==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUL-07 2QRG . COMPND 2 MOLECULE: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR G.KIZILIS,K.-M.ALEXACOU,E.D.CHRYSINA,S.E.ZOGRAPHOS, . 810 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 607 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 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 . 0 0.0 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 . 53 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 316 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 3 1 2 6 2 2 2 4 1 1 0 2 0 3 0 0 0 1 0 1 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 2 2 3 2 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 PARALLEL BRIDGES PER LADDER . 0 2 2 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 1 0 0 0 1 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 12 A Q 0 0 200 0, 0.0 2,-0.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -69.8 -2.1 10.9 30.9 2 13 A I > - 0 0 34 1,-0.1 3,-1.4 3,-0.0 93,-0.1 -0.771 360.0-124.9-103.9 147.3 0.7 9.9 28.5 3 14 A S G > S+ 0 0 73 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.830 102.7 59.5 -58.0 -45.7 2.2 6.4 28.1 4 15 A V G 3 S+ 0 0 0 1,-0.3 -1,-0.3 469,-0.2 3,-0.1 0.629 94.3 69.0 -63.9 -13.4 5.9 7.2 28.6 5 16 A R G < S- 0 0 11 -3,-1.4 90,-2.4 1,-0.3 91,-0.3 0.360 105.1-124.3 -89.1 4.7 5.2 8.6 32.1 6 17 A G < - 0 0 15 -3,-1.9 -1,-0.3 88,-0.2 2,-0.2 -0.180 37.8 -37.4 88.6-175.9 4.2 5.1 33.4 7 18 A L - 0 0 150 85,-0.3 89,-0.5 -3,-0.1 2,-0.4 -0.575 32.0-152.6 -88.6 147.3 1.2 3.5 35.2 8 19 A A - 0 0 50 -2,-0.2 2,-0.1 87,-0.2 85,-0.1 -0.666 28.9-173.6-113.8 72.6 -1.0 5.1 37.7 9 20 A G > - 0 0 36 -2,-0.4 4,-2.7 1,-0.1 5,-0.3 -0.375 33.0-121.0 -71.0 145.5 -2.2 2.0 39.6 10 21 A V H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.877 112.8 46.8 -51.4 -47.8 -4.8 2.1 42.3 11 22 A E H > S+ 0 0 159 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 113.4 47.5 -61.6 -48.9 -2.5 0.7 45.0 12 23 A N H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.911 112.7 48.0 -59.4 -47.4 0.4 3.0 44.1 13 24 A V H X S+ 0 0 6 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.904 112.6 49.2 -62.4 -43.8 -1.7 6.1 44.0 14 25 A T H X S+ 0 0 80 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.927 113.6 46.0 -60.8 -47.1 -3.3 5.2 47.4 15 26 A E H X S+ 0 0 88 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.866 111.3 51.9 -65.3 -39.9 0.1 4.6 49.0 16 27 A L H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.891 108.5 52.0 -63.7 -40.7 1.6 7.8 47.6 17 28 A K H X S+ 0 0 58 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.892 111.4 45.8 -62.2 -42.8 -1.2 9.9 49.0 18 29 A K H X S+ 0 0 114 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.870 113.5 48.2 -72.9 -36.3 -0.9 8.5 52.5 19 30 A N H X S+ 0 0 24 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.830 109.4 54.3 -71.1 -33.2 2.9 8.9 52.5 20 31 A F H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.925 111.8 44.5 -60.1 -48.1 2.5 12.4 51.2 21 32 A N H X S+ 0 0 69 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.855 110.8 54.5 -66.3 -36.3 0.2 13.1 54.2 22 33 A R H X>S+ 0 0 96 -4,-2.1 4,-2.9 2,-0.2 5,-0.6 0.927 110.3 45.9 -62.1 -46.0 2.5 11.4 56.6 23 34 A H H X>S+ 0 0 9 -4,-2.3 5,-2.5 1,-0.2 4,-1.1 0.878 108.8 54.9 -67.3 -37.9 5.5 13.6 55.5 24 35 A L H <5S+ 0 0 6 -4,-2.0 6,-2.1 3,-0.2 -1,-0.2 0.869 119.1 35.3 -60.8 -36.2 3.4 16.8 55.7 25 36 A H H X5S+ 0 0 108 -4,-1.5 4,-0.7 4,-0.2 -2,-0.2 0.972 131.0 24.3 -81.4 -62.9 2.5 15.9 59.3 26 37 A F H <5S+ 0 0 147 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.830 130.5 34.9 -79.5 -37.5 5.6 14.2 60.8 27 38 A T T <> - 0 0 75 -2,-0.3 4,-1.5 -3,-0.1 3,-1.4 -0.866 39.2 -99.3-120.5 167.8 -1.4 20.6 58.5 32 43 A R T 34 S+ 0 0 102 -2,-0.3 -7,-0.0 1,-0.3 -8,-0.0 0.640 117.2 66.4 -57.4 -15.6 -3.3 21.4 55.3 33 44 A N T 34 S+ 0 0 140 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.814 115.0 21.5 -78.4 -33.1 -4.6 24.6 57.0 34 45 A V T <4 S+ 0 0 93 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.456 94.3 120.5-114.3 -4.8 -1.2 26.4 57.2 35 46 A A < - 0 0 17 -4,-1.5 -11,-0.0 4,-0.1 -5,-0.0 -0.337 45.9-155.4 -67.6 139.7 0.7 24.6 54.5 36 47 A T >> - 0 0 65 -2,-0.1 4,-2.0 1,-0.0 3,-0.6 -0.642 36.5 -95.2-107.2 167.0 2.1 26.5 51.5 37 48 A P H 3> S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.855 127.0 55.7 -48.9 -37.6 3.0 25.4 48.0 38 49 A R H 3> S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.881 104.6 51.9 -63.7 -40.1 6.7 25.0 49.2 39 50 A D H <> S+ 0 0 20 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.912 109.3 50.7 -60.4 -42.4 5.5 22.7 52.0 40 51 A Y H X S+ 0 0 21 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.890 107.0 53.7 -64.9 -40.0 3.7 20.6 49.4 41 52 A Y H X S+ 0 0 8 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.944 110.5 46.8 -55.3 -50.4 6.8 20.4 47.3 42 53 A F H X S+ 0 0 24 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.869 