==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-AUG-06 2J07 . COMPND 2 MOLECULE: DEOXYRIBODIPYRIMIDINE PHOTO-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.KLAR,G.KAISER,U.HENNECKE,T.CARELL,A.BATSCHAUER,L.-O.ESSEN . 419 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 16 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 1 1 2 0 0 4 0 3 1 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 56 0, 0.0 86,-0.2 0, 0.0 85,-0.1 0.000 360.0 360.0 360.0 131.1 51.8 12.9 5.6 2 3 A P - 0 0 24 0, 0.0 86,-2.8 0, 0.0 87,-0.6 -0.254 360.0-121.2 -72.9 168.5 49.0 12.5 8.2 3 4 A L E -ab 28 89A 4 24,-2.5 26,-2.0 84,-0.2 2,-0.4 -0.932 25.5-130.9-103.5 138.7 48.2 14.9 11.0 4 5 A L E -ab 29 90A 0 85,-2.7 87,-2.9 -2,-0.4 2,-0.7 -0.733 11.7-158.0 -89.8 131.6 48.3 13.4 14.5 5 6 A V E -ab 30 91A 0 24,-2.6 26,-2.6 -2,-0.4 2,-0.8 -0.934 11.4-158.7-105.9 109.1 45.3 14.1 16.8 6 7 A W E -a 31 0A 4 85,-2.8 87,-0.4 -2,-0.7 2,-0.4 -0.839 5.6-159.8 -97.2 106.6 46.6 13.6 20.4 7 8 A H E +a 32 0A 1 24,-2.7 26,-0.5 -2,-0.8 4,-0.1 -0.775 23.6 154.5 -83.9 131.7 43.7 12.9 22.8 8 9 A R S S- 0 0 20 -2,-0.4 2,-1.6 24,-0.1 -1,-0.1 0.253 77.1 -6.3-118.5-111.0 44.2 13.5 26.5 9 10 A G S S+ 0 0 47 1,-0.2 -2,-0.0 84,-0.1 210,-0.0 -0.334 122.3 80.4 -83.2 56.4 41.3 14.2 28.9 10 11 A D + 0 0 10 -2,-1.6 2,-2.2 209,-0.1 208,-0.2 -0.318 52.7 166.6-156.7 57.6 39.1 14.4 25.8 11 12 A L + 0 0 3 206,-1.9 2,-0.3 -3,-0.1 167,-0.2 -0.470 48.1 87.1 -80.8 66.2 38.4 10.8 25.0 12 13 A R - 0 0 8 -2,-2.2 208,-0.1 1,-0.1 207,-0.1 -0.987 65.5-142.8-153.1 166.4 35.5 11.5 22.5 13 14 A L S > S+ 0 0 1 -2,-0.3 3,-0.6 206,-0.2 -1,-0.1 0.746 77.9 86.0-104.2 -31.6 34.8 12.3 18.9 14 15 A H T 3 S+ 0 0 6 1,-0.2 210,-0.1 205,-0.2 -2,-0.0 -0.367 101.6 2.0 -70.5 145.7 31.9 14.9 19.4 15 16 A D T 3 S+ 0 0 0 134,-2.3 -1,-0.2 1,-0.2 208,-0.1 0.815 85.8 149.6 46.0 60.6 32.8 18.5 19.9 16 17 A H <> - 0 0 0 -3,-0.6 4,-2.2 134,-0.3 5,-0.2 -0.901 29.5-170.5-128.4 92.5 36.5 18.1 19.6 17 18 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.834 86.2 50.5 -53.3 -41.9 38.3 21.2 18.2 18 19 A A H > S+ 0 0 0 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.896 109.3 50.8 -64.1 -46.1 41.7 19.4 17.7 19 20 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.966 116.7 40.2 -55.1 -50.1 40.2 16.5 15.8 20 21 A L H X S+ 0 0 40 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.871 110.7 56.3 -70.4 -42.6 38.3 18.7 13.4 21 22 A E H < S+ 0 0 102 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.922 115.0 41.7 -52.1 -42.7 41.1 21.3 13.0 22 23 A A H >X S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.2 4,-1.1 0.922 111.5 52.4 -70.7 -47.8 43.3 18.4 11.9 23 24 A L H 3< S+ 0 0 42 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.837 102.0 61.1 -61.2 -36.0 40.8 16.6 9.7 24 25 A A T 3< S+ 0 0 92 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.762 108.6 44.9 -62.5 -22.3 40.0 19.8 7.8 25 26 A R T <4 S- 0 0 180 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.640 125.8 -58.6 -92.1 -23.1 43.7 19.8 6.7 26 27 A G S < S- 0 0 24 -4,-1.1 -1,-0.3 -3,-0.3 -23,-0.0 -0.977 80.5 -22.4 168.2-172.8 44.2 16.2 5.8 27 28 A P - 0 0 74 0, 0.0 -24,-2.5 0, 0.0 2,-0.3 -0.299 61.7-152.6 -61.3 146.8 44.2 12.5 6.8 28 29 A V E -a 3 0A 3 -26,-0.2 38,-0.4 128,-0.1 2,-0.4 -0.916 20.2-164.8-123.1 155.4 44.4 12.0 10.6 29 30 A V E -a 4 0A 4 -26,-2.0 -24,-2.6 -2,-0.3 38,-0.2 -0.999 24.0-138.0-130.4 134.4 45.7 9.3 13.0 30 31 A G E -ac 5 67A 0 36,-2.7 38,-2.8 -2,-0.4 2,-0.3 -0.490 18.6-163.9 -87.7 157.3 44.6 9.6 16.7 31 32 A L E -ac 6 68A 0 -26,-2.6 -24,-2.7 36,-0.2 2,-0.4 -0.987 13.8-173.1-142.4 137.0 47.0 9.0 19.6 32 33 A V E -ac 7 69A 1 36,-2.1 38,-2.4 -2,-0.3 2,-0.6 -0.988 13.8-153.3-118.9 134.9 46.6 8.3 23.2 33 34 A V E - c 0 70A 10 -26,-0.5 2,-1.0 -2,-0.4 38,-0.2 -0.959 11.0-143.1-107.3 120.5 49.7 8.2 25.5 34 35 A L E - c 0 71A 1 36,-3.2 38,-2.9 -2,-0.6 3,-0.0 -0.714 30.4-164.8 -78.2 97.1 49.4 6.1 28.6 35 36 A D >> - 0 0 4 -2,-1.0 4,-1.9 36,-0.2 3,-1.9 -0.819 24.2-145.4-101.6 122.9 51.5 8.4 30.8 36 37 A P H 3> S+ 0 0 48 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.822 97.9 69.3 -60.5 -23.5 52.9 7.2 34.1 37 38 A N H 34 S+ 0 0 93 1,-0.2 36,-0.0 2,-0.2 -3,-0.0 0.799 115.5 25.6 -64.4 -26.0 52.4 10.7 35.6 38 39 A N H <4 S+ 0 0 86 -3,-1.9 -1,-0.2 1,-0.1 -4,-0.0 0.603 121.0 56.7-104.4 -19.4 48.6 10.1 35.3 39 40 A L H < S+ 0 0 6 -4,-1.9 2,-1.8 1,-0.1 -2,-0.2 0.502 76.7 88.3 -99.9 -6.8 48.5 6.3 35.6 40 41 A K S < S+ 0 0 176 -4,-1.5 2,-0.2 -5,-0.2 -1,-0.1 -0.679 75.4 99.2 -85.6 71.8 50.3 5.8 38.8 41 42 A T S S- 0 0 30 -2,-1.8 -2,-0.1 1,-0.1 295,-0.0 -0.734 82.9 -46.3-142.2-172.1 47.0 6.1 40.6 42 43 A T >> - 0 0 34 -2,-0.2 4,-2.5 294,-0.1 3,-0.6 -0.275 51.3-113.5 -70.0 154.3 44.4 3.6 42.0 43 44 A P H 3> S+ 0 0 78 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.876 115.2 56.6 -53.3 -45.2 43.2 0.5 40.0 44 45 A R H 3> S+ 0 0 33 125,-0.2 4,-2.0 1,-0.2 5,-0.1 0.890 112.4 41.3 -53.3 -41.5 39.7 1.9 39.7 45 46 A R H <> S+ 0 0 54 -3,-0.6 4,-2.2 291,-0.3 5,-0.2 0.844 112.8 52.5 -78.8 -35.2 40.9 5.1 38.0 46 47 A R H X S+ 0 0 54 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.946 114.1 44.9 -62.5 -48.0 43.5 3.4 35.8 47 48 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.887 109.4 53.7 -66.2 -40.5 40.8 1.0 34.6 48 49 A W H X S+ 0 0 2 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.933 114.5 42.6 -59.0 -45.1 38.2 3.8 34.1 49 50 A F H X S+ 0 0 38 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.967 115.6 48.7 -64.5 -52.9 40.7 5.7 31.9 50 51 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.873 110.8 50.1 -51.7 -47.1 41.9 2.5 30.0 51 52 A E H X S+ 0 0 38 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.841 109.8 50.1 -69.3 -32.2 38.4 1.4 29.3 52 53 A N H X S+ 0 0 2 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.819 109.5 51.6 -69.5 -30.1 37.4 4.7 27.9 53 54 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.904 109.7 50.6 -66.8 -43.9 40.5 4.7 25.7 54 55 A R H X S+ 0 0 42 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.917 110.0 49.5 -56.0 -47.9 39.4 1.2 24.5 55 56 A A H X S+ 0 0 23 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.854 109.5 51.7 -59.3 -38.5 35.9 2.7 23.8 56 57 A L H X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.934 108.9 50.5 -69.3 -41.5 37.5 5.6 21.8 57 58 A R H X S+ 0 0 11 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.908 109.8 50.6 -58.0 -46.8 39.5 3.1 19.7 58 59 A E H X S+ 0 0 98 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.878 110.1 50.7 -56.3 -41.9 36.3 1.2 19.1 59 60 A A H X S+ 0 0 23 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.891 111.2 47.1 -61.7 -45.5 34.7 4.5 18.0 60 61 A Y H ><>S+ 0 0 2 -4,-2.7 5,-2.5 1,-0.2 3,-1.1 0.974 114.8 47.5 -58.5 -52.6 37.6 5.2 15.6 61 62 A R H ><5S+ 0 0 119 -4,-3.2 3,-1.6 1,-0.3 -2,-0.2 0.856 105.7 57.1 -56.8 -47.9 37.4 1.6 14.2 62 63 A A H 3<5S+ 0 0 90 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.798 110.3 46.3 -56.8 -26.0 33.7 1.7 13.7 63 64 A R T <<5S- 0 0 83 -3,-1.1 92,-2.8 -4,-1.0 -1,-0.3 0.347 123.6-105.3 -98.9 5.0 34.2 4.8 11.5 64 65 A G T < 5S+ 0 0 47 -3,-1.6 94,-0.3 -4,-0.3 -3,-0.2 0.505 79.4 127.1 87.4 14.0 37.1 3.2 9.6 65 66 A G < - 0 0 9 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.354 56.5-113.7-106.6 179.0 39.8 5.2 11.4 66 67 A A - 0 0 2 90,-0.5 -36,-2.7 -38,-0.4 2,-0.5 -0.929 21.1-178.1-124.3 119.3 43.1 4.6 13.3 67 68 A L E -c 30 0A 0 -2,-0.5 2,-0.2 -38,-0.2 -36,-0.2 -0.965 14.1-156.6-116.4 112.2 43.8 5.3 17.0 68 69 A W E -c 31 0A 10 -38,-2.8 -36,-2.1 -2,-0.5 2,-0.4 -0.596 3.9-163.9 -77.8 143.1 47.3 4.6 18.3 69 70 A V E +c 32 0A 1 92,-2.0 2,-0.3 -2,-0.2 -36,-0.2 -0.972 12.1 176.7-132.1 115.9 47.9 3.9 21.9 70 71 A L E -c 33 0A 15 -38,-2.4 -36,-3.2 -2,-0.4 2,-0.5 -0.895 21.0-136.4-118.9 155.4 51.5 4.1 23.2 71 72 A E E +c 34 0A 106 -2,-0.3 2,-0.3 -38,-0.2 -36,-0.2 -0.919 58.4 44.7-118.1 127.3 52.8 3.8 26.8 72 73 A G S S- 0 0 18 -38,-2.9 -2,-0.1 -2,-0.5 3,-0.0 -0.934 93.2 -14.9 141.9-168.6 55.4 6.1 28.3 73 74 A L >> - 0 0 51 -2,-0.3 4,-2.6 -38,-0.1 3,-2.2 -0.620 56.0-133.4 -71.3 131.1 56.5 9.7 28.7 74 75 A P H 3> S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.825 104.6 59.3 -54.3 -34.3 54.6 12.0 26.2 75 76 A W H 34 S+ 0 0 22 1,-0.2 -2,-0.0 2,-0.2 29,-0.0 0.512 115.2 36.3 -76.9 -10.5 57.9 13.8 25.2 76 77 A E H <> S+ 0 0 114 -3,-2.2 4,-1.6 3,-0.1 -1,-0.2 0.691 123.4 40.5 -94.1 -49.1 59.3 10.4 24.1 77 78 A K H X S+ 0 0 50 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.787 110.1 54.6 -77.4 -37.0 56.1 8.8 22.7 78 79 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.962 113.1 43.5 -63.7 -47.4 54.5 11.7 20.9 79 80 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.902 111.7 56.3 -64.1 -34.0 57.7 12.3 