==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION/DNA 15-DEC-09 3L2Q . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN SPUMARETROVIRUS; . AUTHOR S.HARE,S.S.GUPTA,P.CHEREPANOV . 528 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 . 24 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 3 0 0 3 1 4 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 1 1 2 2 4 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 . 1 0 1 3 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 10 A A > 0 0 119 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -51.1 -80.5 15.8 -61.5 2 11 A E T 3 + 0 0 57 1,-0.2 4,-0.4 2,-0.2 3,-0.1 0.573 360.0 65.3 -72.8 -13.1 -81.5 19.2 -59.8 3 12 A L T 3> S+ 0 0 13 1,-0.2 4,-1.0 2,-0.1 -1,-0.2 0.395 82.0 79.7 -92.8 0.2 -79.9 21.1 -62.8 4 13 A D H X> S+ 0 0 96 -3,-1.1 4,-0.8 1,-0.2 3,-0.6 0.983 90.9 49.5 -63.8 -58.0 -82.5 19.6 -65.2 5 14 A Q H 34>S+ 0 0 87 -4,-0.4 5,-1.8 1,-0.2 4,-0.4 0.775 104.3 62.6 -52.3 -33.9 -85.3 22.1 -64.1 6 15 A L H >45S+ 0 0 7 -4,-0.4 3,-2.0 1,-0.2 15,-0.3 0.912 95.8 54.0 -64.5 -51.0 -82.9 25.1 -64.5 7 16 A L H <<5S+ 0 0 68 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.769 104.7 58.0 -55.4 -30.0 -82.2 24.8 -68.3 8 17 A Q T 3<5S- 0 0 121 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.638 122.1-106.2 -77.7 -16.0 -86.0 24.8 -68.9 9 18 A G T < 5S+ 0 0 36 -3,-2.0 2,-0.4 -4,-0.4 -3,-0.2 0.675 71.3 142.5 94.8 21.5 -86.3 28.2 -67.1 10 19 A H < - 0 0 122 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.794 53.8-108.3 -92.0 138.0 -87.9 27.0 -63.9 11 20 A Y - 0 0 155 -2,-0.4 2,-0.4 3,-0.0 -1,-0.1 -0.342 30.7-170.1 -72.1 142.7 -86.7 28.8 -60.7 12 21 A I B > -A 15 0A 35 3,-0.5 3,-3.3 -2,-0.1 -1,-0.0 -0.994 36.3-101.3-133.2 128.5 -84.5 27.2 -58.0 13 22 A K T 3 S+ 0 0 87 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.215 112.2 19.1 -48.5 113.7 -83.7 28.8 -54.6 14 23 A G T 3 S+ 0 0 37 1,-0.1 -1,-0.3 59,-0.0 61,-0.1 0.225 98.4 103.3 106.4 -11.7 -80.2 30.3 -55.0 15 24 A Y B < -A 12 0A 9 -3,-3.3 -3,-0.5 59,-0.1 -1,-0.1 -0.831 68.8-138.5-106.9 96.7 -80.1 30.5 -58.8 16 25 A P > - 0 0 47 0, 0.0 3,-0.6 0, 0.0 2,-0.1 -0.305 13.8-143.9 -59.8 121.7 -80.7 34.1 -59.9 17 26 A K T 3 S+ 0 0 128 1,-0.2 3,-0.1 -2,-0.1 -7,-0.0 -0.362 78.1 69.4 -74.3 167.2 -83.0 34.3 -62.9 18 27 A Q T 3 S+ 0 0 160 1,-0.4 2,-0.5 -2,-0.1 -1,-0.2 0.037 85.5 88.5 99.3 -19.7 -82.3 37.0 -65.5 19 28 A Y S < S- 0 0 58 -3,-0.6 2,-0.4 13,-0.0 -1,-0.4 -0.931 84.2-126.5-101.6 132.8 -79.2 35.1 -66.5 20 29 A T - 0 0 114 -2,-0.5 11,-1.3 11,-0.2 2,-0.6 -0.689 16.3-150.3 -86.2 130.4 -79.8 32.5 -69.2 21 30 A Y E +B 30 0B 28 -2,-0.4 9,-0.2 -15,-0.3 2,-0.2 -0.887 27.1 169.0-103.0 116.5 -78.7 29.0 -68.3 22 31 A F E -B 29 0B 66 7,-1.8 7,-2.9 -2,-0.6 2,-0.4 -0.540 