==== 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 HYDROLASE/DNA 06-JUN-09 3HQF . COMPND 2 MOLECULE: RESTRICTION ENDONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.GOLOVENKO,E.MANAKOVA,S.GRAZULIS,G.TAMULAITIENE,V.SIKSNYS . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 21.4 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 . 19 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 A H 0 0 233 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.7 27.0 43.9 32.7 2 1 A H - 0 0 59 4,-0.0 2,-0.0 2,-0.0 0, 0.0 0.615 360.0-158.7 72.4 128.4 27.6 40.9 30.3 3 2 A G - 0 0 32 141,-0.1 142,-0.2 142,-0.0 4,-0.1 0.539 69.0 -65.7 -87.2-100.3 25.4 39.7 27.4 4 3 A S S > S+ 0 0 34 140,-0.1 4,-2.9 2,-0.1 5,-0.2 0.360 103.0 108.5-131.6 8.4 26.4 36.1 27.0 5 4 A S H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.862 84.8 45.1 -50.5 -49.2 30.2 36.1 25.9 6 5 A V H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 113.4 50.6 -64.7 -46.7 31.5 34.9 29.3 7 6 A F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.974 110.7 50.1 -47.7 -56.7 28.8 32.1 29.5 8 7 A H H X S+ 0 0 77 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.844 109.3 50.7 -55.8 -40.7 29.7 31.0 26.0 9 8 A N H X S+ 0 0 110 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.3 0.887 110.6 48.9 -67.6 -37.9 33.4 30.8 26.7 10 9 A W H X S+ 0 0 22 -4,-2.2 4,-2.4 -3,-0.3 -2,-0.2 0.898 108.6 54.7 -67.3 -40.4 32.7 28.7 29.8 11 10 A L H X S+ 0 0 0 -4,-2.4 4,-3.7 1,-0.2 -2,-0.2 0.907 106.1 51.2 -58.5 -43.3 30.5 26.4 27.8 12 11 A L H X S+ 0 0 74 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.894 109.3 50.7 -64.8 -39.9 33.2 25.8 25.2 13 12 A E H >< S+ 0 0 96 -4,-1.8 3,-0.6 2,-0.2 4,-0.5 0.942 114.4 42.7 -64.6 -49.1 35.6 24.9 28.0 14 13 A I H >< S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.2 5,-0.4 0.959 109.8 60.4 -55.8 -51.0 33.1 22.4 29.5 15 14 A A H 3< S+ 0 0 20 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.730 112.6 35.7 -50.7 -26.6 32.3 21.1 26.0 16 15 A C T << S+ 0 0 104 -4,-1.1 -1,-0.3 -3,-0.6 2,-0.2 0.362 107.9 74.3-118.4 8.5 35.8 20.0 25.3 17 16 A E S < S- 0 0 83 -3,-1.8 2,-2.1 -4,-0.5 150,-0.2 -0.577 100.2 -79.9-113.3 177.6 36.9 18.8 28.8 18 17 A N S S+ 0 0 66 -2,-0.2 107,-2.5 107,-0.1 2,-0.3 -0.448 76.7 135.8 -89.5 76.3 35.9 15.6 30.6 19 18 A Y E -A 124 0A 14 -2,-2.1 147,-3.5 -5,-0.4 2,-0.5 -0.875 46.8-149.8-121.2 151.1 32.5 16.6 32.0 20 19 A F E -AB 123 165A 