==== 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 3L2W . 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) . 27854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 64.2 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 . 73 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 23 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 1 3 0 0 2 1 4 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 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 PARALLEL BRIDGES PER LADDER . 5 0 1 2 3 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 0 125 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -66.0 -80.6 15.9 -61.5 2 11 A E T 3 + 0 0 66 1,-0.3 4,-0.3 2,-0.1 0, 0.0 0.469 360.0 68.7 -66.5 -1.7 -81.4 19.3 -59.9 3 12 A L T 3> S+ 0 0 15 2,-0.1 4,-1.2 1,-0.1 -1,-0.3 0.578 80.1 71.8 -97.6 -13.4 -80.0 20.9 -63.0 4 13 A D H <> S+ 0 0 100 -3,-1.5 4,-1.7 1,-0.2 3,-0.5 0.963 93.4 55.1 -64.1 -50.3 -82.6 19.9 -65.6 5 14 A Q H >>S+ 0 0 78 -4,-0.5 5,-2.0 1,-0.2 4,-0.5 0.780 103.2 57.7 -55.3 -32.3 -85.3 22.3 -64.2 6 15 A L H >45S+ 0 0 10 -4,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.917 105.0 46.9 -68.7 -48.4 -83.0 25.2 -64.6 7 16 A L H 3<5S+ 0 0 70 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.822 107.0 61.7 -59.4 -33.5 -82.4 24.8 -68.3 8 17 A Q H 3<5S- 0 0 115 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.712 119.0-116.4 -63.4 -23.8 -86.2 24.4 -68.5 9 18 A G T <<5 + 0 0 63 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.2 0.440 69.0 138.0 97.8 1.4 -86.4 27.9 -67.1 10 19 A H < - 0 0 116 -5,-2.0 -1,-0.4 1,-0.1 2,-0.2 -0.545 59.5-102.0 -76.8 147.5 -88.1 27.0 -63.8 11 20 A Y - 0 0 165 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.462 29.7-161.3 -77.7 139.3 -86.8 28.8 -60.7 12 21 A I B > -A 15 0A 32 3,-0.5 3,-3.1 -2,-0.2 2,-0.2 -0.989 33.7-105.5-120.8 126.2 -84.4 27.2 -58.3 13 22 A K T 3 S+ 0 0 87 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.277 110.1 17.5 -52.2 107.2 -83.9 28.7 -54.7 14 23 A G T 3 S+ 0 0 39 -2,-0.2 -1,-0.3 1,-0.1 61,-0.1 0.290 97.7 103.2 111.1 -7.2 -80.5 30.4 -54.9 15 24 A Y B < S-A 12 0A 12 -3,-3.1 -3,-0.5 59,-0.1 2,-0.3 -0.872 71.1-134.0-109.6 99.4 -80.1 30.6 -58.7 16 25 A P > - 0 0 50 0, 0.0 3,-0.8 0, 0.0 2,-0.1 -0.337 16.7-143.4 -60.4 111.9 -80.8 34.2 -59.8 17 26 A K T 3 S+ 0 0 65 -2,-0.3 3,-0.1 1,-0.2 -6,-0.0 -0.363 79.1 69.8 -68.8 158.2 -83.1 34.3 -62.8 18 27 A Q T 3 S+ 0 0 162 1,-0.5 2,-0.5 -2,-0.1 -1,-0.2 -0.061 82.7 92.9 109.1 -24.5 -82.4 37.0 -65.5 19 28 A Y S < S- 0 0 55 -3,-0.8 2,-0.5 -4,-0.0 -1,-0.5 -0.877 84.5-122.7 -95.2 132.4 -79.2 35.2 -66.4 20 29 A T - 0 0 104 -2,-0.5 11,-1.3 11,-0.3 2,-0.9 -0.669 18.4-155.8 -80.7 124.6 -79.7 32.8 -69.2 21 30 A Y E +B 30 0B 27 -2,-0.5 9,-0.2 -15,-0.2 -12,-0.1 -0.781 27.1 166.4-102.9 87.1 -78.7 29.2 -68.3 22 31 A F E -B 29 0B 70 -2,-0.9 7,-2.1 7,-0.6 2,-0.4 -0.066 29.5-113.9 -90.0-167.0 -77.8 27.5 -71.6 23 32 A L E +B 28 0B 102 5,-0.2 2,-0.3 -16,-0.1 5,-0.2 -0.997 32.5 160.3-137.5 135.2 -76.0 24.2 -72.4 24 33 A E E > +B 27 0B 99 3,-2.1 3,-2.5 -2,-0.4 -2,-0.0 -0.970 67.9 2.8-153.8 143.6 -72.6 23.4 -74.1 25 34 A D T 3 S- 0 0 134 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.668 124.4 -65.9 58.0 19.2 -70.3 20.4 -74.2 26 35 A G T 3 S+ 0 0 72 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.693 115.5 108.6 71.7 19.2 -72.7 18.5 -72.1 27 36 A K E < S-B 24 0B 107 -3,-2.5 -3,-2.1 13,-0.0 2,-0.4 -0.932 74.8-113.9-119.2 150.4 -72.1 20.9 -69.1 28 37 A V E -BC 23 39B 15 11,-0.5 11,-2.8 -2,-0.3 2,-0.3 -0.686 39.3-170.4 -82.5 133.7 -74.5 23.5 -67.8 29 38 A K E -BC 22 38B 30 -7,-2.1 -7,-0.6 -2,-0.4 2,-0.4 -0.927 13.8-157.1-126.8 151.4 -73.3 27.1 -68.4 30 39 A V E -BC 21 37B 0 7,-2.8 7,-2.2 -2,-0.3 2,-0.7 -0.989 16.0-136.1-127.0 139.7 -74.3 30.6 -67.3 31 40 A S E + C 0 36B 52 -11,-1.3 -11,-0.3 -2,-0.4 5,-0.2 -0.839 36.8 172.9 -90.7 111.5 -73.5 33.9 -68.9 32 41 A R E > - C 0 35B 66 3,-2.8 3,-1.7 -2,-0.7 -2,-0.0 -0.821 48.1-105.8-121.1 156.1 -72.5 36.3 -66.1 33 42 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.887 122.9 53.0 -42.2 -47.3 -71.2 39.9 -65.9 34 43 A E T 3 S- 0 0 89 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.729 129.3 -84.7 -62.4 -23.5 -67.7 38.5 -65.0 35 44 A G E < -C 32 0B 28 -3,-1.7 -3,-2.8 2,-0.0 2,-0.6 -0.942 63.4 -42.6 146.2-166.4 -67.9 36.2 -68.1 36 45 A V E -C 31 0B 79 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.877 61.1-176.9-100.7 118.7 -69.3 32.8 -69.0 37 46 A K E -C 30 0B 32 -7,-2.2 -7,-2.8 -2,-0.6 2,-0.3 -0.797 25.9-116.3-116.5 155.7 -68.9 30.1 -66.3 38 47 A I E -Cd 29 71B 39 32,-2.7 34,-2.2 -2,-0.3 -9,-0.2 -0.693 20.1-146.8 -85.2 137.2 -69.6 26.4 -65.9 39 48 A I E -C 28 0B 2 -11,-2.8 -11,-0.5 -2,-0.3 34,-0.1 -0.905 17.5-155.6-105.3 108.6 -72.1 25.4 -63.2 40 49 A P - 0 0 7 0, 0.0 5,-0.1 0, 0.0 -13,-0.0 -0.510 23.4 -99.5 -82.9 152.7 -71.1 22.0 -61.8 41 50 A P >> - 0 0 50 0, 0.0 3,-2.2 0, 0.0 4,-0.8 -0.278 35.9-106.6 -63.9 153.6 -73.6 19.6 -60.1 42 51 A Q H >> S+ 0 0 113 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.862 117.4 61.1 -46.7 -45.8 -73.7 19.4 -56.3 43 52 A S H 34 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.384 108.6 43.7 -70.2 4.1 -72.0 16.0 -56.2 44 53 A D H <> S+ 0 0 49 -3,-2.2 4,-2.0 2,-0.1 -1,-0.2 0.569 