==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA/INHIBITOR 05-FEB-12 4DL3 . COMPND 2 MOLECULE: DNA POLYMERASE ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHAO,C.BIERTUMPFEL,M.GREGORY,Y.HUA,F.HANAOKA,W.YANG . 430 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 25 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 1 1 1 1 4 0 1 0 0 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 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 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 95 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.2 66.7 -33.4 -3.7 2 -1 A P + 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.822 360.0 39.8 -64.3 -31.6 68.1 -32.8 -7.2 3 0 A H S S+ 0 0 177 2,-0.1 2,-0.2 0, 0.0 0, 0.0 0.531 85.5 114.3 -98.8 -9.3 64.6 -32.2 -8.6 4 1 A M - 0 0 123 -3,-0.2 2,-0.5 1,-0.1 0, 0.0 -0.455 64.0-135.7 -65.1 129.4 63.1 -30.3 -5.7 5 2 A A - 0 0 74 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.799 16.1-168.0 -92.0 124.4 62.3 -26.8 -6.8 6 3 A T - 0 0 54 -2,-0.5 -1,-0.1 298,-0.0 -2,-0.0 0.393 35.2-120.6 -97.0 1.6 63.3 -24.2 -4.2 7 4 A G S S+ 0 0 6 1,-0.1 298,-0.2 297,-0.1 3,-0.2 0.874 77.8 123.3 59.6 37.8 61.6 -21.1 -5.5 8 5 A Q + 0 0 40 1,-0.1 -1,-0.1 296,-0.1 210,-0.1 0.146 37.5 104.0-108.5 15.1 64.9 -19.3 -5.8 9 6 A D S S+ 0 0 95 208,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.840 76.2 45.2 -67.8 -37.1 64.3 -18.7 -9.5 10 7 A R - 0 0 28 207,-0.4 2,-0.6 -3,-0.2 179,-0.1 -0.748 66.2-140.9-111.9 155.1 63.4 -15.0 -9.2 11 8 A V - 0 0 1 -2,-0.3 113,-2.5 177,-0.1 114,-0.6 -0.972 32.1-179.5-109.6 116.0 64.7 -11.9 -7.4 12 9 A V E -AB 123 216A 0 204,-4.4 204,-3.3 -2,-0.6 2,-0.4 -0.944 10.7-168.0-122.8 137.4 61.8 -9.9 -6.2 13 10 A A E -AB 122 215A 0 109,-2.9 109,-3.2 -2,-0.4 2,-0.5 -0.951 8.6-160.3-123.5 143.0 61.7 -6.6 -4.3 14 11 A L E -AB 121 214A 0 200,-2.1 200,-2.1 -2,-0.4 2,-0.6 -0.986 10.7-165.0-119.2 119.3 58.9 -4.8 -2.5 15 12 A V E -AB 120 213A 1 105,-2.1 105,-1.5 -2,-0.5 2,-0.4 -0.919 8.7-178.8-107.3 122.6 59.5 -1.1 -1.9 16 13 A D E -AB 119 212A 16 196,-3.2 196,-2.9 -2,-0.6 103,-0.2 -0.978 25.6-123.8-126.4 126.8 57.2 0.6 0.6 17 14 A M E > - B 0 211A 2 101,-2.6 3,-0.6 -2,-0.4 2,-0.4 -0.357 30.5-113.6 -66.9 142.2 57.3 4.3 1.6 18 15 A D T 3 S- 0 0 4 192,-2.1 5,-0.3 1,-0.3 192,-0.2 -0.665 87.5 -24.9 -81.1 127.4 57.7 5.0 5.3 19 16 A C T 3> S- 0 0 17 -2,-0.4 4,-2.1 3,-0.1 3,-0.3 0.888 86.3-169.8 34.4 62.8 54.6 6.7 6.8 20 17 A F H <> S+ 0 0 9 -3,-0.6 4,-2.3 1,-0.2 5,-0.2 0.849 72.1 46.1 -57.0 -53.5 53.9 7.9 3.3 21 18 A F H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 113.8 52.4 -60.1 -36.7 51.0 10.4 3.8 22 19 A V H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.912 108.4 50.4 -62.7 -43.7 53.0 12.0 6.6 23 20 A Q H X S+ 0 0 21 -4,-2.1 4,-3.0 -5,-0.3 5,-0.2 0.893 107.6 52.7 -62.7 -42.1 56.1 12.3 4.4 24 21 A V H X S+ 0 0 3 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.929 114.7 42.1 -58.9 -45.7 54.1 14.0 1.7 25 22 A E H X S+ 0 0 11 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.882 113.8 53.0 -67.7 -39.2 52.8 16.5 4.2 26 23 A Q H < S+ 0 0 23 -4,-2.9 7,-0.3 2,-0.2 6,-0.2 0.886 107.8 50.3 -64.4 -40.8 56.2 16.8 5.8 27 24 A R H < S+ 0 0 83 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.931 115.7 42.7 -62.2 -45.7 57.9 17.6 2.5 28 25 A Q H < S+ 0 0 119 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.900 123.1 39.6 -67.5 -42.6 55.3 20.3 1.7 29 26 A N >< - 0 0 64 -4,-3.1 3,-1.7 -5,-0.1 4,-0.4 -0.878 67.5-169.0-114.7 99.9 55.4 21.6 5.3 30 27 A P G > S+ 0 0 77 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.725 82.4 70.2 -55.4 -27.6 58.9 21.7 6.8 31 28 A H G 3 S+ 0 0 149 1,-0.3 -5,-0.1 3,-0.0 -2,-0.0 0.768 93.6 56.1 -65.9 -25.3 57.6 22.5 10.2 32 29 A L G X S+ 0 0 13 -3,-1.7 3,-1.0 -6,-0.2 -1,-0.3 0.699 84.7 116.0 -76.5 -19.4 56.2 18.9 10.5 33 30 A R T < S+ 0 0 111 -3,-1.1 -10,-0.0 -4,-0.4 -6,-0.0 -0.168 82.1 1.8 -62.0 141.0 59.6 17.4 9.8 34 31 A N T 3 S+ 0 0 142 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.840 110.2 109.1 53.5 38.2 61.3 15.3 12.4 35 32 A K S < S- 0 0 101 -3,-1.0 2,-0.6 44,-0.0 22,-0.3 -0.962 86.3 -86.7-138.2 155.3 58.3 15.7 14.7 36 33 A P + 0 0 24 0, 0.0 43,-2.8 0, 0.0 2,-0.3 -0.538 67.5 162.7 -61.8 113.1 