==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 03-JUN-02 1LWY . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.C.FROMME,S.D.BRUNER,W.YANG,M.KARPLUS,G.L.VERDINE . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 8.6 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 . 4 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 . 1 0.3 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 . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 0 1 2 1 1 1 3 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 9 A G 0 0 94 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -76.3 28.7 -13.3 36.6 2 10 A S + 0 0 111 4,-0.1 2,-0.3 73,-0.0 4,-0.1 0.365 360.0 81.8 -89.7 5.3 24.9 -12.9 37.0 3 11 A E S S+ 0 0 155 2,-0.1 160,-0.1 160,-0.1 0, 0.0 -0.766 80.6 15.0-109.9 156.1 25.5 -10.5 39.9 4 12 A G S S- 0 0 14 -2,-0.3 2,-0.2 158,-0.2 158,-0.0 -0.083 106.2 -26.1 78.3 179.9 26.3 -6.8 39.7 5 13 A H S S- 0 0 22 1,-0.1 -2,-0.1 158,-0.1 2,-0.1 -0.485 73.0-120.7 -68.7 133.6 26.0 -4.3 36.9 6 14 A R - 0 0 32 -2,-0.2 2,-0.3 -4,-0.1 37,-0.1 -0.325 21.3-158.0 -75.2 157.3 26.3 -6.0 33.5 7 15 A T > - 0 0 40 1,-0.1 4,-1.8 -2,-0.1 52,-0.0 -0.953 28.8-117.6-131.2 150.6 28.9 -5.2 30.9 8 16 A L T 4 S+ 0 0 46 -2,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.881 115.0 47.0 -56.7 -38.1 28.6 -5.9 27.2 9 17 A A T 4 S+ 0 0 85 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.875 111.5 48.4 -73.0 -39.0 31.6 -8.2 27.4 10 18 A S T 4 S+ 0 0 69 1,-0.2 -2,-0.2 2,-0.1 3,-0.2 0.920 122.2 26.5 -71.7 -47.2 30.5 -10.2 30.5 11 19 A T S >< S+ 0 0 20 -4,-1.8 3,-2.9 1,-0.2 -1,-0.2 -0.430 70.7 165.7-117.1 59.9 26.9 -11.2 29.7 12 20 A P G > S+ 0 0 81 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.830 74.9 54.4 -37.3 -56.4 26.9 -11.1 25.9 13 21 A A G 3 S+ 0 0 84 1,-0.3 2,-0.2 -3,-0.2 64,-0.1 0.645 98.7 69.1 -59.6 -14.4 23.5 -13.0 25.5 14 22 A L G < S+ 0 0 31 -3,-2.9 2,-0.3 -6,-0.1 -1,-0.3 -0.270 85.9 81.0-102.1 47.5 22.0 -10.3 27.8 15 23 A W < - 0 0 21 -3,-0.6 2,-0.3 -2,-0.2 53,-0.2 -0.957 52.7-166.3-152.7 131.4 22.3 -7.3 25.3 16 24 A A E -A 67 0A 16 51,-2.9 51,-3.5 -2,-0.3 2,-0.3 -0.896 19.3-134.5-115.5 148.0 20.1 -6.2 22.4 17 25 A S E -A 66 0A 52 -2,-0.3 49,-0.2 49,-0.2 43,-0.0 -0.714 12.1-163.9-107.5 155.1 21.1 -3.6 19.9 18 26 A I E -A 65 0A 6 47,-1.3 47,-2.1 -2,-0.3 2,-0.0 -0.993 36.6-110.6-133.2 121.0 19.5 -0.6 18.3 19 27 A P E +A 64 0A 104 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.337 60.9 140.9 -54.1 123.7 21.0 0.9 15.1 20 28 A C - 0 0 6 43,-2.3 41,-0.2 41,-0.1 -2,-0.1 -0.623 39.5-145.3-171.5 105.3 22.5 4.2 16.2 21 29 A P >> - 