90.6 82.5-117.7 -19.1 -68.9 17.5 -57.9 45 54 A R H S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 112.3 48.2 -52.9 -43.7 -64.1 17.7 -55.3 48 57 A I H X S+ 0 0 17 -4,-2.0 4,-2.2 2,-0.2 3,-0.3 0.987 110.7 48.2 -62.0 -59.7 -63.6 20.9 -57.2 49 58 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.3 5,-0.2 0.890 112.8 49.3 -48.5 -48.3 -63.1 23.2 -54.2 50 59 A L H X S+ 0 0 70 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.3 0.907 108.9 52.8 -59.0 -43.7 -60.6 20.7 -52.7 51 60 A Q H < S+ 0 0 119 -4,-2.0 4,-0.4 -3,-0.3 -1,-0.2 0.889 112.6 44.2 -58.9 -44.9 -58.7 20.5 -56.0 52 61 A A H >< S+ 0 0 11 -4,-2.2 3,-1.4 1,-0.2 4,-0.4 0.941 115.0 47.9 -66.7 -50.2 -58.3 24.3 -56.2 53 62 A H H >X>S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.3 3,-1.0 0.910 104.6 60.4 -58.6 -43.3 -57.3 24.6 -52.6 54 63 A N T 3<5S+ 0 0 74 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.585 82.4 83.9 -64.2 -9.9 -54.8 21.8 -52.8 55 64 A L T <45S- 0 0 127 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.929 128.1 -19.2 -61.0 -46.4 -52.8 23.7 -55.5 56 65 A A T <45S- 0 0 74 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.122 93.4-104.2-145.0 18.7 -50.9 25.7 -52.8 57 66 A H T <5 - 0 0 54 -4,-2.1 -3,-0.2 -5,-0.2 -4,-0.1 0.888 58.1-175.2 59.4 43.6 -53.2 25.3 -49.8 58 67 A T < - 0 0 38 -5,-0.9 -1,-0.2 -6,-0.3 -3,-0.1 -0.347 19.2-118.1 -75.2 146.6 -54.5 28.8 -50.3 59 68 A G > - 0 0 35 -2,-0.1 4,-2.5 4,-0.1 5,-0.3 0.179 49.5 -63.5 -69.3-164.9 -57.0 30.5 -47.9 60 69 A R H > S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 128.3 33.2 -52.5 -65.6 -60.5 31.7 -48.6 61 70 A E H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 119.5 50.0 -63.4 -46.5 -60.0 34.5 -51.2 62 71 A A H > S+ 0 0 50 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.906 113.8 46.3 -61.0 -43.6 -57.0 33.0 -53.0 63 72 A T H >X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.6 0.959 111.6 51.1 -60.9 -52.5 -58.8 29.7 -53.4 64 73 A L H 3X S+ 0 0 14 -4,-2.6 4,-3.5 -5,-0.3 -2,-0.2 0.863 103.5 58.8 -55.0 -42.9 -62.0 31.2 -54.6 65 74 A L H 3X S+ 0 0 108 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.851 106.8 47.8 -58.1 -39.6 -60.2 33.3 -57.2 66 75 A K H XX S+ 0 0 119 -4,-1.2 3,-1.3 -3,-0.6 4,-0.6 0.977 114.7 44.9 -59.7 -56.8 -58.9 30.2 -58.8 67 76 A I H >X S+ 0 0 5 -4,-1.9 4,-2.8 1,-0.3 3,-1.3 0.896 104.6 62.9 -55.7 -46.3 -62.3 28.5 -58.8 68 77 A A H 3< S+ 0 0 34 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.745 89.4 72.4 -52.4 -29.7 -64.0 31.6 -60.1 69 78 A N H << S+ 0 0 103 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.908 118.8 10.1 -52.5 -47.3 -62.0 31.3 -63.3 