==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-SEP-10 2XRY . COMPND 2 MOLECULE: DEOXYRIBODIPYRIMIDINE PHOTOLYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR S.KIONTKE,Y.GEISSELBRECHT,R.POKORNY,T.CARELL,A.BATSCHAUER,L. . 458 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19924.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 1 2 0 3 0 2 1 1 3 4 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -4 A L 0 0 109 0, 0.0 50,-0.2 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 140.6 -8.1 10.5 107.8 2 -3 A V - 0 0 43 49,-0.1 46,-0.1 6,-0.1 3,-0.1 -0.850 360.0 -82.9-121.4 160.1 -8.0 12.0 104.3 3 -2 A P > - 0 0 30 0, 0.0 3,-1.2 0, 0.0 48,-0.1 -0.317 56.1 -90.1 -66.6 149.4 -10.5 11.3 101.6 4 -1 A R T 3 S+ 0 0 110 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.354 114.0 17.8 -56.7 130.3 -10.1 8.2 99.4 5 0 A G T 3 S+ 0 0 68 -3,-0.1 -1,-0.3 3,-0.1 0, 0.0 0.784 77.1 137.7 75.4 30.4 -7.8 8.9 96.4 6 1 A S < - 0 0 32 -3,-1.2 -2,-0.1 2,-0.1 3,-0.1 0.520 65.8-127.0 -80.8 -6.0 -6.4 12.1 97.9 7 2 A H + 0 0 138 1,-0.2 2,-0.6 176,-0.0 -3,-0.1 0.783 61.5 140.0 63.4 33.0 -2.9 11.0 96.5 8 3 A M - 0 0 30 35,-0.1 -1,-0.2 36,-0.0 -2,-0.1 -0.932 48.7-142.3-109.1 117.6 -1.2 11.4 99.9 9 4 A N > - 0 0 33 -2,-0.6 3,-2.1 1,-0.1 4,-0.2 -0.716 12.2-144.4 -77.1 120.2 1.3 8.7 100.9 10 5 A P G > S+ 0 0 98 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.647 91.9 75.3 -65.4 -15.4 0.7 8.3 104.7 11 6 A K G 3 S+ 0 0 87 1,-0.2 144,-0.1 3,-0.0 145,-0.1 0.661 85.8 66.0 -71.2 -12.6 4.4 7.7 105.3 12 7 A R G < S+ 0 0 5 -3,-2.1 135,-2.4 134,-0.1 2,-0.4 0.624 95.3 67.8 -80.4 -11.3 4.9 11.5 104.8 13 8 A I E < -A 146 0A 34 -3,-1.3 2,-0.4 133,-0.2 133,-0.2 -0.898 58.9-175.2-117.3 138.7 2.9 12.3 108.0 14 9 A R E -A 145 0A 93 131,-2.8 131,-3.1 -2,-0.4 2,-0.4 -0.993 27.1-121.8-129.3 137.7 3.8 11.6 111.7 15 10 A A E +A 144 0A 58 -2,-0.4 129,-0.3 129,-0.2 3,-0.1 -0.659 25.1 179.2 -78.5 128.9 1.6 12.2 114.8 16 11 A L E S+ 0 0 38 127,-3.1 2,-0.3 -2,-0.4 128,-0.2 0.719 73.3 6.3 -92.3 -34.8 3.2 14.5 117.3 17 12 A K E -A 143 0A 42 126,-1.9 126,-2.4 2,-0.0 -1,-0.4 -0.960 64.7-140.9-152.8 128.3 0.4 14.5 119.8 18 13 A S + 0 0 108 -2,-0.3 2,-0.3 124,-0.2 126,-0.0 -0.584 43.1 140.8 -77.5 155.0 -2.8 12.6 120.0 19 14 A G - 0 0 40 -2,-0.2 2,-0.6 123,-0.0 122,-0.3 -0.924 54.5 -63.6-170.0-165.9 -5.7 14.7 121.2 20 15 A K - 0 0 173 120,-2.7 120,-0.1 -2,-0.3 2,-0.1 -0.908 51.1-122.6-106.1 121.3 -9.4 15.4 120.7 21 16 A Q - 0 0 115 -2,-0.6 96,-0.2 120,-0.2 95,-0.1 -0.332 22.5-147.4 -61.9 132.6 -10.3 16.8 117.4 22 17 A G - 0 0 24 94,-1.9 94,-0.2 93,-0.1 93,-0.1 -0.358 17.8-121.3 -87.9 178.0 -12.1 20.2 117.4 23 18 A D S S+ 0 0 130 92,-0.1 93,-0.2 -2,-0.1 92,-0.1 0.412 80.1 84.0-106.3 4.2 -14.8 21.1 114.8 24 19 A G S S- 0 0 9 90,-1.0 92,-0.3 1,-0.2 91,-0.2 -0.026 87.9 -38.7 -94.1-163.8 -13.1 24.3 113.3 25 20 A P - 0 0 25 0, 0.0 91,-2.6 0, 0.0 92,-0.7 -0.081 53.6-114.6 -60.2 153.0 -10.5 24.9 110.6 26 21 A V E -bc 56 117A 1 29,-2.1 31,-2.4 90,-0.2 2,-0.6 -0.792 34.7-147.8 -78.9 131.4 -7.5 22.7 110.0 27 22 A V E -bc 57 118A 1 90,-2.7 92,-2.5 -2,-0.5 2,-0.8 -0.911 9.5-158.5-109.8 120.0 -4.5 24.9 110.8 28 23 A Y E -bc 58 119A 0 29,-2.8 31,-2.8 -2,-0.6 2,-1.1 -0.894 8.2-155.6 -92.6 108.4 -1.2 24.5 108.9 29 24 A W E -bc 59 120A 3 90,-3.1 92,-0.9 -2,-0.8 2,-0.3 -0.779 18.6-158.1 -80.6 98.1 1.5 26.0 111.0 30 25 A M + 0 0 2 29,-2.2 31,-0.5 -2,-1.1 4,-0.1 -0.613 35.0 138.4 -83.7 138.2 4.0 26.8 108.2 31 26 A S S S+ 0 0 24 -2,-0.3 3,-0.2 29,-0.1 -1,-0.2 0.374 73.3 22.0-143.4 -64.2 7.6 27.1 109.2 32 27 A R S S+ 0 0 19 1,-0.2 2,-0.8 239,-0.0 -2,-0.1 0.728 115.5 60.7 -86.0 -28.1 10.1 25.5 106.9 33 28 A D + 0 0 0 239,-0.1 2,-1.9 2,-0.1 238,-0.3 -0.664 60.3 178.1-113.3 79.3 8.1 25.3 103.7 34 29 A Q + 0 0 14 236,-2.0 2,-0.3 -2,-0.8 197,-0.1 -0.449 47.1 88.4 -86.1 66.1 7.2 28.8 102.6 35 30 A R - 0 0 2 -2,-1.9 7,-0.1 1,-0.1 238,-0.1 -0.990 62.6-144.1-156.3 157.8 5.3 28.1 99.4 36 31 A A S S+ 0 0 10 -2,-0.3 3,-0.4 236,-0.1 2,-0.3 0.714 83.1 65.3 -96.2 -29.6 1.8 27.3 98.2 37 32 A E S S+ 0 0 132 1,-0.2 3,-0.1 148,-0.1 148,-0.1 -0.693 106.9 9.5 -93.9 152.8 2.7 24.9 95.3 38 33 A D S S+ 0 0 26 146,-0.3 2,-0.5 -2,-0.3 -1,-0.2 0.873 86.5 140.7 53.1 46.2 4.4 21.5 95.7 39 34 A N > - 0 0 0 -3,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.905 36.3-169.3-124.8 100.4 3.9 21.5 99.5 40 35 A W H > S+ 0 0 1 -2,-0.5 4,-2.9 108,-0.2 5,-0.2 0.816 88.5 55.5 -62.0 -31.4 2.9 18.2 101.0 41 36 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 112.1 42.3 -66.2 -45.6 2.2 19.7 104.4 42 37 A L H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.908 115.5 50.5 -63.6 -44.1 -0.3 22.2 102.9 43 38 A L H X S+ 0 0 16 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.904 111.8 46.8 -61.3 -44.8 -1.7 19.4 100.6 44 39 A F H X S+ 0 0 20 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.932 112.0 51.6 -62.2 -44.2 -2.2 17.1 103.6 45 40 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.918 110.3 48.4 -59.0 -44.4 -3.8 19.9 105.6 46 41 A R H X S+ 0 0 15 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.881 111.6 50.4 -59.9 -41.8 -6.2 20.7 102.8 47 42 A A H X S+ 0 0 11 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.888 110.8 47.4 -67.5 -41.6 -7.1 16.9 102.5 48 43 A I H X S+ 0 0 10 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.910 112.9 51.2 -63.8 -41.9 -7.8 16.6 106.2 49 44 A A H X>S+ 0 0 0 -4,-2.2 5,-2.1 -5,-0.2 4,-0.5 0.933 109.0 49.6 -59.2 -49.4 -9.9 19.8 106.0 50 45 A K H ><5S+ 0 0 98 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.917 110.9 49.8 -58.0 -43.6 -11.9 18.4 103.1 51 46 A E H 3<5S+ 0 0 95 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.832 115.3 43.8 -64.1 -32.8 -12.5 15.1 104.9 52 47 A A H 3<5S- 0 0 35 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.364 111.8-121.5 -92.0 1.1 -13.7 17.1 108.0 53 48 A N T <<5S+ 0 0 149 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.881 73.8 110.0 56.7 45.8 -15.8 19.6 105.9 54 49 A V S - 0 0 24 -2,-1.0 3,-1.1 36,-0.2 38,-0.2 -0.219 22.9-115.4 -86.2 167.2 9.5 34.7 116.0 64 59 A D T 3 S+ 0 0 99 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.474 105.0 73.5 -76.5 -5.5 11.7 36.5 118.6 65 60 A E T > + 0 0 45 1,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.343 62.7 97.4 -94.1 7.5 14.9 35.0 117.2 66 61 A F G X S+ 0 0 51 -3,-1.1 3,-1.6 1,-0.3 -1,-0.2 0.821 74.4 67.6 -64.8 -27.6 15.0 37.1 114.0 67 62 A L G 3 S+ 0 0 86 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.515 84.8 71.5 -71.4 -3.4 17.4 39.4 115.7 68 63 A E G < S+ 0 0 146 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.575 105.9 34.2 -86.5 -12.0 20.0 36.6 115.8 69 64 A A S < S- 0 0 5 -3,-1.6 2,-0.2 -4,-0.2 333,-0.1 -0.156 93.1 -91.6-117.4-147.5 20.5 37.0 112.0 70 65 A G > - 0 0 3 332,-0.2 4,-2.0 -2,-0.1 3,-0.3 -0.681 31.4 -93.8-127.8-179.1 20.4 40.0 109.7 71 66 A I H > S+ 0 0 16 -2,-0.2 4,-2.9 1,-0.2 5,-0.5 0.887 115.8 68.2 -58.5 -37.6 18.4 42.2 107.4 72 67 A R H > S+ 0 0 11 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.908 108.8 33.1 -56.1 -45.3 19.6 40.0 104.5 73 68 A Q H > S+ 0 0 2 -3,-0.3 4,-2.6 329,-0.2 5,-0.2 0.875 117.4 54.3 -77.4 -38.6 17.6 36.9 105.7 74 69 A Y H X S+ 0 0 16 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.937 112.2 43.1 -62.7 -46.6 14.6 38.8 107.2 75 70 A E H X S+ 0 0 48 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.909 113.5 51.9 -66.6 -41.5 13.9 40.8 104.0 76 71 A F H X S+ 0 0 10 -4,-1.3 4,-1.4 -5,-0.5 -2,-0.2 0.934 115.8 41.4 -59.8 -44.1 14.4 37.7 101.8 77 72 A M H X S+ 0 0 32 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.953 117.1 45.9 -69.9 -50.1 11.9 35.7 104.0 78 73 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.896 109.7 52.7 -68.8 -36.4 9.3 38.5 104.4 79 74 A K H X S+ 0 0 81 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.910 110.4 50.2 -64.4 -37.9 9.3 39.5 100.8 80 75 A G H >X S+ 0 0 7 -4,-1.4 4,-2.3 -5,-0.3 3,-0.5 0.954 108.8 51.8 -57.6 -48.1 8.6 35.9 100.0 81 76 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.833 103.3 58.1 -60.9 -34.4 5.8 35.8 102.5 82 77 A Q H 3X S+ 0 0 59 -4,-2.2 4,-0.9 1,-0.2 -1,-0.3 0.875 110.6 43.1 -62.0 -39.0 4.2 38.9 101.0 83 78 A E H <>S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.2 3,-1.2 0.900 109.1 56.9 -66.6 -40.7 -2.8 31.6 99.2 89 84 A S H ><5S+ 0 0 75 -4,-2.4 3,-1.5 -5,-0.3 -1,-0.2 0.841 101.1 58.4 -58.1 -33.0 -5.6 34.3 98.9 90 85 A R H 3<5S+ 0 0 203 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.730 106.1 48.3 -70.7 -22.4 -6.1 33.2 95.3 91 86 A K T <<5S- 0 0 51 -3,-1.2 98,-2.4 -4,-0.6 -1,-0.3 0.192 120.3-112.5 -93.5 10.8 -6.8 29.7 96.7 92 87 A K T < 5S+ 0 0 90 -3,-1.5 -3,-0.2 1,-0.2 99,-0.2 0.794 75.1 137.3 60.7 31.4 -9.2 31.3 99.2 93 88 A I < - 0 0 1 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.2 -0.917 47.2-141.5-110.4 111.7 -6.8 30.2 102.0 94 89 A P - 0 0 34 0, 0.0 -36,-2.5 0, 0.0 2,-0.4 -0.401 10.8-151.5 -73.8 152.5 -6.3 32.9 104.7 95 90 A S E -d 58 0A 24 -38,-0.2 2,-0.5 -2,-0.1 -36,-0.2 -0.979 5.8-163.3-127.1 134.5 -2.9 33.4 