109.2 53.5 -63.8 -37.9 8.8 19.1 50.2 43 54 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.915 113.2 44.9 -61.4 -42.0 6.1 16.5 51.2 44 55 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.932 111.8 51.7 -66.5 -46.5 6.3 15.2 47.6 45 56 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.911 111.5 46.8 -57.8 -45.4 10.1 15.2 47.5 46 57 A H H X S+ 0 0 36 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.863 111.1 52.9 -64.5 -36.5 10.3 13.2 50.7 47 58 A T H X S+ 0 0 2 -4,-1.7 4,-0.6 -5,-0.2 -2,-0.2 0.920 113.9 41.6 -64.6 -44.3 7.6 10.8 49.4 48 59 A V H >X S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.5 0.902 110.1 58.0 -70.5 -42.0 9.6 10.2 46.2 49 60 A R H >X S+ 0 0 67 -4,-2.7 3,-1.7 1,-0.2 4,-1.1 0.869 96.3 64.2 -53.6 -40.4 12.9 10.0 48.0 50 61 A D H 3X S+ 0 0 48 -4,-1.7 4,-0.6 1,-0.3 3,-0.3 0.835 96.9 57.1 -53.8 -35.8 11.5 7.1 50.1 51 62 A H H << S+ 0 0 56 -3,-1.0 4,-0.5 -4,-0.6 -1,-0.3 0.669 104.2 53.4 -71.3 -18.8 11.3 5.0 47.0 52 63 A L H S+ 0 0 50 -4,-0.5 4,-2.4 2,-0.2 172,-0.4 0.854 112.4 52.9 -64.1 -37.8 17.3 0.5 45.9 56 67 A W H X S+ 0 0 30 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.917 111.2 45.1 -65.7 -46.0 20.2 2.7 47.1 57 68 A I H X S+ 0 0 112 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.918 116.2 45.8 -63.5 -45.1 21.0 0.4 50.0 58 69 A R H X S+ 0 0 94 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.853 109.7 54.1 -72.7 -33.0 20.8 -2.8 47.9 59 70 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.959 111.9 44.7 -59.8 -51.4 22.8 -1.4 45.0 60 71 A Q H X S+ 0 0 46 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.855 113.7 49.0 -66.3 -35.4 25.7 -0.5 47.3 61 72 A Q H X S+ 0 0 109 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.869 107.6 56.9 -69.8 -34.3 25.5 -3.9 49.1 62 73 A H H X S+ 0 0 60 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.901 106.4 48.8 -59.5 -43.9 25.5 -5.6 45.7 63 74 A Y H X S+ 0 0 8 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.856 109.5 52.6 -65.5 -37.1 28.8 -3.8 44.8 64 75 A Y H < S+ 0 0 140 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.895 114.9 41.7 -62.8 -41.0 30.3 -4.9 48.1 65 76 A E H < S+ 0 0 153 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.903 122.2 37.6 -74.0 -45.3 29.3 -8.6 47.4 66 77 A K H < S- 0 0 152 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.710 89.3-153.7 -80.4 -22.7 30.3 -8.7 43.7 67 78 A D < + 0 0 36 -4,-1.9 -3,-0.1 -5,-0.3 -4,-0.1 0.904 24.3 178.3 47.1 56.3 33.4 -6.5 44.1 68 79 A P - 0 0 43 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.314 42.7 -77.3 -78.1 169.0 33.5 -5.1 40.6 69 80 A K - 0 0 47 733,-0.1 73,-0.4 238,-0.1 2,-0.4 -0.504 54.1-135.3 -61.4 131.1 36.0 -2.6 39.3 70 81 A R E -a 309 0A 22 238,-2.7 240,-2.1 -2,-0.2 2,-0.5 -0.763 8.5-146.5 -98.3 139.6 34.9 0.8 40.6 71 82 A I E -ab 310 143A 1 71,-2.4 73,-2.7 -2,-0.4 2,-0.6 -0.916 9.9-163.9-108.6 124.0 34.9 4.0 38.5 72 83 A Y E -ab 311 144A 2 238,-3.2 240,-3.0 -2,-0.5 2,-0.8 -0.929 1.0-164.9-114.0 112.1 35.7 7.3 40.2 73 84 A Y E -ab 312 145A 0 71,-2.8 73,-2.5 -2,-0.6 2,-0.5 -0.853 9.2-163.6-100.2 105.7 34.7 10.4 38.3 74 85 A L E +ab 313 146A 0 238,-2.4 240,-2.1 -2,-0.8 2,-0.3 -0.792 20.7 154.1 -96.4 124.4 36.5 13.4 39.8 75 86 A S - 0 0 0 71,-2.2 73,-0.2 -2,-0.5 240,-0.1 -0.998 45.7-147.2-148.8 144.7 35.2 16.8 39.0 76 87 A L S S+ 0 0 1 238,-0.3 2,-0.4 -2,-0.3 72,-0.2 0.543 92.2 52.1 -83.4 -7.1 35.1 20.3 40.5 77 88 A E + 0 0 12 48,-0.1 2,-0.3 237,-0.1 44,-0.2 -0.995 49.7 169.7-137.5 131.1 31.7 20.8 38.9 78 89 A F E -J 120 0B 4 42,-2.0 2,-1.3 -2,-0.4 42,-0.8 -0.894 14.4-165.5-135.2 105.6 28.4 18.9 38.8 79 90 A Y E +J 119 0B 11 47,-2.1 40,-0.2 -2,-0.3 51,-0.1 -0.685 22.8 161.1 -95.1 86.8 25.6 20.8 37.2 80 91 A M E - 0 0 27 -2,-1.3 -1,-0.2 38,-0.9 39,-0.2 0.753 20.1-166.9 -83.7 -28.8 22.7 18.7 38.4 81 92 A G E -J 118 0B 0 37,-1.6 37,-1.5 2,-0.0 -1,-0.2 -0.408 54.3 -12.2 69.2-151.2 19.7 21.0 38.0 82 93 A R - 0 0 26 35,-0.2 4,-0.2 1,-0.1 35,-0.1 -0.493 54.7-164.1 -81.3 154.2 16.4 19.9 39.7 83 94 A T > + 0 0 23 -2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.670 67.7 77.8-112.6 -24.4 16.1 16.3 41.0 84 95 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.944 100.5 37.3 -60.3 -56.5 12.3 15.7 41.6 85 96 A Q H > S+ 0 0 29 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.907 115.4 55.1 -65.0 -41.4 11.1 15.1 38.1 86 97 A N H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 108.1 49.0 -57.1 -41.4 14.3 13.2 37.1 87 98 A T H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.911 111.6 48.7 -65.5 -43.4 13.8 10.8 40.0 88 99 A M H X>S+ 0 0 0 -4,-1.9 5,-2.8 -5,-0.2 6,-0.7 0.913 111.3 51.0 -62.0 -43.5 10.1 10.2 39.1 89 100 A V H ><5S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.935 112.7 44.6 -58.6 -49.5 11.1 9.6 35.4 90 101 A N H 3<5S+ 0 0 1 -4,-2.3 133,-2.4 1,-0.2 135,-0.3 0.707 117.8 44.4 -72.4 -20.8 13.8 7.0 36.3 91 102 A L H 3<5S- 0 0 16 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.396 