70 79 A L H << S+ 0 0 100 -3,-1.3 -32,-2.7 -4,-0.6 2,-0.3 0.800 122.7 49.2-104.0 -36.7 -63.9 28.3 -64.5 71 80 A Y B < -d 38 0B 61 -4,-2.8 2,-0.3 -34,-0.2 -32,-0.2 -0.702 44.7-174.0-117.2 157.6 -67.0 27.8 -62.3 72 81 A W + 0 0 39 -34,-2.2 -42,-0.0 -2,-0.3 -4,-0.0 -0.984 18.4 145.4-136.8 146.8 -69.9 29.5 -60.7 73 82 A W > - 0 0 1 -2,-0.3 3,-0.9 -34,-0.1 2,-0.1 -0.941 55.0 -66.6-159.7 168.6 -72.6 28.3 -58.2 74 83 A P T 3 S- 0 0 23 0, 0.0 -59,-0.1 0, 0.0 -2,-0.0 -0.396 112.5 -3.1 -61.7 134.6 -74.6 29.7 -55.3 75 84 A N T 3> S+ 0 0 128 -61,-0.1 4,-1.3 -2,-0.1 3,-0.4 0.858 72.7 175.8 54.5 48.1 -72.6 30.7 -52.2 76 85 A M H X> S+ 0 0 16 -3,-0.9 4,-1.9 1,-0.2 3,-0.5 0.899 75.6 54.1 -47.2 -49.9 -69.2 29.6 -53.5 77 86 A R H 3> S+ 0 0 110 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.902 98.2 62.4 -58.2 -43.2 -67.4 30.9 -50.5 78 87 A K H 3> S+ 0 0 63 -3,-0.4 4,-1.4 1,-0.3 -1,-0.2 0.911 108.9 43.5 -46.1 -48.1 -69.6 29.0 -48.0 79 88 A D H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.5 0.964 107.9 50.4 -58.4 -53.0 -64.7 27.0 -49.7 81 90 A V H 3X S+ 0 0 48 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.813 104.3 60.1 -56.7 -33.2 -64.7 27.9 -46.0 82 91 A K H 3X S+ 0 0 45 -4,-1.4 4,-0.8 -5,-0.3 -1,-0.2 0.931 107.8 44.7 -60.6 -45.3 -66.1 24.4 -45.3 83 92 A Q H XX S+ 0 0 21 -4,-1.5 3,-1.2 -3,-0.5 4,-0.8 0.919 107.7 55.6 -64.5 -48.2 -63.0 22.8 -46.9 84 93 A L H 3< S+ 0 0 7 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.764 104.9 56.5 -59.6 -26.6 -60.5 25.1 -45.2 85 94 A G H 3< S+ 0 0 25 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.784 111.8 41.4 -71.3 -30.0 -62.0 24.0 -41.9 86 95 A R H << S+ 0 0 198 -3,-1.2 2,-1.2 -4,-0.8 -2,-0.2 0.361 82.2 111.1-101.6 1.9 -61.3 20.3 -42.7 87 96 A C X - 0 0 13 -4,-0.8 4,-2.2 -3,-0.3 5,-0.2 -0.669 49.2-166.7 -79.9 98.9 -57.8 20.7 -44.1 88 97 A Q H > S+ 0 0 101 -2,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.927 84.2 52.0 -46.8 -53.1 -55.7 19.0 -41.5 89 98 A Q H > S+ 0 0 115 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.902 110.2 44.1 -54.3 -57.0 -52.5 20.5 -43.0 90 99 A C H >> S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 3,-0.8 0.885 109.8 57.2 -57.5 -43.9 -53.5 24.2 -43.2 91 100 A L H 3< S+ 0 0 13 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 113.2 38.9 -55.9 -38.9 -55.0 24.1 -39.7 92 101 A I H 3< S+ 0 0 29 -4,-1.6 236,-1.5 -3,-0.4 -1,-0.2 0.479 124.7 36.5 -96.4 -1.9 -51.7 23.0 -38.1 93 102 A T H << S+ 0 0 71 -4,-0.8 234,-0.3 -3,-0.8 -3,-0.2 0.778 90.4 90.3-113.4 -48.5 -49.4 25.1 -40.2 94 103 A N S < S- 0 0 88 -4,-2.1 2,-0.0 -5,-0.2 0, 0.0 -0.158 73.9-124.5 -47.1 141.3 -51.0 28.5 -40.9 95 104 A A - 0 0 80 1,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.198 27.9 -94.3 -81.9 178.0 -50.3 31.2 -38.3 96 105 A S - 0 0 49 1,-0.1 -1,-0.1 2,-0.0 3,-0.1 -0.428 22.5-171.7 -84.2 164.0 -52.8 33.2 -36.3 97 106 A N + 0 0 118 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.111 69.3 81.6-136.9 20.6 -54.2 36.6 -37.2 98 107 A K S S- 0 0 102 264,-0.1 207,-0.2 208,-0.0 2,-0.2 -0.997 72.0-143.2-126.0 128.5 -56.0 37.1 -33.9 99 108 A A E -e 305 0C 47 205,-2.4 207,-1.6 -2,-0.4 259,-0.0 -0.558 24.3 -94.1 -97.3 156.3 -54.0 38.3 -30.9 100 109 A S E -e 306 0C 31 205,-0.2 202,-0.3 -2,-0.2 -1,-0.1 -0.263 48.1-105.1 -60.0 151.1 -54.3 37.4 -27.3 101 110 A G - 0 0 5 205,-0.7 -1,-0.1 239,-0.2 206,-0.0 -0.102 60.5 -52.4 -69.4 179.1 -56.5 39.7 -25.2 102 111 A P - 0 0 42 0, 0.0 -1,-0.2 0, 0.0 199,-0.1 -0.179 62.7-112.5 -55.4 140.5 -55.0 42.3 -22.7 103 112 A I - 0 0 73 -3,-0.1 2,-0.3 1,-0.1 238,-0.0 -0.124 29.1-118.2 -64.2 169.2 -52.5 40.9 -20.2 104 113 A L - 0 0 72 194,-0.1 -1,-0.1 237,-0.1 193,-0.1 -0.844 6.6-145.1-110.4 153.7 -53.3 40.8 -16.5 105 114 A R - 0 0 107 -2,-0.3 3,-0.1 191,-0.1 193,-0.1 -0.660 25.3-144.1-118.5 75.2 -51.5 42.7 -13.7 106 115 A P - 0 0 105 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.022 31.6 -92.7 -46.3 137.8 -51.6 40.2 -10.8 107 116 A D - 0 0 137 1,-0.1 3,-0.1 188,-0.1 188,-0.0 -0.177 44.9-105.0 -54.4 139.5 -52.0 42.0 -7.5 108 117 A R - 0 0 53 -3,-0.1 -1,-0.1 1,-0.1 32,-0.1 -0.511 47.1 -93.5 -66.2 134.3 -48.7 42.7 -5.8 109 118 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.219 32.7-130.9 -47.4 136.9 -48.1 40.2 -2.8 110 119 A Q S S+ 0 0 161 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.963 81.1 12.6 -62.4 -59.8 -49.4 41.7 0.5 111 120 A K S > S- 0 0 72 1,-0.1 3,-1.5 180,-0.0 4,-0.3 -0.808 90.2 -90.7-118.8 154.8 -46.4 41.1 2.7 112 121 A P T 3 S+ 0 0 4 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.347 112.2 31.7 -58.5 150.0 -42.7 40.1 2.0 113 122 A F T 3 S+ 0 0 4 2,-0.3 58,-2.5 57,-0.1 59,-0.3 0.330 87.1 105.7 78.0 -4.0 -42.2 36.3 2.1 114 123 A D S < S+ 0 0 22 -3,-1.5 58,-1.4 1,-0.3 2,-0.3 0.909 94.7 6.5 -60.5 -43.1 -45.7 35.7 0.8 115 124 A K E -f 172 0D 47 -4,-0.3 24,-3.4 56,-0.2 2,-0.4 -0.981 61.5-165.0-154.9 128.8 -44.2 34.8 -2.6 116 125 A F E -fG 173 138D 1 56,-2.3 58,-3.5 -2,-0.3 2,-0.4 -0.937 12.3-151.7-110.5 134.2 -40.7 34.3 -4.0 117 126 A F E -fG 174 137D 21 20,-3.0 20,-3.2 -2,-0.4 2,-0.3 -0.917 21.1-174.5-103.2 133.4 -40.1 34.3 -7.8 118 127 A I E +fG 175 136D 0 56,-2.5 58,-0.5 -2,-0.4 2,-0.3 -0.964 14.7 148.0-133.2 150.7 -37.1 32.2 -8.8 119 128 A D E - G 0 135D 15 16,-1.9 16,-2.9 -2,-0.3 2,-0.4 -0.962 36.5-114.9-164.7 162.3 -35.2 31.5 -12.0 120 129 A Y E - G 0 134D 25 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.909 18.7-153.5-107.1 141.4 -31.7 30.7 -13.3 121 130 A I E - G 0 133D 12 12,-2.4 12,-1.6 -2,-0.4 3,-0.2 -0.846 40.4 -45.8-101.8 144.8 -29.6 32.9 -15.6 122 131 A G - 0 0 38 -2,-0.3 2,-0.2 1,-0.3 10,-0.1 -0.538 37.5 -96.7 127.5 178.1 -27.0 31.3 -17.8 123 132 A P + 0 0 89 0, 0.0 -1,-0.3 0, 0.0 9,-0.2 0.288 61.1 179.5 -77.8 149.1 -24.7 29.7 -18.9 124 133 A L - 0 0 26 7,-2.4 3,-0.1 -3,-0.2 -3,-0.0 -0.687 43.7 -70.3-107.5 165.0 -22.3 32.6 -18.4 125 134 A P - 0 0 65 0, 0.0 108,-0.2 0, 0.0 5,-0.1 -0.422 69.9 -91.0 -52.5 126.3 -18.5 32.6 -19.1 126 135 A P + 0 0 103 0, 0.0 2,-0.5 0, 0.0 5,-0.2 -0.224 51.7 178.1 -44.5 109.4 -16.8 30.3 -16.6 127 136 A S B > S-J 130 0E 9 3,-1.7 3,-3.1 -3,-0.1 105,-0.1 -0.994 72.7 -20.3-113.8 126.3 -15.8 32.4 -13.6 128 137 A Q T 3 S- 0 0 130 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.697 124.9 -58.0 52.0 23.8 -14.2 30.5 -10.7 129 138 A G T 3 S+ 0 0 47 1,-0.3 2,-0.3 20,-0.0 -1,-0.3 0.473 112.5 118.9 86.5 3.3 -15.8 27.3 -12.1 130 139 A Y B < +J 127 0E 64 -3,-3.1 -3,-1.7 1,-0.1 -1,-0.3 -0.757 33.1 172.9-102.8 149.9 -19.3 28.6 -11.9 131 140 A L + 0 0 53 18,-1.8 -7,-2.4 -2,-0.3 2,-0.3 0.604 57.4 48.1-127.2 -22.8 -21.7 29.0 -14.8 132 141 A Y E - H 0 149D 41 17,-3.4 17,-4.1 -9,-0.2 2,-0.5 -0.905 57.5-145.3-129.3 152.3 -25.1 30.0 -13.5 133 142 A V E -GH 121 148D 1 -12,-1.6 -12,-2.4 -2,-0.3 2,-0.6 -0.981 13.7-145.0-114.9 126.3 -26.7 32.4 -11.1 134 143 A L E -GH 120 147D 0 13,-3.7 13,-2.3 -2,-0.5 2,-0.4 -0.817 20.1-159.8 -81.9 125.5 -29.8 31.5 -9.1 135 144 A V E -GH 119 146D 0 -16,-2.9 -16,-1.9 -2,-0.6 2,-0.4 -0.935 10.9-174.8-113.9 131.2 -32.0 34.6 -8.8 136 145 A V E -GH 118 145D 0 9,-2.1 9,-2.5 -2,-0.4 2,-0.5 -0.975 4.6-171.1-129.1 113.1 -34.6 34.8 -6.0 137 146 A V E -GH 117 144D 1 -20,-3.2 -20,-3.0 -2,-0.4 2,-0.4 -0.921 22.4-131.4-112.6 122.7 -36.9 37.9 -6.0 138 147 A D E > -G 116 0D 1 5,-3.3 4,-1.9 -2,-0.5 -22,-0.2 -0.573 18.2-142.2 -67.4 125.1 -39.3 38.6 -3.2 139 148 A G T 4 S+ 0 0 0 -24,-3.4 -1,-0.1 -2,-0.4 -23,-0.1 0.886 92.1 41.6 -56.1 -45.7 -42.6 39.4 -4.8 140 149 A M T 4 S+ 0 0 0 -25,-0.4 -1,-0.2 -29,-0.3 -24,-0.1 0.983 128.9 21.4 -70.5 -57.5 -43.7 42.1 -2.5 141 150 A T T 4 S- 0 0 5 2,-0.1 118,-0.2 118,-0.0 -2,-0.2 0.777 92.1-127.1 -87.5 -32.0 -40.5 44.2 -2.0 142 151 A G < + 0 0 12 -4,-1.9 -3,-0.1 1,-0.3 115,-0.1 0.386 51.7 159.3 93.5 -2.5 -38.5 43.2 -5.0 143 152 A F - 0 0 0 113,-0.3 -5,-3.3 -6,-0.1 2,-0.4 -0.247 25.6-151.4 -54.4 137.8 -35.6 42.3 -2.8 144 153 A T E -H 137 0D 2 -7,-0.2 