.868 104.4 51.4 -62.9 -38.0 -5.7 -19.7 28.6 1123 346 B A H < S+ 0 0 63 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.730 96.2 70.2 -72.9 -22.9 -7.2 -19.7 32.1 1124 347 B L H < S+ 0 0 14 -4,-0.8 -1,-0.2 -3,-0.4 3,-0.2 0.877 115.2 23.0 -62.8 -39.2 -4.4 -21.9 33.5 1125 348 B V S >< S+ 0 0 1 -4,-0.9 3,-2.3 -3,-0.4 -1,-0.2 0.302 89.0 108.6-111.4 9.0 -1.8 -19.2 33.2 1126 349 B A T 3 S+ 0 0 67 -4,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.829 86.4 46.4 -53.5 -32.3 -4.2 -16.2 33.2 1127 350 B D T 3 S+ 0 0 115 -4,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.434 98.4 95.4 -90.2 -1.4 -2.9 -15.4 36.7 1128 351 B W S < S- 0 0 29 -3,-2.3 2,-0.2 1,-0.1 -3,-0.1 -0.586 76.0-121.0 -89.9 152.4 0.8 -16.0 35.7 1129 352 B T > - 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