55.5 13.5 16.1 37 34 A C E -g 79 0B 0 -2,-0.6 17,-3.0 41,-0.2 2,-0.3 -0.968 22.7-175.3-136.4 150.7 53.1 14.0 13.2 38 35 A A E -gH 80 53B 0 41,-2.6 43,-2.4 -2,-0.3 2,-0.5 -0.976 22.6-128.7-145.3 154.8 49.9 12.3 11.9 39 36 A V E -gH 81 52B 0 13,-2.2 12,-3.2 -2,-0.3 13,-1.2 -0.910 32.1-176.9-104.2 128.7 47.6 12.8 8.9 40 37 A V E -gH 82 50B 0 41,-2.3 43,-3.0 -2,-0.5 2,-0.3 -0.873 15.7-155.5-125.3 155.2 43.9 13.0 9.6 41 38 A Q E S+ H 0 49B 56 8,-1.7 8,-1.8 -2,-0.3 43,-0.1 -0.972 73.3 19.5-127.5 146.1 40.6 13.3 7.7 42 39 A Y > - 0 0 67 -2,-0.3 3,-1.0 41,-0.3 -1,-0.2 0.990 64.4-170.1 62.1 67.0 37.3 14.8 8.8 43 40 A K T 3> S+ 0 0 77 1,-0.2 4,-0.9 5,-0.2 5,-0.2 0.747 72.0 73.5 -58.5 -30.3 38.5 16.9 11.8 44 41 A S T 34 S+ 0 0 123 3,-0.2 2,-0.8 2,-0.1 -1,-0.2 0.835 85.7 67.2 -60.1 -37.7 35.0 17.7 13.0 45 42 A W T X4 S- 0 0 154 -3,-1.0 3,-2.5 1,-0.2 -1,-0.1 -0.772 132.8 -33.5 -92.8 108.0 34.3 14.2 14.4 46 43 A K T 34 S- 0 0 96 -2,-0.8 23,-2.2 1,-0.3 24,-0.4 0.815 117.9 -56.9 53.8 34.6 36.6 13.4 17.4 47 44 A G T 3< S- 0 0 6 -4,-0.9 -1,-0.3 21,-0.2 -3,-0.2 0.361 101.2 -74.3 82.2 -6.2 39.4 15.5 15.9 48 45 A G < - 0 0 0 -3,-2.5 20,-2.8 -6,-0.2 2,-0.3 0.071 59.8 -69.0 96.8 150.7 39.3 13.4 12.7 49 46 A G E -HI 41 67B 16 -8,-1.8 -8,-1.7 18,-0.2 2,-0.5 -0.575 44.5-128.6 -77.3 133.7 40.5 9.8 12.0 50 47 A I E +H 40 0B 1 16,-2.6 15,-3.5 -2,-0.3 -10,-0.2 -0.717 33.7 166.5 -82.0 125.8 44.2 9.3 11.9 51 48 A I E + 0 0 42 -12,-3.2 2,-0.3 -2,-0.5 -11,-0.2 0.558 64.8 31.2-116.2 -14.3 45.3 7.5 8.7 52 49 A A E -H 39 0B 11 -13,-1.2 -13,-2.2 11,-0.1 2,-0.4 -0.996 63.5-164.4-146.8 142.5 49.0 8.0 8.8 53 50 A V E -H 38 0B 6 -2,-0.3 -15,-0.2 -15,-0.2 11,-0.1 -0.984 16.7-132.1-135.5 127.1 51.5 8.3 11.6 54 51 A S > - 0 0 0 -17,-3.0 4,-2.0 -2,-0.4 5,-0.2 -0.322 29.7-115.7 -68.1 157.3 55.1 9.5 11.8 55 52 A Y H > S+ 0 0 63 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.812 116.9 56.9 -68.9 -29.8 57.6 7.3 13.6 56 53 A E H 4 S+ 0 0 71 -21,-0.3 4,-0.5 1,-0.2 3,-0.3 0.907 110.2 45.9 -61.7 -41.4 58.2 10.0 16.2 57 54 A A H >4>S+ 0 0 0 -22,-0.3 5,-1.6 -20,-0.3 3,-1.2 0.844 104.4 60.7 -70.8 -35.2 54.5 9.8 16.9 58 55 A R H ><5S+ 0 0 95 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.775 93.5 66.3 -64.3 -26.0 54.4 6.0 16.9 59 56 A A T 3<5S+ 0 0 86 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.817 98.7 52.4 -62.8 -30.6 56.8 6.2 19.9 60 57 A F T < 5S- 0 0 110 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.445 126.6-104.1 -84.4 -1.5 54.0 7.7 21.9 61 58 A G T < 5 + 0 0 37 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.529 66.6 156.3 91.1 7.2 51.7 4.9 20.9 62 59 A V < - 0 0 3 -5,-1.6 2,-0.3 -8,-0.1 -1,-0.3 -0.480 20.2-175.1 -66.3 133.3 49.8 6.8 18.3 63 60 A T > - 0 0 72 -2,-0.2 3,-1.3 -11,-0.0 -13,-0.2 -0.875 30.3 -90.0-131.7 161.8 48.2 4.4 15.7 64 61 A R T 3 S+ 0 0 173 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.403 111.4 29.8 -65.0 143.9 46.3 4.5 12.5 65 62 A S T 3 S+ 0 0 99 -15,-3.5 -1,-0.2 1,-0.4 2,-0.2 0.291 90.5 128.9 86.2 -7.9 42.5 4.5 13.0 66 63 A M < - 0 0 38 -3,-1.3 -16,-2.6 -16,-0.2 -1,-0.4 -0.512 67.6-110.8 -71.6 142.9 42.9 6.3 16.3 67 64 A W B > -I 49 0B 91 -18,-0.2 4,-2.5 -2,-0.2 3,-0.3 -0.567 22.7-125.9 -71.5 141.4 40.8 9.4 16.7 68 65 A A H > S+ 0 0 0 -20,-2.8 4,-2.3 1,-0.2 -21,-0.2 0.875 110.8 55.4 -57.9 -40.0 42.9 12.5 16.7 69 66 A D H > S+ 0 0 79 -23,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.902 110.7 45.3 -59.1 -42.2 41.5 13.7 20.0 70 67 A D H > S+ 0 0 59 -24,-0.4 4,-1.3 -3,-0.3 3,-0.4 0.890 110.6 53.5 -68.0 -40.3 42.5 10.3 21.5 71 68 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.860 102.8 58.6 -61.8 -36.8 45.9 10.6 19.9 72 69 A K H < S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 100.0 57.3 -60.9 -35.5 46.4 14.0 21.4 73 70 A K H < S+ 0 0 152 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.914 113.5 38.4 -62.8 -44.3 45.9 12.4 24.9 74 71 A L H < S+ 0 0 85 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.913 133.5 26.0 -68.9 -44.6 48.9 10.1 24.2 75 72 A C >< - 0 0 1 -4,-3.1 3,-1.6 -5,-0.1 -1,-0.3 -0.832 64.8-178.4-128.9 91.7 50.9 12.8 22.4 76 73 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.803 87.2 47.5 -57.3 -35.2 50.0 16.4 23.5 77 74 A D T 3 S+ 0 0 129 2,-0.1 -5,-0.1 -40,-0.0 -2,-0.0 0.343 80.4 141.1 -92.4 5.3 52.4 17.9 21.0 78 75 A L < - 0 0 2 -3,-1.6 2,-0.3 -6,-0.2 -41,-0.2 -0.221 44.5-141.1 -52.7 128.9 51.3 15.7 18.1 79 76 A L E -g 37 0B 54 -43,-2.8 -41,-2.6 -47,-0.1 2,-0.4 -0.746 15.4-152.7 -95.5 143.3 51.2 17.7 14.8 80 77 A L E -g 38 0B 46 -2,-0.3 2,-0.5 -43,-0.2 -41,-0.2 -0.952 14.0-166.9-125.4 133.5 48.4 17.1 12.4 81 78 A A E -g 39 0B 9 -43,-2.4 -41,-2.3 -2,-0.4 2,-0.3 -0.974 24.2-136.7-113.8 128.2 48.1 17.5 8.6 82 79 A Q E -g 40 0B 116 -2,-0.5 -41,-0.2 -43,-0.2 2,-0.1 -0.668 15.2-117.6 -89.4 135.9 44.5 17.3 7.2 83 80 A V - 0 0 6 -43,-3.0 -41,-0.3 -2,-0.3 9,-0.1 -0.463 46.7 -98.3 -62.9 138.2 43.5 15.4 4.1 84 81 A R E -J 91 0C 114 7,-0.5 7,-3.5 -2,-0.1 2,-0.5 -0.297 35.3-143.6 -62.3 142.4 42.2 17.9 1.6 85 82 A E E +J 90 0C 107 5,-0.3 2,-0.4 -3,-0.1 5,-0.2 -0.950 21.9 174.7-111.7 126.3 38.5 18.2 1.4 86 83 A S E > -J 89 0C 25 3,-3.1 3,-1.2 -2,-0.5 260,-0.1 -0.994 67.8 -7.2-134.0 128.5 36.8 18.8 -1.9 87 84 A R T 3 S- 0 0 62 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.832 130.3 -53.5 58.7 34.7 33.0 18.9 -2.6 88 85 A G T 3 S+ 0 0 33 1,-0.2 2,-0.3 254,-0.0 -1,-0.3 0.573 122.3 87.1 81.3 9.9 32.3 17.8 1.0 89 86 A K E < S-J 86 0C 15 -3,-1.2 -3,-3.1 253,-0.1 -1,-0.2 -0.955 86.5 -87.2-138.1 158.7 34.5 14.7 0.9 90 87 A A E -J 85 0C 10 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.395 38.9-153.0 -61.8 136.5 38.1 13.8 1.5 91 88 A N E -J 84 0C 6 -7,-3.5 -7,-0.5 -2,-0.1 3,-0.3 -0.971 13.4-172.2-118.7 121.3 40.3 14.2 -1.6 92 89 A L > + 0 0 50 -2,-0.5 4,-2.1 1,-0.2 3,-0.4 0.160 49.4 116.7 -99.3 19.0 43.4 12.0 -1.9 93 90 A T H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.864 70.3 55.0 -57.8 -44.0 44.8 13.7 -5.0 94 91 A K H > S+ 0 0 49 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.898 112.0 44.2 -57.9 -41.6 48.0 14.9 -3.4 95 92 A Y H > S+ 0 0 2 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.853 112.3 51.4 -75.3 -36.0 49.0 11.4 -2.2 96 93 A R H X S+ 0 0 73 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.923 113.3 45.5 -63.1 -45.2 48.0 9.8 -5.5 97 94 A E H X S+ 0 0 99 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.887 112.2 51.0 -66.2 -39.7 50.2 12.3 -7.4 98 95 A A H X S+ 0 0 2 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.888 107.3 55.0 -62.0 -39.3 53.0 11.8 -4.8 99 96 A S H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.885 102.5 56.4 -59.8 -40.7 52.6 8.1 -5.5 100 97 A V H X S+ 0 0 68 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.877 101.2 57.5 -60.6 -38.9 53.2 8.7 -9.2 101 98 A E H X S+ 0 0 63 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.938 112.5 40.5 -54.6 -49.1 56.5 10.4 -8.4 102 99 A V H X S+ 0 0 3 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.917 114.8 51.0 -67.7 -45.8 57.7 7.3 -6.7 103 100 A M H X S+ 0 0 6 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.897 108.6 51.2 -60.9 -43.4 56.2 4.8 -9.2 104 101 A E H < S+ 0 0 115 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.888 110.2 49.6 -63.6 -39.9 57.8 6.6 -12.2 105 102 A I H >X S+ 0 0 9 -4,-1.5 3,-1.2 -5,-0.3 4,-0.5 0.931 112.4 47.3 -62.7 -46.9 61.2 6.5 -10.6 106 103 A M H >X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.3 3,-1.1 0.848 102.0 64.4 -63.8 -33.0 60.9 2.8 -9.8 107 104 A S H 3< S+ 0 0 43 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.644 90.9 67.6 -64.7 -24.9 59.7 2.1 -13.3 108 105 A R H <4 S+ 0 0 143 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.859 104.2 42.0 -62.2 -37.0 63.1 3.2 -14.6 109 106 A F H << S- 0 0 61 -3,-1.1 2,-0.3 -4,-0.5 -2,-0.2 0.879 130.2 -25.3 -80.9 -40.9 64.9 0.2 -13.0 110 107 A A S < S- 0 0 19 -4,-1.5 -1,-0.3 16,-0.0 2,-0.2 -0.979 78.6 -69.0-162.5 167.2 62.4 -2.5 -13.8 111 108 A V - 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0 0 21 -4,-1.4 2,-0.8 -3,-0.2 3,-0.1 -0.170 63.7-145.8 -59.1 138.5 79.1 -15.3 -0.6 178 179 A Q > - 0 0 117 1,-0.2 3,-0.6 3,-0.1 6,-0.2 -0.867 16.8-176.7-101.1 96.6 80.6 -17.0 -3.6 179 180 A I T 3 S+ 0 0 52 -2,-0.8 -42,-0.3 1,-0.2 -41,-0.2 0.862 72.4 66.5 -60.0 -37.0 81.0 -14.1 -6.1 180 181 A D T 3 S+ 0 0 99 -43,-0.2 2,-0.8 -3,-0.1 -1,-0.2 0.813 83.5 76.6 -63.0 -34.8 82.3 -16.3 -8.9 181 182 A N < - 0 0 64 -3,-0.6 3,-0.5 1,-0.2 6,-0.1 -0.684 59.3-168.4 -86.9 