0 0 33 0, 0.0 3,-2.6 0, 0.0 4,-1.0 -0.413 30.1-114.6 -74.2 151.8 25.7 5.8 15.1 22 30 A R T 34 S+ 0 0 73 40,-2.0 3,-0.1 1,-0.3 41,-0.1 0.763 116.0 68.2 -56.5 -22.8 27.7 7.9 17.5 23 31 A S T 34 S+ 0 0 64 39,-0.3 96,-1.0 1,-0.2 -1,-0.3 0.724 104.7 42.0 -69.1 -20.0 27.0 10.9 15.2 24 32 A E T <4 S+ 0 0 27 -3,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.612 129.3 14.2 -98.9 -17.6 23.3 10.5 16.3 25 33 A L < - 0 0 0 -4,-1.0 2,-0.5 -3,-0.1 -1,-0.3 -0.907 48.6-175.2-164.2 131.0 24.0 9.9 20.0 26 34 A R >> - 0 0 48 93,-2.2 4,-1.6 -2,-0.3 3,-1.5 -0.917 9.9-166.0-127.6 100.8 26.9 10.2 22.5 27 35 A L H 3> S+ 0 0 2 -2,-0.5 4,-2.2 1,-0.3 3,-0.4 0.894 88.4 58.0 -52.5 -45.3 25.8 8.9 25.9 28 36 A D H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 13,-0.0 0.691 112.7 41.0 -62.1 -19.5 28.8 10.5 27.6 29 37 A L H <4 S+ 0 0 6 -3,-1.5 -1,-0.2 90,-0.1 -2,-0.2 0.641 122.9 37.3-101.4 -19.8 27.7 13.9 26.4 30 38 A V H >< S+ 0 0 0 -4,-1.6 3,-1.1 -3,-0.4 5,-0.5 0.895 109.7 52.1 -96.8 -53.2 23.9 13.4 27.0 31 39 A L T 3< S+ 0 0 2 -4,-2.2 8,-0.4 1,-0.2 3,-0.2 0.736 116.9 34.7 -61.9 -28.5 23.4 11.5 30.2 32 40 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.347 92.8 94.6-108.6 10.6 25.6 13.6 32.6 33 41 A S S < S- 0 0 3 -3,-1.1 -2,-0.1 1,-0.1 4,-0.1 0.125 105.7 -89.9 -90.8 21.5 25.0 17.0 31.1 34 42 A G S S+ 0 0 12 2,-0.5 3,-0.2 -3,-0.2 -3,-0.1 0.729 102.8 100.9 83.4 19.8 22.1 18.2 33.2 35 43 A Q S S+ 0 0 8 1,-0.6 2,-0.4 -5,-0.5 -4,-0.1 0.835 97.1 10.0 -94.0 -62.0 19.1 16.9 31.2 36 44 A S - 0 0 3 -6,-0.4 -1,-0.6 -5,-0.1 -2,-0.5 -0.902 62.3-161.3-114.0 144.7 18.5 13.9 33.4 37 45 A F S S+ 0 0 9 -2,-0.4 113,-0.1 -3,-0.2 -1,-0.1 0.263 73.4 81.9-109.1 14.5 20.2 13.4 36.8 38 46 A R + 0 0 27 12,-0.1 12,-0.5 111,-0.1 2,-0.4 0.196 65.5 93.2-107.0 16.7 19.5 9.7 37.1 39 47 A W - 0 0 9 -8,-0.4 2,-0.4 -3,-0.2 10,-0.2 -0.909 47.1-173.5-114.2 139.5 22.2 8.0 35.0 40 48 A R E -B 48 0A 105 8,-2.3 8,-3.0 -2,-0.4 2,-1.8 -0.988 29.5-132.6-131.8 140.2 25.6 6.8 36.3 41 49 A E E + 0 0 96 -2,-0.4 6,-0.2 6,-0.2 4,-0.1 -0.568 36.9 167.6 -86.8 73.7 28.6 5.3 34.5 42 50 A Q E S+ 0 0 80 -2,-1.8 -1,-0.2 4,-0.3 5,-0.1 0.827 71.5 25.2 -59.4 -35.2 28.9 2.4 36.9 43 51 A S E > S-B 46 0A 32 3,-1.2 3,-2.9 -3,-0.2 -1,-0.1 -0.956 113.6 -78.2-125.8 146.4 31.4 0.7 34.6 44 52 A P T 3 S- 0 0 113 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.177 117.7 -1.0 -48.6 125.8 33.5 2.6 32.1 45 53 A A T 3 S+ 0 0 54 1,-0.1 2,-0.5 -4,-0.1 15,-0.5 0.538 111.3 108.6 69.6 8.0 31.4 3.5 29.1 46 54 A H E < -B 43 0A 17 -3,-2.9 -3,-1.2 13,-0.1 2,-0.5 -0.964 51.6-164.2-120.5 116.4 28.3 1.8 30.6 47 55 A W