18.8 80 81 A E H X S+ 0 0 39 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.949 109.6 43.6 -54.7 -57.3 58.0 8.6 18.3 81 82 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 6,-0.3 0.930 112.1 53.6 -54.9 -46.2 54.5 8.4 16.8 82 83 A A H <>S+ 0 0 6 -4,-2.7 5,-2.0 1,-0.2 4,-0.5 0.919 113.5 43.5 -60.1 -38.9 55.1 11.6 14.7 83 84 A R H ><5S+ 0 0 165 -4,-2.5 3,-0.9 3,-0.2 -1,-0.2 0.929 113.9 49.0 -68.4 -49.9 58.3 10.0 13.2 84 85 A R H 3<5S+ 0 0 123 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.902 120.5 37.6 -63.1 -32.2 56.8 6.6 12.6 85 86 A L T 3<5S- 0 0 17 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.431 102.6-128.5 -89.6 -7.6 53.8 8.1 10.9 86 87 A K T < 5 - 0 0 171 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.868 41.5-171.6 52.9 41.7 55.7 10.9 9.1 87 88 A A < - 0 0 7 -5,-2.0 -84,-0.2 -6,-0.3 -1,-0.2 -0.317 26.2-148.2 -67.6 145.4 53.1 13.2 10.6 88 89 A K S S- 0 0 133 -86,-2.8 2,-0.3 1,-0.2 -85,-0.2 0.788 75.5 -16.0 -82.5 -29.8 53.2 16.9 9.4 89 90 A A E -b 3 0A 6 -87,-0.6 -85,-2.7 24,-0.2 2,-0.4 -0.971 60.7-122.0-164.9 164.4 51.9 18.2 12.7 90 91 A V E -bd 4 115A 0 24,-2.3 26,-3.6 -2,-0.3 2,-0.4 -0.976 22.0-163.4-117.9 135.7 50.3 17.3 16.0 91 92 A Y E +bd 5 116A 7 -87,-2.9 -85,-2.8 -2,-0.4 2,-0.3 -0.970 18.6 152.4-117.1 142.8 47.0 18.8 17.3 92 93 A A E - d 0 117A 0 24,-2.0 26,-2.4 -2,-0.4 2,-0.5 -0.952 46.4 -94.0-157.0 163.6 45.6 18.7 20.9 93 94 A L E - d 0 118A 4 -87,-0.4 -84,-0.1 -2,-0.3 24,-0.1 -0.768 51.7-102.0 -82.7 133.1 43.4 20.7 23.2 94 95 A T - 0 0 37 24,-2.7 2,-0.5 -2,-0.5 26,-0.3 -0.120 29.7-154.9 -46.4 136.6 45.2 23.1 25.5 95 96 A S - 0 0 31 5,-0.1 9,-0.1 2,-0.1 -1,-0.1 -0.984 5.5-166.1-115.6 124.1 45.7 22.0 29.1 96 97 A H + 0 0 56 -2,-0.5 -1,-0.1 4,-0.1 -2,-0.1 0.188 52.6 111.1 -94.0 13.3 46.1 24.9 31.5 97 98 A T S > S- 0 0 68 1,-0.1 4,-3.3 0, 0.0 5,-0.3 -0.488 81.2-112.6 -86.0 156.0 47.4 22.8 34.4 98 99 A P H > S+ 0 0 74 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.919 121.5 41.4 -53.8 -45.1 51.0 22.9 35.8 99 100 A Y H > S+ 0 0 53 2,-0.2 4,-3.7 3,-0.2 5,-0.4 0.930 112.8 54.5 -69.3 -40.2 51.6 19.4 34.5 100 101 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.950 113.1 42.9 -54.2 -47.2 49.7 20.1 31.2 101 102 A R H X S+ 0 0 125 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.902 116.1 47.7 -70.1 -40.5 52.0 23.1 30.6 102 103 A Y H X S+ 0 0 118 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.948 116.0 43.2 -60.3 -56.3 55.1 21.3 31.6 103 104 A R H X S+ 0 0 16 -4,-3.7 4,-2.8 2,-0.2 -2,-0.2 0.928 115.2 48.0 -59.1 -51.3 54.4 18.1 29.5 104 105 A D H X S+ 0 0 4 -4,-2.7 4,-2.8 -5,-0.4 -1,-0.2 0.899 110.4 52.8 -62.3 -36.0 53.3 20.1 26.4 105 106 A G H X S+ 0 0 23 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.944 111.4 46.1 -57.1 -48.9 56.3 22.4 26.6 106 107 A R H X S+ 0 0 102 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.880 112.7 50.9 -64.3 -38.2 58.6 19.3 26.7 107 108 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.956 108.9 50.3 -65.4 -45.8 56.6 17.7 23.8 108 109 A R H < S+ 0 0 124 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.919 110.5 51.6 -59.2 -36.5 57.0 20.9 21.7 109 110 A E H < S+ 0 0 149 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.890 113.6 42.4 -65.3 -41.9 60.7 20.9 22.4 110 111 A A H < S+ 0 0 45 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.706 97.5 88.0 -84.3 -19.6 61.2 17.3 21.3 111 112 A L < - 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0 0 13 -92,-2.8 2,-0.1 -2,-0.3 -126,-0.0 -0.884 26.5 -98.4-108.8 151.0 37.5 8.7 9.4 156 157 A P - 0 0 39 0, 0.0 -90,-0.5 0, 0.0 2,-0.1 -0.370 44.7-102.1 -68.8 143.4 40.4 8.3 7.0 157 158 A K + 0 0 173 -92,-0.2 -92,-0.2 -2,-0.1 -93,-0.0 -0.367 53.7 151.6 -57.6 141.6 42.1 4.9 6.9 158 159 A G - 0 0 20 -94,-0.3 2,-0.2 -2,-0.1 -91,-0.1 -0.965 47.5 -81.2-159.6 173.8 45.4 4.6 8.6 159 160 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 -93,-0.1 -0.548 39.9-142.2 -78.5 143.0 47.6 2.0 10.4 160 161 A E + 0 0 70 -2,-0.2 2,-0.3 -94,-0.1 -92,-0.1 -0.916 22.4 176.9-105.4 137.4 46.8 1.1 14.0 161 162 A E + 0 0 79 -2,-0.4 -92,-2.0 -94,-0.0 0, 0.0 -0.964 30.5 40.0-134.9 153.0 49.5 0.5 16.7 162 163 A G - 0 0 8 -2,-0.3 2,-0.3 -94,-0.2 -92,-0.2 0.266 63.1-100.3 100.1 153.1 49.7 -0.3 20.4 163 164 A E - 0 0 147 -94,-0.2 -2,-0.0 -95,-0.0 -95,-0.0 -0.698 15.7-141.3-113.0 149.0 47.9 -2.3 23.1 164 165 A I - 0 0 