109.3-121.0-100.4 -0.3 11.6 5.2 38.8 92 103 A A T <<5S+ 0 0 33 -3,-0.9 -85,-0.3 -4,-0.6 -3,-0.2 0.839 77.9 122.2 60.9 40.1 8.5 5.2 36.5 93 104 A L >< + 0 0 11 -5,-2.8 4,-2.6 -6,-0.2 5,-0.3 0.366 32.7 100.5-110.8 0.9 6.5 7.2 39.1 94 105 A E H > S+ 0 0 0 -6,-0.7 4,-2.1 1,-0.2 -88,-0.2 0.920 86.2 39.8 -61.8 -52.0 5.5 10.3 37.1 95 106 A N H > S+ 0 0 12 -90,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.888 115.9 52.7 -65.2 -39.0 1.9 9.4 36.2 96 107 A A H > S+ 0 0 0 -89,-0.5 4,-2.8 -91,-0.3 -2,-0.2 0.915 112.4 44.0 -61.1 -46.5 1.3 7.9 39.7 97 108 A C H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.849 111.4 54.5 -67.8 -35.5 2.5 11.0 41.5 98 109 A D H X S+ 0 0 38 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.932 113.2 42.7 -62.2 -45.8 0.6 13.3 39.0 99 110 A E H X S+ 0 0 70 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.955 113.7 51.1 -63.1 -52.9 -2.6 11.3 39.9 100 111 A A H X S+ 0 0 3 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.882 114.6 42.7 -53.6 -46.0 -1.9 11.2 43.6 101 112 A T H <>S+ 0 0 1 -4,-2.5 5,-2.8 2,-0.2 3,-0.3 0.867 111.0 55.6 -71.1 -37.3 -1.3 15.0 43.8 102 113 A Y H ><5S+ 0 0 167 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.895 107.0 50.5 -59.8 -41.6 -4.3 15.7 41.6 103 114 A Q H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.713 106.8 55.2 -69.2 -23.1 -6.5 13.8 44.0 104 115 A L T 3<5S- 0 0 25 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.405 124.8-106.3 -86.3 -0.4 -5.1 15.9 46.8 105 116 A G T < 5S+ 0 0 62 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.774 80.2 123.8 80.6 29.5 -6.1 19.0 44.9 106 117 A L < - 0 0 27 -5,-2.8 2,-0.7 -8,-0.1 -1,-0.3 -0.910 59.9-132.1-124.9 149.8 -2.6 20.0 43.8 107 118 A D >> - 0 0 84 -2,-0.3 4,-1.6 1,-0.1 3,-0.7 -0.898 13.7-157.7 -99.8 114.4 -0.9 20.6 40.5 108 119 A M H 3> S+ 0 0 1 -2,-0.7 4,-2.2 1,-0.2 -1,-0.1 0.808 90.5 57.9 -62.9 -33.8 2.4 18.7 40.4 109 120 A E H 3> S+ 0 0 80 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.814 105.4 51.2 -67.1 -31.5 3.9 21.0 37.7 110 121 A E H <4 S+ 0 0 107 -3,-0.7 4,-0.3 2,-0.2 3,-0.2 0.890 110.3 49.5 -68.4 -41.8 3.4 24.0 40.1 111 122 A L H >X S+ 0 0 1 -4,-1.6 3,-1.3 1,-0.2 4,-0.5 0.871 105.3 57.5 -64.3 -39.5 5.2 22.0 42.8 112 123 A E H >< S+ 0 0 16 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.820 97.5 62.2 -61.1 -33.3 8.1 21.1 40.5 113 124 A E T 3< S+ 0 0 81 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.615 92.4 66.7 -70.1 -13.6 8.8 24.9 39.9 114 125 A I T <4 S+ 0 0 34 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.805 77.6 98.7 -77.6 -31.2 9.6 25.4 43.6 115 126 A E S << S- 0 0 14 -3,-0.8 2,-0.2 -4,-0.5 -33,-0.1 -0.299 72.8-128.7 -61.9 136.2 12.7 23.3 43.6 116 127 A E - 0 0 71 55,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.602 25.3-109.4 -78.4 144.7 16.0 25.1 43.4 117 128 A D - 0 0 12 -2,-0.2 2,-1.3 -35,-0.1 -35,-0.2 -0.527 20.5-127.4 -63.3 139.6 18.6 24.1 40.8 118 129 A A E -J 81 0B 13 -37,-1.5 -37,-1.6 -2,-0.2 -38,-0.9 -0.802 36.1-177.5 -83.5 92.2 21.6 22.4 42.1 119 130 A G E +J 79 0B 1 -2,-1.3 35,-2.8 -40,-0.2 2,-0.5 -0.345 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264 A Q H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 108.0 56.8 -58.4 -38.4 38.1 35.4 67.8 249 265 A A H < S+ 0 0 11 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.886 109.5 44.6 -61.3 -40.8 39.5 31.8 67.6 250 266 A V H >< S+ 0 0 58 -4,-1.8 3,-1.3 -3,-0.3 4,-0.2 0.908 113.6 50.6 -68.6 -41.5 36.0 30.4 67.2 251 267 A L H >< S+ 0 0 88 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.847 101.4 63.2 -64.7 -33.1 35.1 33.1 64.6 252 268 A D T >< S+ 0 0 46 -4,-2.4 3,-1.5 1,-0.3 4,-0.5 0.512 75.4 89.1 -73.3 -5.0 38.3 32.3 62.7 253 269 A R T X> S+ 0 0 42 -3,-1.3 4,-1.8 1,-0.3 3,-0.8 0.792 73.3 74.5 -58.7 -26.6 37.0 28.8 61.9 254 270 A N H <> S+ 0 0 78 -3,-1.4 4,-1.6 1,-0.2 -1,-0.3 0.786 83.1 66.3 -54.6 -33.1 35.5 30.5 58.9 255 271 A L H <4 S+ 0 0 106 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.891 106.8 39.0 -59.1 -44.1 38.9 30.6 57.3 256 272 A A H X4 S+ 0 0 8 -3,-0.8 3,-1.2 -4,-0.5 -1,-0.2 0.885 115.6 52.5 -70.4 -40.9 39.2 26.8 57.0 257 273 A E H >< S+ 0 0 32 -4,-1.8 3,-1.0 1,-0.3 -22,-0.3 0.656 88.1 80.8 -78.0 -14.3 35.5 26.4 56.1 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119.0 54.2-116.0 -9.6 39.8 -2.6 40.9 309 333 A V E < +a 70 0A 2 -4,-1.5 2,-0.4 -240,-0.2 -238,-0.2 -0.993 48.3 179.2-136.5 130.3 40.0 1.2 40.5 310 334 A A E -a 71 0A 5 -240,-2.1 -238,-3.2 -2,-0.4 2,-0.5 -1.000 11.1-163.6-124.2 130.6 39.7 3.6 37.7 311 335 A I E -ag 72 348A 1 36,-2.7 38,-2.0 -2,-0.4 2,-0.6 -0.960 3.0-163.2-114.6 117.4 40.1 7.4 38.3 312 336 A Q E -ag 73 349A 0 -240,-3.0 -238,-2.4 -2,-0.5 2,-0.7 -0.887 9.3-148.5-101.2 122.7 38.8 9.7 35.5 313 337 A L E -ag 74 350A 0 36,-2.9 38,-2.1 -2,-0.6 2,-1.3 -0.821 6.8-145.3 -93.6 114.7 40.1 13.3 35.7 314 338 A N E > S- g 0 351A 0 -240,-2.1 3,-0.5 -2,-0.7 -238,-0.3 -0.677 72.2 -46.1 -80.4 92.8 37.5 15.9 34.4 315 339 A D T 3 S- 0 0 4 36,-1.5 36,-0.2 -2,-1.3 37,-0.1 -0.248 94.9 -56.9 63.2-163.7 40.1 18.2 32.9 316 340 A T T > S+ 0 0 2 1,-0.2 3,-2.5 2,-0.1 4,-0.2 0.475 109.7 100.3 -87.4 -1.9 43.2 19.2 34.9 317 341 A H T < S+ 0 0 24 -3,-0.5 3,-0.3 1,-0.3 -1,-0.2 0.873 92.9 33.7 -56.5 -41.0 41.2 20.6 37.8 318 342 A P T > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 0.083 82.8 123.6 -96.7 27.5 41.7 17.4 39.9 319 343 A S T X + 0 0 0 -3,-2.5 3,-1.8 1,-0.3 -2,-0.1 0.721 55.8 77.4 -59.3 -24.3 45.2 16.8 38.4 320 344 A L T 3> S+ 0 0 0 -3,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.629 72.9 83.4 -63.4 -11.6 46.7 16.7 41.9 321 345 A A H <> S+ 0 0 0 -3,-2.1 4,-2.4 2,-0.2 -1,-0.3 0.836 85.4 58.3 -55.3 -35.4 45.3 13.1 42.1 322 346 A I H <> S+ 0 0 0 -3,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.982 113.2 32.8 -64.6 -61.1 48.5 12.0 40.3 323 347 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.824 118.1 56.8 -66.5 -28.0 51.1 13.3 42.8 324 348 A E H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.920 107.1 47.7 -65.7 -43.4 48.7 12.6 45.7 325 349 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.924 113.2 48.9 -61.6 -43.6 48.4 9.0 44.8 326 350 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 5,-0.4 0.920 109.6 53.1 -59.5 -44.7 52.2 8.8 44.4 327 351 A R H X>S+ 0 0 27 -4,-2.6 4,-2.4 2,-0.2 5,-0.8 0.925 112.0 43.8 -55.6 -50.3 52.6 10.5 47.8 328 352 A V H X>S+ 0 0 11 -4,-2.4 5,-2.3 3,-0.2 4,-1.1 0.926 117.1 45.2 -63.7 -46.5 50.3 7.9 49.6 329 353 A L H <5S+ 0 0 0 -4,-2.6 6,-3.0 3,-0.2 -2,-0.2 0.874 124.7 32.0 -67.0 -38.3 51.9 4.9 47.8 330 354 A V H <5S+ 0 0 28 -4,-2.8 4,-0.3 4,-0.2 -3,-0.2 0.939 128.5 32.3 -85.0 -53.7 55.5 6.0 48.4 331 355 A D H <5S+ 0 0 16 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.842 133.7 23.0 -77.2 -35.9 55.4 7.9 51.7 332 356 A L T < - 0 0 99 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.443 33.5-111.3 -69.4 151.4 59.1 1.8 45.6 337 361 A W H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 113.8 51.7 -50.3 -52.4 58.8 4.7 43.1 338 362 A D H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.866 112.9 44.7 -57.9 -42.0 58.7 2.5 40.0 339 363 A K H > S+ 0 0 36 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.920 113.0 50.7 -68.3 -45.5 55.9 0.3 41.3 340 364 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.892 111.0 49.8 -57.7 -42.5 53.9 3.2 42.6 341 365 A W H X S+ 0 0 61 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.887 107.9 52.8 -65.1 -42.7 54.2 5.0 39.2 342 366 A E H X S+ 0 0 98 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.918 112.2 45.8 -56.6 -46.9 53.1 1.9 37.3 343 367 A V H X S+ 0 0 1 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.919 112.8 50.5 -63.0 -45.1 50.0 1.7 39.5 344 368 A T H >X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-0.6 0.931 110.9 47.3 -60.9 -49.3 49.3 5.4 39.2 345 369 A V H 3< S+ 0 0 26 -4,-2.7 81,-1.1 1,-0.2 -1,-0.2 0.921 113.1 48.4 -60.7 -45.3 49.5 5.5 35.4 346 370 A K H 3< S+ 0 0 95 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.674 115.4 46.3 -69.8 -19.2 47.3 2.4 35.0 347 371 A T H << S+ 0 0 1 -4,-1.1 -36,-2.7 -3,-0.6 2,-0.3 0.836 103.3 69.2 -88.8 -39.5 44.7 3.9 37.4 348 372 A C E < +g 311 0A 0 -4,-2.3 78,-2.1 76,-0.3 79,-0.5 -0.592 50.8 177.3 -94.2 142.8 44.4 7.4 36.0 349 373 A A E -gh 312 427A 2 -38,-2.0 -36,-2.9 -2,-0.3 2,-0.4 -0.989 16.1-144.9-138.6 150.4 43.0 8.8 32.8 350 374 A Y E -gh 313 428A 0 77,-2.6 79,-2.1 -2,-0.3 2,-0.5 -0.943 6.1-162.3-125.4 128.3 42.6 12.4 31.6 351 375 A T E -gh 314 429A 0 -38,-2.1 -36,-1.5 -2,-0.4 2,-0.4 -0.949 11.5-153.5-108.2 122.4 40.0 14.1 29.6 352 376 A N - 0 0 0 77,-2.5 79,-0.2 -2,-0.5 3,-0.1 -0.812 13.2-179.7 -92.4 135.6 40.9 17.5 28.0 353 377 A H + 0 0 24 -2,-0.4 296,-0.3 1,-0.2 2,-0.3 0.366 58.9 27.8-117.1 -0.3 37.9 19.8 27.4 354 378 A T - 0 0 8 295,-0.1 -1,-0.2 294,-0.1 294,-0.1 -0.988 39.5-163.5-163.4 149.7 39.5 23.0 25.8 355 379 A V + 0 0 26 292,-0.3 5,-0.1 -2,-0.3 -1,-0.1 0.374 55.0 123.1-113.3 -2.4 42.4 24.3 23.7 356 380 A L >> - 0 0 5 291,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.489 60.8-140.1 -64.6 122.1 42.0 28.0 24.6 357 381 A P G >4 S+ 0 0 82 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.828 98.8 56.0 -54.7 -39.2 45.3 29.1 26.1 358 382 A E G 34 S+ 0 0 47 1,-0.2 -88,-2.9 -90,-0.1 -2,-0.1 0.558 103.7 56.2 -73.3 -8.6 43.7 31.2 28.8 359 383 A A G <4 S+ 0 0 8 -3,-1.9 2,-0.3 -90,-0.3 -1,-0.2 0.560 83.2 103.2 -96.4 -12.7 41.8 28.2 30.1 360 384 A L S << S- 0 0 26 -3,-1.0 2,-0.6 -4,-0.5 -90,-0.1 -0.555 75.5-120.0 -80.4 133.6 44.8 26.0 30.7 361 385 A E + 0 0 5 -2,-0.3 56,-2.0 -92,-0.0 57,-0.5 -0.617 37.9 165.6 -79.9 118.2 46.0 25.5 34.3 362 386 A R E -N 416 0F 83 -2,-0.6 54,-0.2 54,-0.2 -90,-0.1 -0.890 21.2-157.4-132.2 97.9 49.5 26.7 34.9 363 387 A W E -N 415 0F 0 52,-1.6 52,-2.6 -2,-0.4 5,-0.0 -0.654 20.8-114.6 -86.6 128.4 50.2 27.0 38.6 364 388 A P E >> -N 414 0F 11 