==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 20-SEP-04 1XHU . COMPND 2 MOLECULE: 5'-D(*GP*CP*CP*GP*GP*TP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.ETZKORN,N.C.HORTON . 1018 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47377.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 754 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 12.7 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 . 11 1.1 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 0.2 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 . 102 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 3 3 4 2 0 3 2 3 0 4 0 0 0 1 0 0 1 1 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 2 0 0 0 0 2 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 9 7 1 2 1 0 2 1 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 5 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 A S 0 0 46 0, 0.0 122,-0.0 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 121.1 -0.3 22.6 200.3 2 3 A F + 0 0 43 1,-0.2 4,-0.1 2,-0.1 49,-0.0 0.589 360.0 50.6 -80.4 -9.9 -1.1 23.4 196.6 3 4 A I S > S+ 0 0 2 2,-0.1 3,-1.9 1,-0.1 4,-0.2 0.796 92.1 74.0 -96.4 -32.4 1.1 20.5 195.7 4 5 A K G > S+ 0 0 95 1,-0.3 3,-2.8 2,-0.2 4,-0.4 0.906 90.8 56.2 -46.0 -56.3 -0.6 17.9 198.0 5 6 A P G 3 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.708 119.1 34.7 -52.3 -21.5 -3.7 17.5 195.8 6 7 A I G <> S+ 0 0 20 -3,-1.9 4,-1.6 2,-0.1 -2,-0.2 0.160 81.4 113.6-119.0 17.5 -1.4 16.6 192.9 7 8 A Y H <> S+ 0 0 47 -3,-2.8 4,-3.2 2,-0.2 5,-0.2 0.865 82.3 49.5 -54.1 -40.8 1.2 14.8 194.9 8 9 A Q H > S+ 0 0 134 -4,-0.4 4,-2.5 2,-0.2 5,-0.3 0.999 104.6 54.2 -58.8 -69.4 0.1 11.7 193.1 9 10 A D H > S+ 0 0 69 1,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.768 116.2 43.2 -37.1 -32.3 0.3 13.2 189.6 10 11 A I H X S+ 0 0 1 -4,-1.6 4,-1.5 -7,-0.2 -1,-0.2 0.946 107.8 55.2 -81.5 -53.4 3.9 14.1 190.6 11 12 A N H X S+ 0 0 39 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.835 111.1 48.8 -48.7 -36.9 4.9 10.8 192.2 12 13 A S H < S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.990 106.7 50.4 -70.0 -59.9 4.0 9.1 189.0 13 14 A I H < S+ 0 0 71 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.683 117.3 44.6 -54.1 -17.7 5.7 11.2 186.5 14 15 A L H >< S+ 0 0 1 -4,-1.5 3,-2.7 2,-0.1 167,-0.4 0.933 86.3 87.5 -92.1 -59.3 8.9 10.9 188.5 15 16 A I T 3< S+ 0 0 66 -4,-1.9 167,-0.2 1,-0.3 3,-0.1 -0.192 103.7 13.2 -47.8 110.4 9.3 7.3 189.5 16 17 A G T 3 S+ 0 0 47 165,-1.4 -1,-0.3 1,-0.4 2,-0.2 0.306 87.9 136.3 107.0 -10.2 11.1 5.5 186.7 17 18 A Q < - 0 0 99 -3,-2.7 164,-1.0 1,-0.0 2,-0.6 -0.532 45.0-143.2 -75.0 137.8 12.3 8.5 184.8 18 19 A K E +A 180 0A 125 -2,-0.2 2,-0.3 162,-0.2 162,-0.2 -0.918 20.9 178.5-108.3 117.4 15.9 8.2 183.6 19 20 A V E -A 179 0A 23 160,-0.9 160,-2.7 -2,-0.6 17,-0.0 -0.742 36.6 -91.6-111.6 161.8 18.1 11.4 183.6 20 21 A K - 0 0 163 -2,-0.3 158,-0.1 158,-0.2 -1,-0.1 -0.256 51.9 -90.6 -68.4 161.1 21.7 11.7 182.6 21 22 A R - 0 0 28 156,-0.2 2,-1.1 1,-0.1 3,-0.3 -0.527 48.4 -93.5 -76.9 140.2 24.4 11.4 185.2 22 23 A P S > S- 0 0 19 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 -0.324 82.0 -57.7 -57.0 89.6 25.6 14.6 187.0 23 24 A K T 3 S- 0 0 67 -2,-1.1 3,-0.1 1,-0.3 254,-0.0 0.697 84.4 -87.4 42.8 25.0 28.6 15.7 184.9 24 25 A S T 3 S+ 0 0 107 -3,-0.3 -1,-0.3 1,-0.1 2,-0.1 0.832 102.9 109.8 47.7 35.7 30.1 12.3 185.7 25 26 A G S < S- 0 0 21 -3,-2.7 2,-0.7 1,-0.1 -1,-0.1 -0.221 78.8 -30.1-116.8-152.0 31.5 13.9 188.9 26 27 A T - 0 0 11 1,-0.1 2,-1.9 -3,-0.1 -1,-0.1 -0.576 50.0-147.8 -71.2 110.1 31.0 13.7 192.6 27 28 A L + 0 0 57 -2,-0.7 2,-0.2 -3,-0.1 -1,-0.1 -0.030 64.1 112.4 -69.4 37.0 27.3 12.9 193.1 28 29 A S > - 0 0 16 -2,-1.9 3,-0.9 4,-0.1 260,-0.4 -0.706 67.7 -11.6-113.8 163.4 27.5 15.0 196.3 29 30 A G G > S+ 0 0 43 1,-0.2 3,-1.6 -2,-0.2 2,-0.4 -0.184 128.8 2.0 54.6-137.5 26.1 18.3 197.5 30 31 A H G 3 S+ 0 0 94 1,-0.2 -1,-0.2 255,-0.1 255,-0.2 0.151 134.1 56.2 -69.6 23.7 24.4 20.6 194.9 31 32 A A G < S+ 0 0 13 -3,-0.9 3,-0.3 -2,-0.4 -1,-0.2 0.479 75.1 97.9-130.4 -11.9 25.0 18.0 192.3 32 33 A A S < S- 0 0 13 -3,-1.6 -4,-0.1 1,-0.2 -2,-0.1 0.910 109.1 -12.1 -43.7 -94.3 23.4 14.8 193.6 33 34 A G S >> S+ 0 0 1 1,-0.2 3,-1.1 96,-0.1 4,-1.1 -0.206 81.8 146.4-108.9 42.8 20.0 14.7 191.9 34 35 A E H >> + 0 0 58 -3,-0.3 4,-1.5 1,-0.2 3,-1.0 0.900 67.5 60.1 -39.8 -58.1 19.9 18.1 190.4 35 36 A P H 3> S+ 0 0 31 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.800 