111.2 79.2 -18.4 -9.5 182 183 A L S S+ 0 0 71 -2,-0.8 -1,-0.2 1,-0.2 -50,-0.1 0.814 82.3 59.6 -63.6 -37.5 76.6 -16.4 -11.4 183 184 A T S S+ 0 0 99 4,-0.1 -1,-0.2 5,-0.0 5,-0.1 0.817 72.6 116.4 -63.2 -37.8 73.8 -18.9 -10.8 184 185 A S > - 0 0 24 -3,-0.5 4,-2.1 -6,-0.2 5,-0.1 -0.077 57.6-147.5 -45.8 125.3 73.8 -18.8 -6.9 185 186 A P H > S+ 0 0 33 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.875 97.6 54.1 -59.5 -43.9 70.4 -17.5 -5.6 186 187 A D H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.915 109.6 47.6 -59.7 -44.9 72.0 -15.8 -2.6 187 188 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 111.5 51.7 -60.2 -43.0 74.4 -13.9 -4.8 188 189 A Q H X S+ 0 0 18 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.909 109.7 48.5 -61.7 -44.0 71.5 -13.0 -7.0 189 190 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.905 110.5 52.8 -60.2 -42.1 69.6 -11.7 -4.0 190 191 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.923 110.9 44.7 -61.6 -47.1 72.7 -9.7 -2.9 191 192 A V H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.888 111.5 54.5 -63.7 -39.3 73.0 -8.0 -6.3 192 193 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.880 105.8 53.0 -59.1 -38.4 69.3 -7.4 -6.2 193 194 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.866 104.7 55.2 -65.0 -37.9 69.8 -5.7 -2.9 194 195 A V H X S+ 0 0 9 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.929 109.3 46.7 -59.7 -46.7 72.5 -3.5 -4.4 195 196 A I H X S+ 0 0 6 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.887 109.1 54.6 -63.4 -40.4 70.1 -2.3 -7.1 196 197 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.878 105.0 54.1 -62.0 -38.3 67.4 -1.7 -4.4 197 198 A E H X S+ 0 0 16 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.934 111.9 44.5 -56.9 -47.0 69.9 0.5 -2.6 198 199 A E H X S+ 0 0 73 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.894 113.1 51.6 -65.0 -39.9 70.3 2.5 -5.8 199 200 A M H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.911 112.6 45.0 -62.3 -42.8 66.5 2.5 -6.3 200 201 A R H X S+ 0 0 14 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.852 111.1 52.0 -74.3 -35.1 65.9 3.8 -2.8 201 202 A A H X S+ 0 0 58 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.908 110.1 50.2 -65.5 -42.0 68.6 6.4 -3.1 202 203 A A H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.892 110.0 50.9 -62.5 -41.4 67.1 7.6 -6.3 203 204 A I H X>S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 6,-0.7 0.945 114.1 42.7 -61.6 -49.5 63.6 7.8 -4.7 204 205 A E H X5S+ 0 0 76 -4,-2.3 4,-2.0 3,-0.2 -2,-0.2 0.924 116.3 47.5 -64.9 -46.0 64.8 9.8 -1.7 205 206 A R H <5S+ 0 0 195 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.921 119.1 39.3 -60.0 -44.7 67.0 12.2 -3.8 206 207 A E H <5S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.738 134.8 16.8 -84.9 -24.2 64.4 12.8 -6.4 207 208 A T H <5S- 0 0 7 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.626 90.1-125.5-118.9 -24.0 61.3 13.1 -4.1 208 209 A G << + 0 0 45 -4,-2.0 2,-0.5 -5,-0.6 -4,-0.2 0.516 68.9 131.2 84.1 5.9 62.6 13.6 -0.6 209 210 A F - 0 0 1 -6,-0.7 -1,-0.3 -182,-0.0 2,-0.3 -0.808 49.9-144.4 -95.5 128.6 60.6 10.6 0.4 210 211 A Q + 0 0 65 -2,-0.5 -192,-2.1 -192,-0.2 2,-0.3 -0.676 24.2 177.4 -89.1 146.6 62.3 7.8 2.5 211 212 A C E -B 17 0A 2 -2,-0.3 2,-0.3 -194,-0.3 -194,-0.3 -0.915 21.6-137.0-142.7 167.2 61.3 4.2 1.9 212 213 A S E -B 16 0A 0 -196,-2.9 -196,-3.2 -2,-0.3 2,-0.3 -0.876 20.1-164.0-124.0 160.1 62.0 0.7 3.0 213 214 A A E -Bf 15 234A 0 20,-1.1 22,-2.7 -2,-0.3 2,-0.4 -0.987 15.4-147.2-146.5 153.1 62.3 -2.5 0.9 214 215 A G E -Bf 14 235A 0 -200,-2.1 -200,-2.1 -2,-0.3 2,-0.5 -0.986 13.0-160.2-119.6 130.8 62.4 -6.3 1.1 215 216 A I E +Bf 13 236A 0 20,-2.4 22,-2.2 -2,-0.4 2,-0.2 -0.950 33.8 124.7-112.6 121.6 64.5 -8.4 -1.3 216 217 A S E S-B 12 0A 0 -204,-3.3 -204,-4.4 -2,-0.5 22,-0.1 -0.846 70.0 -87.7-155.0-170.4 63.6 -12.0 -1.7 217 218 A H S S+ 0 0 3 20,-0.3 -207,-0.4 -206,-0.2 2,-0.3 0.509 104.5 24.2 -90.7 -5.7 62.7 -14.7 -4.2 218 219 A N S > S- 0 0 0 -206,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.963 82.1-103.4-153.0 169.6 58.9 -13.9 -4.1 219 220 A K H > S+ 0 0 11 88,-0.5 4,-2.7 -2,-0.3 5,-0.2 0.905 114.6 50.6 -64.7 -46.1 56.4 -11.2 -3.3 220 221 A V