27.8-110.6-123.5-174.5 -77.7 27.0 -71.4 23 32 A L E +B 28 0B 104 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.966 32.7 153.6-128.4 135.1 -76.0 23.8 -72.5 24 33 A E E > S+B 27 0B 96 3,-1.8 3,-2.3 -2,-0.4 -2,-0.0 -0.953 72.8 0.9-153.4 143.4 -72.7 23.0 -74.2 25 34 A D T 3 S- 0 0 136 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.670 124.3 -66.9 56.2 19.6 -70.4 19.9 -74.2 26 35 A G T 3 S+ 0 0 70 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.854 112.7 113.8 63.4 35.1 -72.9 18.3 -71.8 27 36 A K E < S-B 24 0B 101 -3,-2.3 -3,-1.8 13,-0.0 2,-0.4 -0.982 71.4-116.9-127.6 144.7 -72.1 20.8 -69.0 28 37 A V E -BC 23 39B 18 11,-0.5 11,-2.9 -2,-0.3 2,-0.3 -0.666 39.3-171.5 -80.6 131.9 -74.5 23.4 -67.7 29 38 A K E -BC 22 38B 31 -7,-2.9 -7,-1.8 -2,-0.4 2,-0.4 -0.873 13.2-158.1-126.4 159.4 -73.3 26.9 -68.4 30 39 A V E -BC 21 37B 1 7,-2.1 7,-2.3 -2,-0.3 2,-0.7 -0.999 17.5-134.1-139.3 136.9 -74.3 30.5 -67.4 31 40 A S E + C 0 36B 55 -11,-1.3 5,-0.2 -2,-0.4 -11,-0.2 -0.800 37.8 170.9 -85.2 113.6 -73.7 33.9 -68.9 32 41 A R E > - C 0 35B 65 3,-2.8 3,-1.3 -2,-0.7 -2,-0.0 -0.863 48.7-105.2-122.8 156.3 -72.6 36.2 -66.0 33 42 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.917 123.4 51.2 -41.9 -53.9 -71.2 39.8 -66.0 34 43 A E T 3 S- 0 0 88 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.780 128.7 -85.7 -54.5 -30.9 -67.7 38.4 -65.2 35 44 A G E < -C 32 0B 26 -3,-1.3 -3,-2.8 -5,-0.0 2,-0.6 -0.969 62.5 -38.8 151.0-164.4 -68.0 36.0 -68.2 36 45 A V E -C 31 0B 81 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.866 60.0-175.7-102.0 120.3 -69.4 32.6 -69.0 37 46 A K E -C 30 0B 29 -7,-2.3 -7,-2.1 -2,-0.6 2,-0.3 -0.891 26.3-118.8-122.7 144.7 -68.9 30.0 -66.3 38 47 A I E -Cd 29 71B 40 32,-2.2 34,-1.8 -2,-0.3 -9,-0.2 -0.617 21.4-147.6 -77.1 131.7 -69.6 26.2 -66.0 39 48 A I E -C 28 0B 2 -11,-2.9 -11,-0.5 -2,-0.3 34,-0.1 -0.890 17.0-152.4-101.1 107.2 -72.0 25.3 -63.2 40 49 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.372 23.3 -98.5 -74.8 157.2 -71.0 21.9 -61.8 41 50 A P >> - 0 0 50 0, 0.0 3,-1.2 0, 0.0 4,-0.9 -0.388 38.1-102.1 -70.0 153.5 -73.5 19.5 -60.2 42 51 A Q H >> S+ 0 0 128 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.838 119.2 51.9 -36.5 -55.6 -73.8 19.4 -56.4 43 52 A S H 3> S+ 0 0 103 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.776 108.1 52.0 -64.2 -29.0 -71.8 16.1 -56.0 44 53 A D H <> S+ 0 0 56 -3,-1.2 4,-1.6 1,-0.2 -1,-0.3 0.673 91.0 79.7 -77.4 -18.9 -68.9 17.5 -58.0 45 54 A R H < S+ 0 0 12 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.930 115.3 45.7 -58.3 -49.3 -58.4 24.3 -56.2 53 62 A H H >X>S+ 0 0 3 -4,-2.9 4,-1.7 1,-0.2 5,-1.0 0.919 106.3 59.0 -60.9 -44.8 -57.3 24.5 -52.5 54 63 A N H 3<5S+ 0 0 74 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.547 