99.3 56.4 -41.8 -44.2 17.9 16.9 187.3 36 37 A F H <> S+ 0 0 0 -3,-1.1 4,-3.2 2,-0.2 5,-0.3 0.907 103.5 53.6 -59.1 -45.8 15.0 15.7 189.3 37 38 A E H X S+ 0 0 21 -4,-1.9 4,-2.3 1,-0.2 3,-1.3 0.979 109.9 41.2 -58.8 -60.3 6.0 19.6 186.1 44 45 A L H 3X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.3 8,-0.2 0.886 108.9 60.3 -53.4 -44.0 4.4 22.0 188.5 45 46 A K H 3< S+ 0 0 60 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.777 111.7 41.4 -58.4 -23.8 5.1 24.9 186.1 46 47 A E H << S+ 0 0 138 -3,-1.3 3,-0.3 -4,-1.1 -1,-0.2 0.828 127.5 31.2 -89.4 -39.8 2.9 23.0 183.6 47 48 A N H < S+ 0 0 70 -4,-2.3 2,-1.1 1,-0.2 3,-0.2 0.960 133.3 28.2 -81.6 -73.2 0.3 22.0 186.1 48 49 A L S >X S+ 0 0 32 -4,-1.0 3,-2.4 1,-0.2 4,-2.0 -0.162 80.9 160.8 -82.2 46.2 0.2 24.7 188.6 49 50 A S T 34 S+ 0 0 38 -2,-1.1 -1,-0.2 -3,-0.3 -2,-0.1 0.698 71.2 39.3 -39.5 -32.8 1.3 27.2 185.9 50 51 A D T 34 S+ 0 0 133 -3,-0.2 -1,-0.3 1,-0.1 67,-0.1 0.524 118.0 44.8-101.6 -5.6 0.2 30.3 187.8 51 52 A L T <4 S+ 0 0 28 -3,-2.4 66,-2.2 -7,-0.2 2,-0.4 0.630 90.6 98.7-106.9 -21.1 1.2 29.4 191.3 52 53 A T E < +B 116 0A 0 -4,-2.0 2,-0.3 64,-0.2 64,-0.2 -0.557 42.7 149.6 -80.5 127.7 4.6 28.0 190.6 53 54 A F E -B 115 0A 31 62,-2.2 62,-3.2 -2,-0.4 2,-0.5 -0.942 42.2-126.3-147.3 163.5 7.7 30.1 191.1 54 55 A K >> - 0 0 21 -2,-0.3 4,-2.7 60,-0.3 3,-0.5 -0.983 40.8-109.0-117.7 121.4 11.3 29.8 192.0 55 56 A Q H 3> S+ 0 0 7 -2,-0.5 4,-2.4 1,-0.3 -1,-0.2 0.649 118.2 32.9 -9.5 -73.8 12.2 31.9 195.0 56 57 A Y H 3> S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.941 116.5 55.1 -60.3 -51.0 14.3 34.4 192.9 57 58 A E H <> S+ 0 0 46 -3,-0.5 4,-0.8 1,-0.2 -1,-0.2 0.899 110.5 50.1 -47.3 -41.5 12.2 34.1 189.8 58 59 A Y H >X S+ 0 0 15 -4,-2.7 4,-2.6 2,-0.2 3,-1.2 0.953 108.2 50.5 -62.5 -52.6 9.3 35.1 192.2 59 60 A L H 3X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.933 105.2 56.9 -51.3 -51.6 11.2 38.1 193.6 60 61 A N H 3X S+ 0 0 12 -4,-2.9 4,-1.8 1,-0.2 -1,-0.3 0.744 110.3 46.0 -54.6 -24.8 12.0 39.3 190.1 61 62 A D H < S+ 0 0 4 -4,-2.6 3,-2.1 -5,-0.2 6,-0.3 0.952 115.4 50.5 -75.7 -50.1 9.6 43.8 191.7 64 65 A M H 3< S+ 0 0 93 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.869 106.5 58.3 -55.2 -37.0 9.0 44.0 188.0 65 66 A K T 3< S+ 0 0 155 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.615 108.5 47.7 -69.2 -13.3 5.3 44.1 188.7 66 67 A N X + 0 0 55 -3,-2.1 3,-1.8 -5,-0.3 -1,-0.3 -0.550 68.9 161.2-126.6 63.5 6.0 47.3 190.7 67 68 A P T 3 + 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.801 69.4 60.5 -55.3 -35.3 8.1 49.2 188.3 68 69 A A T 3 S+ 0 0 89 -3,-0.1 2,-0.8 -4,-0.1 -4,-0.1 0.609 85.5 94.1 -73.3 -7.6 7.5 52.6 190.0 69 70 A I < + 0 0 48 -3,-1.8 2,-0.3 -6,-0.3 -3,-0.1 -0.761 50.9 164.8 -94.3 112.8 9.0 51.3 193.3 70 71 A I + 0 0 118 -2,-0.8 4,-0.5 5,-0.0 5,-0.1 -0.827 35.4 49.3-120.8 160.1 12.7 52.1 193.7 71 72 A G S > S- 0 0 10 25,-0.3 4,-2.3 -2,-0.3 3,-0.3 0.391 82.0-102.4 85.8 135.3 15.0 52.0 196.7 72 73 A H H > S+ 0 0 43 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.914 115.9 66.5 -57.9 -41.3 15.3 49.1 199.1 73 74 A E H 4 S+ 0 0 143 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.896 111.0 31.7 -44.6 -57.6 13.2 51.0 201.6 74 75 A A H >4 S+ 0 0 32 -4,-0.5 3,-1.9 -3,-0.3 4,-0.4 0.873 114.8 59.5 -72.1 -39.8 10.0 50.9 199.5 75 76 A R H >< S+ 0 0 21 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.900 99.1 57.9 -58.8 -38.1 10.8 47.6 197.8 76 77 A Y T 3< S+ 0 0 55 -4,-3.0 3,-0.5 1,-0.3 4,-0.4 0.610 100.4 59.0 -65.9 -10.0 10.9 45.9 201.2 77 78 A K T < S+ 0 0 152 -3,-1.9 -1,-0.3 -5,-0.2 3,-0.3 0.565 85.6 78.9 -92.0 -9.9 7.3 47.2 201.6 78 79 A L S < S+ 0 0 23 -3,-2.2 -1,-0.2 -4,-0.4 -2,-0.2 0.527 88.1 58.1 -72.5 -6.0 6.4 45.2 198.5 79 80 A F S S- 0 0 5 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.803 86.6-154.4 -91.0 -35.1 6.3 42.1 200.7 80 81 A N + 0 0 133 -4,-0.4 -3,-0.1 -3,-0.3 -2,-0.1 0.751 68.7 74.7 66.3 22.4 3.7 43.4 203.0 81 82 A S > - 0 0 15 -5,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.753 64.1-152.8-168.7 120.4 5.0 41.1 205.7 82 83 A P H > S+ 0 0 47 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.945 101.1 45.6 -54.5 -55.8 8.1 41.0 208.0 83 84 A T H > S+ 0 0 0 70,-0.2 4,-1.9 2,-0.2 5,-0.2 0.975 115.3 44.7 -54.8 -62.5 8.2 37.3 208.3 84 85 A L H > S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.859 114.0 52.8 -51.1 -37.2 7.7 36.5 204.7 85 86 A L H >X S+ 0 0 43 -4,-2.5 4,-2.7 1,-0.2 3,-1.4 0.967 103.6 55.9 -62.7 -51.7 10.2 39.2 203.9 86 87 A F H 3< S+ 0 0 60 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.880 111.6 45.3 -46.7 -41.4 12.7 37.6 206.2 87 88 A L H 3< S+ 0 0 6 -4,-1.9 24,-0.5 -5,-0.2 25,-0.3 0.574 125.9 23.4 -82.8 -12.4 12.4 34.4 204.2 88 89 A L H << S+ 0 0 0 -3,-1.4 -2,-0.2 -4,-0.9 -3,-0.2 0.566 91.5 111.3-131.3 -12.6 12.6 35.7 200.6 89 90 A S < - 0 0 31 -4,-2.7 -30,-0.0 -5,-0.2 -13,-0.0 0.031 52.8-145.4 -60.8 169.7 14.4 39.0 200.7 90 91 A R - 0 0 26 1,-0.1 4,-0.4 2,-0.1 -1,-0.1 0.413 42.7 -94.1-124.6 3.8 17.8 39.7 199.2 91 92 A G > - 0 0 37 3,-0.1 4,-3.2 2,-0.1 5,-0.3 0.164 42.6 -78.4 94.0 143.1 19.6 42.3 201.3 92 93 A K H > S+ 0 0 140 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.899 126.3 43.9 -40.2 -68.8 20.0 46.1 201.1 93 94 A A H > S+ 0 0 71 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.952 117.9 44.1 -43.5 -65.8 22.6 46.2 198.3 94 95 A A H > S+ 0 0 35 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.854 116.5 47.0 -49.9 -45.3 20.9 43.6 196.1 95 96 A T H < S+ 0 0 1 -4,-3.2 3,-0.2 2,-0.2 -1,-0.2 0.942 115.7 43.7 -62.4 -52.4 17.5 45.0 196.7 96 97 A E H < S+ 0 0 88 -4,-3.0 -25,-0.3 -5,-0.3 -2,-0.2 0.835 115.6 50.0 -62.3 -38.0 18.6 48.6 196.0 97 98 A N H < S+ 0 0 108 -4,-3.1 -1,-0.2 -5,-0.4 -2,-0.2 0.766 83.8 121.6 -77.0 -23.0 20.6 47.5 193.0 98 99 A W < + 0 0 18 -4,-1.5 2,-0.3 -5,-0.3 5,-0.2 0.108 32.7 154.3 -40.7 152.2 17.8 45.4 191.4 99 100 A S B > -F 102 0B 37 3,-0.7 3,-2.0 1,-0.0 -35,-0.1 -0.959 60.9-102.8-174.4 159.9 16.7 46.3 187.9 100 101 A I T 3 S+ 0 0 92 1,-0.3 3,-0.3 -2,-0.3 -2,-0.1 0.674 130.2 45.8 -66.7 -12.4 15.2 44.9 184.7 101 102 A E T 3 S+ 0 0 155 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.192 118.0 42.4-111.9 10.1 18.8 44.9 183.6 102 103 A N B < S+F 99 0B 89 -3,-2.0 -3,-0.7 2,-0.0 -1,-0.2 -0.311 83.5 179.4-152.6 53.7 20.1 43.4 186.8 103 104 A L - 0 0 80 -3,-0.3 2,-0.1 -5,-0.2 -3,-0.1 -0.152 35.6 -97.0 -59.0 153.0 17.5 40.7 187.5 104 105 A F - 0 0 15 -48,-0.2 2,-0.2 -47,-0.1 -1,-0.1 -0.438 43.0-164.6 -71.0 146.4 17.9 38.5 190.6 105 106 A E - 0 0 152 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.0 -0.587 35.9 -63.4-121.2-175.4 19.5 35.1 190.0 106 107 A E - 0 0 84 -2,-0.2 2,-0.4 -50,-0.1 -1,-0.1 -0.527 51.7-164.2 -73.6 137.5 19.7 31.9 192.0 107 108 A K > - 0 0 95 -2,-0.2 3,-1.5 1,-0.1 -51,-0.1 -0.974 25.3-131.1-124.8 140.3 21.5 32.2 195.3 108 109 A Q T 3 S+ 0 0 108 -2,-0.4 -1,-0.1 1,-0.3 177,-0.0 0.811 107.5 54.1 -58.0 -33.3 22.9 29.4 197.5 109 110 A N T 3 S+ 0 0 121 -3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.586 76.1 133.4 -76.8 -13.8 21.3 30.8 200.6 110 111 A D < - 0 0 29 -3,-1.5 -22,-0.1 1,-0.1 -23,-0.0 -0.147 51.8-145.1 -43.4 129.0 17.9 30.9 199.1 111 112 A T S S+ 0 0 25 -24,-0.5 2,-0.2 1,-0.0 -1,-0.1 0.983 74.5 37.8 -60.5 -66.4 15.4 29.5 201.6 112 113 A A - 0 0 4 -25,-0.3 14,-0.2 1,-0.1 3,-0.1 -0.626 56.6-154.7 -96.7 153.1 13.0 27.7 199.3 113 114 A D S S+ 0 0 43 12,-1.3 2,-0.4 1,-0.3 13,-0.2 0.816 88.2 18.0 -87.5 -41.1 13.5 25.7 196.1 114 115 A I E - C 0 125A 0 11,-2.9 11,-3.0 -60,-0.2 2,-0.5 -0.999 66.2-154.5-138.0 138.3 10.0 26.3 194.8 115 116 A L E -BC 53 124A 0 -62,-3.2 -62,-2.2 -2,-0.4 2,-0.6 -0.942 6.1-170.6-110.9 127.6 7.3 28.9 195.7 116 117 A L E -BC 52 123A 0 7,-1.9 7,-2.1 -2,-0.5 2,-0.5 -0.955 14.2-173.2-116.1 111.2 3.6 28.2 195.2 117 118 A V E + C 0 122A 30 -66,-2.2 2,-0.3 -2,-0.6 5,-0.2 -0.900 17.0 145.4-114.6 135.4 1.5 31.3 195.7 118 119 A K E > - C 0 121A 93 3,-2.5 3,-0.8 -2,-0.5 -67,-0.0 -0.887 65.9 -2.5-163.9 128.8 -2.2 31.7 195.8 119 120 A D T 3 S- 0 0 128 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.973 125.8 -52.4 52.1 70.0 -4.7 33.8 197.8 120 121 A Q T 3 S+ 0 0 143 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.681 117.1 116.5 43.1 20.9 -2.2 35.7 200.0 121 122 A F E < -C 118 0A 36 -3,-0.8 -3,-2.5 2,-0.0 2,-0.4 -0.965 48.7-159.5-123.1 135.3 -0.9 32.2 200.9 122 123 A Y E -Cd 117 163A 23 40,-2.8 42,-1.0 -2,-0.4 2,-0.6 -0.883 8.7-160.2-116.4 138.5 2.6 30.8 200.3 123 124 A E E -Cd 116 164A 0 -7,-2.1 -7,-1.9 -2,-0.4 2,-1.0 -0.939 8.9-156.2-116.8 114.1 4.0 27.4 200.1 124 125 A L E -Cd 115 165A 3 40,-3.0 42,-2.4 -2,-0.6 2,-0.5 -0.777 17.0-168.8 -89.2 103.3 7.8 27.1 200.5 125 126 A L E -Cd 114 166A 0 -11,-3.0 -11,-2.9 -2,-1.0 -12,-1.3 -0.836 7.9-179.4 -99.1 126.7 8.6 23.8 198.8 126 127 A D E - 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0 0 12 -2,-0.3 4,-3.6 60,-0.2 5,-0.3 -0.880 38.9-113.5-107.4 142.4 44.0 9.7 195.7 312 