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.332 20.4-133.2 -55.2 133.5 53.0 29.3 40.0 365 389 A V H 3> S+ 0 0 9 48,-2.7 4,-2.8 1,-0.2 5,-0.2 0.872 103.5 61.8 -58.5 -39.5 55.7 27.2 41.7 366 390 A H H 3> S+ 0 0 103 47,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.794 102.0 51.9 -60.7 -31.5 55.7 29.5 44.7 367 391 A L H <> S+ 0 0 26 -3,-0.8 4,-2.5 2,-0.2 5,-0.3 0.914 113.2 42.8 -68.3 -45.4 52.1 28.7 45.4 368 392 A L H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 8,-0.3 0.845 109.4 59.7 -69.3 -35.1 52.7 24.9 45.4 369 393 A E H < S+ 0 0 112 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.899 114.9 34.0 -57.0 -45.3 55.9 25.4 47.4 370 394 A T H < S+ 0 0 85 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.914 127.8 35.1 -78.7 -46.8 54.0 27.0 50.3 371 395 A L H < S+ 0 0 0 -4,-2.5 -179,-2.3 1,-0.2 -3,-0.2 0.876 134.6 15.8 -80.4 -40.0 50.7 25.1 50.1 372 396 A L X + 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 -0.550 65.7 165.0-138.2 67.0 51.9 21.6 49.1 373 397 A P H > S+ 0 0 18 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.817 79.0 49.2 -60.3 -36.2 55.7 21.3 49.5 374 398 A R H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.877 109.0 53.0 -70.1 -38.8 55.7 17.4 49.2 375 399 A H H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 105.9 53.7 -63.9 -39.7 53.6 17.5 46.0 376 400 A L H X S+ 0 0 6 -4,-1.9 4,-2.4 -8,-0.3 -1,-0.2 0.929 108.4 50.0 -58.9 -46.5 56.0 19.9 44.4 377 401 A Q H X S+ 0 0 65 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.904 111.6 48.1 -57.6 -44.8 58.9 17.6 45.2 378 402 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.900 110.0 52.3 -64.7 -40.6 57.0 14.7 43.7 379 403 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.902 108.2 51.3 -61.7 -42.4 56.2 16.7 40.6 380 404 A Y H X S+ 0 0 78 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.912 111.1 48.0 -59.5 -43.2 59.9 17.6 40.1 381 405 A E H X S+ 0 0 57 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.882 110.7 50.5 -66.3 -41.2 60.8 13.9 40.3 382 406 A I H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.938 111.3 50.0 -58.8 -47.3 58.0 13.0 37.8 383 407 A N H X S+ 0 0 17 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.894 109.6 49.6 -59.1 -46.1 59.4 15.7 35.5 384 408 A Q H X S+ 0 0 109 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.936 114.1 44.3 -60.5 -49.3 63.0 14.5 35.7 385 409 A R H X S+ 0 0 95 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.862 114.8 49.9 -65.8 -37.3 62.1 10.8 35.0 386 410 A F H X S+ 0 0 12 -4,-2.4 4,-1.9 -5,-0.2 3,-0.4 0.932 110.4 48.5 -65.1 -47.8 59.7 11.9 32.1 387 411 A L H X S+ 0 0 31 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.811 105.5 59.0 -66.2 -29.9 62.3 14.1 30.5 388 412 A N H X S+ 0 0 100 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.862 107.0 48.5 -62.2 -36.2 64.9 11.3 30.7 389 413 A R H X S+ 0 0 126 -4,-1.2 4,-1.7 -3,-0.4 -2,-0.2 0.897 111.6 48.2 -67.1 -43.5 62.5 9.2 28.6 390 414 A V H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.922 110.4 52.0 -62.9 -45.2 62.0 12.0 26.1 391 415 A A H < S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 109.8 49.1 -61.8 -36.3 65.8 12.5 25.8 392 416 A A H < S+ 0 0 79 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 115.2 44.3 -71.0 -35.0 66.3 8.8 25.2 393 417 A A H < S+ 0 0 55 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.827 127.8 26.5 -79.1 -34.5 63.6 8.7 22.5 394 418 A F S >< S- 0 0 53 -4,-2.6 3,-1.8 -5,-0.1 -1,-0.2 -0.616 85.7-158.7-130.2 71.0 64.7 12.0 20.7 395 419 A P T 3 S+ 0 0 106 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.252 74.1 7.6 -61.2 132.2 68.4 12.3 21.4 396 420 A G T 3 S+ 0 0 74 1,-0.2 2,-1.9 -5,-0.1 3,-0.2 0.323 85.9 128.7 83.7 -6.8 69.8 15.9 21.1 397 421 A D <> + 0 0 54 -3,-1.8 4,-1.4 1,-0.2 3,-0.2 -0.570 26.7 167.0 -82.6 79.5 66.4 17.5 20.6 398 422 A V H > + 0 0 110 -2,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.802 69.6 55.2 -67.6 -33.1 66.9 20.1 23.3 399 423 A D H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.856 103.3 55.7 -70.4 -34.3 63.9 22.3 22.3 400 424 A R H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 103.8 56.0 -60.8 -42.7 61.5 19.3 22.6 401 425 A L H X S+ 0 0 50 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.903 110.6 43.1 -55.1 -45.5 62.8 18.9 26.2 402 426 A R H < S+ 0 0 172 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.842 114.7 50.5 -72.1 -32.2 61.8 22.5 27.1 403 427 A R H < S+ 0 0 83 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.858 115.6 41.7 -69.5 -36.7 58.5 22.2 25.2 404 428 A M H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.585 86.5 118.7 -91.0 -12.4 57.5 19.0 27.0 405 429 A S < - 0 0 12 -4,-1.0 11,-0.1 -5,-0.2 14,-0.1 -0.192 62.4-141.0 -57.4 143.4 58.7 19.9 30.5 406 430 A L S S+ 0 0 0 -27,-0.1 10,-3.1 13,-0.1 2,-0.6 0.742 91.4 70.9 -72.5 -24.4 56.1 19.9 33.3 407 431 A V E S-O 415 0F 8 8,-0.2 2,-0.5 -27,-0.1 8,-0.2 -0.854 73.1-157.9 -98.8 