E - C 0 58A 20 11,-2.5 11,-2.6 -2,-0.5 2,-0.4 -0.863 4.0-168.9-105.7 127.5 25.5 3.9 31.9 48 56 A S E +BC 40 57A 1 -8,-3.0 -8,-2.3 -2,-0.5 2,-0.3 -0.903 24.4 119.8-117.2 143.1 22.8 2.6 34.3 49 57 A G E - C 0 56A 0 7,-2.1 7,-2.9 -2,-0.4 2,-0.5 -0.973 59.5 -66.7-175.6-176.2 19.6 4.2 35.4 50 58 A V E + C 0 55A 12 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.809 43.6 172.6 -98.6 130.6 15.8 4.0 35.4 51 59 A L E > S- C 0 54A 10 3,-3.2 3,-0.6 -2,-0.5 35,-0.1 -0.951 71.1 -12.9-140.7 113.7 13.9 4.2 32.2 52 60 A A T 3 S- 0 0 62 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.932 128.3 -52.9 61.0 48.2 10.2 3.6 31.9 53 61 A D T 3 S+ 0 0 130 1,-0.2 2,-0.3 116,-0.1 -1,-0.2 0.640 122.1 91.7 64.4 17.5 10.0 2.1 35.5 54 62 A Q E < S-C 51 0A 53 -3,-0.6 -3,-3.2 17,-0.1 2,-0.4 -0.961 78.4-110.0-137.0 156.3 12.8 -0.4 34.9 55 63 A V E +CD 50 70A 1 15,-1.0 15,-2.6 -2,-0.3 2,-0.3 -0.725 39.7 179.6 -88.3 134.0 16.6 -0.4 35.4 56 64 A W E -CD 49 69A 2 -7,-2.9 -7,-2.1 -2,-0.4 2,-0.4 -0.901 22.8-154.3-130.5 160.8 18.7 -0.3 32.3 57 65 A T E -CD 48 68A 0 11,-1.8 11,-1.7 -2,-0.3 2,-0.4 -0.993 20.2-168.3-132.2 132.2 22.4 -0.3 31.4 58 66 A L E +CD 47 67A 0 -11,-2.6 -11,-2.5 -2,-0.4 2,-0.3 -0.950 12.8 164.8-126.3 145.6 23.4 1.2 28.0 59 67 A T E - D 0 66A 8 7,-2.1 7,-3.2 -2,-0.4 2,-0.4 -0.971 18.0-146.4-152.5 156.1 26.6 1.2 26.1 60 68 A Q E - D 0 65A 20 -15,-0.5 5,-0.2 -2,-0.3 2,-0.2 -0.967 11.0-162.9-137.6 153.0 27.6 2.0 22.6 61 69 A T - 0 0 58 3,-2.8 3,-0.2 -2,-0.4 -39,-0.1 -0.615 56.5 -78.5-112.8 176.9 29.9 1.0 19.8 62 70 A E S S+ 0 0 114 1,-0.2 -40,-2.0 -2,-0.2 -39,-0.3 0.845 129.1 14.8 -48.3 -41.4 30.6 3.1 16.7 63 71 A E S S+ 0 0 107 -42,-0.2 -43,-2.3 -41,-0.1 2,-0.4 0.466 120.1 65.2-116.3 -1.2 27.3 2.1 15.0 64 72 A Q E -A 19 0A 53 -45,-0.2 -3,-2.8 -3,-0.2 2,-0.7 -0.950 55.5-150.7-132.6 146.1 25.2 0.5 17.8 65 73 A L E -AD 18 60A 0 -47,-2.1 -47,-1.3 -2,-0.4 2,-0.4 -0.940 27.5-153.1-107.7 108.0 23.5 1.4 21.1 66 74 A H E -AD 17 59A 23 -7,-3.2 -7,-2.1 -2,-0.7 2,-0.4 -0.723 13.3-168.5 -88.0 130.1 23.6 -1.8 23.2 67 75 A C E +AD 16 58A 0 -51,-3.5 -51,-2.9 -2,-0.4 2,-0.3 -0.928 13.1 178.5-123.6 143.0 20.8 -2.1 25.8 68 76 A T E - D 0 57A 0 -11,-1.7 -11,-1.8 -2,-0.4 2,-0.4 -0.996 12.5-155.9-139.5 141.6 20.2 -4.5 28.7 69 77 A V E - D 0 56A 1 7,-0.4 2,-0.6 -2,-0.3 7,-0.3 -0.933 9.4-151.6-125.3 145.0 17.3 -4.5 31.1 70 78 A Y E D 0 55A 13 -15,-2.6 -15,-1.0 -2,-0.4 5,-0.0 -0.944 360.0 360.0-114.4 109.9 16.8 -5.8 34.7 71 79 A R 0 0 90 -2,-0.6 -17,-0.1 2,-0.1 4,-0.0 -0.515 360.0 360.0 -71.3 360.0 13.2 -6.7 35.4 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 