56 B Q H > S+ 0 0 4 -2,-0.4 4,-2.4 57,-0.4 3,-0.2 0.935 121.3 37.8 -42.0 -56.7 43.1 9.1 199.4 313 57 B Y H > S+ 0 0 61 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.929 113.3 55.7 -61.5 -45.2 41.3 6.0 198.4 314 58 B E H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 109.9 48.1 -54.8 -39.3 43.8 5.0 195.7 315 59 B Y H X S+ 0 0 17 -4,-3.6 4,-2.6 -3,-0.2 -1,-0.2 0.954 111.4 48.7 -68.1 -48.0 46.5 5.2 198.4 316 60 B L H X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.947 112.3 48.5 -56.5 -48.5 44.5 3.1 200.9 317 61 B N H X S+ 0 0 13 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.885 111.8 49.5 -60.6 -37.1 43.8 0.5 198.2 318 62 B D H X S+ 0 0 66 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.900 108.5 54.3 -68.6 -38.2 47.4 0.4 197.2 319 63 B L H >< S+ 0 0 12 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.965 113.8 40.4 -58.0 -53.6 48.3 -0.0 200.9 320 64 B F H >< S+ 0 0 6 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.781 109.9 60.2 -66.7 -28.4 46.1 -3.0 201.3 321 65 B M H 3< S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 101.9 52.3 -71.0 -29.0 47.1 -4.5 197.9 322 66 B K T << S+ 0 0 139 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.1 -0.109 107.8 54.1-100.4 33.9 50.7 -4.8 198.8 323 67 B N X + 0 0 41 -3,-0.9 3,-1.6 3,-0.1 -1,-0.2 -0.282 57.7 155.2-159.8 56.2 50.0 -6.7 202.0 324 68 B P T 3 S+ 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.808 70.5 66.0 -58.0 -34.7 47.8 -9.7 201.0 325 69 B A T 3 S+ 0 0 98 2,-0.0 2,-0.5 -3,-0.0 -3,-0.0 0.707 92.0 76.1 -62.2 -21.6 48.9 -11.7 204.0 326 70 B I < + 0 0 42 -3,-1.6 2,-0.3 -6,-0.2 -3,-0.1 -0.813 58.3 156.0 -98.8 127.1 47.1 -9.2 206.2 327 71 B I > + 0 0 117 -2,-0.5 4,-0.6 1,-0.1 5,-0.2 -0.883 32.9 58.4-139.4 171.7 43.3 -9.3 206.5 328 72 B G H >> S- 0 0 11 25,-0.5 4,-2.2 -2,-0.3 3,-0.6 0.716 84.8 -98.2 73.5 121.0 40.7 -8.1 209.0 329 73 B H H 3> S+ 0 0 76 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.782 119.5 68.4 -34.1 -41.4 40.4 -4.5 210.1 330 74 B E H 3> S+ 0 0 64 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.957 110.9 26.4 -45.4 -72.7 42.4 -5.4 213.1 331 75 B A H X< S+ 0 0 45 -4,-0.6 3,-0.5 -3,-0.6 4,-0.5 0.830 117.5 63.6 -65.0 -32.9 45.7 -6.1 211.4 332 76 B R H >< S+ 0 0 16 -4,-2.2 3,-2.1 1,-0.3 4,-0.4 0.928 99.6 50.8 -58.8 -48.9 44.9 -3.7 208.5 333 77 B Y H >< S+ 0 0 50 -4,-2.9 3,-0.8 1,-0.3 4,-0.4 0.735 102.7 63.9 -61.6 -21.9 44.8 -0.6 210.7 334 78 B K T << S+ 0 0 67 -4,-0.7 3,-0.4 -3,-0.5 -1,-0.3 0.664 85.7 73.9 -76.8 -14.3 48.2 -1.7 212.0 335 79 B L T < S+ 0 0 39 -3,-2.1 -1,-0.2 -4,-0.5 -2,-0.2 0.742 83.7 67.3 -69.8 -22.6 49.7 -1.3 208.5 336 80 B F S < S- 0 0 14 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.887 82.2-155.1 -64.0 -42.0 49.6 2.5 208.9 337 81 B N + 0 0 146 -4,-0.4 -3,-0.1 -3,-0.4 -2,-0.1 0.751 67.2 81.4 68.4 27.4 52.2 2.7 211.6 338 82 B S > - 0 0 6 1,-0.1 4,-2.3 2,-0.1 5,-0.2 -0.777 62.8-156.7-163.3 113.3 50.9 5.9 212.8 339 83 B P H > S+ 0 0 53 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.855 101.4 49.7 -58.7 -32.6 47.9 6.5 215.1 340 84 B T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.998 110.5 43.1 -69.4 -69.2 47.7 10.0 213.5 341 85 B L H >>S+ 0 0 3 1,-0.2 4,-3.6 2,-0.2 5,-0.6 0.837 114.6 57.1 -44.1 -37.2 47.9 9.2 209.8 342 86 B L H X5S+ 0 0 45 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.982 106.8 44.9 -57.6 -62.0 45.4 6.4 210.7 343 87 B F H <5S+ 0 0 65 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.824 120.6 42.2 -52.8 -37.9 42.9 8.8 212.2 344 88 B L H <5S+ 0 0 4 -4,-2.5 24,-0.5 -5,-0.1 -1,-0.2 0.821 131.2 18.5 -82.6 -32.8 43.4 11.1 209.2 345 89 B L H <5S+ 0 0 0 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.2 0.854 93.6 102.1-106.4 -45.6 43.4 8.6 206.4 346 90 B S << - 0 0 33 -4,-1.8 2,-0.2 -5,-0.6 3,-0.1 0.245 59.8-133.2 -39.6 162.4 42.0 5.3 207.5 347 91 B R - 0 0 30 1,-0.2 5,-0.1 2,-0.1 -1,-0.1 -0.529 41.2 -61.0-111.6 179.2 38.5 4.2 206.5 348 92 B G > - 0 0 41 -2,-0.2 4,-2.5 3,-0.1 5,-0.2 -0.133 45.5-113.3 -63.5 159.5 35.8 2.7 208.7 349 93 B K H >> S+ 0 0 53 1,-0.2 4,-3.4 2,-0.2 3,-0.8 0.986 118.3 40.0 -56.1 -67.0 36.1 -0.6 210.6 350 94 B A H 3> S+ 0 0 70 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.789 117.2 55.1 -55.8 -21.7 33.5 -2.6 208.7 351 95 B A H 34 S+ 0 0 43 2,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.850 111.1 41.8 -77.9 -35.5 34.9 -0.8 205.6 352 96 B T H X< S+ 0 0 0 -4,-2.5 3,-1.3 -3,-0.8 -24,-0.2 0.918 112.5 55.5 -74.5 -45.2 38.4 -2.0 206.4 353 97 B E H 3< S+ 0 0 76 -4,-3.4 2,-1.1 1,-0.3 -25,-0.5 0.954 107.7 47.3 -51.0 -60.8 37.3 -5.4 207.3 354 98 B N T 3< S+ 0 0 106 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.3 -0.132 85.6 131.3 -78.2 39.4 35.4 -6.1 204.0 355 99 B W < + 0 0 15 -3,-1.3 2,-0.3 -2,-1.1 5,-0.2 -0.775 19.0 131.1-100.2 139.8 38.2 -4.9 201.7 356 100 B S B > -O 359 0F 39 3,-1.9 3,-3.4 -2,-0.4 -35,-0.1 -0.954 68.2 -92.8-174.5 156.9 39.6 -6.8 198.7 357 101 B I T 3 S+ 0 0 115 1,-0.3 3,-0.4 -2,-0.3 -1,-0.0 0.734 126.5 56.8 -49.9 -27.2 40.4 -6.4 195.1 358 102 B E T 3 S+ 0 0 188 1,-0.3 -1,-0.3 -3,-0.0 2,-0.1 0.539 122.1 27.8 -83.6 -6.1 36.9 -7.5 194.3 359 103 B N B < S+O 356 0F 91 -3,-3.4 -3,-1.9 2,-0.0 -1,-0.3 -0.604 84.5 178.8-155.4 84.9 35.7 -4.7 196.5 360 104 B L - 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L 0 382E 2 11,-2.6 11,-2.6 -60,-0.2 2,-0.5 -0.996 60.5-160.9-139.9 142.3 45.4 14.4 197.1 372 116 B L E -KL 310 381E 0 -62,-2.2 -62,-2.0 -2,-0.4 2,-0.4 -0.982 4.6-175.6-118.4 128.6 48.1 12.4 198.8 373 117 B L E -K 309 0E 0 7,-0.8 7,-0.4 -2,-0.5 -64,-0.2 -0.733 18.1-175.5-123.9 79.7 51.7 12.7 197.6 374 118 B V + 0 0 17 -66,-1.3 2,-0.2 -2,-0.4 5,-0.2 -0.469 11.3 160.7 -80.3 147.3 53.6 10.2 199.7 375 119 B K B > -P 378 0G 101 3,-2.0 3,-1.5 -2,-0.2 -67,-0.1 -0.811 63.3 -8.7-167.8 122.7 57.3 9.8 199.6 376 120 B D T 3 S- 0 0 136 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.931 123.5 -55.2 53.8 55.8 59.8 8.2 202.0 377 121 B Q T 3 S+ 0 0 76 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.389 115.2 118.3 62.8 -9.2 57.4 7.7 204.9 378 122 B F B < -P 375 0G 44 -3,-1.5 -3,-2.0 42,-0.0 2,-0.4 -0.807 49.7-159.6 -94.7 127.4 56.6 11.5 204.7 379 123 B Y E - m 0 420E 26 40,-3.0 42,-1.7 -2,-0.5 2,-0.6 -0.895 14.6-170.7-110.8 129.8 53.0 12.4 203.8 380 124 B E E - m 0 421E 0 -2,-0.4 2,-1.0 -7,-0.4 -7,-0.8 -0.862 14.5-156.2-115.4 93.0 51.7 15.8 202.4 381 125 B L E -Lm 372 422E 3 40,-2.7 42,-1.0 -2,-0.6 2,-0.3 -0.595 18.1-163.7 -72.9 101.8 47.9 15.7 202.6 382 126 B L E -Lm 371 423E 0 -11,-2.6 -11,-2.6 -2,-1.0 -12,-1.6 -0.662 8.4-165.4 -90.7 142.1 47.0 18.2 199.8 383 127 B D E - m 0 424E 20 40,-1.0 42,-3.1 -2,-0.3 2,-0.4 -0.985 10.4-143.7-128.3 135.7 43.5 19.8 199.5 384 128 B V E - m 0 425E 8 -2,-0.4 2,-0.4 40,-0.2 42,-0.2 -0.850 14.0-171.1-102.5 135.5 42.2 21.7 196.5 385 129 B K E - m 0 426E 28 40,-3.1 42,-3.3 -2,-0.4 2,-0.3 -0.979 6.1-158.6-126.6 117.0 39.9 24.7 197.0 386 130 B T E - m 0 427E 39 -2,-0.4 2,-0.4 40,-0.2 42,-0.2 -0.750 7.5-165.3 -98.4 145.8 38.1 26.3 194.0 387 131 B R E - m 0 428E 28 40,-1.6 42,-2.7 -2,-0.3 2,-1.3 -0.991 25.4-133.6-133.1 137.0 36.8 29.9 194.1 388 132 B N E > - m 0 429E 43 -2,-0.4 3,-1.3 40,-0.2 5,-0.3 -0.752 25.1-170.2 -86.1 92.7 34.4 31.8 191.8 389 133 B I T 3 S+ 0 0 44 40,-2.0 -1,-0.2 -2,-1.3 41,-0.2 0.665 71.0 84.9 -61.6 -18.3 36.6 34.9 191.5 390 134 B S T 3 S+ 0 0 83 39,-0.6 2,-0.3 -3,-0.1 -1,-0.3 0.499 98.3 38.6 -64.1 -1.3 33.7 36.8 189.8 391 135 B K S < S- 0 0 132 -3,-1.3 2,-0.9 2,-0.0 0, 0.0 -0.940 81.2-114.7-147.3 169.4 32.6 37.6 193.4 392 136 B S + 0 0 121 -2,-0.3 -3,-0.1 0, 0.0 2,-0.1 -0.705 50.9 169.1-106.0 77.8 33.6 38.5 196.9 393 137 B A - 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0 0 12 -2,-0.8 3,-1.8 3,-0.1 256,-0.1 -0.988 69.2 -41.8-133.4 135.2 22.5 -19.3 224.9 542 30 C G G > >S+ 0 0 39 -2,-0.4 3,-2.3 1,-0.3 5,-0.5 -0.207 128.1 5.4 53.7-136.0 24.4 -18.5 228.1 543 31 C H G 3 5S+ 0 0 64 1,-0.3 250,-0.4 2,-0.1 -1,-0.3 0.474 132.1 60.4 -57.0 -3.5 25.4 -21.5 230.2 544 32 C A G < 5S+ 0 0 6 -3,-1.8 -1,-0.3 3,-0.1 -2,-0.2 0.154 99.3 59.4-111.2 14.7 24.1 -23.7 227.4 545 33 C A T < 5S- 0 0 11 -3,-2.3 4,-0.2 -5,-0.2 -2,-0.1 0.584 123.0 -8.1-105.8-102.8 26.4 -22.4 224.7 546 34 C G T >>5S+ 0 0 0 93,-0.3 4,-1.1 -4,-0.3 3,-1.1 0.519 99.6 109.4 -78.2 -4.1 30.2 -22.6 225.0 547 35 C E H >>> S+ 0 0 25 0, 0.0 3,-1.5 0, 0.0 4,-0.9 0.896 99.7 64.3 -55.2 -41.7 31.0 -27.4 227.5 549 37 C F H <> S+ 0 0 3 -3,-1.1 4,-1.3 1,-0.3 3,-0.5 0.798 90.8 66.5 -53.2 -29.3 34.0 -25.9 225.7 550 38 C E H XX S+ 0 0 45 -3,-1.4 4,-2.4 -4,-1.1 3,-0.5 0.913 97.9 53.1 -58.2 -41.1 35.2 -24.8 229.1 551 39 C K H > + 0 0 38 -4,-0.1 2,-1.9 -5,-0.1 3,-0.9 -0.141 63.8 155.4-159.3 48.2 50.1 -28.4 233.5 562 50 C S T 34 + 0 0 81 -4,-0.5 -4,-0.1 1,-0.2 -5,-0.0 -0.445 65.7 60.8 -81.9 66.8 48.7 -31.2 235.8 563 51 C D T 34 S+ 0 0 92 -2,-1.9 -1,-0.2 64,-0.0 3,-0.1 0.216 112.4 25.2-172.7 16.0 50.4 -29.9 239.0 564 52 C L T <4 