121.5 58.0 23.0 34.6 408 432 A E E -O 414 0F 55 6,-3.3 6,-2.1 -2,-0.6 2,-0.2 -0.870 9.5-146.5 -99.5 126.7 57.7 26.2 32.5 409 433 A E + 0 0 140 -2,-0.5 2,-0.3 4,-0.2 3,-0.1 -0.585 45.7 90.5 -89.8 155.2 60.5 28.8 32.9 410 434 A G S S- 0 0 58 -2,-0.2 3,-0.2 1,-0.2 -2,-0.0 -0.981 91.7 -23.9 160.9-154.0 59.9 32.6 32.7 411 435 A A S S+ 0 0 115 -2,-0.3 2,-0.4 1,-0.3 -1,-0.2 0.972 139.6 14.8 -50.4 -60.2 59.1 35.6 34.9 412 436 A V S S- 0 0 63 -3,-0.1 -1,-0.3 -47,-0.0 2,-0.2 -0.972 90.6-121.9-114.9 133.2 57.5 33.1 37.4 413 437 A K - 0 0 91 -2,-0.4 -48,-2.7 -3,-0.2 -47,-0.4 -0.527 37.0-171.8 -69.2 138.9 58.1 29.4 37.1 414 438 A R E -NO 364 408F 68 -6,-2.1 -6,-3.3 -50,-0.3 2,-0.5 -0.927 24.9-126.2-132.2 156.3 54.9 27.5 36.6 415 439 A I E -NO 363 407F 0 -52,-2.6 -52,-1.6 -2,-0.3 2,-0.9 -0.926 21.3-139.9-101.3 124.0 53.7 23.8 36.5 416 440 A N E > -N 362 0F 12 -10,-3.1 4,-1.7 -2,-0.5 -54,-0.2 -0.760 13.8-165.7 -83.1 107.4 51.8 22.9 33.4 417 441 A M H > S+ 0 0 0 -56,-2.0 4,-2.2 -2,-0.9 -1,-0.2 0.783 84.1 58.6 -70.0 -27.9 49.0 20.7 34.8 418 442 A A H > S+ 0 0 3 -57,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.902 106.1 49.2 -65.7 -40.7 48.1 19.3 31.3 419 443 A H H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.900 109.7 52.3 -64.2 -41.0 51.6 18.0 30.9 420 444 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.916 109.8 49.5 -57.8 -46.4 51.4 16.4 34.4 421 445 A C H < S+ 0 0 0 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.877 110.4 48.4 -63.2 -42.4 48.2 14.7 33.4 422 446 A I H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.938 112.3 49.6 -64.7 -46.8 49.5 13.2 30.1 423 447 A A H 3< S+ 0 0 5 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.870 117.5 40.0 -57.2 -40.4 52.6 11.9 31.8 424 448 A G T 3< S+ 0 0 0 -4,-1.9 2,-0.3 -5,-0.2 -76,-0.3 0.186 102.8 78.5-102.8 15.4 50.7 10.2 34.6 425 449 A S < - 0 0 0 -3,-1.1 -76,-0.2 -4,-0.3 -79,-0.2 -0.940 62.1-148.4-123.4 147.4 47.7 8.8 32.7 426 450 A H S S+ 0 0 61 -78,-2.1 2,-0.3 -81,-1.1 -77,-0.2 0.589 89.6 35.0 -85.1 -13.4 47.3 5.7 30.5 427 451 A A E -h 349 0A 0 -79,-0.5 -77,-2.6 -82,-0.2 2,-0.4 -0.997 59.8-174.1-144.5 139.1 44.7 7.4 28.4 428 452 A V E -hi 350 455A 0 26,-3.0 28,-2.9 -2,-0.3 2,-0.4 -1.000 16.7-178.2-131.0 126.0 44.1 11.0 27.2 429 453 A N E -hi 351 456A 0 -79,-2.1 -77,-2.5 -2,-0.4 28,-0.2 -0.955 20.8-147.0-130.2 149.3 41.0 11.9 25.3 430 454 A G E - i 0 457A 0 26,-1.5 28,-1.9 -2,-0.4 -77,-0.1 -0.519 28.1-120.7 -96.2 178.1 39.4 14.9 23.6 431 455 A V S S+ 0 0 2 -79,-0.2 29,-2.5 -2,-0.2 2,-0.3 0.298 87.4 23.9-114.3 5.3 35.6 15.4 23.5 432 456 A A S > S- 0 0 0 27,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.934 83.2-106.9-162.9 154.3 34.8 15.5 19.8 433 457 A R H > S+ 0 0 90 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.892 119.0 46.3 -53.6 -47.7 36.6 14.1 16.7 434 458 A I H > S+ 0 0 40 236,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.874 114.9 48.1 -62.4 -38.7 37.9 17.5 15.5 435 459 A H H > S+ 0 0 5 214,-0.4 4,-2.1 -3,-0.2 -2,-0.2 0.928 110.0 50.6 -69.1 -47.1 39.1 18.5 19.0 436 460 A S H X S+ 0 0 5 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.851 111.8 49.2 -60.2 -35.8 40.9 15.2 19.6 437 461 A E H X S+ 0 0 69 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.896 107.6 53.8 -68.8 -41.6 42.6 15.6 16.2 438 462 A I H X S+ 0 0 28 -4,-2.1 4,-2.4 1,-0.2 5,-0.4 0.872 105.3 55.5 -58.3 -39.4 43.6 19.2 17.1 439 463 A L H <>S+ 0 0 2 -4,-2.1 5,-1.9 1,-0.2 -1,-0.2 0.898 110.9 43.4 -59.9 -42.6 45.2 17.8 20.3 440 464 A K H <5S+ 0 0 49 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.754 119.8 42.3 -76.0 -25.7 47.4 15.4 18.3 441 465 A K H <5S+ 0 0 136 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.737 129.2 7.3 -93.7 -27.8 48.3 18.0 15.6 442 466 A T T ><5S+ 0 0 81 -4,-2.4 3,-1.8 -5,-0.2 4,-0.3 0.563 123.2 23.8-120.3 -93.9 48.9 21.1 17.8 443 467 A I T 3 5S+ 0 0 63 -5,-0.4 3,-0.2 1,-0.3 -4,-0.1 0.749 133.3 28.4 -62.9 -30.9 49.1 21.5 21.6 444 468 A F T 3> S+ 0 0 91 -3,-1.8 4,-2.0 1,-0.2 5,-0.2 0.886 74.9 51.8 -53.0 -46.3 51.8 17.0 19.3 446 470 A D H > S+ 0 0 21 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.871 111.6 47.3 -59.7 -39.4 55.1 16.3 21.1 447 471 A F H > S+ 0 0 2 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.860 109.1 53.2 -72.5 -39.1 53.3 13.9 23.6 448 472 A Y H < S+ 0 0 84 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.867 107.4 52.9 -61.4 -38.5 51.5 12.1 20.8 449 473 A E H < S+ 0 0 71 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.867 114.4 41.9 -66.5 -36.1 54.8 11.5 19.0 450 474 A L H < S+ 0 0 28 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.901 134.9 14.5 -75.2 -45.0 56.2 9.9 22.2 451 475 A E >< + 0 0 17 -4,-2.8 3,-1.5 1,-0.1 4,-0.4 -0.603 65.1 165.0-135.8 73.4 53.2 7.9 23.3 452 476 A P G > S+ 0 0 64 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.812 73.7 66.0 -60.9 -32.1 50.7 7.6 20.4 453 477 A H G 3 S+ 0 0 137 1,-0.3 -5,-0.1 -5,-0.0 -2,-0.0 0.668 