83 A S 0 0 142 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 106.8 11.6 -13.4 35.9 74 84 A Q - 0 0 180 1,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.376 360.0-101.1 -61.4 132.4 14.5 -15.2 34.3 75 85 A A + 0 0 61 -2,-0.1 2,-0.3 -5,-0.0 -1,-0.1 -0.277 60.9 151.1 -55.0 135.0 17.1 -12.8 32.9 76 86 A S - 0 0 53 -7,-0.3 -7,-0.4 -3,-0.1 3,-0.1 -0.908 45.5 -65.7-154.1-179.1 16.6 -12.3 29.2 77 87 A R - 0 0 50 -2,-0.3 -9,-0.1 1,-0.1 -63,-0.1 -0.376 58.5 -93.4 -76.2 152.9 17.1 -9.9 26.3 78 88 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.435 46.5-122.5 -63.6 140.5 15.1 -6.7 26.1 79 89 A T > - 0 0 52 1,-0.1 4,-2.7 -3,-0.1 3,-0.3 -0.383 23.9-104.7 -79.4 163.6 12.0 -7.3 23.9 80 90 A P H > S+ 0 0 96 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.873 123.8 53.2 -55.9 -36.3 11.4 -5.2 20.8 81 91 A D H 4 S+ 0 0 137 2,-0.2 4,-0.4 1,-0.2 0, 0.0 0.866 109.6 46.6 -67.3 -37.8 8.7 -3.4 22.7 82 92 A E H >> S+ 0 0 28 -3,-0.3 3,-1.4 2,-0.2 4,-1.3 0.898 109.4 53.6 -71.0 -42.0 11.1 -2.5 25.6 83 93 A L H 3X S+ 0 0 22 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.854 102.5 60.1 -60.2 -31.4 13.8 -1.4 23.1 84 94 A E H 3X S+ 0 0 93 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.3 0.738 97.6 58.8 -68.1 -21.8 11.1 0.9 21.7 85 95 A A H <> S+ 0 0 32 -3,-1.4 4,-2.0 -4,-0.4 -1,-0.2 0.889 106.5 47.7 -72.3 -38.9 10.9 2.5 25.1 86 96 A V H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.949 109.4 52.5 -65.1 -48.6 14.6 3.3 24.8 87 97 A R H <>S+ 0 0 60 -4,-2.4 5,-2.4 1,-0.2 6,-0.2 0.907 111.2 47.1 -55.5 -42.1 14.1 4.7 21.2 88 98 A K H ><5S+ 0 0 62 -4,-1.8 3,-1.0 3,-0.2 -1,-0.2 0.900 108.4 54.9 -66.7 -41.5 11.3 7.0 22.5 89 99 A Y H 3<5S+ 0 0 19 -4,-2.0 35,-2.9 1,-0.3 -1,-0.2 0.874 115.8 37.9 -59.2 -41.4 13.4 8.2 25.5 90 100 A F T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 33,-0.2 -2,-0.2 0.359 107.0-130.0 -91.5 5.1 16.2 9.3 23.2 91 101 A Q T X 5 + 0 0 41 -3,-1.0 3,-1.9 -5,-0.2 -3,-0.2 0.908 37.4 176.8 46.0 52.4 13.8 10.5 20.5 92 102 A L T 3 < + 0 0 25 -5,-2.4 -1,-0.1 1,-0.3 -4,-0.1 0.560 65.9 72.1 -65.7 -9.6 15.6 8.5 17.9 93 103 A D T 3 S+ 0 0 133 -6,-0.2 2,-0.7 2,-0.1 -1,-0.3 0.659 80.4 86.1 -78.4 -15.8 13.2 9.4 15.1 94 104 A V S < S- 0 0 31 -3,-1.9 2,-0.9 -4,-0.1 3,-0.1 -0.784 83.6-136.3 -86.1 118.9 14.6 12.9 15.2 95 105 A T >> - 0 0 69 -2,-0.7 4,-1.4 1,-0.2 3,-0.8 -0.682 15.0-166.3 -81.3 106.4 17.7 12.9 12.9 96 106 A L H 3> S+ 0 0 0 -2,-0.9 4,-3.0 1,-0.2 5,-0.3 0.870 85.3 61.1 -60.2 -39.2 20.4 14.8 14.7 97 107 A A H 3> S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.812 104.0 50.9 -59.8 -29.5 22.6 15.1 