H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 114.7 43.4 -59.1 -47.3 55.2 -12.6 0.1 221 222 A L H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.871 113.4 51.6 -67.9 -38.1 58.8 -12.9 1.4 222 223 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -208,-0.3 0.930 112.2 46.8 -62.5 -45.6 59.8 -9.5 -0.1 223 224 A K H X S+ 0 0 63 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.923 113.9 46.9 -61.8 -47.7 56.8 -7.8 1.6 224 225 A L H X S+ 0 0 23 -4,-2.5 4,-0.8 1,-0.2 3,-0.4 0.921 112.6 50.9 -60.1 -45.3 57.5 -9.5 4.9 225 226 A A H >X S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 4,-0.6 0.880 102.3 60.6 -60.3 -42.0 61.2 -8.6 4.7 226 227 A C H >< S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.3 4,-0.2 0.869 104.1 49.7 -55.2 -40.4 60.4 -5.0 4.0 227 228 A G H >< S+ 0 0 48 -4,-1.2 3,-0.7 -3,-0.4 -1,-0.3 0.723 92.9 78.5 -72.9 -21.5 58.6 -4.6 7.3 228 229 A L H << S+ 0 0 59 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.826 107.6 21.3 -60.8 -37.4 61.4 -6.2 9.4 229 230 A N T << S+ 0 0 15 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.1 0.152 93.5 179.3-125.0 20.7 63.7 -3.1 9.5 230 231 A K < + 0 0 50 -3,-0.7 2,-0.1 -4,-0.2 4,-0.1 -0.313 41.5 57.1 -56.8 149.1 61.5 -0.1 8.8 231 232 A P S S- 0 0 51 0, 0.0 3,-0.1 0, 0.0 -19,-0.1 0.589 122.6 -18.3-100.6 169.0 61.9 2.7 8.6 232 233 A N S S+ 0 0 36 1,-0.2 2,-0.3 -2,-0.1 -20,-0.2 0.769 110.6 100.8 58.0 31.2 64.5 3.9 6.1 233 234 A R - 0 0 76 -7,-0.2 -20,-1.1 -23,-0.0 2,-0.4 -0.972 59.2-142.7-141.9 155.8 66.1 0.4 5.8 234 235 A Q E -ef 148 213A 0 -87,-2.1 -85,-2.6 -2,-0.3 2,-0.4 -0.960 12.7-154.8-122.9 142.2 66.0 -2.6 3.5 235 236 A T E -ef 149 214A 0 -22,-2.7 -20,-2.4 -2,-0.4 2,-0.7 -0.950 5.9-149.5-122.0 130.8 66.1 -6.2 4.4 236 237 A L E -ef 150 215A 0 -87,-3.4 -85,-1.7 -2,-0.4 2,-0.7 -0.870 11.0-166.1 -97.3 115.7 67.3 -9.2 2.4 237 238 A V - 0 0 0 -22,-2.2 -20,-0.3 -2,-0.7 -12,-0.1 -0.892 11.7-158.2-103.1 107.2 65.4 -12.4 3.3 238 239 A S - 0 0 10 -2,-0.7 4,-0.4 -87,-0.3 3,-0.3 -0.312 28.5-113.2 -77.5 164.2 67.3 -15.4 1.8 239 240 A H S > S+ 0 0 44 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.893 117.4 54.9 -61.2 -40.9 65.7 -18.8 1.1 240 241 A G T 3 S+ 0 0 56 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.773 99.8 59.2 -65.8 -28.1 67.9 -20.3 3.8 241 242 A S T 3> S+ 0 0 14 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.600 83.3 88.2 -77.7 -10.9 66.7 -17.9 6.5 242 243 A V H <> S+ 0 0 4 -3,-1.2 4,-3.8 -4,-0.4 5,-0.3 0.896 79.9 54.1 -59.1 -49.2 63.0 -18.9 6.0 243 244 A P H > S+ 0 0 89 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.934 116.0 38.1 -53.8 -52.3 62.9 -21.9 8.5 244 245 A Q H > S+ 0 0 141 -4,-0.4 4,-0.7 2,-0.2 -2,-0.2 0.903 119.5 49.0 -65.2 -42.0 64.2 -19.8 11.5 245 246 A L H >< S+ 0 0 17 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.933 116.1 41.4 -62.1 -48.3 62.2 -16.7 10.4 246 247 A F H >< S+ 0 0 1 -4,-3.8 29,-2.0 1,-0.2 3,-1.1 0.700 96.8 80.3 -73.9 -20.1 58.9 -18.6 9.9 247 248 A S H 3< S+ 0 0 56 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.845 110.7 21.0 -59.2 -36.9 59.4 -20.7 13.0 248 249 A Q T << S+ 0 0 152 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.123 97.0 120.3-116.7 18.5 58.2 -17.9 15.3 249 250 A M < - 0 0 21 -3,-1.1 25,-2.7 -5,-0.1 26,-0.2 -0.768 65.1-126.1 -90.7 115.0 56.3 -16.0 12.6 250 251 A P B > -K 273 0D 29 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.313 17.6-126.6 -56.9 138.3 52.5 -15.6 13.4 251 252 A I G > S+ 0 0 0 21,-1.8 3,-1.3 1,-0.3 6,-0.2 0.841 106.8 64.2 -57.9 -36.6 50.4 -16.8 10.5 252 253 A R G 3 S+ 0 0 145 1,-0.3 -1,-0.3 20,-0.2 5,-0.2 0.715 89.7 70.6 -61.2 -19.8 48.5 -13.5 10.3 253 254 A K G < S+ 0 0 109 -3,-1.7 -1,-0.3 4,-0.1 -2,-0.2 0.832 78.1 88.9 -69.2 -33.5 51.8 -11.8 9.4 254 255 A I S X S- 0 0 2 -3,-1.3 3,-2.3 -4,-0.5 4,-0.1 -0.452 96.5 -96.0 -68.1 137.4 51.9 -13.4 5.9 255 256 A R T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -35,-0.2 -2,-0.1 -0.291 109.5 15.5 -61.9 131.3 50.1 -11.3 3.3 256 257 A S T 3 S+ 0 0 74 -4,-0.2 -1,-0.3 -3,-0.1 3,-0.3 0.280 108.7 84.7 86.6 -5.5 46.5 -12.5 2.7 257 258 A L < + 0 0 1 -3,-2.3 -2,-0.2 -5,-0.2 -3,-0.1 0.216 62.2 94.0-104.0 10.6 46.5 -14.5 5.9 258 259 A G S S+ 0 0 59 -4,-0.1 -1,-0.1 -5,-0.1 -6,-0.1 0.695 85.3 