91.9 64.7 -63.1 -20.6 48.7 4.8 22.1 454 478 A K G < S+ 0 0 5 -3,-1.5 -26,-3.0 -7,-0.2 2,-0.4 0.766 83.3 90.5 -73.8 -27.8 47.7 7.1 24.9 455 479 A F E < +i 428 0A 22 -3,-1.2 2,-0.3 -4,-0.4 -26,-0.2 -0.604 50.0 155.7 -91.4 126.4 45.5 9.4 22.6 456 480 A Q E -i 429 0A 49 -28,-2.9 -26,-1.5 -2,-0.4 2,-0.4 -0.832 33.8-127.0-135.9 167.0 41.8 8.7 22.1 457 481 A N E +i 430 0A 49 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.966 18.5 176.3-116.3 140.8 38.6 10.4 21.1 458 482 A K - 0 0 1 -28,-1.9 334,-0.1 -2,-0.4 2,-0.1 -0.766 24.7-144.7-139.0 93.0 35.3 10.2 23.1 459 483 A T - 0 0 3 -2,-0.3 -27,-0.3 1,-0.1 -28,-0.1 -0.353 26.3-111.7 -61.3 132.6 32.7 12.4 21.5 460 484 A N - 0 0 10 -29,-2.5 2,-0.3 191,-0.1 -1,-0.1 -0.001 37.1-176.0 -58.2 166.0 30.4 14.0 24.1 461 485 A G - 0 0 1 328,-0.1 2,-0.3 330,-0.1 327,-0.3 -0.929 18.4-129.8-153.2 176.5 26.7 13.2 24.6 462 486 A I B -p 788 0G 3 325,-2.5 327,-2.0 -2,-0.3 328,-0.3 -0.943 32.7-102.3-130.7 153.5 23.6 14.2 26.6 463 487 A T > - 0 0 0 -2,-0.3 4,-2.3 325,-0.2 5,-0.1 -0.639 19.0-152.5 -79.4 126.2 21.2 12.1 28.6 464 488 A P H >>S+ 0 0 1 0, 0.0 5,-1.9 0, 0.0 4,-0.5 0.616 90.9 67.2 -73.7 -8.7 17.9 11.4 26.7 465 489 A R H >4>S+ 0 0 0 3,-0.2 5,-2.8 2,-0.2 3,-0.6 0.988 114.0 24.5 -69.6 -63.9 16.1 11.1 30.0 466 490 A R H 34>S+ 0 0 9 1,-0.2 5,-1.2 3,-0.2 -1,-0.1 0.917 127.5 49.3 -63.1 -42.2 16.5 14.7 31.1 467 491 A W H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.325 130.5 6.8 -94.1 8.6 16.9 16.1 27.6 468 492 A L T S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 -469,-0.2 0.832 75.5 61.1 -61.8 -32.6 7.1 14.6 27.0 474 498 A G H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.902 109.2 40.7 -59.3 -45.4 4.9 15.5 24.0 475 499 A L H > S+ 0 0 4 -3,-0.3 4,-1.9 2,-0.2 5,-0.2 0.912 113.4 54.1 -69.0 -43.8 7.7 14.6 21.6 476 500 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -8,-0.3 -2,-0.2 0.884 110.1 49.2 -55.7 -39.4 8.7 11.6 23.6 477 501 A E H X S+ 0 0 27 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.920 108.1 49.5 -70.4 -47.2 5.1 10.3 23.3 478 502 A I H X S+ 0 0 9 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.826 114.6 47.8 -64.6 -30.4 4.6 10.8 19.6 479 503 A I H >X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 3,-1.1 0.938 110.2 51.1 -69.9 -48.4 7.9 8.9 19.0 480 504 A A H 3X S+ 0 0 13 -4,-2.3 4,-2.2 1,-0.3 -2,-0.2 0.838 101.3 63.3 -58.1 -36.4 6.9 6.1 21.4 481 505 A E H 3< S+ 0 0 117 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.828 114.0 32.9 -56.6 -34.3 3.5 5.7 19.6 482 506 A R H << S+ 0 0 55 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.875 136.0 17.4 -91.3 -44.6 5.4 4.7 16.4 483 507 A I H < S- 0 0 24 -4,-2.4 3,-0.3 1,-0.3 -3,-0.2 0.323 100.2-119.4-119.1 6.9 8.5 2.8 17.7 484 508 A G < - 0 0 33 -4,-2.2 -1,-0.3 -5,-0.3 3,-0.3 -0.276 39.2 -67.9 82.0-170.4 7.8 1.9 21.3 485 509 A E S > S+ 0 0 70 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.528 101.4 94.0 -99.9 -9.1 9.7 2.9 24.4 486 510 A E G > S+ 0 0 95 -3,-0.3 3,-1.2 1,-0.3 4,-0.2 0.713 71.2 73.6 -62.5 -22.5 13.1 1.1 24.0 487 511 A Y G > S+ 0 0 1 -3,-0.3 3,-0.6 1,-0.2 -1,-0.3 0.709 78.2 75.9 -64.7 -22.1 14.8 4.1 22.4 488 512 A I G < S+ 0 0 0 -3,-1.8 -1,-0.2 1,-0.3 3,-0.2 0.806 112.9 23.6 -63.9 -29.6 14.9 5.9 25.8 489 513 A S G < S+ 0 0 17 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.196 132.7 44.1-115.3 12.4 17.8 3.7 26.8 490 514 A D X + 0 0 63 -3,-0.6 3,-2.2 -4,-0.2 -1,-0.2 -0.504 66.3 176.6-152.5 71.2 18.9 2.9 23.2 491 515 A L G > + 0 0 6 1,-0.3 3,-2.0 -3,-0.2 294,-0.2 0.668 69.5 77.7 -62.7 -19.8 18.8 6.2 21.4 492 516 A D G > S+ 0 0 86 1,-0.3 3,-1.7 293,-0.3 -1,-0.3 0.732 78.4 76.1 -58.2 -22.6 20.1 4.6 18.1 493 517 A Q G X S+ 0 0 35 -3,-2.2 3,-1.9 1,-0.3 -1,-0.3 0.663 71.4 82.8 -65.2 -15.8 16.6 3.3 17.6 494 518 A L G X S+ 0 0 0 -3,-2.0 3,-2.2 1,-0.3 -1,-0.3 0.718 70.9 79.5 -59.7 -21.2 15.5 6.8 16.6 495 519 A R G X S+ 0 0 112 -3,-1.7 3,-1.8 1,-0.3 -1,-0.3 0.773 76.8 73.0 -56.5 -26.4 16.8 5.9 13.1 496 520 A K G X S+ 0 0 103 -3,-1.9 3,-1.2 1,-0.3 -1,-0.3 0.715 81.0 72.2 -60.7 -21.4 13.5 4.0 12.7 497 521 A L G X S+ 0 0 2 -3,-2.2 3,-1.9 1,-0.2 -1,-0.3 0.648 75.9 79.5 -70.6 -16.0 11.9 7.5 12.3 498 522 A L G X S+ 0 0 64 -3,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.804 85.3 61.3 -58.5 -30.4 13.4 7.9 8.9 499 523 A S G < S+ 0 0 97 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.484 101.8 53.9 -75.3 -1.6 10.7 5.6 7.6 500 524 A Y G X S+ 0 0 56 -3,-1.9 3,-1.4 1,-0.1 -1,-0.2 0.299 72.8 102.6-113.2 6.8 8.1 8.2 8.8 501 525 A V T < S+ 0 0 14 -3,-1.1 -2,-0.1 1,-0.3 -1,-0.1 0.741 92.2 38.0 -64.9 -23.6 9.6 11.3 6.9 502 526 A D T 3 S+ 0 0 105 -4,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.281 89.1 116.5-107.3 6.5 6.8 11.0 4.3 503 527 A D <> - 0 0 56 -3,-1.4 4,-2.4 1,-0.2 5,-0.2 -0.695 53.9-156.7 -80.8 116.6 4.1 10.0 6.8 504 528 A E H > S+ 0 0 101 -2,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.824 90.8 51.1 -66.3 -36.3 1.5 12.8 6.9 