81.0 84.7 -70.1 -8.0 -54.7 21.8 -52.7 55 64 A L T <<5S- 0 0 126 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.1 0.958 129.3 -19.0 -57.6 -51.5 -52.7 23.6 -55.5 56 65 A A T <45S- 0 0 76 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.051 93.9-105.5-142.5 25.2 -50.9 25.6 -52.7 57 66 A H T <5 - 0 0 58 -4,-1.7 -3,-0.2 1,-0.1 -4,-0.1 0.907 57.3-175.6 53.3 51.2 -53.3 25.2 -49.8 58 67 A T < - 0 0 42 -5,-1.0 -1,-0.1 -6,-0.3 32,-0.1 -0.320 20.7-109.9 -82.8 160.5 -54.5 28.8 -50.1 59 68 A G > - 0 0 36 -2,-0.1 4,-2.2 4,-0.1 5,-0.2 0.214 49.9 -70.0 -71.0-163.6 -57.0 30.6 -47.9 60 69 A R H > S+ 0 0 134 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.978 128.0 34.9 -56.3 -67.2 -60.5 31.8 -48.6 61 70 A E H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 119.5 48.5 -63.1 -44.4 -60.0 34.5 -51.1 62 71 A A H > S+ 0 0 49 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.958 113.0 48.6 -60.3 -50.0 -57.0 33.0 -52.9 63 72 A T H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.877 111.5 50.5 -59.3 -39.5 -58.8 29.6 -53.2 64 73 A L H X S+ 0 0 14 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.960 102.6 58.4 -63.6 -51.4 -62.0 31.2 -54.6 65 74 A L H X S+ 0 0 109 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.841 107.1 49.6 -49.2 -39.3 -60.2 33.3 -57.3 66 75 A K H >X S+ 0 0 119 -4,-1.5 3,-1.8 2,-0.2 4,-0.6 0.992 114.2 43.5 -58.8 -60.3 -58.8 30.0 -58.7 67 76 A I H >X S+ 0 0 5 -4,-1.7 4,-2.7 1,-0.3 3,-0.8 0.869 105.8 62.0 -53.6 -44.6 -62.3 28.3 -58.7 68 77 A A H 3< S+ 0 0 30 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.608 88.5 74.0 -65.8 -13.5 -64.1 31.4 -60.1 69 78 A N H << S+ 0 0 103 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.983 118.6 10.1 -57.2 -56.5 -62.0 31.2 -63.3 70 79 A L H << S+ 0 0 100 -3,-0.8 -32,-2.2 -4,-0.6 -2,-0.2 0.877 123.9 51.6 -92.3 -42.3 -63.9 28.2 -64.6 71 80 A Y B < -d 38 0B 57 -4,-2.7 2,-0.3 -34,-0.2 -32,-0.2 -0.550 45.5-174.2-110.2 161.0 -66.9 27.8 -62.3 72 81 A W + 0 0 36 -34,-1.8 -4,-0.0 -2,-0.2 -3,-0.0 -0.982 18.9 144.0-139.5 144.1 -69.9 29.5 -60.7 73 82 A W > - 0 0 1 -2,-0.3 3,-0.6 -34,-0.1 2,-0.2 -0.959 53.1 -67.1-161.1 174.0 -72.5 28.3 -58.2 74 83 A P T 3 S- 0 0 21 0, 0.0 -59,-0.1 0, 0.0 -2,-0.0 -0.461 110.6 -3.4 -71.7 136.2 -74.6 29.7 -55.2 75 84 A N T 3> S+ 0 0 133 -2,-0.2 4,-1.2 -61,-0.1 -61,-0.0 0.928 74.7 175.6 51.4 57.6 -72.7 30.7 -52.1 76 85 A M H X> S+ 0 0 18 -3,-0.6 4,-1.8 1,-0.2 3,-0.6 0.928 72.8 52.9 -58.4 -51.1 -69.3 29.6 -53.3 77 86 A R H 3> S+ 0 0 107 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.914 99.0 63.6 -55.1 -45.4 -67.3 30.9 -50.4 78 87 A K H 3> S+ 0 0 63 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.906 107.8 44.4 -43.5 -48.0 -69.5 29.0 -47.9 79 88 A D