17 103,-2.5 103,-3.2 -2,-0.3 2,-0.4 -0.977 30.2-143.2-115.1 132.4 29.1 15.1 32.4 21 20 A V E -AB 122 164A 0 143,-4.0 143,-2.0 -2,-0.5 2,-0.4 -0.814 18.3-169.8-111.5 138.2 26.3 17.7 32.3 22 21 A Y E -AB 121 163A 1 99,-2.1 99,-3.5 -2,-0.4 2,-0.4 -0.998 14.5-175.5-122.9 120.7 23.0 18.0 34.1 23 22 A I E +AB 120 162A 0 139,-3.1 139,-1.9 -2,-0.4 2,-0.3 -0.978 16.1 137.9-123.4 128.3 20.7 20.8 32.9 24 23 A K E -A 119 0A 14 95,-1.9 95,-3.5 -2,-0.4 2,-0.5 -0.981 54.8-101.7-156.8 164.4 17.4 21.8 34.4 25 24 A R E -A 118 0A 33 -2,-0.3 134,-0.3 93,-0.2 93,-0.2 -0.824 53.4-112.8 -81.8 125.6 15.1 24.6 35.4 26 25 A L - 0 0 5 91,-2.7 90,-2.2 -2,-0.5 2,-0.1 -0.374 31.6-134.5 -59.7 136.7 15.6 24.9 39.1 27 26 A S > - 0 0 47 88,-0.2 4,-1.9 1,-0.1 6,-0.3 -0.473 21.0-110.5 -83.3 168.6 12.4 23.9 40.9 28 27 A A H >>S+ 0 0 35 1,-0.2 5,-1.4 2,-0.2 4,-1.2 0.889 122.2 50.8 -63.2 -37.0 10.9 26.0 43.8 29 28 A N H 45S+ 0 0 57 4,-0.2 11,-0.4 2,-0.2 -1,-0.2 0.875 105.5 54.6 -64.8 -42.7 11.9 23.1 46.1 30 29 A D H 45S+ 0 0 1 1,-0.2 10,-0.2 9,-0.1 -2,-0.2 0.917 114.6 40.1 -55.1 -48.6 15.5 23.0 44.8 31 30 A T H <5S- 0 0 1 -4,-1.9 -1,-0.2 81,-0.1 -2,-0.2 0.671 113.5-114.4 -79.7 -18.6 16.0 26.7 45.6 32 31 A G T ><5S+ 0 0 25 -4,-1.2 3,-1.6 -5,-0.2 -3,-0.2 0.400 77.8 128.7 100.2 1.1 14.2 26.7 48.9 33 32 A A T 3 < + 0 0 49 -5,-1.4 -4,-0.2 1,-0.3 -5,-0.1 0.650 64.3 65.9 -63.4 -16.2 11.4 29.0 47.6 34 33 A T T 3 S- 0 0 75 -6,-0.9 -1,-0.3 2,-0.1 -5,-0.1 0.716 111.1-115.7 -79.2 -23.8 8.8 26.4 48.9 35 34 A G S < S+ 0 0 57 -3,-1.6 -2,-0.1 1,-0.4 2,-0.1 0.359 72.1 134.9 98.7 -3.4 9.6 27.0 52.5 36 35 A G - 0 0 37 1,-0.1 3,-0.4 -7,-0.0 -1,-0.4 -0.365 60.3-129.4 -76.9 159.2 10.8 23.4 52.8 37 36 A H S S+ 0 0 173 1,-0.2 -1,-0.1 -3,-0.1 -8,-0.0 -0.101 70.5 116.8 -98.5 32.8 14.1 22.4 54.6 38 37 A Q - 0 0 33 -9,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.816 46.8-171.8 -71.2 -27.6 15.6 20.2 51.8 39 38 A V + 0 0 80 -3,-0.4 63,-1.1 -10,-0.2 64,-0.4 0.842 54.1 75.6 33.7 49.6 18.5 22.6 51.4 40 39 A G E S-C 101 0A 0 -11,-0.4 2,-0.5 61,-0.2 61,-0.3 -0.992 82.0 -88.9-172.7 174.3 19.6 20.7 48.3 41 40 A L E -C 100 0A 2 59,-3.3 59,-2.0 -2,-0.3 2,-0.4 -0.825 30.5-130.2-103.4 126.5 19.1 19.7 44.7 42 41 A Y E -C 99 0A 91 -2,-0.5 57,-0.2 57,-0.2 -15,-0.1 -0.597 32.0-173.1 -67.7 127.9 16.9 17.0 43.4 43 42 A I E -C 98 0A 1 55,-1.3 55,-0.7 -2,-0.4 2,-0.1 -0.927 22.4-113.4-123.7 148.3 18.9 14.8 41.0 44 43 A P >> - 0 0 24 