S+ 0 0 32 -3,-0.9 63,-1.5 1,-0.1 2,-0.8 0.272 89.3 107.7-167.0 1.1 48.9 -26.4 239.6 565 53 C T E < +T 626 0I 14 -4,-0.6 2,-0.4 61,-0.2 61,-0.2 -0.827 37.3 163.6 -99.6 104.9 45.6 -26.4 237.8 566 54 C F E -T 625 0I 63 59,-3.8 59,-2.8 -2,-0.8 2,-1.7 -0.974 38.2-131.7-123.0 133.5 42.6 -26.5 240.2 567 55 C K > - 0 0 18 -2,-0.4 3,-2.2 57,-0.2 2,-0.6 -0.523 42.7-109.4 -84.1 73.4 39.0 -25.7 239.2 568 56 C Q T >> S+ 0 0 4 -2,-1.7 4,-2.6 1,-0.3 3,-0.7 -0.100 116.8 45.6 42.2 -87.7 38.1 -23.3 242.1 569 57 C Y H 3> S+ 0 0 95 -2,-0.6 4,-2.6 1,-0.3 -1,-0.3 0.853 114.7 51.1 -50.4 -36.7 35.6 -25.5 244.0 570 58 C E H <> S+ 0 0 25 -3,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.857 110.8 48.8 -69.5 -34.3 38.2 -28.3 243.6 571 59 C Y H <> S+ 0 0 23 -3,-0.7 4,-1.0 2,-0.2 -2,-0.2 0.820 113.2 45.6 -73.1 -34.6 40.9 -26.0 245.0 572 60 C L H X S+ 0 0 2 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.891 115.3 47.5 -74.2 -40.6 38.8 -25.0 247.9 573 61 C N H < S+ 0 0 19 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.813 117.4 42.9 -69.0 -28.4 37.8 -28.6 248.5 574 62 C D H < S+ 0 0 54 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.627 100.0 70.0 -90.1 -17.0 41.5 -29.6 248.2 575 63 C L H < S+ 0 0 22 -4,-1.0 -2,-0.2 -5,-0.1 3,-0.2 0.922 109.3 39.4 -63.2 -41.7 42.6 -26.6 250.3 576 64 C F S < S+ 0 0 21 -4,-1.3 2,-1.0 1,-0.2 -3,-0.0 -0.157 102.0 53.1 -88.5-169.4 41.0 -28.6 253.1 577 65 C M S S+ 0 0 106 1,-0.2 -1,-0.2 2,-0.1 -3,-0.1 0.149 99.2 74.3 66.6 -28.8 41.4 -32.4 253.3 578 66 C K S S+ 0 0 158 -2,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.396 115.7 17.0 -90.6 -0.6 45.1 -31.5 253.1 579 67 C N + 0 0 50 3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.311 68.0 173.1-170.6 71.2 44.8 -30.4 256.7 580 68 C P + 0 0 108 0, 0.0 -4,-0.1 0, 0.0 -2,-0.0 0.359 60.4 91.0 -67.6 5.2 41.7 -31.7 258.4 581 69 C A S S+ 0 0 80 2,-0.0 -2,-0.1 0, 0.0 -5,-0.0 0.908 72.9 51.1 -64.8 -98.3 42.9 -30.3 261.7 582 70 C I + 0 0 80 1,-0.1 2,-0.2 5,-0.0 -3,-0.1 -0.001 67.8 165.4 -43.3 138.5 41.6 -26.7 262.2 583 71 C I + 0 0 120 27,-0.0 4,-0.2 26,-0.0 -1,-0.1 -0.525 22.3 95.7-135.7-156.8 37.9 -26.3 261.8 584 72 C G S >> S- 0 0 35 25,-0.3 3,-1.2 -2,-0.2 4,-0.8 0.616 70.7-111.3 72.4 128.7 35.2 -23.6 262.5 585 73 C H H >> S+ 0 0 87 1,-0.3 3,-0.9 2,-0.2 4,-0.8 0.915 121.2 49.0 -58.5 -42.1 34.1 -21.1 260.0 586 74 C E H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.600 118.3 41.7 -73.2 -9.6 35.8 -18.3 262.0 587 75 C A H <4 S+ 0 0 39 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.334 105.9 63.2-115.9 0.9 38.9 -20.4 262.2 588 76 C R H X< S+ 0 0 8 -3,-0.9 3,-1.2 -4,-0.8 -2,-0.2 0.568 85.7 71.2-100.9 -15.4 38.9 -21.7 258.6 589 77 C Y T 3< S+ 0 0 66 -4,-0.8 3,-0.4 1,-0.3 -1,-0.1 0.334 84.8 71.0 -83.0 7.0 39.4 -18.3 256.9 590 78 C K T 3 S+ 0 0 86 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.427 78.5 79.5 -96.7 -4.6 42.9 -18.3 258.3 591 79 C L S < S+ 0 0 36 -3,-1.2 2,-0.3 2,-0.1 -1,-0.2 0.260 86.1 77.0 -85.3 10.8 43.5 -21.0 255.7 592 80 C F S S- 0 0 22 -3,-0.4 2,-0.7 10,-0.0 4,-0.0 -0.862 85.4-113.1-122.3 156.4 43.8 -18.3 253.0 593 81 C N S > S- 0 0 78 -2,-0.3 4,-0.8 2,-0.1 5,-0.3 -0.795 78.4 -30.7 -92.8 112.2 46.5 -15.8 252.1 594 82 C S H > S- 0 0 36 -2,-0.7 4,-1.3 1,-0.1 5,-0.1 0.341 81.7 -79.7 63.0 158.7 45.5 -12.2 252.9 595 83 C P H > S+ 0 0 70 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.855 122.5 67.0 -59.0 -37.9 41.9 -10.8 252.8 596 84 C T H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.961 102.5 39.5 -48.6 -73.3 42.0 -10.5 249.1 597 85 C L H <>S+ 0 0 2 -4,-0.8 5,-0.5 1,-0.3 -1,-0.2 0.865 115.6 56.7 -47.3 -39.4 42.2 -14.2 248.1 598 86 C L H >X5S+ 0 0 48 -4,-1.3 4,-2.0 -5,-0.3 3,-1.6 0.972 108.4 45.8 -53.8 -56.9 39.7 -14.7 250.9 599 87 C F H 3<5S+ 0 0 70 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.812 117.6 44.5 -56.2 -35.9 37.3 -12.3 249.3 600 88 C L T 3<5S+ 0 0 4 -4,-2.3 22,-0.3 -5,-0.2 -1,-0.3 0.043 129.1 15.2-102.7 27.7 37.8 -13.8 245.8 601 89 C L T <45S+ 0 0 10 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.415 90.3 99.4-161.6 -39.0 37.6 -17.5 246.6 602 90 C S << - 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0 0 83 -3,-1.0 164,-0.3 164,-0.1 2,-0.3 -0.156 47.0-157.5 -93.2-168.9 8.7 -36.4 234.0 785 19 D K - 0 0 43 162,-0.2 2,-0.3 -3,-0.1 162,-0.2 -0.954 14.7-163.1-169.8 151.8 12.5 -36.2 233.8 786 20 D V - 0 0 35 160,-0.4 17,-0.1 -2,-0.3 -2,-0.0 -0.798 35.3-118.1-146.7 98.1 15.3 -34.9 231.6 787 21 