H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 3,-1.1 0.978 109.4 50.1 -61.1 -54.8 -64.6 27.0 -49.6 81 90 A V H 3X S+ 0 0 49 -4,-3.1 4,-1.4 1,-0.3 -1,-0.2 0.822 104.0 60.9 -51.3 -37.8 -64.7 27.9 -45.9 82 91 A K H 3X S+ 0 0 40 -4,-1.6 4,-0.6 -5,-0.4 -1,-0.3 0.882 108.6 42.9 -58.6 -40.2 -66.1 24.4 -45.2 83 92 A Q H XX S+ 0 0 26 -4,-1.3 3,-1.3 -3,-1.1 4,-0.6 0.929 108.1 55.9 -72.4 -48.9 -63.0 22.8 -46.7 84 93 A L H 3< S+ 0 0 7 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.749 105.8 55.6 -55.2 -27.0 -60.5 25.2 -45.1 85 94 A G H 3< S+ 0 0 23 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.762 111.9 41.8 -75.3 -28.1 -62.1 24.1 -41.8 86 95 A R H << S+ 0 0 199 -3,-1.3 2,-1.3 -4,-0.6 -2,-0.2 0.278 82.3 114.2-102.7 6.2 -61.4 20.4 -42.5 87 96 A C X - 0 0 12 -4,-0.6 4,-2.2 -3,-0.3 5,-0.2 -0.693 48.6-166.3 -80.4 99.1 -57.9 20.9 -43.9 88 97 A Q H > S+ 0 0 111 -2,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.911 85.5 49.0 -44.7 -46.9 -55.8 19.0 -41.4 89 98 A Q H > S+ 0 0 112 2,-0.2 4,-0.9 1,-0.2 5,-0.2 0.908 109.8 45.1 -69.2 -51.5 -52.7 20.6 -42.8 90 99 A C H >> S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.912 110.5 58.3 -58.1 -43.2 -53.6 24.3 -43.1 91 100 A L H 3< S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.918 112.3 36.7 -51.3 -52.4 -55.1 24.1 -39.5 92 101 A I H 3< S+ 0 0 32 -4,-1.7 236,-1.4 -5,-0.2 -1,-0.2 0.521 125.7 39.1 -84.2 -5.1 -51.8 23.0 -37.9 93 102 A T H << S+ 0 0 71 -4,-0.9 234,-0.3 -3,-0.7 -2,-0.2 0.820 89.0 87.7-112.3 -47.2 -49.5 25.1 -40.1 94 103 A N S < S- 0 0 88 -4,-2.4 2,-0.1 -5,-0.2 0, 0.0 -0.176 74.8-120.4 -52.5 146.5 -51.0 28.6 -40.8 95 104 A A - 0 0 84 1,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.315 29.2 -95.6 -83.8 172.2 -50.3 31.3 -38.2 96 105 A S - 0 0 49 1,-0.1 -1,-0.1 -2,-0.1 3,-0.0 -0.488 21.5-169.2 -80.8 156.4 -52.9 33.3 -36.2 97 106 A N + 0 0 109 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.102 69.7 79.7-127.5 19.9 -54.2 36.7 -37.2 98 107 A K S S- 0 0 95 264,-0.1 2,-0.2 208,-0.0 207,-0.2 -0.994 71.3-143.0-125.4 131.2 -56.0 37.3 -33.8 99 108 A A E -e 305 0C 50 205,-2.4 207,-1.1 -2,-0.4 259,-0.1 -0.655 26.2 -98.9 -96.8 152.9 -54.0 38.5 -30.8 100 109 A S E -e 306 0C 35 -2,-0.2 202,-0.3 205,-0.2 207,-0.1 -0.329 48.1 -94.4 -66.5 150.2 -54.5 37.4 -27.2 101 110 A G - 0 0 4 205,-1.1 -1,-0.1 239,-0.2 200,-0.1 -0.036 61.5 -60.9 -60.6 171.0 -56.5 39.8 -24.9 102 111 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 199,-0.1 -0.169 62.4-104.3 -61.3 143.0 -54.9 42.3 -22.6 103 112 A I - 0 0 80 -3,-0.1 2,-0.3 1,-0.1 238,-0.0 -0.183 29.6-117.9 -67.5 157.7 -52.5 41.0 -19.9 104 113 A L - 0 0 73 194,-0.1 -1,-0.1 193,-0.0 193,-0.1 -0.733 9.5-148.2 -92.7 145.8 -53.4 40.8 -16.2 105 114 A R - 0 0 111 -2,-0.3 3,-0.1 191,-0.1 