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.514 31.0-109.3 -80.9 156.0 17.8 11.9 38.7 45 44 A S H >> S+ 0 0 46 1,-0.3 4,-2.1 2,-0.2 3,-0.8 0.849 112.6 62.2 -45.9 -51.0 19.0 8.4 39.3 46 45 A G H 3> S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.794 95.4 61.7 -52.3 -33.0 21.2 8.3 36.1 47 46 A I H <> S+ 0 0 0 -3,-1.4 4,-2.9 2,-0.2 5,-0.3 0.959 109.5 41.0 -56.5 -46.1 23.4 11.1 37.5 48 47 A V H < + 0 0 0 -4,-2.3 3,-1.0 -5,-0.3 4,-0.4 -0.622 60.6 158.6-139.1 65.6 28.9 8.4 42.2 53 52 A P G > S+ 0 0 60 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.903 70.0 67.2 -62.0 -36.0 29.0 4.6 41.8 54 53 A S G 3 S+ 0 0 57 1,-0.3 10,-0.1 -3,-0.1 -5,-0.1 0.791 106.7 41.7 -58.7 -26.2 30.2 4.1 45.4 55 54 A I G < S+ 0 0 1 -3,-1.0 2,-2.0 -7,-0.2 -1,-0.3 0.438 86.5 106.0 -96.7 3.1 26.8 5.4 46.7 56 55 A N < + 0 0 57 -3,-2.5 2,-0.3 -4,-0.4 -1,-0.1 -0.405 64.7 71.8 -90.8 72.7 24.8 3.5 44.1 57 56 A H - 0 0 26 -2,-2.0 3,-0.1 3,-0.1 28,-0.1 -0.982 68.3-127.9-169.8 172.8 23.3 0.7 46.2 58 57 A T S S+ 0 0 54 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.119 78.7 97.4-127.1 31.7 20.9 -0.5 48.8 59 58 A R S S+ 0 0 187 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.201 91.0 32.4-107.3 15.7 23.2 -2.5 51.0 60 59 A E S S- 0 0 110 -3,-0.1 2,-0.4 27,-0.1 -3,-0.1 -0.940 96.1 -98.6-161.2 150.8 23.6 0.3 53.5 61 60 A L S S- 0 0 90 -2,-0.3 25,-0.1 1,-0.2 -3,-0.1 -0.681 91.6 -17.6 -86.9 130.4 21.1 3.0 54.5 62 61 A N S S- 0 0 45 -2,-0.4 -1,-0.2 23,-0.2 24,-0.2 0.869 78.0-160.9 47.8 53.1 21.4 6.5 52.9 63 62 A P + 0 0 4 0, 0.0 22,-2.3 0, 0.0 2,-0.3 -0.297 14.8 177.4 -61.5 148.7 25.0 6.2 51.5 64 63 A S E -D 84 0A 41 20,-0.2 2,-0.3 -10,-0.1 20,-0.2 -0.937 17.4-165.5-147.5 167.9 26.6 9.6 50.6 65 64 A V E -D 83 0A 29 18,-1.8 18,-2.3 -2,-0.3 2,-0.3 -0.960 21.3-118.9-151.7 157.5 29.9 11.0 49.4 66 65 A F E +D 82 0A 91 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.708 27.9 171.0-103.6 161.3 31.4 14.5 49.3 67 66 A L E -D 81 0A 2 14,-2.2 14,-2.1 -2,-0.3 2,-0.5 -0.976 37.2 -99.6-158.9 158.5 32.5 16.7 46.5 68 67 A T E -De 80 134A 47 65,-1.9 67,-2.6 -2,-0.3 2,-0.5 -0.755 30.8-157.6 -86.2 123.1 33.6 20.3 45.8 69 68 A A E -De 79 135A 3 10,-3.1 10,-1.7 -2,-0.5 2,-0.5 -0.882 13.0-178.6 -97.3 125.2 30.9 22.6 44.5 70 69 A H E - e 0 136A 68 65,-2.4 67,-2.7 -2,-0.5 2,-0.6 -0.996 18.0-144.7-129.8 130.9 32.3 25.5 42.7 71 70 A V E + e 0 137A 7 -2,-0.5 5,-0.2 5,-0.3 67,-0.2 -0.858 16.4 180.0-100.8 