D K - 0 0 62 -2,-0.3 158,-0.3 158,-0.2 3,-0.3 -0.056 44.4 -99.0 -39.3 114.7 18.8 -36.3 232.1 788 22 D R - 0 0 73 156,-2.8 2,-0.1 1,-0.2 -1,-0.1 0.080 58.1 -71.1 -37.8 145.7 21.0 -33.5 233.3 789 23 D P > - 0 0 31 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.225 55.5-119.2 -46.7 109.9 23.1 -31.9 230.4 790 24 D K T 3 S- 0 0 97 1,-0.3 3,-0.1 -3,-0.3 -254,-0.1 -0.352 94.3 -3.4 -57.2 121.2 25.8 -34.5 229.6 791 25 D S T 3 S+ 0 0 109 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.865 121.5 96.9 60.7 39.1 29.2 -32.9 230.2 792 26 D G S < S- 0 0 24 -3,-1.8 2,-0.2 -241,-0.0 -1,-0.2 -0.574 71.9 -88.3-135.4-161.4 27.5 -29.6 231.2 793 27 D T - 0 0 40 -250,-0.4 2,-0.1 -2,-0.2 -246,-0.0 -0.682 17.5-131.3-116.1 170.0 26.4 -27.6 234.1 794 28 D L S S+ 0 0 48 -2,-0.2 2,-0.3 -6,-0.1 5,-0.2 -0.463 74.8 73.6-118.7 56.9 23.2 -27.2 236.2 795 29 D S B > S+B 798 0L 23 3,-1.0 3,-1.0 -2,-0.1 -2,-0.1 -0.987 80.6 7.9-161.6 158.9 22.6 -23.5 236.3 796 30 D G T 3> S- 0 0 39 -2,-0.3 4,-0.5 1,-0.2 3,-0.3 -0.418 125.9 -12.8 69.7-140.6 21.5 -20.5 234.1 797 31 D H H 3> S+ 0 0 70 1,-0.2 2,-1.3 2,-0.1 4,-0.6 0.832 134.3 64.6 -63.8 -32.3 20.1 -21.3 230.7 798 32 D A H <4 S+B 795 0L 8 -3,-1.0 -3,-1.0 1,-0.1 -1,-0.2 -0.518 91.5 65.7 -93.0 66.6 21.4 -24.9 231.0 799 33 D A H 4 S+ 0 0 9 -2,-1.3 -2,-0.1 -3,-0.3 -1,-0.1 0.297 116.4 1.1-142.0 -78.3 19.2 -26.0 234.0 800 34 D G H >X S+ 0 0 1 -4,-0.5 4,-1.5 96,-0.2 3,-1.2 0.320 91.5 114.8-105.5 7.1 15.5 -26.2 233.4 801 35 D E H 3X S+ 0 0 48 -4,-0.6 4,-2.7 1,-0.3 3,-0.2 0.868 74.8 56.0 -43.0 -48.9 15.6 -25.2 229.7 802 36 D P H 34 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.900 104.1 54.7 -54.7 -39.4 14.3 -28.7 228.7 803 37 D F H X> S+ 0 0 0 -3,-1.2 4,-2.0 1,-0.2 3,-1.5 0.906 108.6 46.4 -61.5 -41.6 11.4 -28.2 231.0 804 38 D E H 3X S+ 0 0 19 -4,-1.5 4,-1.0 1,-0.3 -1,-0.2 0.900 109.6 54.6 -66.0 -38.6 10.4 -24.9 229.3 805 39 D K H 3< S+ 0 0 63 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.400 109.9 53.6 -73.6 6.1 11.0 -26.7 226.0 806 40 D L H X> S+ 0 0 48 -3,-1.5 3,-3.5 -5,-0.2 4,-0.5 0.849 94.8 57.8-102.2 -63.6 8.4 -29.2 227.5 807 41 D V H 3X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.3 5,-0.3 0.765 97.0 68.3 -37.9 -35.9 5.4 -27.2 228.5 808 42 D Y H 3X S+ 0 0 80 -4,-1.0 4,-0.7 -5,-0.2 -1,-0.3 0.867 98.2 54.3 -56.0 -35.9 5.2 -26.1 224.9 809 43 D K H X> S+ 0 0 55 -3,-3.5 3,-2.0 2,-0.2 4,-1.5 0.995 113.8 32.3 -62.2 -76.5 4.3 -29.7 224.0 810 44 D F H 3X S+ 0 0 41 -4,-0.5 4,-1.6 1,-0.3 5,-0.3 0.868 114.2 60.6 -50.1 -45.3 1.3 -30.5 226.3 811 45 D L H 3X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.3 -1,-0.3 0.775 111.0 42.8 -55.2 -25.5 0.0 -26.9 226.1 812 46 D K H << S+ 0 0 25 -3,-2.0 4,-0.4 -4,-0.7 -1,-0.3 0.732 100.9 69.3 -90.7 -27.7 -0.2 -27.5 222.4 813 47 D E H < S+ 0 0 147 -4,-1.5 3,-0.2 1,-0.2 -2,-0.2 0.861 117.2 24.1 -58.0 -37.2 -1.7 -30.9 222.8 814 48 D N H < S+ 0 0 71 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.637 136.1 35.0-102.8 -20.8 -4.9 -29.3 224.1 815 49 D L >X + 0 0 36 -4,-0.7 4,-2.7 -5,-0.3 3,-2.1 -0.328 65.5 148.1-130.3 50.8 -4.5 -25.9 222.5 816 50 D S T 34 S+ 0 0 71 -4,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.596 77.7 50.4 -61.8 -11.4 -2.9 -26.7 219.1 817 51 D D T 34 S+ 0 0 149 -3,-0.1 -1,-0.3 -5,-0.1 -5,-0.1 0.337 118.7 33.7-108.8 4.4 -4.7 -23.7 217.6 818 52 D L T <4 S+ 0 0 27 -3,-2.1 66,-1.6 -6,-0.1 -2,-0.2 0.632 92.8 94.4-125.6 -35.5 -3.7 -21.1 220.3 819 53 D T < + 0 0 6 -4,-2.7 2,-0.3 -8,-0.2 64,-0.2 -0.372 45.9 156.5 -68.0 138.3 -0.2 -22.1 221.4 820 54 D F - 0 0 44 -2,-0.1 62,-3.7 -3,-0.0 2,-0.3 -0.978 38.4-120.8-154.6 158.9 2.8 -20.4 219.8 821 55 D K > - 0 0 13 -2,-0.3 4,-3.4 60,-0.3 5,-0.4 -0.802 43.4-100.3-102.5 149.1 6.4 -19.6 220.5 822 56 D Q H > S+ 0 0 6 -2,-0.3 4,-1.6 57,-0.3 3,-0.3 0.854 124.9 29.2 -27.1 -73.0 7.5 -15.9 220.5 823 57 D Y H > S+ 0 0 59 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.847 113.7 64.0 -62.7 -40.0 9.0 -16.2 217.0 824 58 D E H > S+ 0 0 47 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.921 106.3 45.5 -52.0 -46.1 6.6 -18.9 215.9 825 59 D Y H X S+ 0 0 16 -4,-3.4 4,-1.2 -3,-0.3 -1,-0.3 0.921 111.2 54.8 -63.8 -41.9 3.8 -16.4 216.3 826 60 D L H >X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.4 3,-1.4 0.965 106.4 48.6 -53.2 -58.9 5.9 -13.9 214.5 827 61 D N H 3X S+ 0 0 13 -4,-3.1 4,-1.4 1,-0.3 -1,-0.2 0.843 108.4 54.7 -51.3 -38.7 6.5 -16.0 211.4 828 62 D D H 3X S+ 0 0 60 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.3 