106.2 96 91 A F E -d 59 0A 57 -38,-2.1 -36,-2.5 -2,-0.4 2,-0.7 -0.978 5.0-158.3-120.5 127.6 -2.2 34.8 109.7 97 92 A F E -d 60 0A 42 -2,-0.5 2,-0.4 -38,-0.2 -36,-0.2 -0.923 14.2-161.4-110.5 108.4 1.2 36.1 110.7 98 93 A L E -d 61 0A 29 -38,-2.4 -36,-3.1 -2,-0.7 2,-0.8 -0.789 12.2-137.5 -97.5 132.4 1.6 36.0 114.4 99 94 A R E +d 62 0A 73 -2,-0.4 2,-0.3 -38,-0.2 -36,-0.2 -0.791 69.0 36.3 -96.8 107.9 4.2 38.1 116.2 100 95 A G S S- 0 0 10 -38,-2.2 -2,-0.1 -2,-0.8 0, 0.0 -0.844 97.9 -41.7 143.9-176.9 6.0 36.1 118.9 101 96 A D > - 0 0 39 -2,-0.3 4,-2.2 -38,-0.2 3,-0.4 -0.495 54.3-114.8 -87.0 151.5 7.2 32.6 119.6 102 97 A P H >>S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.8 0.789 103.5 65.7 -59.6 -37.3 5.0 29.6 118.7 103 98 A G H >5S+ 0 0 13 1,-0.2 4,-1.0 2,-0.2 5,-0.2 0.942 115.8 27.3 -52.4 -53.2 4.3 28.2 122.1 104 99 A E H >5S+ 0 0 165 -3,-0.4 4,-1.8 3,-0.1 -1,-0.2 0.933 127.4 44.7 -73.7 -44.6 2.2 31.2 123.2 105 100 A K H X5S+ 0 0 83 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.897 115.4 42.7 -74.9 -42.8 1.0 32.3 119.8 106 101 A I H X5S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.909 114.7 52.2 -70.5 -40.5 0.0 29.0 118.2 107 102 A S H XS+ 0 0 12 -4,-2.6 5,-1.8 1,-0.2 4,-0.3 0.903 115.2 41.3 -55.4 -42.6 -5.8 27.3 118.2 111 106 A K H ><5S+ 0 0 95 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.947 116.4 47.1 -69.6 -50.5 -8.1 28.3 121.1 112 107 A D H 3<5S+ 0 0 96 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.834 119.3 39.2 -62.6 -37.3 -9.3 31.7 119.6 113 108 A Y T 3<5S- 0 0 113 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.281 105.7-123.6-101.5 8.6 -10.1 30.2 116.1 114 109 A N T < 5 - 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0 0 80 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.416 360.0-107.6 -87.6 166.6 0.5 44.2 107.4 197 200 A L H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.820 121.5 61.2 -64.0 -29.2 3.7 42.4 106.5 198 201 A S H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.941 104.9 46.6 -60.6 -45.8 4.9 45.7 105.3 199 202 A D H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.939 113.9 47.8 -61.3 -46.1 4.6 47.2 108.8 200 203 A V H X S+ 0 0 14 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.903 111.5 50.4 -60.9 -45.1 6.3 44.2 110.3 201 204 A L H X S+ 0 0 23 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.930 111.2 49.3 -58.0 -46.7 9.1 44.3 107.8 202 205 A E H X S+ 0 0 104 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.956 114.3 44.1 -56.9 -55.0 9.6 48.1 108.5 203 206 A T H X S+ 0 0 87 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.889 114.5 49.6 -60.7 -42.8 9.7 47.6 112.3 204 207 A G H X S+ 0 0 3 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.908 109.4 50.5 -63.0 -44.8 12.0 44.5 112.1 205 208 A V H X S+ 0 0 27 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.923 106.8 55.5 -61.5 -42.1 14.5 46.2 109.8 206 209 A K H < S+ 0 0 145 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.891 108.6 48.5 -56.6 -39.5 14.6 49.2 112.2 207 210 A A H < S+ 0 0 45 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.812 115.9 43.5 -69.3 -32.9 15.6 46.8 115.0 208 211 A L H >< S+ 0 0 5 -4,-1.7 3,-2.1 -3,-0.2 4,-0.3 0.682 89.7 89.3 -82.5 -22.8 18.3 45.1 112.9 209 212 A L G >< S+ 0 0 88 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.848 80.6 57.5 -51.9 -43.5 19.7 48.3 111.4 210 213 A P G 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.712 109.8 45.6 -63.2 -17.9 22.3 48.9 114.2 211 214 A E G < S+ 0 0 119 -3,-2.1 -2,-0.2 -4,-0.1 -3,-0.1 0.248 82.1 134.6-105.1 11.1 23.9 45.5 113.6 212 215 A R < - 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0 0 60 143,-2.6 3,-0.9 -2,-0.1 -1,-0.1 -0.929 3.6-168.3-109.7 105.7 24.1 43.3 97.8 224 227 A P T 3 + 0 0 68 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.416 70.0 79.7 -82.0 4.3 20.5 42.3 97.5 225 228 A W T 3 S+ 0 0 185 1,-0.2 3,-0.2 3,-0.1 142,-0.1 0.343 71.8 77.4 -93.8 4.2 20.3 41.9 93.8 226 229 A H S < S+ 0 0 78 -3,-0.9 2,-0.4 1,-0.3 -1,-0.2 0.803 105.8 24.8 -78.4 -31.0 21.9 38.4 93.6 227 230 A F - 0 0 22 -3,-0.4 -1,-0.3 140,-0.0 7,-0.1 -0.865 69.7-155.3-141.9 102.6 18.8 36.6 94.7 228 231 A E - 0 0 141 -2,-0.4 -3,-0.1 -3,-0.2 -152,-0.0 -0.619 32.5-122.3 -72.0 128.1 15.3 38.0 94.2 229 232 A P + 0 0 24 0, 0.0 4,-0.3 0, 0.0 3,-0.1 -0.299 56.8 53.5 -75.9 159.4 13.1 36.4 96.8 230 233 A G S > S- 0 0 0 1,-0.1 4,-2.3 -154,-0.1 5,-0.2 -0.139 84.6 -71.3 115.2 165.4 9.9 34.4 96.4 231 234 A E H > S+ 0 0 30 -151,-0.3 4,-1.9 1,-0.2 