119.7 30.0 28.1 41.2 72 71 A S S S+ 0 0 32 65,-3.2 66,-0.2 -2,-0.6 -1,-0.1 0.727 77.8 51.8 -92.5 -24.4 31.2 29.6 37.9 73 72 A S S S+ 0 0 29 64,-1.0 2,-0.3 2,-0.0 -1,-0.2 0.568 112.7 40.6 -89.2 -14.9 28.4 32.1 37.2 74 73 A H S S- 0 0 63 63,-0.3 2,-0.7 2,-0.1 -3,-0.1 -0.939 83.2-112.0-135.6 149.3 28.5 33.8 40.6 75 74 A D + 0 0 173 -2,-0.3 -3,-0.1 32,-0.0 -2,-0.0 -0.837 65.8 136.7 -79.4 118.8 31.0 35.1 43.1 76 75 A C - 0 0 16 -2,-0.7 -5,-0.3 -5,-0.2 2,-0.1 -0.964 59.0 -96.7-171.3 132.9 30.2 32.6 45.8 77 76 A P - 0 0 108 0, 0.0 29,-0.1 0, 0.0 -8,-0.0 -0.477 42.2-114.0 -68.0 143.7 32.4 30.5 48.2 78 77 A D - 0 0 87 -2,-0.1 2,-0.3 -8,-0.1 -8,-0.2 -0.299 37.3-162.5 -58.4 153.3 33.0 26.9 47.2 79 78 A S E -D 69 0A 35 -10,-1.7 -10,-3.1 25,-0.1 2,-1.3 -0.971 30.6-110.5-140.1 164.2 31.6 24.2 49.4 80 79 A E E -D 68 0A 107 -2,-0.3 -12,-0.2 -12,-0.2 24,-0.1 -0.741 44.9-164.1 -82.2 91.1 31.8 20.5 50.2 81 80 A A E -D 67 0A 0 -14,-2.1 -14,-2.2 -2,-1.3 2,-0.4 -0.305 9.3-136.5 -79.3 163.0 28.5 19.4 48.7 82 81 A R E -DF 66 101A 54 19,-2.7 19,-2.4 -16,-0.2 2,-0.5 -0.981 6.9-153.6-130.8 114.5 27.1 16.0 49.7 83 82 A A E -DF 65 100A 0 -18,-2.3 -18,-1.8 -2,-0.4 2,-0.4 -0.777 24.6-173.2 -91.5 129.3 25.7 13.6 47.1 84 83 A I E -DF 64 99A 0 15,-3.4 15,-2.1 -2,-0.5 2,-0.7 -0.972 28.9-152.0-134.7 139.4 23.2 11.3 48.8 85 84 A Y E - F 0 98A 14 -22,-2.3 2,-1.0 -2,-0.4 13,-0.2 -0.877 15.5-159.7-105.1 95.7 21.1 8.2 47.9 86 85 A Y E + F 0 97A 52 11,-2.4 11,-2.4 -2,-0.7 3,-0.2 -0.666 27.7 158.1 -74.3 107.4 18.0 8.3 50.1 87 86 A N > + 0 0 0 -2,-1.0 3,-2.2 9,-0.2 4,-0.5 0.001 16.1 134.2-127.7 27.7 17.0 4.7 49.8 88 87 A S T 3 > + 0 0 12 1,-0.3 5,-3.0 2,-0.2 3,-0.4 0.627 58.6 81.5 -63.1 -11.5 14.9 3.9 52.8 89 88 A R T > 5S+ 0 0 172 6,-3.1 3,-0.8 1,-0.3 -1,-0.3 0.856 94.6 50.9 -59.0 -29.7 12.3 2.0 50.6 90 89 A H T < 5S+ 0 0 114 -3,-2.2 -1,-0.3 5,-0.4 -2,-0.2 0.783 108.0 51.9 -76.8 -23.8 14.8 -0.8 50.9 91 90 A F T 3 5S- 0 0 93 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.033 130.4 -84.5-104.2 30.8 14.9 -0.5 54.7 92 91 A G T < 5S+ 0 0 74 -3,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.527 102.2 86.7 89.5 5.3 11.2 -0.7 55.4 93 92 A K S - 0 0 39 -65,-0.2 3,-1.2 1,-0.1 -1,-0.1 -0.035 23.0 -91.9 103.6 150.5 25.6 26.9 51.3 105 104 A R T 3 S+ 0 0 241 1,-0.2 -1,-0.1 -2,-0.1 5,-0.1 0.775 125.3 52.0 -66.3 -26.3 23.0 29.5 52.2 106 105 A G T 3 S+ 0 0 68 -3,-0.1 -1,-0.2 -29,-0.1 -2,-0.1 0.396 82.5 