505 529 A A H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 112.2 46.9 -66.0 -45.0 0.2 12.0 10.4 506 530 A F H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.902 109.3 53.1 -65.3 -44.2 3.8 12.1 11.8 507 531 A I H X S+ 0 0 12 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.918 111.9 47.5 -53.9 -45.3 4.7 15.4 10.1 508 532 A R H X S+ 0 0 162 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.906 112.3 48.5 -62.8 -44.8 1.5 16.9 11.6 509 533 A D H X S+ 0 0 37 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.877 109.8 51.0 -67.2 -40.6 2.3 15.6 15.1 510 534 A V H X S+ 0 0 8 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.942 114.0 44.4 -61.8 -47.1 5.9 16.8 15.1 511 535 A A H X S+ 0 0 42 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.842 112.2 53.3 -65.9 -35.6 4.8 20.3 14.1 512 536 A K H X S+ 0 0 84 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.912 107.5 50.3 -64.8 -45.4 1.9 20.2 16.6 513 537 A V H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.902 111.2 49.3 -61.0 -42.9 4.3 19.3 19.5 514 538 A K H X S+ 0 0 23 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.926 110.6 49.7 -62.1 -46.5 6.6 22.2 18.6 515 539 A Q H X S+ 0 0 63 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.901 110.5 50.7 -59.3 -42.5 3.8 24.7 18.4 516 540 A E H X S+ 0 0 100 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.896 110.4 49.3 -61.4 -42.9 2.5 23.6 21.8 517 541 A N H X S+ 0 0 28 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.897 111.2 49.7 -63.1 -41.6 6.0 24.0 23.3 518 542 A K H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.875 111.1 49.3 -64.8 -40.0 6.3 27.5 21.8 519 543 A L H X S+ 0 0 94 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.926 111.5 49.1 -64.0 -45.8 2.8 28.4 23.2 520 544 A K H X S+ 0 0 134 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.897 113.2 46.4 -61.3 -42.9 3.8 27.2 26.6 521 545 A F H X S+ 0 0 5 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.869 109.5 53.3 -69.8 -37.6 7.1 29.1 26.6 522 546 A A H X S+ 0 0 7 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.833 110.7 48.8 -63.1 -33.6 5.5 32.3 25.4 523 547 A A H X S+ 0 0 48 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.856 107.5 54.3 -72.8 -38.8 3.0 32.0 28.3 524 548 A Y H X S+ 0 0 25 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.863 107.4 51.9 -61.0 -38.5 5.9 31.4 30.7 525 549 A L H X S+ 0 0 6 -4,-1.9 4,-1.6 2,-0.2 6,-1.4 0.879 110.9 45.8 -67.8 -41.5 7.6 34.6 29.5 526 550 A E H X S+ 0 0 89 -4,-1.4 4,-1.1 4,-0.3 -2,-0.2 0.905 115.6 47.1 -66.2 -43.5 4.4 36.7 30.1 527 551 A R H < S+ 0 0 161 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.926 124.8 26.4 -65.5 -49.0 3.7 35.2 33.5 528 552 A E H < S+ 0 0 98 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.647 139.4 19.4 -94.5 -18.0 7.2 35.5 35.0 529 553 A Y H < S- 0 0 78 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.358 89.2-127.0-135.3 1.8 8.7 38.5 33.1 530 554 A K < + 0 0 159 -4,-1.1 2,-0.4 -5,-0.2 -4,-0.3 0.722 60.9 143.2 53.3 27.1 5.7 40.4 31.6 531 555 A V - 0 0 51 -6,-1.4 2,-0.5 -9,-0.1 -1,-0.2 -0.810 41.4-143.3-100.2 137.7 7.3 40.1 28.1 532 556 A H + 0 0 124 -2,-0.4 2,-0.3 -3,-0.1 -9,-0.1 -0.864 22.1 172.7-107.5 127.9 5.1 39.6 25.0 533 557 A I - 0 0 15 -2,-0.5 -7,-0.1 -11,-0.2 45,-0.1 -0.964 35.4-114.3-132.8 150.9 6.2 37.5 22.0 534 558 A N > - 0 0 34 -2,-0.3 3,-1.5 1,-0.1 83,-0.1 -0.743 18.3-160.2 -82.7 112.7 4.5 36.2 18.8 535 559 A P T 3 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.589 89.1 64.0 -70.6 -10.2 4.3 32.4 18.9 536 560 A N T 3 S+ 0 0 117 2,-0.1 2,-0.1 -18,-0.1 -2,-0.0 0.493 87.2 93.6 -88.3 -5.6 3.9 32.3 15.1 537 561 A S S < S- 0 0 1 -3,-1.5 2,-0.5 1,-0.1 40,-0.3 -0.401 91.6 -91.5 -84.0 161.8 7.4 33.7 14.6 538 562 A L E -q 577 0H 0 38,-3.0 40,-2.9 -2,-0.1 2,-1.0 -0.641 37.8-135.3 -72.6 121.5 10.6 31.7 14.1 539 563 A F E -q 578 0H 0 -2,-0.5 99,-2.5 38,-0.2 98,-2.1 -0.730 23.7-172.1 -85.2 103.4 12.2 31.1 17.5 540 564 A D E -qr 579 638H 0 38,-2.8 40,-3.4 -2,-1.0 2,-0.4 -0.875 12.1-174.2-104.9 109.5 15.9 31.9 16.9 541 565 A V E +qr 580 639H 0 97,-2.6 99,-2.2 -2,-0.7 2,-0.4 -0.915 26.6 173.2-123.8 127.8 17.8 30.9 20.1 542 566 A Q E +q 581 0H 1 38,-2.7 40,-1.9 -2,-0.4 2,-0.5 -0.893 18.3 165.7-127.4 101.4 21.4 31.2 21.3 543 567 A V E +q 582 0H 0 -2,-0.4 2,-0.3 38,-0.2 40,-0.2 -0.978 25.4 97.3-121.5 124.4 21.7 30.0 24.9 544 568 A K S S- 0 0 4 38,-1.9 80,-0.1 -2,-0.5 38,-0.1 -0.910 78.8 -52.4 174.4 166.7 25.2 29.4 26.4 545 569 A R - 0 0 15 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.256 63.4-104.7 -57.6 146.8 27.7 31.2 28.6 546 570 A I + 0 0 4 38,-2.4 40,-0.4 5,-0.1 2,-0.3 -0.672 60.2 145.3 -78.1 120.4 28.7 34.6 27.3 547 571 A H >>> - 0 0 7 -2,-0.5 3,-0.7 1,-0.1 5,-0.6 -0.979 56.8-123.3-154.1 145.0 32.2 34.4 25.7 548 572 A E G >45S+ 0 0 35 -2,-0.3 3,-1.2 1,-0.2 5,-0.2 0.882 111.9 56.4 -54.7 -40.3 34.0 36.1 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