5,-0.2 0.884 124.1 49.5 -55.3 -46.9 8.2 31.4 94.8 232 235 A K H > S+ 0 0 153 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.941 112.4 46.7 -66.1 -43.2 8.1 33.0 91.3 233 236 A A H > S+ 0 0 7 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.896 108.1 57.1 -62.5 -41.7 11.8 34.0 91.3 234 237 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.918 105.5 50.2 -56.1 -46.7 12.8 30.5 92.6 235 238 A K H X S+ 0 0 46 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.894 109.9 51.0 -58.8 -39.8 11.1 28.8 89.6 236 239 A K H X S+ 0 0 137 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.883 108.9 50.5 -67.8 -35.7 12.9 31.2 87.2 237 240 A V H X S+ 0 0 28 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.927 110.6 49.7 -66.4 -43.6 16.3 30.3 88.9 238 241 A M H X S+ 0 0 11 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.938 113.0 47.3 -57.4 -45.3 15.5 26.6 88.5 239 242 A E H X S+ 0 0 92 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.906 111.7 48.8 -67.1 -41.3 14.6 27.2 84.8 240 243 A S H X>S+ 0 0 50 -4,-2.6 4,-2.9 2,-0.2 5,-0.7 0.875 110.2 53.1 -66.4 -37.7 17.7 29.2 84.2 241 244 A F H X>S+ 0 0 0 -4,-2.5 5,-2.8 3,-0.2 4,-2.0 0.974 112.9 42.7 -56.4 -53.8 19.8 26.5 85.9 242 245 A I H <5S+ 0 0 44 -4,-2.5 5,-0.3 1,-0.2 -2,-0.2 0.925 120.9 42.1 -60.4 -45.3 18.3 23.8 83.6 243 246 A A H <5S+ 0 0 66 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.902 133.5 10.4 -68.7 -42.5 18.6 26.0 80.5 244 247 A D H <5S+ 0 0 108 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.603 129.3 30.9-120.4 -21.7 22.1 27.6 81.0 245 248 A R T >X> S+ 0 0 42 -3,-0.7 4,-2.3 1,-0.2 -1,-0.3 0.433 92.1 95.7 -94.1 -2.5 28.5 22.6 82.6 249 252 A Y H < S+ 0 0 45 -4,-2.3 3,-2.0 1,-0.1 8,-0.2 0.348 80.1 105.4-120.1 5.5 32.6 23.4 86.8 253 256 A R T 3< S+ 0 0 77 -4,-1.9 120,-0.3 1,-0.3 -1,-0.1 0.731 87.5 48.8 -60.5 -23.7 30.8 22.8 90.1 254 257 A N T 3 S+ 0 0 41 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.119 89.7 93.9-103.0 21.7 34.1 23.0 91.9 255 258 A D X - 0 0 26 -3,-2.0 3,-2.2 3,-0.1 5,-0.3 -0.875 53.9-169.1-114.5 98.5 35.3 26.2 90.2 256 259 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 115,-0.1 0.559 84.1 65.6 -64.1 -10.8 34.4 29.3 92.4 257 260 A T T 3 S+ 0 0 18 2,-0.0 2,-0.4 114,-0.0 192,-0.0 0.558 94.2 72.9 -82.4 -9.6 35.3 31.7 89.6 258 261 A K S < S- 0 0 87 -3,-2.2 2,-1.7 -6,-0.2 3,-0.3 -0.897 75.4-140.0-112.4 133.7 32.4 30.3 87.5 259 262 A N + 0 0 105 -2,-0.4 -6,-0.1 1,-0.2 -2,-0.0 -0.592 62.8 122.3 -87.0 72.4 28.7 30.9 88.1 260 263 A M + 0 0 42 -2,-1.7 -1,-0.2 -5,-0.3 -8,-0.1 0.339 37.4 99.9-120.4 6.2 27.6 27.4 87.3 261 264 A L S S- 0 0 21 -3,-0.3 -15,-0.1 -9,-0.1 110,-0.0 -0.358 83.8-110.0 -79.7 171.9 25.8 26.3 90.4 262 265 A S - 0 0 16 -2,-0.1 -21,-0.2 1,-0.1 -1,-0.1 0.835 31.0-146.2 -70.8 -31.5 22.0 26.3 90.6 263 266 A N + 0 0 28 -22,-0.0 4,-0.3 1,-0.0 -1,-0.1 0.721 61.8 124.0 65.8 26.5 21.9 29.2 93.1 264 267 A L > + 0 0 0 1,-0.2 4,-2.8 2,-0.1 3,-0.5 0.624 35.1 95.3 -87.9 -16.6 18.8 27.5 94.5 265 268 A S H > S+ 0 0 29 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.825 82.0 51.1 -53.5 -40.3 20.0 27.2 98.2 266 269 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.947 116.2 43.7 -62.9 -39.7 18.3 30.5 99.5 267 270 A Y H 4>S+ 0 0 4 -3,-0.5 5,-2.2 -4,-0.3 6,-0.9 0.912 115.0 47.7 -70.1 -42.0 15.0 29.4 98.0 268 271 A L H ><5S+ 0 0 19 -4,-2.8 3,-0.8 3,-0.2 -1,-0.2 0.909 107.9 57.0 -66.4 -36.5 15.3 25.8 99.1 269 272 A H H 3<5S+ 0 0 22 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.929 114.5 36.2 -60.4 -46.8 16.3 26.9 102.7 270 273 A F T 3<5S- 0 0 7 -4,-1.8 -236,-2.0 -5,-0.2 -1,-0.3 0.447 113.2-118.5 -83.9 1.5 13.1 28.9 103.1 271 274 A G T < 5 + 0 0 0 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.752 68.9 140.9 61.1 29.8 11.1 26.4 101.2 272 275 A Q S - 0 0 2 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.716 7.5-149.5 -81.1 127.3 10.3 22.2 96.5 275 278 A S H > S+ 0 0 5 -2,-0.4 4,-2.7 -126,-0.4 5,-0.2 0.890 103.5 58.3 -61.7 -35.6 13.5 20.1 96.2 276 279 A Q H > S+ 0 0 2 -128,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 105.9 48.7 -57.3 -40.2 11.1 17.4 94.9 277 280 A R H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.922 110.3 50.1 -63.7 -46.2 10.0 19.8 92.1 278 281 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.924 111.4 49.0 -60.1 -42.0 13.6 20.6 91.2 279 282 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.910 109.4 51.8 -66.7 -42.3 14.4 16.9 91.0 280 283 A L H X S+ 0 0 22 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.912 