113.5 -91.8 1.4 24.6 32.0 49.8 107 106 A S S X S- 0 0 5 -3,-1.2 3,-1.6 1,-0.1 4,-0.1 -0.364 74.7-125.6 -67.1 149.9 24.8 29.7 46.7 108 107 A P G > S+ 0 0 6 0, 0.0 3,-0.7 0, 0.0 6,-0.2 0.711 114.0 65.2 -65.2 -16.2 22.7 30.6 43.6 109 108 A L G 3 S+ 0 0 1 1,-0.2 -5,-0.1 -6,-0.1 -6,-0.1 0.459 106.3 41.5 -80.6 -0.9 21.4 27.0 44.1 110 109 A Q G < S+ 0 0 31 -3,-1.6 -1,-0.2 -7,-0.1 -79,-0.1 0.227 88.4 108.3-128.3 12.7 19.9 28.1 47.4 111 110 A D X - 0 0 59 -3,-0.7 3,-2.2 1,-0.1 -78,-0.1 -0.826 62.1-147.8 -93.0 115.0 18.5 31.5 46.2 112 111 A P G > S+ 0 0 65 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.729 93.8 65.3 -56.3 -20.5 14.7 31.4 46.0 113 112 A E G 3 S+ 0 0 168 1,-0.3 -85,-0.0 -82,-0.1 -82,-0.0 0.635 86.9 67.9 -80.3 -17.5 14.8 33.9 43.0 114 113 A N G X + 0 0 23 -3,-2.2 3,-2.4 -6,-0.2 -88,-0.3 0.240 68.0 132.6 -82.9 10.7 16.6 31.4 40.8 115 114 A T T < S+ 0 0 58 -3,-1.0 -88,-0.2 1,-0.3 -87,-0.1 -0.506 79.2 17.1 -60.2 121.7 13.4 29.3 40.7 116 115 A G T 3 S+ 0 0 35 -90,-2.2 -1,-0.3 -2,-0.3 2,-0.1 0.334 95.0 144.0 93.1 -7.3 12.9 28.5 37.1 117 116 A A < - 0 0 10 -3,-2.4 -91,-2.7 -92,-0.1 2,-0.7 -0.395 57.8-117.1 -66.8 135.5 16.5 29.5 36.3 118 117 A L E -A 25 0A 0 -93,-0.2 22,-2.7 -2,-0.1 2,-0.4 -0.698 43.2-173.3 -73.1 114.0 18.1 27.4 33.6 119 118 A T E -AG 24 139A 1 -95,-3.5 -95,-1.9 -2,-0.7 2,-0.5 -0.891 19.2-162.2-116.0 149.0 21.0 25.7 35.4 120 119 A L E -AG 23 138A 1 18,-2.7 18,-2.4 -2,-0.4 2,-0.6 -0.980 2.3-166.1-126.4 123.3 23.9 23.6 34.2 121 120 A L E -AG 22 137A 2 -99,-3.5 -99,-2.1 -2,-0.5 2,-0.8 -0.924 7.7-159.6-105.4 117.1 25.9 21.4 36.6 122 121 A A E -AG 21 136A 0 14,-3.6 14,-3.5 -2,-0.6 2,-0.5 -0.850 6.9-158.1 -99.6 106.1 29.1 20.2 35.0 123 122 A F E -AG 20 135A 0 -103,-3.2 -103,-2.5 -2,-0.8 2,-0.6 -0.755 15.4-132.5 -85.2 125.8 30.3 17.1 36.9 124 123 A K E -A 19 0A 64 10,-2.9 9,-0.6 -2,-0.5 10,-0.4 -0.706 25.9-129.1 -82.2 117.2 34.1 16.5 36.5 125 124 A L - 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G 0 120A 11 -18,-2.4 -18,-2.7 -2,-0.3 2,-0.6 -0.955 5.2-169.9-133.6 116.2 26.4 27.8 36.2 139 138 A V E - G 0 119A 0 -2,-0.4 -20,-0.2 -20,-0.2 -2,-0.0 -0.916 33.2-118.7-100.2 118.2 23.0 29.3 37.0 140 139 A C - 0 0 5 -22,-2.7 -22,-0.1 -2,-0.6 3,-0.1 -0.326 23.4-164.7 -61.9 137.2 21.9 31.5 34.0 141 140 A A + 0 0 75 1,-0.1 2,-0.3 -24,-0.1 -1,-0.2 0.626 65.7 19.8 -98.7 -15.3 21.5 35.1 35.2 142 141 A S S > S- 0 0 47 -139,-0.1 4,-1.9 1,-0.1 3,-0.4 -0.961 