39.3 -77.0 -20.6 45.6 -11.5 8.0 259 260 A G S > S- 0 0 50 -3,-0.3 4,-1.7 -7,-0.0 5,-0.1 0.261 117.5 -36.4-106.1-136.0 41.8 -12.2 7.9 260 261 A K H > S+ 0 0 192 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.890 128.9 54.0 -62.0 -45.3 39.4 -15.1 8.1 261 262 A L H > S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.923 109.0 48.9 -58.1 -46.6 41.5 -17.6 6.2 262 263 A G H > S+ 0 0 2 -6,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 112.5 49.7 -58.7 -39.6 44.5 -17.0 8.5 263 264 A A H X S+ 0 0 56 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.910 112.1 45.7 -66.8 -44.5 42.1 -17.5 11.4 264 265 A S H X S+ 0 0 37 -4,-2.9 4,-3.7 2,-0.2 5,-0.4 0.897 110.3 54.9 -66.3 -40.9 40.6 -20.7 10.1 265 266 A V H X S+ 0 0 0 -4,-3.0 4,-1.7 -5,-0.2 6,-0.3 0.940 114.5 40.6 -54.1 -49.3 44.1 -22.0 9.2 266 267 A I H X>S+ 0 0 57 -4,-2.2 4,-1.2 -5,-0.2 5,-0.9 0.913 119.6 45.9 -64.2 -44.9 45.1 -21.3 12.9 267 268 A E H <5S+ 0 0 150 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.909 116.6 41.0 -68.1 -46.2 41.8 -22.7 14.2 268 269 A I H <5S+ 0 0 82 -4,-3.7 -1,-0.2 1,-0.2 -3,-0.2 0.875 124.2 35.5 -73.9 -39.1 41.5 -25.9 12.1 269 270 A L H <5S- 0 0 23 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.561 99.5-131.1 -93.7 -10.8 45.2 -26.9 12.3 270 271 A G T <5 + 0 0 63 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.896 61.8 128.1 61.5 43.5 45.8 -25.7 15.9 271 272 A I < - 0 0 5 -5,-0.9 -1,-0.2 -6,-0.3 -2,-0.1 -0.888 45.4-167.1-128.4 159.8 49.0 -23.9 15.0 272 273 A E + 0 0 125 -2,-0.3 -21,-1.8 -3,-0.1 2,-0.3 0.660 67.2 64.1-113.7 -28.6 50.3 -20.4 15.6 273 274 A Y B > S-K 250 0D 73 -23,-0.2 3,-0.8 1,-0.1 4,-0.4 -0.753 73.0-128.2-112.7 149.6 53.4 -20.1 13.3 274 275 A M G > S+ 0 0 0 -25,-2.7 3,-1.7 -28,-0.3 4,-0.2 0.872 107.5 60.6 -54.9 -41.1 54.0 -20.2 9.6 275 276 A G G > S+ 0 0 16 -29,-2.0 3,-2.0 1,-0.3 4,-0.3 0.819 90.3 67.5 -59.8 -34.2 56.6 -22.9 10.0 276 277 A E G X S+ 0 0 58 -3,-0.8 3,-1.3 -30,-0.3 -1,-0.3 0.693 83.7 76.3 -61.8 -18.1 54.2 -25.4 11.5 277 278 A L G X S+ 0 0 0 -3,-1.7 3,-1.6 -4,-0.4 -1,-0.3 0.739 77.9 73.5 -65.2 -23.2 52.5 -25.5 8.1 278 279 A T G < S+ 0 0 63 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.774 82.0 70.5 -62.1 -26.1 55.3 -27.7 6.8 279 280 A Q G < S+ 0 0 117 -3,-1.3 2,-0.4 -4,-0.3 -1,-0.3 0.607 88.0 78.9 -70.3 -11.5 54.0 -30.7 8.8 280 281 A F S < S- 0 0 35 -3,-1.6 2,-0.0 -4,-0.1 -3,-0.0 -0.796 81.3-119.2-104.8 142.3 50.9 -31.0 6.6 281 282 A T > - 0 0 75 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.338 28.9-114.0 -68.4 156.1 50.7 -32.7 3.2 282 283 A E H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.886 120.3 52.2 -58.8 -38.9 49.6 -30.5 0.3 283 284 A S H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 106.7 52.8 -62.7 -44.2 46.4 -32.6 0.1 284 285 A Q H > S+ 0 0 92 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.933 112.9 43.3 -56.7 -49.2 45.7 -32.1 3.8 285 286 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.890 112.8 53.7 -64.6 -40.1 46.0 -28.3 3.4 286 287 A Q H X S+ 0 0 48 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.880 104.5 54.9 -61.7 -40.0 43.9 -28.4 0.2 287 288 A S H < S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.909 115.6 36.9 -62.6 -43.3 41.1 -30.3 1.9 288 289 A H H < S+ 0 0 100 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.898 133.6 22.2 -75.8 -42.3 40.6 -27.7 4.6 289 290 A F H < S- 0 0 12 -4,-2.5 4,-0.4 1,-0.3 -2,-0.2 0.275 114.0 -98.5-116.2 9.3 41.3 -24.5 2.7 290 291 A G X - 0 0 35 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.3 -0.038 41.6 -72.5 92.1 163.4 40.6 -25.5 -0.9 291 292 A E H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.911 128.1 40.4 -61.1 -49.9 42.8 -26.5 -3.9 292 293 A K H > S+ 0 0 164 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 119.8 44.0 -69.2 -46.2 44.3 -23.1 -4.6 293 294 A N H > S+ 0 0 56 -4,-0.4 4,-3.0 2,-0.2 5,-0.2 0.899 112.2 53.5 -64.5 -42.3 44.8 -22.1 -1.0 294 295 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.914 110.7 44.9 -60.6 -46.9 46.2 -25.4 0.0 295 296 A S H X S+ 0 0 37 -4,-1.8 4,-2.2 -5,-0.2 5,-0.3 0.904 114.5 50.2 -62.9 -42.1 48.8 -25.5 -2.7 296 297 A W H X S+ 0 0 52 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.916 112.8 45.8 -63.1 -44.5 