11 -2,-0.3 -2,-0.0 -110,-0.0 -94,-0.0 -0.931 29.4-130.5-107.9 104.6 45.4 -1.2 25.7 165 166 A P - 0 0 36 0, 0.0 2,-0.7 0, 0.0 0, 0.0 -0.127 9.4-131.2 -55.1 146.1 46.1 -3.1 28.9 166 167 A R - 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0 0 53 -3,-1.2 3,-1.1 1,-0.1 108,-0.4 -0.387 64.2-133.5 -57.4 141.3 19.5 14.1 48.0 203 204 A L T 3 S+ 0 0 0 173,-2.8 105,-0.6 1,-0.3 108,-0.3 0.852 107.6 55.7 -66.5 -29.8 22.1 12.0 49.8 204 205 A D T 3 S- 0 0 22 172,-0.5 -1,-0.3 103,-0.1 173,-0.1 0.641 99.5-138.5 -77.7 -12.1 21.6 9.2 47.2 205 206 A G X + 0 0 10 -3,-1.1 3,-1.1 -6,-0.1 5,-0.1 0.640 60.7 133.9 63.9 19.4 22.3 11.6 44.3 206 207 A E T 3 + 0 0 87 1,-0.2 -6,-0.1 -7,-0.1 -1,-0.1 0.551 60.7 64.0 -81.4 -5.3 19.5 10.1 42.3 207 208 A G T 3 S+ 0 0 8 -8,-0.6 -1,-0.2 -5,-0.1 -7,-0.2 0.629 97.1 76.0 -83.0 -10.5 18.2 13.5 41.3 208 209 A G S < S- 0 0 15 -3,-1.1 -15,-0.0 -9,-0.2 100,-0.0 -0.211 90.1-108.6-101.6 179.2 21.4 14.2 39.3 209 210 A S - 0 0 26 -2,-0.1 -21,-0.1 -17,-0.0 -1,-0.1 0.728 30.0-144.8 -81.5 -27.1 22.9 13.1 36.0 210 211 A R + 0 0 101 -5,-0.1 4,-0.1 1,-0.1 -25,-0.0 0.800 62.5 124.3 61.2 31.2 25.7 10.8 37.3 211 212 A L >> + 0 0 5 1,-0.2 4,-2.2 2,-0.1 3,-1.5 0.509 31.0 101.1 -98.6 -5.8 27.8 12.0 34.4 212 213 A S H 3> S+ 0 0 23 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.826 76.2 59.6 -52.9 -37.1 30.8 13.3 36.3 213 214 A P H 3> S+ 0 0 4 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.853 110.9 43.0 -65.2 -28.9 32.9 10.2 35.5 214 215 A Y H X4>S+ 0 0 18 -3,-1.5 5,-2.3 2,-0.2 6,-1.0 0.896 113.2 50.8 -74.6 -42.9 32.4 11.1 31.8 215 216 A F H ><5S+ 0 0 23 -4,-2.2 3,-1.4 1,-0.2 -3,-0.2 0.880 104.2 59.7 -59.5 -41.2 33.0 14.8 32.2 216 217 A A H 3<5S+ 0 0 23 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 113.0 36.8 -59.5 -37.7 36.3 14.1 34.2 217 218 A L T <<5S- 0 0 26 -4,-0.6 -206,-1.9 -3,-0.5 -1,-0.3 0.253 112.8-114.3 -94.2 4.7 37.8 12.3 31.2 218 219 A G T < 5S+ 0 0 5 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.772 77.2 132.5 69.1 16.5 36.3 14.6 28.5 219 220 A V S - 0 0 0 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.688 6.2-148.2 -69.6 133.2 31.9 17.8 26.3 222 223 A P H > S+ 0 0 25 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.856 100.1 56.5 -71.9 -31.0 30.5 20.3 28.9 223 224 A R H > S+ 0 0 44 2,-0.2 4,-2.5 -102,-0.2 5,-0.2 0.896 107.6 46.7 -58.5 -48.3 29.7 22.7 26.0 224 225 A L H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.934 113.8 49.4 -59.9 -45.0 27.5 20.0 24.3 225 226 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.927 112.8 45.8 -59.2 -48.3 25.8 19.2 27.7 226 227 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.929 113.9 49.9 -63.5 -41.8 25.1 22.9 28.4 227 228 A W H X S+ 0 0 82 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.957 111.9 47.3 -61.6 -45.6 23.8 23.4 24.8 228 229 A E H X S+ 0 0 74 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.936 112.0 49.5 -65.5 -42.0 21.5 20.4 25.0 229 230 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.891 110.7 51.3 -63.0 -38.1 20.1 21.5 28.4 230 231 A E H < S+ 0 0 72 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.872 107.8 51.4 -70.0 -29.6 19.5 25.0 27.1 231 232 A R H < S+ 0 0 186 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.885 113.0 46.6 -73.4 -33.2 17.6 23.6 24.0 232 233 A R H < S+ 0 0 107 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.964 91.9 166.4 -67.1 -52.9 15.5 21.6 26.5 233 234 A G < + 0 0 23 -4,-3.2 4,-0.2 -5,-0.1 3,-0.1 -0.098 15.5 119.4 60.6-162.8 15.0 24.6 28.8 234 235 A G S > S- 0 0 58 1,-0.1 4,-0.7 -4,-0.1 3,-0.4 -0.372 83.0 -57.8 86.2-178.4 12.4 24.8 31.6 235 236 A E H >> S+ 0 0 123 1,-0.3 4,-1.2 2,-0.2 3,-0.5 0.924 131.6 53.9 -75.9 -46.4 13.3 25.3 35.2 236 237 A G H 3> S+ 0 0 1 -42,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.860 100.6 71.1 -42.9 -33.6 15.6 22.4 36.0 237 238 A A H 3> S+ 0 0 5 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.879 95.4 43.8 -66.4 -45.3 17.6 23.7 33.0 238 239 A R H X S+ 0 0 8 -4,-2.6 4,-1.9 1,-0.2 3,-0.6 0.932 110.2 49.9 -66.7 -37.7 21.7 22.3 36.0 241 242 A V H 3X S+ 0 0 6 -4,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.885 103.2 61.3 -70.6 -32.9 23.8 24.5 33.8 242 243 A A H 3X S+ 0 0 20 -4,-2.0 4,-0.9 2,-0.2 -1,-0.3 0.841 104.9 49.0 -55.7 -37.2 24.8 26.5 36.9 243 244 A E H X S+ 0 0 16 -4,-1.9 4,-1.2 1,-0.2 3,-0.6 0.882 107.2 55.4 -47.3 -43.3 28.2 22.6 34.9 245 246 A L H 3X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.789 95.9 62.9 -66.5 -31.8 29.5 26.1 35.5 246 247 A W H 3X S+ 0 0 44 -4,-0.9 4,-1.8 -3,-0.5 -1,-0.2 0.831 99.9 56.1 -58.0 -33.6 30.8 25.2 39.0 247 248 A R H < + 0 0 18 -4,-2.4 3,-2.2 -5,-0.2 -1,-0.2 -0.556 66.0 160.7-132.6 61.6 45.2 30.7 42.6 258 259 A P G > + 0 0 67 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.833 69.7 69.9 -62.2 -22.4 47.5 27.7 42.0 259 260 A W G >> S+ 0 0 72 1,-0.3 3,-2.0 2,-0.2 4,-1.3 0.588 73.3 85.6 -74.2 -5.0 48.8 27.9 45.5 260 261 A M G <4 S+ 0 0 1 -3,-2.2 -1,-0.3 1,-0.3 5,-0.1 0.680 77.4 68.7 -70.6 -11.0 45.4 26.7 46.8 261 262 A A G <4 S+ 0 0 25 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.695 110.4 34.9 -68.6 -13.9 46.8 23.2 46.2 262 263 A E T <4 S+ 0 0 129 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.683 127.9 1.2-111.0 -26.5 49.2 24.0 49.1 263 264 A R S < S- 0 0 93 -4,-1.3 -1,-0.3 65,-0.0 7,-0.1 -0.982 87.2 -63.8-162.2 158.4 47.1 26.1 51.5 264 265 A P - 0 0 5 0, 0.0 93,-0.2 0, 0.0 6,-0.1 -0.217 34.5-135.0 -51.2 141.4 43.7 27.7 52.2 265 266 A L S S+ 0 0 0 91,-0.7 92,-0.2 -5,-0.1 3,-0.1 0.872 97.9 72.2 -59.3 -42.3 42.5 30.3 49.8 266 267 A D S > S- 0 0 22 90,-2.6 3,-1.9 1,-0.2 4,-0.2 -0.711 77.6-154.4 -76.5 113.3 41.5 32.3 52.9 267 268 A P G > S+ 0 0 74 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.802 88.7 71.4 -63.9 -21.1 44.8 33.5 54.4 268 269 A R G 3 S+ 0 0 153 1,-0.3 3,-0.3 2,-0.1 150,-0.1 0.772 99.8 47.4 -63.8 -22.1 43.1 33.7 57.9 269 270 A F G X S+ 0 0 4 -3,-1.9 3,-1.8 1,-0.2 -1,-0.3 0.365 79.9 96.7 -99.9 3.2 43.1 29.9 57.9 270 271 A Q T < S+ 0 0 79 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.812 89.4 45.8 -73.0 -16.3 46.6 29.2 56.9 271 272 A A T 3 S+ 0 0 83 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.090 78.2 143.3-106.6 22.0 47.6 28.8 60.5 272 273 A F < - 0 0 9 -3,-1.8 2,-2.1 1,-0.1 -3,-0.1 -0.423 57.0-123.1 -63.5 130.5 44.7 26.6 61.6 273 274 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.496 36.4-173.6 -81.3 77.1 46.0 24.0 64.1 274 275 A W - 0 0 54 -2,-2.1 2,-0.6 1,-0.1 51,-0.2 -0.270 18.1-132.9 -61.2 157.9 45.0 20.8 62.4 275 276 A Q - 0 0 89 49,-3.2 2,-0.1 48,-0.1 -1,-0.1 -0.888 10.5-151.4-127.3 98.3 45.5 17.7 64.4 276 277 A E + 0 0 101 -2,-0.6 2,-0.2 49,-0.1 49,-0.0 -0.399 26.9 160.2 -67.1 146.6 47.2 14.8 62.7 277 278 A D > - 0 0 70 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.600 30.7-155.1-177.9 101.6 46.1 11.5 64.1 278 279 A E H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.923 94.7 51.4 -59.3 -48.9 46.5 8.2 62.3 279 280 A A H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 113.2 44.2 -57.0 -49.8 43.7 6.4 64.0 280 281 A L H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.848 110.6 54.8 -63.5 -43.2 41.2 9.2 63.4 281 282 A F H X S+ 0 0 7 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.949 111.7 45.6 -52.9 -46.0 42.3 9.5 59.8 282 283 A Q H X S+ 0 0 67 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.841 108.3 55.2 -69.2 -37.4 41.7 5.8 59.3 283 284 A A H <>S+ 0 0 15 -4,-1.9 5,-4.2 -5,-0.2 6,-0.2 0.920 115.8 39.4 -60.7 -42.9 38.3 5.9 61.1 284 285 A W H ><5S+ 0 0 0 -4,-2.2 3,-2.4 3,-0.2 -2,-0.2 0.973 114.2 53.0 -68.3 -52.2 37.2 8.6 58.6 285 286 A Y H 3<5S+ 0 0 49 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.864 116.6 38.4 -56.3 -39.0 38.8 7.0 55.6 286 287 A E T 3<5S- 0 0 78 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.338 114.2-113.2 -95.2 10.3 37.2 3.7 56.2 287 288 A G T < 5S+ 0 0 0 -3,-2.4 -3,-0.2 -4,-0.1 3,-0.2 0.941 77.1 129.3 57.0 49.9 33.8 5.1 57.3 288 289 A K < + 0 0 125 -5,-4.2 -4,-0.2 -6,-0.2 -1,-0.1 -0.253 25.6 116.7-123.7 43.3 34.1 3.9 60.9 289 290 A T S S- 0 0 1 2,-0.2 110,-3.1 -6,-0.2 111,-0.3 0.708 81.1-121.3 -81.9 -22.1 33.4 7.1 62.6 290 291 A G S S+ 0 0 4 108,-0.3 106,-2.8 1,-0.2 -2,-0.1 0.496 80.8 118.2 81.7 8.0 30.2 6.0 64.3 291 292 A V > - 0 0 0 104,-0.2 4,-2.9 1,-0.2 5,-0.3 -0.931 59.9-149.6-107.0 109.1 28.4 8.8 62.5 292 293 A P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.878 91.5 45.7 -49.3 -52.9 25.8 7.1 60.2 293 294 A L H > S+ 0 0 0 100,-0.3 4,-2.4 76,-0.2 5,-0.2 0.913 117.0 44.2 -56.0 -50.0 25.8 9.7 57.4 294 295 A V H > S+ 0 0 1 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 115.7 47.8 -66.2 -40.2 29.6 10.0 57.2 295 296 A D H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.915 