113.9 44.4 -59.0 -41.8 11.4 16.1 88.8 281 284 A E H X S+ 0 0 56 -4,-2.3 4,-0.6 2,-0.2 3,-0.3 0.927 115.4 46.2 -72.7 -41.6 12.4 18.9 86.4 282 285 A V H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.910 107.8 57.1 -66.6 -39.3 16.1 17.9 86.3 283 286 A E H 3< S+ 0 0 79 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.9 49.2 -59.4 -33.0 15.3 14.2 85.9 284 287 A K H 3< S+ 0 0 128 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.553 94.1 97.6 -80.8 -16.2 13.3 15.1 82.7 285 288 A A << - 0 0 17 -3,-1.3 2,-0.6 -4,-0.6 7,-0.0 -0.478 67.8-139.1 -80.6 148.0 16.1 17.3 81.2 286 289 A E + 0 0 176 -2,-0.1 2,-0.3 3,-0.0 -39,-0.1 -0.950 43.4 150.8-102.0 116.0 18.6 16.1 78.6 287 290 A S - 0 0 25 -2,-0.6 3,-0.1 1,-0.1 5,-0.1 -0.882 52.1 -56.0-140.6 170.0 21.9 17.6 79.6 288 291 A N >> - 0 0 84 -2,-0.3 3,-1.5 1,-0.1 4,-0.7 -0.111 68.7 -94.0 -51.2 139.5 25.6 16.8 79.3 289 292 A P T 34 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -39,-0.0 -0.283 109.6 22.7 -53.5 135.3 26.5 13.3 80.7 290 293 A G T 3> S+ 0 0 46 -3,-0.1 4,-2.1 -40,-0.1 5,-0.2 -0.072 101.2 85.8 102.6 -32.2 27.7 13.6 84.3 291 294 A S H <> S+ 0 0 3 -3,-1.5 4,-2.8 2,-0.2 5,-0.2 0.925 90.1 46.7 -72.7 -44.9 26.1 16.8 85.2 292 295 A K H X S+ 0 0 45 -4,-0.7 4,-2.8 2,-0.2 5,-0.3 0.914 112.5 51.0 -61.2 -44.6 22.7 15.3 86.2 293 296 A K H > S+ 0 0 175 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.931 113.2 45.3 -58.1 -47.7 24.4 12.6 88.3 294 297 A A H X S+ 0 0 18 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.914 115.2 46.6 -66.4 -44.5 26.5 15.2 90.1 295 298 A F H X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.923 112.3 48.6 -64.5 -44.4 23.6 17.6 90.7 296 299 A L H X>S+ 0 0 11 -4,-2.8 4,-2.3 1,-0.2 5,-0.9 0.869 106.0 58.7 -67.4 -31.1 21.2 14.9 91.9 297 300 A D H <>S+ 0 0 32 -4,-1.9 5,-2.3 -5,-0.3 -1,-0.2 0.885 111.0 43.0 -63.9 -34.0 23.8 13.6 94.3 298 301 A E H <>S+ 0 0 67 -4,-1.3 5,-1.9 -3,-0.3 -2,-0.2 0.941 119.7 38.3 -74.2 -48.5 23.9 17.0 95.9 299 302 A I H <5S+ 0 0 11 -4,-2.5 -2,-0.2 3,-0.2 -3,-0.2 0.771 130.4 28.8 -83.8 -21.5 20.2 17.8 96.1 300 303 A L T X5S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.3 5,-0.3 0.871 130.9 26.5 -95.5 -64.3 19.1 14.3 97.0 301 304 A I H >< - 0 0 27 -4,-1.3 3,-1.7 -5,-0.2 -1,-0.2 -0.869 55.9-172.3-124.9 99.7 22.1 13.3 116.3 314 317 A P T 3 S+ 0 0 114 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.830 91.5 51.2 -57.7 -31.4 20.8 15.4 119.1 315 318 A G T > + 0 0 12 1,-0.2 3,-2.2 -3,-0.1 6,-0.6 -0.115 69.3 138.1 -96.3 37.1 24.3 16.9 119.4 316 319 A Y T < S+ 0 0 13 -3,-1.7 -1,-0.2 1,-0.3 101,-0.1 0.645 72.0 49.3 -58.7 -20.8 24.6 17.7 115.7 317 320 A D T 3 S+ 0 0 51 -3,-0.3 2,-0.3 -4,-0.1 -1,-0.3 0.109 104.5 76.0-104.2 19.7 26.3 21.1 116.4 318 321 A G S X S- 0 0 11 -3,-2.2 3,-1.7 1,-0.1 4,-0.3 -0.896 87.2-110.5-131.9 160.4 28.9 19.7 118.8 319 322 A F G > S+ 0 0 27 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.803 108.6 72.4 -53.1 -35.9 32.1 17.8 118.9 320 323 A E G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.728 90.5 59.0 -60.6 -20.5 30.4 14.8 120.4 321 324 A S G < S+ 0 0 15 -3,-1.7 -1,-0.3 -6,-0.6 -2,-0.2 0.598 81.9 105.1 -86.4 -9.7 28.6 14.0 117.1 322 325 A F S < S- 0 0 4 -3,-2.0 100,-0.1 -4,-0.3 96,-0.1 -0.296 86.1 -92.6 -63.5 152.6 31.9 13.6 115.2 323 326 A P >> - 0 0 39 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.336 35.7-109.4 -66.3 157.1 32.9 10.0 114.4 324 327 A S H 3> S+ 0 0 76 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.868 117.0 55.3 -54.3 -44.6 35.1 8.2 116.9 325 328 A W H 3> S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.889 111.5 44.4 -58.0 -37.6 38.2 8.2 114.6 326 329 A A H <> S+ 0 0 0 -3,-0.7 4,-3.1 2,-0.2 5,-0.3 0.884 111.5 51.2 -78.1 -42.2 38.0 12.0 114.2 327 330 A K H X S+ 0 0 60 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.934 113.7 46.1 -56.8 -46.8 37.4 12.7 117.9 328 331 A E H X S+ 0 0 132 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.910 115.3 46.6 -65.0 -41.9 40.4 10.6 118.8 329 332 A S H X S+ 0 0 8 -4,-2.0 4,-0.9 -5,-0.3 -2,-0.2 0.937 113.7 46.4 -65.7 -49.4 42.5 12.2 116.1 330 333 A L H >< S+ 0 0 1 -4,-3.1 3,-0.5 1,-0.2 4,-0.3 0.872 112.1 52.6 -62.7 -37.4 41.5 15.8 117.0 331 334 A N H >< S+ 0 0 80 -4,-2.4 3,-1.2 -5,-0.3 4,-0.3 0.895 103.3 56.9 -64.5 -39.2 42.1 15.0 120.7 332 335 A A H 3< S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.747 114.5 39.7 -62.6 -23.8 45.6 13.7 120.0 333 336 A H T X< S+ 0 0 12 -4,-0.9 3,-1.6 -3,-0.5 -1,-0.3 0.281 81.3 107.7-111.5 9.8 