193,-0.1 -0.764 22.5-147.0-112.8 86.3 -51.5 42.7 -13.5 106 115 A P - 0 0 104 0, 0.0 -2,-0.0 0, 0.0 191,-0.0 -0.217 30.6 -93.6 -58.0 136.8 -51.7 40.3 -10.5 107 116 A D - 0 0 134 1,-0.1 3,-0.1 188,-0.1 188,-0.0 -0.175 44.8-102.0 -54.1 136.6 -51.9 42.2 -7.2 108 117 A R - 0 0 52 -3,-0.1 -1,-0.1 1,-0.1 32,-0.1 -0.381 47.0 -97.5 -56.9 134.4 -48.6 42.7 -5.5 109 118 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.238 32.6-132.2 -51.4 145.4 -48.1 40.2 -2.6 110 119 A Q S S+ 0 0 159 -3,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.962 77.9 26.7 -73.8 -53.3 -49.0 41.8 0.7 111 120 A K S > S- 0 0 83 1,-0.1 3,-1.6 413,-0.0 4,-0.4 -0.732 88.1 -97.9-110.1 154.3 -46.2 40.9 3.0 112 121 A P T 3 S+ 0 0 1 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.467 113.2 28.9 -61.5 147.2 -42.5 40.2 2.4 113 122 A F T 3 S+ 0 0 2 2,-0.3 58,-2.1 -2,-0.1 59,-0.3 0.400 88.1 107.8 77.7 -0.3 -42.0 36.4 2.4 114 123 A D S < S+ 0 0 24 -3,-1.6 58,-1.6 1,-0.3 2,-0.4 0.913 91.8 9.4 -65.6 -44.3 -45.5 35.8 1.1 115 124 A K E -f 172 0D 48 -4,-0.4 24,-3.0 56,-0.2 2,-0.4 -0.992 62.1-164.0-146.9 132.3 -44.1 34.9 -2.3 116 125 A F E -fG 173 138D 1 56,-3.1 58,-3.9 -2,-0.4 2,-0.4 -0.929 9.4-155.0-109.9 138.8 -40.7 34.2 -3.8 117 126 A F E -fG 174 137D 22 20,-2.6 20,-3.0 -2,-0.4 2,-0.4 -0.952 19.2-172.0-108.9 132.8 -40.0 34.2 -7.5 118 127 A I E + G 0 136D 0 56,-2.1 58,-0.5 -2,-0.4 2,-0.3 -0.965 14.1 150.8-134.7 147.5 -37.0 32.1 -8.6 119 128 A D E - 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H 0 149D 43 17,-2.5 17,-3.2 -9,-0.2 2,-0.5 -0.890 59.2-143.6-129.3 155.7 -25.2 30.0 -13.4 133 142 A V E -GH 121 148D 0 -12,-1.5 -12,-2.6 -2,-0.3 2,-0.5 -0.989 13.8-144.2-118.6 124.6 -26.7 32.4 -11.0 134 143 A L E -GH 120 147D 0 13,-3.4 13,-2.2 -2,-0.5 2,-0.4 -0.767 21.7-160.3 -80.4 130.9 -29.8 31.5 -9.0 135 144 A V E -GH 119 146D 0 -16,-3.0 -16,-2.1 -2,-0.5 2,-0.4 -0.967 11.6-175.5-123.2 131.0 -31.9 34.5 -8.6 136 145 A V E -GH 118 145D 0 9,-2.1 9,-2.6 -2,-0.4 2,-0.5 -0.986 2.8-172.3-131.3 118.1 -34.6 34.9 -5.9 137 146 A V E -GH 117 144D 2 -20,-3.0 -20,-2.6 -2,-0.4 2,-0.5 -0.945 23.2-132.1-116.2 129.2 -36.9 37.9 -5.7 138 147 A D E > -G 116 0D 2 5,-2.9 4,-2.8 -2,-0.5 -22,-0.2 -0.667 18.8-143.4 -73.5 124.1 -39.3 38.7 -2.9 139 148 A G T 4 S+ 0 0 0 -24,-3.0 -1,-0.2 -2,-0.5 -23,-0.1 0.904 94.0 44.0 -54.9 -48.6 -42.6 39.5 -4.7 140 149 A M T 4 S+ 0 0 0 -25,-0.4 -1,-0.2 -29,-0.4 -24,-0.1 0.934 129.1 21.1 -66.1 -47.8 -43.7 42.2 -2.2 141 150 A T T 4 S- 0 0 6 2,-0.1 118,-0.2 -30,-0.1 -2,-0.2 0.751 89.2-129.1 -98.0 -28.5 -40.4 44.1 -1.9 142 151 A G < + 0 0 11 -4,-2.8 -3,-0.1 1,-0.3 115,-0.1 0.612 52.1 157.8 80.3 11.0 -38.4 43.2 -4.9 143 152 A F - 0 0 0 113,-0.3 -5,-2.9 -5,-0.2 2,-0.4 -0.437 27.4-150.1 -63.3 144.7 -35.5 42.3 -2.6 144 153 A T