111.4 50.1 -69.9 -40.6 30.1 6.2 57.4 296 297 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 -5,-0.3 -1,-0.2 0.931 111.5 49.9 -58.3 -48.4 27.4 5.5 54.8 297 298 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.943 113.3 43.7 -58.3 -49.6 29.1 8.1 52.5 298 299 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.855 113.8 50.6 -72.9 -30.6 32.6 6.7 52.9 299 300 A R H X S+ 0 0 56 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.909 110.9 49.2 -71.4 -40.1 31.5 3.1 52.5 300 301 A E H X S+ 0 0 17 -4,-2.6 4,-2.5 -5,-0.2 5,-0.4 0.961 111.9 49.6 -60.9 -46.1 29.5 4.0 49.3 301 302 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.914 111.0 48.7 -58.4 -47.4 32.7 5.7 47.9 302 303 A H H < S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 118.4 40.6 -57.1 -43.5 34.9 2.8 48.7 303 304 A A H < S+ 0 0 50 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.772 131.3 18.7 -81.5 -26.6 32.5 0.3 47.1 304 305 A T H < S- 0 0 37 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.627 84.4-126.0-122.4 -25.8 31.4 2.4 44.0 305 306 A G S < S+ 0 0 0 -4,-2.0 34,-2.4 -5,-0.4 35,-0.6 0.613 82.3 86.5 78.8 12.5 33.8 5.2 43.2 306 307 A F + 0 0 19 -6,-0.4 2,-0.3 32,-0.2 -1,-0.2 -0.985 46.9 175.2-141.7 153.1 30.9 7.8 43.2 307 308 A L - 0 0 1 -2,-0.3 -103,-0.1 -3,-0.1 -102,-0.1 -0.976 34.8-106.3-152.9 146.7 29.1 9.9 45.9 308 309 A S > - 0 0 6 -105,-0.6 4,-2.5 -2,-0.3 5,-0.2 -0.301 33.9-112.5 -67.8 158.1 26.4 12.5 45.6 309 310 A N H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 118.7 53.8 -53.7 -45.2 27.3 16.2 46.1 310 311 A R H > S+ 0 0 31 -108,-0.4 4,-1.6 -110,-0.3 -1,-0.2 0.900 111.8 44.6 -65.4 -35.8 25.4 16.3 49.4 311 312 A A H > S+ 0 0 0 -109,-0.3 4,-2.9 -108,-0.3 5,-0.2 0.896 111.6 53.3 -70.4 -38.2 27.2 13.2 50.7 312 313 A R H X S+ 0 0 45 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.945 108.7 47.7 -63.1 -48.7 30.6 14.6 49.5 313 314 A M H X S+ 0 0 14 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.907 115.4 46.2 -64.4 -39.4 30.2 17.9 51.3 314 315 A N H X S+ 0 0 6 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.915 115.1 45.2 -64.2 -47.4 29.1 16.1 54.5 315 316 A A H X S+ 0 0 0 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.911 117.7 44.3 -64.0 -42.0 31.9 13.5 54.5 316 317 A A H X S+ 0 0 4 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.930 113.6 48.0 -70.5 -48.2 34.6 16.1 53.6 317 318 A Q H X>S+ 0 0 6 -4,-2.3 4,-3.6 -5,-0.3 5,-0.8 0.904 105.7 59.7 -62.3 -35.6 33.5 18.8 56.1 318 319 A F H X>S+ 0 0 6 -4,-1.8 5,-2.0 -5,-0.2 4,-0.7 0.927 106.4 47.5 -57.2 -46.4 33.3 16.2 58.9 319 320 A A H <5S+ 0 0 0 -4,-1.3 6,-2.8 3,-0.2 -1,-0.2 0.908 120.9 36.7 -56.6 -50.1 37.0 15.4 58.4 320 321 A V H <5S+ 0 0 0 -4,-1.9 4,-0.3 4,-0.2 -2,-0.2 0.936 130.7 24.5 -72.9 -51.7 38.0 19.0 58.4 321 322 A K H <5S+ 0 0 4 -4,-3.6 88,-0.2 -5,-0.2 -3,-0.2 0.928 130.9 32.8 -89.4 -49.7 35.7 20.6 61.0 322 323 A H T < - 0 0 32 0, 0.0 4,-1.3 0, 0.0 3,-0.2 -0.377 36.5-143.7 -49.2 122.7 44.8 17.8 57.8 327 328 A W H > S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.745 88.7 63.4 -66.4 -33.0 42.8 18.5 54.7 328 329 A K H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.944 104.8 44.8 -63.5 -51.7 45.6 17.7 52.1 329 330 A R H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 116.7 46.8 -53.2 -51.4 45.9 14.1 53.1 330 331 A C H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.896 110.2 53.3 -57.5 -45.6 42.1 13.7 53.1 331 332 A E H X S+ 0 0 10 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.911 112.3 44.2 -56.3 -49.8 41.6 15.5 49.8 332 333 A E H X S+ 0 0 97 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.894 112.5 50.3 -67.6 -43.0 44.1 13.2 48.1 333 334 A A H X S+ 0 0 16 -4,-2.4 4,-0.8 -5,-0.2 -2,-0.2 0.923 112.2 50.5 -61.3 -37.5 42.7 10.0 49.6 334 335 A F H >X S+ 0 0 3 -4,-2.6 3,-0.8 1,-0.2 4,-0.6 0.909 108.5 49.7 -64.3 -49.4 39.2 11.1 48.5 335 336 A R H >< S+ 0 0 29 -4,-2.2 3,-1.3 1,-0.2 6,-0.3 0.892 105.3 58.3 -59.3 -41.7 40.2 11.9 44.9 336 337 A H H 3< S+ 0 0 47 -4,-2.0 -291,-0.3 1,-0.3 -1,-0.2 0.728 105.6 50.4 -62.4 -22.5 41.9 8.5 44.6 337 338 A L H << S+ 0 0 6 -3,-0.8 2,-0.5 -4,-0.8 -1,-0.3 0.574 96.4 87.6 -87.0 -15.9 38.6 6.8 45.4 338 339 A L X< - 0 0 2 -3,-1.3 3,-1.3 -4,-0.6 -32,-0.2 -0.781 60.6-156.4 -94.7 128.2 36.6 8.7 42.8 339 340 A L T 3 S+ 0 0 7 -34,-2.4 -1,-0.1 -2,-0.5 -33,-0.1 0.852 106.2 44.7 -60.7 -35.0 