46.5 17.1 118.4 334 337 A R T < S+ 0 0 68 -3,-1.2 -1,-0.1 -4,-0.3 -2,-0.1 0.809 83.0 45.8 -54.9 -36.8 44.7 19.4 120.8 335 338 A N T 3 S+ 0 0 157 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.398 83.1 118.4 -95.8 7.6 47.9 20.7 122.3 336 339 A D S < S- 0 0 32 -3,-1.6 2,-0.2 1,-0.1 -3,-0.1 -0.485 75.6-108.3 -69.0 138.5 49.7 21.2 119.0 337 340 A V - 0 0 138 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.496 33.1-128.8 -70.2 129.5 50.6 24.9 118.5 338 341 A R - 0 0 23 -2,-0.2 47,-0.1 1,-0.1 3,-0.1 -0.572 6.1-132.4 -79.9 147.8 48.5 26.5 115.9 339 342 A S S S+ 0 0 77 45,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.837 90.8 2.5 -69.8 -34.6 50.2 28.5 113.1 340 343 A H - 0 0 77 44,-0.4 2,-0.4 46,-0.1 -1,-0.2 -0.969 60.8-156.6-143.9 154.8 47.7 31.3 113.6 341 344 A I - 0 0 79 -2,-0.3 2,-0.3 -3,-0.1 45,-0.2 -0.959 17.9-170.1-130.6 116.5 44.9 32.1 116.0 342 345 A Y - 0 0 31 43,-2.0 45,-0.2 -2,-0.4 2,-0.2 -0.782 19.3-124.1-104.2 150.3 42.3 34.6 114.9 343 346 A T > - 0 0 77 -2,-0.3 4,-2.5 1,-0.1 3,-0.5 -0.526 32.6-106.6 -80.3 157.8 39.5 36.2 116.9 344 347 A L H > S+ 0 0 71 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.874 123.4 53.6 -48.4 -41.1 35.9 35.9 115.8 345 348 A E H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.856 107.5 49.1 -66.2 -35.1 36.1 39.6 114.7 346 349 A E H 4>S+ 0 0 81 -3,-0.5 5,-2.8 2,-0.2 4,-0.3 0.931 114.5 44.6 -72.7 -46.4 39.2 39.0 112.6 347 350 A F H ><5S+ 0 0 0 -4,-2.5 3,-1.6 3,-0.2 -2,-0.2 0.940 113.2 52.8 -52.9 -49.4 37.6 36.0 110.9 348 351 A E H 3<5S+ 0 0 61 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.862 111.7 43.8 -61.2 -37.8 34.4 38.0 110.5 349 352 A A T 3<5S- 0 0 38 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.352 113.3-113.7 -91.4 6.0 36.1 41.0 108.8 350 353 A G T < 5 + 0 0 10 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.935 68.3 142.6 59.9 49.3 38.3 38.8 106.5 351 354 A K < + 0 0 144 -5,-2.8 -4,-0.1 -6,-0.1 -1,-0.1 -0.121 24.1 120.8-114.2 36.0 41.5 39.9 108.2 352 355 A T S S- 0 0 13 2,-0.2 6,-0.0 -6,-0.2 -12,-0.0 -0.341 75.7-111.0 -83.8 176.4 43.5 36.7 108.1 353 356 A H S S+ 0 0 151 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.435 97.1 88.5 -84.7 -0.3 46.9 36.3 106.4 354 357 A D > - 0 0 16 1,-0.1 4,-2.4 2,-0.0 -2,-0.2 -0.885 60.5-164.9-106.3 107.3 45.3 34.1 103.7 355 358 A P H > S+ 0 0 55 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.783 89.8 54.3 -67.1 -27.1 43.9 36.1 100.8 356 359 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.922 109.9 46.8 -67.4 -44.4 41.8 33.2 99.5 357 360 A W H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.942 113.1 49.6 -59.7 -49.3 40.1 32.8 102.9 358 361 A N H X S+ 0 0 28 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.895 109.5 50.6 -62.1 -41.2 39.5 36.5 103.1 359 362 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.887 109.0 52.4 -60.2 -41.2 38.0 36.6 99.6 360 363 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.923 110.3 47.7 -60.5 -45.1 35.7 33.6 100.6 361 364 A Q H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.878 110.1 52.9 -63.2 -36.6 34.6 35.6 103.6 362 365 A M H X S+ 0 0 47 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.884 106.1 52.7 -69.0 -39.3 34.0 38.7 101.5 363 366 A E H X>S+ 0 0 18 -4,-2.5 4,-2.5 2,-0.2 6,-0.7 0.926 112.2 46.9 -57.1 -44.9 31.8 36.7 99.0 364 367 A L H X5S+ 0 0 0 -4,-1.9 4,-1.9 3,-0.2 -2,-0.2 0.955 114.7 45.8 -61.8 -51.2 29.8 35.6 102.1 365 368 A L H <5S+ 0 0 6 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.889 121.0 37.3 -57.5 -43.4 29.6 39.2 103.5 366 369 A S H <5S+ 0 0 12 -4,-2.7 -143,-2.6 -144,-0.2 -1,-0.2 0.781 132.1 20.4 -86.8 -32.3 28.7 40.8 100.2 367 370 A T H <5S- 0 0 5 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.582 87.0-128.8-115.4 -16.4 26.4 38.2 98.5 368 371 A G S < - 0 0 11 -2,-0.3 4,-1.8 1,-0.1 3,-0.1 -0.227 33.2-120.8 -56.4 139.6 30.6 29.2 96.6 372 375 A G H > S+ 0 0 35 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.859 109.4 52.4 -53.5 -37.8 30.2 25.5 97.8 373 376 A Y H > S+ 0 0 36 -120,-0.3 4,-1.5 1,-0.2 3,-0.4 0.945 110.7 44.9 -68.6 -46.0 33.8 24.7 97.1 374 377 A T H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.768 101.4 68.6 -73.0 -20.0 35.3 27.6 99.1 375 378 A R H X S+ 0 0 50 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.931 101.9 48.0 -59.2 -38.7 32.8 26.8 102.0 376 379 A M H X S+ 0 0 49 -4,-1.2 4,-2.0 -3,-0.4 -2,-0.2 0.945 114.0 45.1 -65.2 -47.8 34.8 23.6 102.5 377 380 A Y H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.921 