11.6 98 108 A Q H <> S+ 0 0 134 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.894 112.5 45.0 -75.8 -39.6 19.7 17.1 9.9 99 109 A L H X S+ 0 0 26 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.933 111.9 51.6 -68.5 -44.9 19.4 19.5 12.8 100 110 A Y H X S+ 0 0 30 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.914 109.2 51.9 -57.7 -43.7 23.2 19.9 13.1 101 111 A H H X S+ 0 0 132 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.957 112.2 45.3 -56.8 -53.0 23.4 20.7 9.4 102 112 A H H X S+ 0 0 83 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.932 115.5 44.6 -57.5 -52.0 20.7 23.4 9.7 103 113 A W H X S+ 0 0 2 -4,-2.9 4,-1.5 1,-0.2 3,-0.5 0.927 113.9 50.0 -61.7 -45.1 22.0 25.1 12.8 104 114 A G H < S+ 0 0 5 -4,-2.8 7,-0.3 -5,-0.3 -1,-0.2 0.808 107.3 57.0 -62.9 -27.0 25.5 25.0 11.4 105 115 A S H < S+ 0 0 74 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.799 116.4 32.8 -73.3 -31.2 24.2 26.6 8.2 106 116 A V H < S+ 0 0 71 -4,-1.4 2,-0.4 -3,-0.5 -2,-0.2 0.506 123.2 47.2-102.5 -7.4 22.7 29.6 9.9 107 117 A D X - 0 0 12 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 -0.822 57.8-170.0-142.3 100.0 25.3 29.9 12.7 108 118 A S H > S+ 0 0 93 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.829 90.7 53.6 -56.3 -37.4 29.0 29.7 11.9 109 119 A H H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 107.3 51.5 -66.1 -41.4 30.0 29.5 15.6 110 120 A F H > S+ 0 0 0 1,-0.2 4,-3.8 -3,-0.2 5,-0.3 0.942 107.3 52.9 -58.9 -49.1 27.7 26.5 16.1 111 121 A Q H X S+ 0 0 119 -4,-2.1 4,-1.6 -7,-0.3 -1,-0.2 0.907 107.5 52.3 -52.9 -44.5 29.2 24.7 13.2 112 122 A E H < S+ 0 0 132 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.923 117.7 36.8 -58.9 -45.8 32.7 25.2 14.6 113 123 A V H >X S+ 0 0 25 -4,-2.0 3,-1.9 1,-0.2 4,-1.0 0.932 109.4 61.2 -73.8 -46.6 31.6 23.8 18.0 114 124 A A H 3< S+ 0 0 9 -4,-3.8 3,-0.5 1,-0.3 -1,-0.2 0.818 91.2 69.8 -49.8 -37.7 29.3 21.0 16.7 115 125 A Q T 3< S+ 0 0 142 -4,-1.6 3,-0.3 -5,-0.3 -1,-0.3 0.835 108.6 35.1 -50.7 -36.7 32.2 19.4 14.8 116 126 A K T <4 S+ 0 0 138 -3,-1.9 -1,-0.2 -4,-0.4 2,-0.2 0.605 119.2 49.7 -95.8 -15.2 33.7 18.4 18.2 117 127 A F S >< S+ 0 0 37 -4,-1.0 3,-0.5 -3,-0.5 -1,-0.2 -0.517 72.0 159.5-125.9 67.1 30.5 17.7 20.1 118 128 A Q T 3 + 0 0 55 -3,-0.3 -94,-0.1 -2,-0.2 3,-0.1 -0.391 53.4 40.9 -81.5 162.2 28.3 15.4 17.9 119 129 A G T 3 + 0 0 0 -96,-1.0 -93,-2.2 1,-0.2 2,-0.9 0.658 67.6 142.7 77.2 16.6 25.6 13.3 19.2 120 130 A V < + 0 0 1 -3,-0.5 2,-0.2 -95,-0.2 -1,-0.2 -0.805 23.5 155.6 -93.5 105.1 24.1 15.7 21.7 121 131 A R - 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