0.792 106.7 55.1 -67.5 -25.1 2.7 -16.8 211.2 829 63 D L H << S+ 0 0 17 -3,-1.4 -2,-0.2 -4,-1.2 -1,-0.2 0.924 111.8 37.3 -76.4 -45.3 2.2 -13.0 211.2 830 64 D F H < S+ 0 0 3 -4,-1.6 6,-0.2 1,-0.2 -1,-0.2 0.674 115.5 57.1 -79.4 -19.0 4.3 -12.1 208.2 831 65 D M H < S+ 0 0 100 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.858 101.3 53.5 -78.0 -39.4 3.3 -15.3 206.4 832 66 D K S < S+ 0 0 159 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.535 116.0 46.0 -71.3 -4.9 -0.4 -14.5 206.5 833 67 D N > + 0 0 55 1,-0.1 3,-0.8 3,-0.1 -1,-0.3 -0.533 64.3 154.4-139.5 69.2 0.6 -11.2 204.9 834 68 D P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.873 71.9 61.3 -64.4 -42.3 3.0 -11.8 202.0 835 69 D A T 3 S+ 0 0 86 1,-0.1 2,-0.9 2,-0.0 -2,-0.0 0.715 87.9 90.1 -60.3 -17.9 2.3 -8.7 200.1 836 70 D I < + 0 0 50 -3,-0.8 2,-0.2 -6,-0.2 -3,-0.1 -0.723 57.8 163.5 -88.7 106.1 3.5 -6.8 203.1 837 71 D I > + 0 0 112 -2,-0.9 4,-0.6 4,-0.0 5,-0.1 -0.723 31.3 50.1-118.2 165.8 7.3 -6.2 202.8 838 72 D G H > S- 0 0 12 25,-0.3 4,-2.5 -2,-0.2 3,-0.2 0.532 84.9 -98.0 77.0 132.0 9.8 -3.8 204.5 839 73 D H H > S+ 0 0 55 1,-0.2 4,-3.1 20,-0.2 5,-0.2 0.903 123.0 59.0 -46.5 -45.0 10.1 -3.5 208.3 840 74 D E H 4 S+ 0 0 66 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.934 110.4 38.6 -49.0 -58.9 7.9 -0.4 208.1 841 75 D A H >< S+ 0 0 40 -4,-0.6 3,-0.8 -3,-0.2 4,-0.2 0.870 116.9 51.5 -62.2 -41.7 4.9 -2.1 206.5 842 76 D R H >< S+ 0 0 15 -4,-2.5 3,-4.2 1,-0.2 4,-0.5 0.959 97.5 62.6 -65.0 -52.4 5.3 -5.3 208.5 843 77 D Y G >< S+ 0 0 46 -4,-3.1 3,-0.7 1,-0.3 -1,-0.2 0.709 95.7 67.8 -47.3 -15.2 5.5 -3.6 211.9 844 78 D K G < S+ 0 0 156 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.723 78.4 75.1 -78.9 -18.8 2.0 -2.5 210.9 845 79 D L G < S+ 0 0 33 -3,-4.2 2,-1.2 -4,-0.2 -1,-0.2 0.734 83.1 76.7 -63.0 -20.4 0.7 -6.1 211.2 846 80 D F S < S- 0 0 8 -3,-0.7 2,-3.1 -4,-0.5 6,-0.2 -0.755 72.8-163.2 -90.9 89.2 0.9 -5.5 214.9 847 81 D N S S+ 0 0 158 -2,-1.2 -1,-0.1 1,-0.1 -3,-0.1 -0.045 71.3 70.7 -69.3 44.7 -2.2 -3.3 215.4 848 82 D S > - 0 0 3 -2,-3.1 4,-3.1 1,-0.1 5,-0.3 -0.718 64.0-158.1-164.8 107.2 -0.7 -2.4 218.8 849 83 D P H > S+ 0 0 72 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.854 101.9 48.5 -53.0 -37.6 2.3 -0.1 219.5 850 84 D T H >> S+ 0 0 0 70,-0.2 4,-1.2 2,-0.2 3,-0.8 0.971 111.5 47.0 -66.4 -56.1 2.6 -1.8 222.9 851 85 D L H >> S+ 0 0 3 1,-0.3 4,-2.9 2,-0.2 3,-1.6 0.942 109.9 53.9 -50.4 -53.4 2.4 -5.4 221.6 852 86 D L H 3X S+ 0 0 45 -4,-3.1 4,-1.6 1,-0.3 -1,-0.3 0.821 103.7 58.7 -52.9 -30.4 4.9 -4.5 218.9 853 87 D F H << S+ 0 0 52 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.813 114.4 35.6 -70.2 -27.8 7.1 -3.3 221.8 854 88 D L H << S+ 0 0 9 -3,-1.6 24,-0.6 -4,-1.2 -2,-0.2 0.862 128.2 29.8 -92.8 -38.3 6.9 -6.8 223.3 855 89 D L H < S+ 0 0 1 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.512 86.9 112.4-104.3 -6.5 6.9 -9.1 220.3 856 90 D S < - 0 0 31 -4,-1.6 3,-0.1 -5,-0.4 -30,-0.0 -0.106 53.5-146.8 -60.8 165.8 8.9 -7.3 217.5 857 91 D R - 0 0 19 1,-0.3 5,-0.2 20,-0.1 4,-0.2 -0.315 50.0 -65.7-136.2 57.7 12.2 -8.6 216.4 858 92 D G > - 0 0 39 3,-0.2 4,-1.8 2,-0.1 -1,-0.3 0.435 45.6-103.3 73.9 140.8 14.6 -5.8 215.4 859 93 D K H > S+ 0 0 138 2,-0.2 4,-0.8 1,-0.2 -20,-0.2 0.885 119.6 46.9 -66.5 -40.2 14.3 -3.4 212.4 860 94 D A H >> S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 3,-1.7 0.987 110.9 50.1 -67.0 -56.3 16.8 -5.2 210.3 861 95 D A H 34 S+ 0 0 34 1,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.873 105.2 56.2 -48.2 -47.3 15.5 -8.7 210.9 862 96 D T H 3< S+ 0 0 0 -4,-1.8 3,-0.4 -5,-0.2 -1,-0.3 0.802 112.3 46.5 -56.3 -27.7 11.9 -7.7 210.0 863 97 D E H << S+ 0 0 77 -3,-1.7 -25,-0.3 -4,-0.8 -2,-0.2 0.956 112.0 45.4 -78.4 -57.9 13.4 -6.5 206.7 864 98 D N S < S+ 0 0 108 -4,-2.2 2,-0.4 2,-0.0 -1,-0.2 0.064 89.3 119.3 -76.3 24.9 15.5 -9.5 205.9 865 99 D W + 0 0 8 -3,-0.4 2,-0.3 -5,-0.2 -27,-0.2 -0.834 35.3 162.7 -96.3 136.7 12.6 -11.7 206.8 866 100 D S B > -C 869 0M 37 3,-0.9 3,-1.5 -2,-0.4 -35,-0.1 -0.914 55.5-112.0-142.6 162.6 11.2 -14.0 204.0 867 101 D I T 3 S+ 0 0 122 -2,-0.3 3,-0.4 1,-0.3 -36,-0.0 0.705 129.9 49.4 -68.4 -17.5 9.1 -17.1 203.8 868 102 D E T 3 S+ 0 0 165 1,-0.2 -1,-0.3 2,-0.0 -3,-0.0 0.327 116.3 42.8-100.3 3.7 12.4 -18.5 202.7 869 103 D N B < S+C 866 0M 90 -3,-1.5 -3,-0.9 2,-0.0 -1,-0.2 -0.383 81.8 179.9-145.8 62.0 14.1 -16.9 205.7 870 104 D L - 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