113.3 51.8 -58.5 -44.7 38.1 25.5 102.4 378 381 A W H X S+ 0 0 3 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.924 111.2 44.4 -60.3 -51.8 36.7 28.3 104.7 379 382 A A H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.889 111.0 54.9 -65.9 -39.7 35.5 26.0 107.4 380 383 A K H X S+ 0 0 9 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.866 105.8 51.4 -65.7 -33.1 38.6 23.9 107.4 381 384 A K H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.839 102.2 60.5 -73.7 -29.5 40.9 26.9 107.9 382 385 A I H < S+ 0 0 0 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.939 106.4 47.7 -60.2 -41.6 38.7 27.9 110.9 383 386 A L H >< S+ 0 0 2 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.935 112.6 49.3 -58.5 -45.7 39.7 24.6 112.5 384 387 A E H 3< S+ 0 0 28 -4,-1.8 -44,-0.4 1,-0.2 -45,-0.4 0.778 117.1 39.7 -65.7 -28.3 43.4 25.2 111.6 385 388 A W T 3< S+ 0 0 16 -4,-1.9 -43,-2.0 -3,-0.2 2,-0.3 -0.051 99.5 88.6-119.7 32.7 43.5 28.7 113.1 386 389 A S S < S- 0 0 1 -3,-1.0 -43,-0.1 -45,-0.2 -46,-0.1 -0.912 81.6-115.4-126.6 155.9 41.4 28.3 116.2 387 390 A E S S- 0 0 139 -2,-0.3 -4,-0.1 -45,-0.2 -1,-0.0 0.764 92.7 -6.6 -60.2 -31.3 42.3 27.3 119.8 388 391 A S S > S- 0 0 26 1,-0.1 4,-2.5 -53,-0.0 5,-0.1 -0.982 72.2-101.4-160.0 162.1 40.3 24.0 119.7 389 392 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.835 120.7 55.7 -63.3 -29.0 37.8 22.1 117.5 390 393 A E H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.919 108.6 46.0 -68.9 -42.5 35.0 23.3 119.8 391 394 A K H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 110.2 54.9 -64.2 -44.0 35.9 26.9 119.2 392 395 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.913 108.4 48.8 -56.2 -45.9 36.2 26.2 115.5 393 396 A L H X S+ 0 0 8 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.939 111.2 49.4 -57.4 -46.5 32.6 24.8 115.4 394 397 A E H X S+ 0 0 120 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.903 114.0 45.4 -61.0 -44.0 31.2 27.8 117.3 395 398 A I H X S+ 0 0 11 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.934 114.4 46.4 -66.6 -50.7 33.0 30.3 115.0 396 399 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.918 115.3 46.8 -61.0 -45.8 32.0 28.6 111.8 397 400 A I H X S+ 0 0 26 -4,-2.8 4,-3.0 -5,-0.3 5,-0.3 0.930 111.6 52.3 -61.1 -45.2 28.4 28.1 112.9 398 401 A C H X S+ 0 0 58 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.931 114.9 39.3 -56.5 -50.0 28.2 31.7 114.1 399 402 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.4 0.919 116.5 50.9 -70.4 -43.1 29.4 33.2 110.8 400 403 A N H X S+ 0 0 5 -4,-2.6 4,-2.4 -5,-0.3 7,-0.3 0.949 114.8 42.8 -56.4 -54.5 27.4 30.7 108.6 401 404 A D H < S+ 0 0 23 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.856 116.8 47.1 -64.0 -37.1 24.2 31.4 110.4 402 405 A R H < S+ 0 0 34 -4,-2.1 -332,-0.2 -5,-0.3 -329,-0.2 0.892 126.5 22.3 -70.7 -42.4 24.7 35.2 110.6 403 406 A Y H < S+ 0 0 13 -4,-2.6 2,-0.4 -5,-0.2 -3,-0.2 0.664 96.4 90.7-109.1 -19.7 25.7 35.8 106.9 404 407 A E >< - 0 0 0 -4,-2.4 3,-1.4 -5,-0.4 -35,-0.2 -0.680 58.8-151.3 -80.7 129.9 24.5 32.9 104.7 405 408 A L T 3 S+ 0 0 2 -37,-2.8 -1,-0.2 -2,-0.4 -36,-0.1 0.837 105.0 47.2 -59.4 -35.2 21.0 33.4 103.2 406 409 A D T 3 S+ 0 0 16 -38,-0.5 -1,-0.2 -137,-0.1 6,-0.2 0.306 95.6 119.3 -88.5 9.4 20.8 29.6 103.3 407 410 A G < + 0 0 1 -3,-1.4 -6,-0.2 -7,-0.3 4,-0.1 0.026 44.4 53.0 -76.8 176.6 22.0 29.4 106.9 408 411 A R S S+ 0 0 74 1,-0.3 -1,-0.1 -11,-0.2 -283,-0.1 0.956 89.9 128.0 60.5 52.8 20.5 28.1 110.1 409 412 A D S >> S- 0 0 7 1,-0.1 4,-1.9 -284,-0.0 3,-1.2 -0.975 77.1-117.1-142.6 143.6 19.9 24.9 108.1 410 413 A P H 3> S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.852 116.4 60.6 -51.5 -37.2 20.6 21.2 108.5 411 414 A N H 3> S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.831 105.6 49.0 -57.1 -35.4 22.9 21.4 105.4 412 415 A G H <> S+ 0 0 11 -3,-1.2 4,-3.0 -6,-0.2 5,-0.3 0.936 111.7 45.4 -70.6 -51.4 25.0 24.0 107.3 413 416 A Y H X S+ 0 0 26 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.942 118.0 44.5 -59.1 -44.4 25.4 22.0 110.5 414 417 A A H X S+ 0 0 4 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.864 114.0 49.6 -68.9 -34.9 26.2 18.9 108.5 415 418 A G H X S+ 0 0 32 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.885 112.7 46.9 -69.7 -40.4 28.6 20.7 106.1 416 419 A I H X S+ 0 0 7 -4,-3.0 4,-2.8 2,-0.2 5,-0.4 0.908 112.5 50.3 -66.6 -39.8 30.4 22.3 109.0 417 420 A A H X S+ 0 0 2 -4,-2.4 6,-1.9 -5,-0.3 4,-1.6 0.852 110.7 49.6 -68.2 -34.4 30.6 18.9 110.8 418 421 A W H X