36.1 7.7 39.2 340 341 A D T 3 S+ 0 0 8 -35,-0.6 -1,-0.3 -3,-0.1 -34,-0.1 0.237 84.3 151.0 -90.7 12.8 35.4 11.4 38.5 341 342 A G < + 0 0 8 -3,-1.3 2,-0.4 -6,-0.3 -6,-0.1 -0.209 15.8 171.1 -57.2 125.2 38.4 12.4 40.6 342 343 A D > - 0 0 27 1,-0.1 4,-3.0 -125,-0.0 5,-0.4 -0.956 32.0-138.2-147.6 113.7 39.7 15.6 39.2 343 344 A R H > S+ 0 0 116 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.861 99.6 41.6 -53.5 -50.8 42.3 17.6 41.1 344 345 A A H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.898 118.2 46.0 -62.8 -40.1 40.9 21.1 40.6 345 346 A V H > S+ 0 0 33 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.920 114.7 46.8 -71.4 -43.8 37.3 20.2 41.2 346 347 A N H X S+ 0 0 14 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.877 112.6 50.7 -63.2 -41.3 38.1 18.1 44.3 347 348 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 -5,-0.4 5,-0.2 0.909 111.6 48.0 -61.0 -47.0 40.3 20.9 45.7 348 349 A Q H X S+ 0 0 19 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.942 113.3 47.7 -54.0 -53.0 37.5 23.4 45.1 349 350 A G H X S+ 0 0 27 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.903 113.8 46.8 -59.7 -43.4 35.0 21.1 46.8 350 351 A W H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.931 113.2 47.8 -65.5 -46.0 37.2 20.4 49.8 351 352 A Q H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 7,-0.7 0.792 116.1 45.9 -67.8 -23.7 38.1 24.1 50.3 352 353 A W H ><5S+ 0 0 77 -4,-2.1 3,-1.4 -5,-0.2 -2,-0.2 0.964 116.7 41.6 -77.6 -57.0 34.4 24.9 50.0 353 354 A A H 3<5S+ 0 0 2 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.801 115.4 53.4 -57.1 -32.8 33.1 22.2 52.3 354 355 A G T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.494 109.8-120.4 -87.0 -2.8 36.0 22.8 54.7 355 356 A G T < 5 + 0 0 4 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.878 68.3 139.0 67.5 41.8 35.3 26.5 55.0 356 357 A L S S+ 0 0 13 -6,-0.6 3,-1.1 1,-0.3 2,-0.3 0.319 81.1 135.2 128.4 -5.8 38.0 30.2 51.4 358 359 A V G > S- 0 0 0 -7,-0.7 3,-2.3 1,-0.2 -1,-0.3 -0.547 87.5 -7.9 -73.1 130.7 36.1 29.1 48.3 359 360 A D G 3 S- 0 0 41 -226,-1.9 -1,-0.2 -2,-0.3 -225,-0.2 0.754 114.0 -82.6 61.9 24.5 33.1 31.3 47.3 360 361 A A G < S- 0 0 73 -3,-1.1 -1,-0.3 -227,-0.3 -2,-0.1 0.792 71.8-178.9 44.8 34.3 33.5 33.0 50.7 361 362 A A < - 0 0 19 -3,-2.3 -4,-0.3 1,-0.1 -1,-0.2 -0.405 31.7-109.8 -63.3 130.5 31.6 30.1 52.2 362 363 A P > - 0 0 62 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.390 9.0-134.8 -79.0 142.1 31.4 31.0 55.9 363 364 A Y T 3 S+ 0 0 33 1,-0.2 51,-0.1 -8,-0.1 50,-0.1 0.834 99.1 67.8 -54.6 -31.2 33.3 29.1 58.6 364 365 A F T 3 + 0 0 120 49,-0.1 2,-0.9 2,-0.0 -1,-0.2 0.612 69.6 100.4 -79.9 -8.9 30.2 29.0 60.8 365 366 A R < + 0 0 103 -3,-1.4 2,-0.5 2,-0.0 -4,-0.0 -0.637 50.7 172.6 -75.6 105.0 28.2 26.7 58.6 366 367 A V - 0 0 20 -2,-0.9 2,-0.1 -45,-0.0 -2,-0.0 -0.975 30.4-125.9-119.8 117.7 28.6 23.3 60.3 367 368 A F - 0 0 11 -2,-0.5 3,-0.0 -54,-0.1 -2,-0.0 -0.369 9.9-144.6 -59.6 127.7 26.6 20.3 59.1 368 369 A N > - 0 0 84 1,-0.1 4,-2.9 -2,-0.1 5,-0.2 -0.918 14.5-150.4 -88.2 110.6 24.6 18.6 61.8 369 370 A P H > S+ 0 0 7 0, 0.0 4,-0.9 0, 0.0 -76,-0.2 0.664 90.7 48.5 -71.0 -15.1 25.0 15.0 60.5 370 371 A V H > S+ 0 0 39 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.918 114.1 43.9 -82.4 -47.6 21.6 13.8 62.0 371 372 A L H > S+ 0 0 72 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.903 111.6 56.2 -54.4 -47.3 19.6 16.8 60.6 372 373 A Q H X S+ 0 0 1 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.938 110.8 43.6 -54.9 -44.8 21.4 16.4 57.2 373 374 A G H X S+ 0 0 0 -4,-0.9 4,-1.2 -5,-0.2 -1,-0.2 0.883 113.1 52.0 -66.1 -39.6 20.3 12.8 57.0 374 375 A E H < S+ 0 0 123 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 115.5 41.2 -63.1 -40.6 16.8 13.7 58.1 375 376 A R H < S+ 0 0 132 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.727 124.5 33.5 -77.5 -26.7 16.5 16.3 55.5 376 377 A H H < S+ 0 0 27 -4,-1.6 -173,-2.8 -5,-0.2 -172,-0.5 0.326 112.7 53.5-124.8 9.1 18.2 14.5 52.6 377 378 A D S >< S- 0 0 7 -4,-1.2 3,-1.6 -175,-0.2 -1,-0.2 -0.607 70.3-166.2-143.0 82.9 17.3 10.8 53.0 378 379 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.754 81.5 11.6 -45.9 -72.6 13.5 10.5 53.3 379 380 A E T 3 S- 0 0 155 0, 0.0 -5,-0.1 0, 0.0 0, 0.0 0.102 110.9-103.6 -94.9 17.5 12.6 7.0 54.6 380 381 A G S <> S+ 0 0 21 -3,-1.6 4,-2.0 -7,-0.2 5,-0.1 0.696 77.3 