E -H 137 0D 4 -7,-0.2 2,-0.4 97,-0.2 -7,-0.2 -0.971 18.3-162.1-135.4 128.1 -33.2 39.9 -4.4 145 154 A W E -H 136 0D 7 -9,-2.6 -9,-2.1 -2,-0.4 2,-0.4 -0.883 12.5-160.8-103.9 136.5 -30.8 37.1 -3.4 146 155 A L E +H 135 0D 13 -2,-0.4 -11,-0.2 -11,-0.2 -13,-0.0 -0.952 9.5 179.6-117.7 132.4 -28.1 35.9 -5.7 147 156 A Y E -H 134 0D 36 -13,-2.2 -13,-3.4 -2,-0.4 2,-0.2 -0.977 22.7-135.9-134.2 120.7 -26.3 32.5 -5.5 148 157 A P E +H 133 0D 38 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.551 31.5 177.4 -72.5 137.2 -23.6 31.3 -7.9 149 158 A T E -H 132 0D 5 -17,-3.2 -17,-2.5 -2,-0.2 -18,-2.2 -0.914 38.4-137.6-136.8 166.2 -24.0 27.7 -9.0 150 159 A K S S+ 0 0 133 -2,-0.3 -1,-0.1 -20,-0.2 -17,-0.1 0.603 91.3 17.0 -97.7 -14.2 -22.3 25.2 -11.4 151 160 A A S S- 0 0 36 2,-0.1 2,-2.1 -19,-0.1 -1,-0.2 -0.992 75.1-115.4-151.8 148.5 -25.6 23.8 -12.7 152 161 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.457 72.0 147.4 -81.5 67.6 -29.2 24.8 -12.8 153 162 A S > - 0 0 37 -2,-2.1 4,-2.1 1,-0.1 5,-0.2 -0.758 64.4-128.9-108.0 148.4 -29.8 21.7 -10.7 154 163 A T H > S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 3,-0.4 0.961 111.4 60.6 -50.0 -53.4 -32.3 20.8 -7.9 155 164 A S H > S+ 0 0 76 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.882 109.8 38.4 -39.8 -55.6 -29.2 19.8 -5.8 156 165 A A H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.787 111.4 58.3 -74.7 -28.9 -27.7 23.3 -6.0 157 166 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 -3,-0.4 -1,-0.2 0.908 108.4 47.3 -64.9 -41.3 -31.1 25.1 -5.7 158 167 A V H X S+ 0 0 26 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.943 109.9 51.3 -66.1 -49.2 -31.6 23.3 -2.4 159 168 A K H X S+ 0 0 146 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.921 114.4 45.6 -49.9 -47.4 -28.1 24.1 -1.1 160 169 A S H X S+ 0 0 14 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.872 112.0 48.1 -70.2 -41.5 -28.7 27.8 -1.9 161 170 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.688 102.2 64.3 -75.8 -20.3 -32.2 28.1 -0.4 162 171 A N H < S+ 0 0 43 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.906 106.1 44.3 -65.1 -41.8 -31.2 26.4 2.8 163 172 A V H >< S+ 0 0 80 -4,-1.2 3,-1.1 -5,-0.2 4,-0.4 0.910 115.1 50.7 -63.8 -42.4 -28.9 29.4 3.4 164 173 A L H >X S+ 0 0 2 -4,-1.6 3,-2.2 1,-0.2 4,-0.8 0.950 104.9 53.4 -62.8 -50.0 -31.7 31.7 2.3 165 174 A T T 3< S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.322 87.1 81.6 -77.1 11.5 -34.4 30.3 4.6 166 175 A S T <4 S+ 0 0 12 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 0.753 97.6 45.4 -75.2 -29.5 -32.1 30.8 7.6 167 176 A I T <4 S- 0 0 25 -3,-2.2 2,-0.3 -4,-0.4 -2,-0.2 0.977 135.5 -35.9 -71.1 -69.2 -33.3 34.4 7.4 168 177 A A < - 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