78.7-105.2-150.4 164.1 19.5 36.4 32.2 143 142 A T H > S+ 0 0 92 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.817 116.1 65.0 -61.1 -30.8 17.4 35.3 29.3 144 143 A D H > S+ 0 0 93 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.905 104.6 42.3 -55.9 -48.3 20.4 36.1 27.1 145 144 A E H >> S+ 0 0 7 -3,-0.4 4,-1.1 1,-0.2 3,-0.6 0.896 111.1 56.6 -69.0 -40.3 22.4 33.3 28.6 146 145 A E H 3X S+ 0 0 27 -4,-1.9 4,-2.7 1,-0.2 3,-0.3 0.879 102.0 57.5 -57.1 -38.5 19.4 31.0 28.6 147 146 A D H 3X S+ 0 0 72 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.839 98.2 60.4 -64.4 -29.4 19.1 31.5 24.8 148 147 A V H - 0 0 89 -2,-0.6 3,-2.4 3,-0.4 -132,-0.2 -0.888 28.7 -99.5-114.7 129.0 11.3 22.6 30.4 158 157 A P T 3 S+ 0 0 101 0, 0.0 -132,-0.1 0, 0.0 -1,-0.1 -0.123 109.5 15.7 -44.0 139.2 10.6 22.2 34.2 159 158 A G T 3 S+ 0 0 72 -134,-0.3 2,-1.0 1,-0.1 -135,-0.0 0.225 100.3 103.1 80.7 -17.5 10.5 18.5 35.1 160 159 A A < - 0 0 52 -3,-2.4 -3,-0.4 2,-0.0 2,-0.1 -0.762 64.0-156.0-107.6 94.0 12.2 17.4 31.9 161 160 A L - 0 0 63 -2,-1.0 2,-0.5 -5,-0.1 -137,-0.2 -0.443 8.3-159.5 -87.1 141.7 15.7 16.6 32.9 162 161 A I E +B 23 0A 42 -139,-1.9 -139,-3.1 -2,-0.1 2,-0.3 -0.972 21.3 154.5-117.4 131.1 18.7 16.7 30.5 163 162 A S E +B 22 0A 50 -2,-0.5 -141,-0.2 -141,-0.2 -117,-0.0 -0.989 8.7 116.7-153.2 155.0 21.9 15.0 31.2 164 163 A G E -B 21 0A 4 -143,-2.0 -143,-4.0 -2,-0.3 2,-0.1 -0.890 63.5 -50.6 159.9 165.4 24.8 13.5 29.3 165 164 A P E >> -B 20 0A 52 0, 0.0 4,-2.1 0, 0.0 3,-2.0 -0.419 52.8-120.0 -64.4 140.7 28.5 13.8 28.5 166 165 A A H 3> S+ 0 0 1 -147,-3.5 4,-2.5 1,-0.3 -146,-0.1 0.852 110.8 61.0 -47.3 -47.7 29.6 17.3 27.6 167 166 A G H 34 S+ 0 0 58 -148,-0.4 -1,-0.3 -150,-0.2 -147,-0.1 0.687 114.0 36.6 -59.9 -17.1 30.9 16.3 24.1 168 167 A Q H X4 S+ 0 0 134 -3,-2.0 3,-1.3 2,-0.1 4,-0.3 0.868 119.2 43.0 -99.5 -59.2 27.3 15.2 23.3 169 168 A I H 3< S+ 0 0 25 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.908 127.8 32.3 -53.1 -42.0 25.1 17.7 25.0 170 169 A L T >< S+ 0 0 5 -4,-2.5 3,-1.4 -5,-0.3 -1,-0.2 0.144 85.6 106.1-106.9 18.6 27.3 20.7 23.9 171 170 A G T < S+ 0 0 52 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.750 70.6 68.2 -70.1 -20.3 28.5 19.2 20.6 172 171 A G T 3 0 0 53 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.328 360.0 360.0 -85.2 3.5 26.2 21.6 18.8 173 172 A L < 0 0 88 -3,-1.4 -1,-0.2 -162,-0.1 -3,-0.1 -0.519 360.0 360.0 -76.8 360.0 28.2 24.7 19.8