142.7 68.3 22.2 16.2 6.4 55.4 381 382 A R H > + 0 0 141 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.850 67.9 51.2 -60.3 -35.5 16.6 4.2 52.3 382 383 A W H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.942 109.2 48.3 -72.8 -44.0 20.1 5.5 51.6 383 384 A L H > S+ 0 0 7 1,-0.2 4,-3.1 2,-0.2 7,-0.2 0.906 110.6 54.5 -59.6 -41.3 21.4 4.9 55.1 384 385 A K H < S+ 0 0 141 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.844 109.1 46.5 -61.8 -38.3 19.9 1.4 54.9 385 386 A R H < S+ 0 0 158 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.874 124.2 30.8 -69.8 -39.0 21.7 0.5 51.7 386 387 A W H < S+ 0 0 42 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.713 137.3 8.8-105.6 -22.3 25.1 1.8 52.8 387 388 A A >< + 0 0 0 -4,-3.1 3,-2.1 -5,-0.2 -1,-0.2 -0.373 60.0 165.2-150.7 67.7 25.4 1.3 56.6 388 389 A P T 3 + 0 0 84 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.572 63.4 89.7 -68.5 -8.0 22.4 -0.7 57.8 389 390 A E T 3 S+ 0 0 105 -6,-0.1 -5,-0.1 -97,-0.1 -6,-0.0 0.806 80.2 70.2 -39.3 -41.7 24.4 -1.2 61.0 390 391 A Y < - 0 0 13 -3,-2.1 -3,-0.1 -7,-0.2 -1,-0.0 -0.817 66.7-159.6-102.6 124.6 22.7 2.0 62.1 391 392 A P S S- 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.699 80.4 -2.6 -69.7 -28.7 18.9 2.1 63.0 392 393 A S S S- 0 0 59 2,-0.3 -22,-0.0 -9,-0.1 -12,-0.0 -0.885 86.0 -85.2-147.5-177.1 18.9 5.9 62.5 393 394 A Y S S+ 0 0 18 -2,-0.3 -100,-0.3 -23,-0.1 -20,-0.1 0.551 87.1 121.1 -72.0 -4.9 21.1 8.9 61.7 394 395 A A S S- 0 0 46 -103,-0.1 -2,-0.3 1,-0.1 -104,-0.0 -0.406 73.5-110.8 -60.9 125.8 21.8 9.0 65.4 395 396 A P - 0 0 43 0, 0.0 2,-0.5 0, 0.0 -104,-0.2 -0.183 27.2-153.0 -62.2 145.8 25.6 8.6 66.1 396 397 A K S S- 0 0 79 -106,-2.8 3,-0.1 1,-0.1 -6,-0.0 -0.944 72.4 -29.9-134.0 102.3 26.6 5.3 67.7 397 398 A D S S- 0 0 154 -2,-0.5 -106,-0.1 1,-0.1 -1,-0.1 0.935 86.0-153.6 42.3 59.9 29.7 5.4 69.8 398 399 A P - 0 0 43 0, 0.0 -108,-0.3 0, 0.0 -1,-0.1 -0.206 21.1-119.4 -58.3 144.3 31.1 8.3 67.6 399 400 A V S S+ 0 0 60 -110,-3.1 2,-0.3 -3,-0.1 -109,-0.1 0.619 98.3 25.9 -64.8 -17.0 34.9 8.5 67.4 400 401 A V S S- 0 0 26 -111,-0.3 2,-0.7 0, 0.0 3,-0.1 -0.968 94.3 -97.2-136.3 160.9 34.6 12.0 68.9 401 402 A D > - 0 0 88 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 -0.734 38.9-153.3 -72.2 113.0 32.1 13.9 71.0 402 403 A L H > S+ 0 0 29 -2,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.864 87.2 44.7 -65.7 -44.3 30.1 15.7 68.2 403 404 A E H > S+ 0 0 101 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.927 116.2 47.2 -69.9 -42.0 28.9 18.8 70.1 404 405 A E H > S+ 0 0 69 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.912 111.4 50.9 -60.9 -49.6 32.4 19.4 71.7 405 406 A A H X S+ 0 0 2 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.950 111.9 49.0 -50.8 -48.4 34.0 18.9 68.3 406 407 A R H X S+ 0 0 96 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.972 114.1 43.8 -53.4 -58.6 31.5 21.5 66.9 407 408 A R H X S+ 0 0 102 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.891 112.6 54.3 -56.9 -39.3 32.2 24.0 69.8 408 409 A R H X S+ 0 0 54 -4,-3.3 4,-2.6 -5,-0.2 5,-0.2 0.975 110.4 44.4 -60.6 -54.8 35.9 23.4 69.5 409 410 A Y H X S+ 0 0 2 -4,-2.8 4,-3.4 -88,-0.2 5,-0.3 0.906 114.0 49.2 -51.9 -51.7 36.1 24.2 65.7 410 411 A L H X S+ 0 0 18 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.935 111.4 49.9 -62.6 -43.9 33.9 27.2 66.0 411 412 A R H X S+ 0 0 136 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.944 115.5 42.8 -53.4 -53.6 36.0 28.6 68.8 412 413 A L H X S+ 0 0 35 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.904 117.8 45.8 -59.3 -45.3 39.2 28.0 66.9 413 414 A A H X S+ 0 0 0 -4,-3.4 4,-2.7 -5,-0.2 5,-0.2 0.785 108.9 54.9 -74.1 -32.2 37.7 29.4 63.6 414 415 A R H X S+ 0 0 76 -4,-2.8 4,-1.4 -5,-0.3 -1,-0.2 0.889 108.6 49.6 -65.6 -42.6 36.1 32.4 65.3 415 416 A D H < S+ 0 0 110 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.898 117.4 41.3 -56.0 -43.7 39.6 33.3 66.7 416 417 A L H < S+ 0 0 47 -4,-1.6 3,-0.4 2,-0.2 -2,-0.2 0.929 116.9 42.8 -76.9 -47.0 41.2 33.0 63.3 417 418 A A H < S+ 0 0 34 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.757 125.4 33.4 -72.9 -28.4 38.6 34.6 61.0 418 419 A R < 0 0 212 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.274 360.0 360.0-116.6 10.1 37.9 37.6 63.3 419 420 A G 0 0 98 -3,-0.4 -4,-0.0 -4,-0.4 0, 0.0 -0.806 360.0 360.0-103.2 360.0 41.3 38.1 64.8