2,-0.4 97,-0.2 -7,-0.2 -0.951 17.1-163.6-128.5 132.4 -33.2 39.9 -4.6 145 154 A W E -H 136 0D 8 -9,-2.5 -9,-2.1 -2,-0.4 2,-0.4 -0.901 13.6-157.3-107.2 141.5 -30.9 37.2 -3.5 146 155 A L E -H 135 0D 13 -2,-0.4 -11,-0.2 -11,-0.2 95,-0.0 -0.965 10.4-178.7-121.3 134.8 -28.2 35.9 -5.9 147 156 A Y E -H 134 0D 35 -13,-2.3 -13,-3.7 -2,-0.4 2,-0.3 -0.988 21.7-135.7-135.0 126.3 -26.4 32.6 -5.7 148 157 A P E -H 133 0D 39 0, 0.0 2,-0.3 0, 0.0 -15,-0.3 -0.619 30.7-179.7 -78.2 133.3 -23.6 31.3 -8.1 149 158 A T E -H 132 0D 5 -17,-4.1 -17,-3.4 -2,-0.3 -18,-1.8 -0.962 36.7-142.0-136.9 157.2 -24.1 27.7 -9.3 150 159 A K S S+ 0 0 130 -2,-0.3 -1,-0.1 -20,-0.2 -17,-0.1 0.651 91.9 17.5 -89.0 -18.6 -22.3 25.2 -11.5 151 160 A A S S- 0 0 40 2,-0.1 2,-1.9 -19,-0.1 -1,-0.2 -0.986 77.0-115.7-148.3 149.4 -25.5 23.8 -12.9 152 161 A P S S+ 0 0 56 0, 0.0 28,-0.3 0, 0.0 2,-0.3 -0.540 73.7 139.5 -82.3 73.3 -29.1 24.9 -13.1 153 162 A S S > S- 0 0 33 -2,-1.9 4,-2.6 1,-0.1 5,-0.2 -0.856 71.0-118.7-129.1 149.3 -30.0 21.9 -10.9 154 163 A T H > S+ 0 0 22 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.898 113.8 59.2 -46.3 -49.6 -32.2 20.9 -8.0 155 164 A S H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.943 111.0 39.9 -45.6 -59.1 -29.1 20.1 -6.0 156 165 A A H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 114.8 52.5 -62.0 -43.2 -27.8 23.6 -6.3 157 166 A T H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.933 111.2 46.7 -58.3 -49.1 -31.2 25.2 -5.9 158 167 A V H X S+ 0 0 29 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.927 112.3 50.2 -59.9 -46.8 -31.8 23.3 -2.6 159 168 A K H X S+ 0 0 149 -4,-2.4 4,-0.8 -5,-0.3 -2,-0.2 0.929 114.6 44.2 -57.5 -48.8 -28.3 24.1 -1.3 160 169 A S H >X S+ 0 0 12 -4,-2.6 4,-2.0 1,-0.2 3,-1.0 0.919 112.5 50.4 -64.5 -47.1 -28.8 27.8 -2.0 161 170 A L H 3X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.3 -1,-0.2 0.783 100.5 63.9 -68.3 -27.4 -32.4 28.0 -0.7 162 171 A N H 3< S+ 0 0 41 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.811 107.7 44.0 -61.0 -30.5 -31.3 26.3 2.6 163 172 A V H X< S+ 0 0 79 -3,-1.0 3,-1.6 -4,-0.8 -2,-0.2 0.942 113.9 48.9 -75.0 -50.8 -29.1 29.4 3.1 164 173 A L H >X S+ 0 0 1 -4,-2.0 3,-2.2 1,-0.3 4,-0.6 0.915 106.1 55.4 -57.1 -49.6 -31.8 31.9 2.1 165 174 A T T 3< S+ 0 0 4 -4,-2.7 -1,-0.3 1,-0.3 337,-0.1 0.124 83.3 84.5 -79.1 21.0 -34.5 30.5 4.3 166 175 A S T <4 S+ 0 0 12 -3,-1.6 -1,-0.3 335,-0.1 -2,-0.2 0.542 95.8 47.3 -84.1 -13.7 -32.4 30.8 7.3 167 176 A I T <4 S- 0 0 26 -3,-2.2 2,-0.3 1,-0.4 -2,-0.2 0.926 133.2 -32.6 -88.6 -60.7 -33.8 34.3 7.3 168 177 A A < - 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