S+ 0 0 31 -4,-2.0 4,-1.3 4,-0.3 -1,-0.2 0.945 115.6 44.7 -61.5 -46.2 31.9 17.3 107.6 419 422 A S H < S+ 0 0 5 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.900 127.9 23.5 -67.1 -49.0 34.5 20.1 107.3 420 423 A I H < S+ 0 0 0 -4,-2.8 -3,-0.2 -5,-0.1 -1,-0.2 0.773 136.0 27.7 -90.4 -31.6 35.7 20.3 110.9 421 424 A G H < S- 0 0 0 -4,-1.6 -3,-0.2 -5,-0.4 -95,-0.2 0.410 96.6-117.0-120.3 1.2 34.9 16.8 112.2 422 425 A G >< + 0 0 0 -4,-1.3 3,-2.4 -5,-0.3 -4,-0.3 0.643 48.3 169.9 69.3 15.5 34.9 14.4 109.3 423 426 A V T 3 S+ 0 0 2 -6,-1.9 -1,-0.2 1,-0.3 3,-0.1 -0.413 75.9 6.8 -57.7 127.0 31.3 13.6 109.6 424 427 A H T 3 S+ 0 0 16 -261,-0.5 -259,-0.4 1,-0.3 -1,-0.3 0.702 120.0 93.8 66.5 21.7 30.4 11.6 106.4 425 428 A D S < S- 0 0 22 -3,-2.4 -1,-0.3 -4,-0.1 2,-0.2 -0.771 70.3-119.4-129.8 175.9 34.1 11.6 105.4 426 429 A R - 0 0 137 -2,-0.2 12,-0.4 -3,-0.1 2,-0.2 -0.673 37.7 -84.5-109.7 170.1 37.0 9.2 105.9 427 430 A A - 0 0 37 -2,-0.2 2,-0.2 10,-0.1 10,-0.2 -0.545 45.6-170.1 -73.5 137.8 40.3 9.5 107.6 428 431 A W - 0 0 88 8,-2.6 3,-0.1 -2,-0.2 10,-0.1 -0.504 43.1 -43.6-115.5-174.4 43.1 11.1 105.6 429 432 A G - 0 0 61 -2,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.275 69.6-105.3 -57.5 134.9 46.9 11.4 106.2 430 433 A E + 0 0 118 6,-0.1 2,-0.3 -3,-0.1 6,-0.2 -0.409 45.5 173.3 -73.5 130.5 47.7 12.5 109.7 431 434 A R B > -G 435 0C 121 4,-1.7 4,-1.1 -2,-0.2 6,-0.1 -0.889 37.8 -93.1-126.3 160.5 48.8 16.1 110.2 432 435 A E T 4 S+ 0 0 127 -2,-0.3 2,-2.5 2,-0.2 -99,-0.1 -0.402 104.9 4.9 -66.4 154.0 49.6 18.3 113.2 433 436 A V T 4 S+ 0 0 13 -100,-0.2 -100,-0.2 1,-0.2 -1,-0.1 -0.400 135.5 46.9 68.3 -62.1 46.6 20.3 114.5 434 437 A T T >4 S- 0 0 6 -2,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.436 86.8-167.8 -90.0 -2.1 44.0 18.9 112.2 435 438 A G B 3< -G 431 0C 0 -4,-1.1 -4,-1.7 1,-0.2 -1,-0.2 -0.212 66.4 -19.0 54.5-132.5 45.0 15.2 112.6 436 439 A K T 3 S+ 0 0 86 -6,-0.2 -8,-2.6 -111,-0.2 -1,-0.2 0.329 99.7 124.8 -93.4 6.0 43.4 12.9 110.1 437 440 A I S < S- 0 0 2 -3,-2.0 -10,-0.1 -10,-0.2 -3,-0.1 -0.484 79.3 -90.5 -65.1 129.6 40.6 15.4 109.0 438 441 A R - 0 0 82 -12,-0.4 2,-0.4 -2,-0.2 -1,-0.1 -0.158 46.9-144.7 -43.5 129.1 40.7 16.0 105.3 439 442 A Y - 0 0 65 -3,-0.1 2,-0.5 -10,-0.1 -1,-0.1 -0.845 13.6-164.0-105.4 139.4 43.0 19.0 104.5 440 443 A M - 0 0 21 -2,-0.4 2,-0.1 -63,-0.1 -2,-0.0 -0.925 17.6-156.2-126.0 103.1 42.5 21.5 101.7 441 444 A S > - 0 0 19 -2,-0.5 4,-1.7 1,-0.1 5,-0.1 -0.420 23.7-126.3 -84.2 156.1 45.7 23.5 101.1 442 445 A Y H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.930 115.0 50.3 -58.6 -48.4 46.0 26.9 99.5 443 446 A E H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 105.7 56.1 -65.0 -36.1 48.4 25.5 96.9 444 447 A G H > S+ 0 0 18 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.871 108.2 49.1 -56.3 -41.6 45.9 22.7 96.1 445 448 A C H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.900 106.7 54.8 -64.3 -42.9 43.3 25.4 95.4 446 449 A K H < S+ 0 0 106 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.860 109.6 48.2 -61.0 -34.3 45.8 27.3 93.1 447 450 A R H < S+ 0 0 197 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.826 114.9 46.5 -69.8 -31.0 46.3 24.1 91.2 448 451 A K H < S- 0 0 111 -4,-1.2 2,-0.3 -3,-0.2 -2,-0.2 0.817 122.3 -4.6 -88.2 -35.7 42.5 23.5 90.9 449 452 A F S < S- 0 0 13 -4,-2.5 2,-1.6 -5,-0.1 3,-0.2 -0.914 86.5 -73.6-151.6 175.0 41.1 26.9 89.8 450 453 A D > + 0 0 90 -2,-0.3 4,-1.9 1,-0.2 3,-0.2 -0.591 47.1 175.1 -81.2 85.3 42.1 30.6 89.2 451 454 A V H > S+ 0 0 3 -2,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.890 75.4 56.8 -58.8 -43.0 42.6 31.7 92.8 452 455 A K H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 107.3 48.8 -58.9 -40.0 43.9 35.2 91.7 453 456 A L H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 110.0 50.7 -66.6 -44.8 40.6 35.8 89.8 454 457 A Y H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.931 112.1 48.4 -57.7 -43.9 38.4 34.7 92.7 455 458 A I H < S+ 0 0 36 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.909 110.6 50.5 -65.8 -41.3 40.4 37.0 95.0 456 459 A E H >< S+ 0 0 140 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.903 106.8 55.6 -61.8 -41.4 40.1 39.9 92.5 457 460 A K H 3< S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.803 114.8 38.9 -59.4 -31.7 36.3 39.4 92.3 458 461 A Y T 3< 0 0 48 -4,-1.2 -1,-0.3 -3,-0.5 -96,-0.2 -0.379 360.0 360.0-124.1 49.2 35.9 39.7 96.1 459 462 A S < 0 0 129 -3,-1.0 -2,-0.2 -97,-0.1 -3,-0.2 0.238 360.0 360.0-161.6 360.0 38.3 42.5 97.1