49.7 -21.9 -1.9 297 298 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.903 110.9 52.7 -65.5 -42.8 50.0 -22.6 1.8 298 299 A Y H < S+ 0 0 58 -4,-2.5 4,-0.2 -5,-0.2 -2,-0.2 0.922 118.1 36.2 -59.9 -46.3 52.1 -25.7 1.2 299 300 A A H ><>S+ 0 0 17 -4,-2.2 5,-2.6 -5,-0.2 3,-0.9 0.875 115.1 56.4 -73.3 -38.4 54.6 -23.9 -1.0 300 301 A M H ><5S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.873 99.6 55.5 -67.1 -41.6 54.5 -20.7 1.0 301 302 A C T 3<5S+ 0 0 5 -4,-2.2 -1,-0.3 1,-0.3 -23,-0.2 0.653 106.9 55.4 -66.0 -12.9 55.4 -22.1 4.4 302 303 A R T < 5S- 0 0 70 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.241 126.3-104.6-100.1 9.9 58.5 -23.4 2.6 303 304 A G T < 5S+ 0 0 1 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.683 83.2 127.7 75.4 19.4 59.4 -19.9 1.4 304 305 A I < + 0 0 21 -5,-2.6 2,-0.3 -8,-0.1 -2,-0.2 -0.936 24.7 158.1-116.0 124.0 58.1 -20.7 -2.1 305 306 A E - 0 0 12 -2,-0.5 -86,-0.1 -298,-0.2 -9,-0.0 -0.997 23.2-166.9-142.6 140.9 55.5 -18.6 -4.0 306 307 A H + 0 0 134 -2,-0.3 -1,-0.1 -88,-0.1 -10,-0.0 0.464 42.9 130.0-107.3 -4.2 54.9 -18.4 -7.7 307 308 A D - 0 0 58 1,-0.1 -88,-0.5 3,-0.0 -87,-0.1 -0.354 56.0-133.6 -55.5 118.9 52.7 -15.3 -7.9 308 309 A P - 0 0 70 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.358 16.6-105.3 -76.0 154.0 54.4 -13.2 -10.7 309 310 A V - 0 0 14 -2,-0.1 -186,-0.1 -198,-0.0 -198,-0.0 -0.726 43.9-136.8 -76.7 104.0 55.1 -9.5 -10.4 310 311 A K - 0 0 81 -2,-1.0 2,-1.7 1,-0.1 -189,-0.1 -0.384 9.6-123.1 -65.6 137.9 52.4 -8.1 -12.7 311 312 A P + 0 0 109 0, 0.0 2,-0.3 0, 0.0 -198,-0.2 -0.631 65.7 130.1 -79.3 82.2 53.4 -5.4 -15.1 312 313 A R B +d 113 0A 73 -2,-1.7 -198,-2.9 -200,-1.1 -2,-0.1 -0.839 23.4 164.1-143.9 100.1 50.9 -2.8 -13.9 313 314 A Q + 0 0 67 -2,-0.3 -1,-0.1 -200,-0.2 -200,-0.1 0.842 67.1 60.2 -82.3 -35.5 51.9 0.7 -13.0 314 315 A L S S- 0 0 58 1,-0.1 -200,-0.1 44,-0.1 2,-0.1 -0.610 91.5-101.6 -98.0 152.3 48.4 2.2 -13.1 315 316 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.425 22.6-139.5 -62.6 142.8 45.3 1.3 -11.0 316 317 A K S S+ 0 0 143 -2,-0.1 112,-0.4 1,-0.1 2,-0.3 0.774 85.4 35.0 -76.0 -26.8 42.8 -0.8 -12.9 317 318 A T - 0 0 71 109,-0.1 2,-0.5 110,-0.1 109,-0.2 -0.924 64.6-149.7-128.9 151.8 39.9 1.2 -11.4 318 319 A I E +L 425 0E 12 107,-2.0 107,-3.4 -2,-0.3 2,-0.3 -0.981 31.8 178.1-120.2 117.9 39.3 4.8 -10.5 319 320 A G E -L 424 0E 18 -2,-0.5 2,-0.4 105,-0.3 105,-0.3 -0.888 24.1-167.7-129.1 149.0 36.8 5.2 -7.6 320 321 A C E +L 423 0E 2 103,-3.8 103,-3.6 -2,-0.3 2,-0.3 -0.995 21.3 160.8-129.1 140.4 35.1 7.7 -5.4 321 322 A S E -L 422 0E 59 -2,-0.4 2,-0.3 101,-0.2 101,-0.2 -0.992 16.8-170.5-156.3 153.6 33.2 6.9 -2.3 322 323 A K E -L 421 0E 30 99,-2.3 99,-2.5 -2,-0.3 2,-0.3 -0.997 17.3-136.2-145.0 141.0 31.8 8.5 0.9 323 324 A N E -L 420 0E 104 -2,-0.3 97,-0.3 97,-0.2 96,-0.1 -0.748 6.9-166.0 -95.0 145.8 30.3 7.1 4.0 324 325 A F - 0 0 7 95,-5.6 6,-0.1 -2,-0.3 96,-0.1 -0.663 25.4-166.0-127.6 75.1 27.2 8.6 5.7 325 326 A P > - 0 0 86 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.231 42.3 -38.6 -72.2 147.9 27.3 6.8 9.1 326 327 A G G > S+ 0 0 44 1,-0.3 3,-1.4 2,-0.2 46,-0.1 -0.099 132.1 12.5 47.9-116.1 24.5 6.7 11.7 327 328 A K G 3 S+ 0 0 203 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.793 123.3 63.0 -63.7 -30.5 22.6 10.0 11.9 328 329 A T G < S+ 0 0 76 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.508 72.1 130.2 -78.2 -4.6 24.2 11.4 8.7 329 330 A A < - 0 0 11 -3,-1.4 2,-0.5 -4,-0.2 90,-0.2 -0.194 68.0-108.9 -51.7 139.0 22.6 8.8 6.5 330 331 A L E +M 418 0E 0 88,-1.6 88,-2.1 1,-0.1 -1,-0.1 -0.618 42.2 169.3 -79.1 119.2 20.9 10.3 3.5 331 332 A A E + 0 0 29 -2,-0.5 83,-4.1 86,-0.2 2,-0.3 0.286 54.5 71.5-114.4 7.9 17.1 10.0 3.8 332 333 A T E > S-M 413 0E 42 81,-0.3 4,-2.0 1,-0.1 81,-0.2 -0.956 73.7-132.6-126.7 148.2 16.0 12.2 0.9 333 334 A R H > S+ 0 0 64 79,-0.8 4,-2.3 -2,-0.3 5,-0.2 0.890 109.2 53.8 -61.7 -41.5 16.1 11.7 -2.8 334 335 A E H > S+ 0 0 123 78,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.840 107.7 52.5 -62.1 -37.1 17.6 15.2 -3.4 335 336 A Q H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.930 108.3 48.7 -63.4 -50.2 20.3 14.4 -0.9 336 337 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.907 112.7 49.6 -57.3 -43.4 21.3 11.2 -2.6 337 338 A Q H X S+ 0 0 55 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.887 109.0 51.1 -65.4 -40.9 21.4 13.0 -6.0 338 339 A W H X S+ 0 0 128 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.916 113.5 44.3 -64.4 -43.6 23.6 15.8 -4.7 339 340 A W H X S+ 0 0 39 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.892 110.7 53.7 -69.7 -40.7 26.1 13.5 -3.2 340 341 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.905 109.8 50.8 -55.4 -41.2 26.1 11.3 -6.3 341 342 A L H X S+ 0 0 31 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.892 108.2 50.6 -64.6 -41.5 26.9 14.5 -8.2 342 343 A Q H X S+ 0 0 16 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.924 114.0 44.4 -63.5 -44.7 29.7 15.4 -5.9 343 344 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.913 113.3 51.7 -63.1 -44.0 31.3 12.0 -6.3 344 345 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.877 107.6 52.6 -61.8 -39.8 30.6 12.1 -10.1 345 346 A Q H X S+ 0 0 57 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.922 112.0 43.6 -64.8 -46.1 32.3 15.5 -10.4 346 347 A E H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.922 114.4 51.4 -63.7 -43.8 35.5 14.4 -8.6 347 348 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 -2,-0.2 0.905 108.2 52.4 -57.8 -43.2 35.5 11.1 -10.6 348 349 A E H X S+ 0 0 60 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.895 109.2 48.7 -62.0 -42.1 35.1 13.2 -13.8 349 350 A E H X S+ 0 0 113 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.910 116.0 43.6 -63.5 -43.0 38.1 15.3 -13.0 350 351 A R H X S+ 0 0 40 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.894 114.4 49.8 -70.1 -41.0 40.2 12.2 -12.2 351 352 A L H X S+ 0 0 0 -4,-3.4 4,-2.3 -5,-0.2 -2,-0.2 0.904 110.9 49.8 -63.1 -42.8 38.9 10.3 -15.3 352 353 A T H X S+ 0 0 41 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.908 112.9 45.6 -64.7 -43.0 39.7 13.3 -17.5 353 354 A K H X S+ 0 0 104 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.885 111.6 53.8 -66.2 -38.0 43.2 13.6 -16.2 354 355 A D H X S+ 0 0 11 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.904 106.5 51.7 -61.5 -43.1 43.6 9.8 -16.5 355 356 A R H X S+ 0 0 91 -4,-2.3 4,-1.4 2,-0.2 5,-0.3 0.909 113.8 43.2 -62.4 -44.2 42.6 9.9 -20.1 356 357 A N H < S+ 0 0 113 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.928 122.5 38.3 -66.0 -46.6 45.2 12.6 -21.0 357 358 A D H < S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.899 129.1 27.7 -71.5 -42.6 48.0 11.0 -18.9 358 359 A N H < S- 0 0 48 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.375 93.4-125.0-111.9 2.8 47.4 7.4 -19.6 359 360 A D S < S+ 0 0 107 -4,-1.4 72,-1.4 -5,-0.3 2,-0.3 0.926 71.4 108.7 53.5 52.5 45.7 7.2 -23.1 360 361 A R E -N 430 0E 33 -5,-0.3 2,-0.4 70,-0.3 70,-0.2 -0.992 51.7-150.3-154.1 156.2 42.7 5.2 -21.9 361 362 A V E -N 429 0E 34 68,-3.1 68,-3.0 -2,-0.3 2,-0.5 -0.979 20.3-125.1-130.2 144.1 39.0 5.5 -21.3 362 363 A A E -N 428 0E 3 -2,-0.4 66,-0.2 66,-0.3 65,-0.2 -0.766 20.2-175.2 -87.1 128.9 36.7 3.8 -18.8 363 364 A T E + 0 0 62 64,-1.4 23,-2.8 63,-0.7 2,-0.4 0.540 63.6 59.4-100.7 -10.4 33.7 2.1 -20.5 364 365 A Q E -NO 426 385E 30 62,-2.1 62,-2.8 21,-0.3 2,-0.5 -0.961 60.1-158.2-127.4 139.8 31.9 1.0 -17.4 365 366 A L E -NO 425 384E 1 19,-3.2 19,-2.8 -2,-0.4 2,-0.5 -0.957 9.9-160.2-113.8 129.2 30.4 2.8 -14.4 366 367 A V E -NO 424 383E 7 58,-3.3 58,-2.7 -2,-0.5 2,-0.5 -0.935 2.9-165.8-111.8 127.2 29.9 0.9 -11.1 367 368 A V E +NO 423 382E 0 15,-3.9 15,-2.8 -2,-0.5 2,-0.4 -0.946 9.9 178.2-113.0 126.6 27.5 2.3 -8.5 368 369 A S E +NO 422 381E 6 54,-3.2 54,-3.0 -2,-0.5 2,-0.3 -0.985 1.8 172.3-129.7 139.9 27.5 0.8 -5.0 369 370 A I E -NO 421 380E 0 11,-2.0 11,-2.1 -2,-0.4 10,-2.1 -0.927 20.5-143.4-139.0 163.6 25.5 1.8 -1.9 370 371 A R E -N 420 0E 69 50,-1.8 49,-2.1 -2,-0.3 50,-1.3 -0.999 12.9-146.5-128.8 133.9 24.8 0.6 1.6 371 372 A V E > -N 418 0E 29 -2,-0.4 3,-1.8 47,-0.3 47,-0.2 -0.711 38.5 -88.3 -95.5 152.3 21.4 0.8 3.4 372 373 A Q T 3 S+ 0 0 81 45,-2.0 3,-0.1 -2,-0.3 -1,-0.1 -0.305 111.5 21.2 -62.9 135.8 21.3 1.5 7.2 373 374 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.391 88.4 133.6 89.3 -3.9 21.4 -1.6 9.3 374 375 A D < - 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