==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 15-SEP-00 1FUE . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR J.FREIGANG,K.DIEDERICHS,K.P.SCHAEFER,W.WELTE,R.PAUL . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.7 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 26.4 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+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 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 46 0, 0.0 28,-0.3 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -71.9 -30.8 4.2 -26.8 2 3 A K + 0 0 150 26,-0.1 2,-0.7 2,-0.1 44,-0.5 0.814 360.0 82.1 -57.1 -37.9 -34.5 4.1 -27.7 3 4 A I E S-ab 28 46A 7 24,-1.6 26,-2.6 23,-0.1 2,-0.7 -0.607 72.0-150.9 -74.8 110.9 -34.3 1.0 -30.1 4 5 A G E -ab 29 47A 0 42,-2.6 44,-2.5 -2,-0.7 2,-0.8 -0.747 9.5-167.6 -87.1 116.9 -34.3 -2.1 -27.9 5 6 A I E -ab 30 48A 0 24,-2.8 26,-2.7 -2,-0.7 2,-0.4 -0.877 8.5-169.4-107.0 98.9 -32.3 -5.0 -29.6 6 7 A F E +ab 31 49A 0 42,-1.0 44,-2.3 -2,-0.8 2,-0.3 -0.779 10.3 171.7 -93.4 129.0 -33.1 -8.2 -27.7 7 8 A F E -ab 32 50A 7 24,-2.1 26,-3.2 -2,-0.4 27,-0.4 -0.894 19.7-160.0-133.0 162.6 -31.1 -11.3 -28.5 8 9 A G + 0 0 0 42,-0.9 2,-0.3 -2,-0.3 6,-0.1 -0.994 21.3 172.7-141.1 136.5 -30.6 -14.8 -27.1 9 10 A T - 0 0 24 -2,-0.4 53,-0.1 1,-0.1 25,-0.1 -0.986 33.5-176.0-149.8 159.5 -27.6 -17.0 -27.7 10 11 A D S S+ 0 0 124 -2,-0.3 -1,-0.1 51,-0.0 0, 0.0 0.712 97.7 21.9-114.5 -52.7 -25.8 -20.2 -26.9 11 12 A S S S- 0 0 114 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.898 109.7-105.8 -84.7 -46.6 -22.6 -20.0 -28.8 12 13 A G S > S+ 0 0 22 -4,-0.1 4,-2.4 3,-0.0 5,-0.2 0.260 87.0 113.2 138.8 -11.0 -22.4 -16.3 -29.3 13 14 A N H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.945 81.3 48.8 -54.1 -53.1 -23.3 -15.7 -32.9 14 15 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.918 110.2 51.6 -54.4 -47.3 -26.6 -14.0 -32.1 15 16 A E H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 110.9 48.1 -56.3 -44.9 -24.9 -11.7 -29.6 16 17 A A H X S+ 0 0 54 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.889 112.8 48.5 -64.7 -38.5 -22.3 -10.7 -32.2 17 18 A I H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.933 108.5 53.0 -65.8 -47.6 -25.1 -10.1 -34.8 18 19 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.874 110.1 50.2 -54.3 -39.6 -27.1 -8.0 -32.3 19 20 A E H X S+ 0 0 82 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.839 108.0 51.4 -68.0 -37.9 -24.0 -5.9 -31.8 20 21 A K H X S+ 0 0 69 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.849 110.9 48.8 -70.1 -34.1 -23.3 -5.4 -35.4 21 22 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.4 0.939 106.8 55.6 -71.4 -45.3 -26.9 -4.2 -36.0 22 23 A S H X S+ 0 0 17 -4,-2.2 4,-3.2 1,-0.2 3,-0.3 0.940 110.4 45.0 -49.3 -54.6 -26.7 -1.8 -33.1 23 24 A K H < S+ 0 0 178 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 115.9 47.6 -59.9 -36.0 -23.6 -0.1 -34.5 24 25 A A H < S+ 0 0 52 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.752 121.5 33.8 -79.1 -25.5 -25.2 -0.0 -38.0 25 26 A I H < S- 0 0 34 -4,-2.5 -2,-0.2 -3,-0.3 -3,-0.2 0.703 96.3-160.0-100.9 -26.4 -28.6 1.4 -36.9 26 27 A G < + 0 0 29 -4,-3.2 -23,-0.1 -5,-0.4 3,-0.1 0.141 62.2 67.3 67.8 171.7 -27.3 3.6 -34.1 27 28 A N S S+ 0 0 93 1,-0.2 -24,-1.6 -4,-0.1 2,-0.3 0.922 83.0 129.5 44.1 56.8 -29.4 4.9 -31.2 28 29 A A E -a 3 0A 21 -26,-0.2 2,-0.4 -27,-0.1 -24,-0.2 -0.970 52.0-147.8-143.2 157.7 -29.8 1.4 -29.8 29 30 A E E -a 4 0A 86 -26,-2.6 -24,-2.8 -2,-0.3 2,-0.4 -0.986 17.9-143.2-126.0 122.3 -29.4 -0.7 -26.6 30 31 A V E -a 5 0A 38 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.689 21.9-175.4 -85.5 136.1 -28.5 -4.4 -26.8 31 32 A V E -a 6 0A 12 -26,-2.7 -24,-2.1 -2,-0.4 2,-0.4 -0.979 24.4-135.0-139.0 125.2 -30.2 -6.6 -24.3 32 33 A D E >> -a 7 0A 30 -2,-0.4 3,-1.7 -26,-0.2 4,-0.7 -0.636 15.3-146.2 -75.6 125.3 -29.7 -10.3 -23.5 33 34 A V G >4 S+ 0 0 3 -26,-3.2 3,-0.6 -2,-0.4 -1,-0.2 0.818 93.3 73.8 -62.7 -30.9 -33.2 -11.8 -23.2 34 35 A A G 34 S+ 0 0 50 -27,-0.4 -1,-0.3 1,-0.3 -26,-0.1 0.623 111.4 29.7 -59.3 -10.3 -31.9 -14.2 -20.5 35 36 A K G <4 S+ 0 0 160 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.422 100.5 107.8-124.7 -8.6 -31.9 -11.2 -18.2 36 37 A A << - 0 0 17 -4,-0.7 2,-0.3 -3,-0.6 3,-0.1 -0.137 50.7-155.1 -68.8 168.2 -34.7 -9.2 -19.8 37 38 A S > - 0 0 35 1,-0.1 4,-2.5 32,-0.0 5,-0.1 -0.916 30.1-111.2-139.5 163.4 -38.1 -8.7 -18.2 38 39 A K H > S+ 0 0 70 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.907 118.3 51.4 -62.3 -42.8 -41.6 -7.9 -19.5 39 40 A E H 4 S+ 0 0 139 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.909 111.7 45.3 -61.0 -47.6 -41.5 -4.4 -17.9 40 41 A Q H >4 S+ 0 0 66 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.945 111.4 54.8 -61.6 -47.0 -38.1 -3.6 -19.4 41 42 A F H >< S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.878 105.6 50.7 -52.7 -46.3 -39.3 -4.9 -22.8 42 43 A N T 3< S+ 0 0 55 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.531 90.1 82.1 -74.1 -4.1 -42.4 -2.6 -22.8 43 44 A G T < S+ 0 0 63 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.3 0.620 86.4 67.8 -74.3 -11.8 -40.1 0.3 -22.1 44 45 A F < - 0 0 19 -3,-1.4 3,-0.1 -4,-0.3 -41,-0.1 -0.827 56.7-168.5-110.2 150.4 -39.3 0.4 -25.8 45 46 A T S S+ 0 0 85 -2,-0.3 34,-1.9 -43,-0.3 2,-0.4 0.551 83.9 49.4-105.9 -18.4 -41.6 1.4 -28.6 46 47 A K E S+bc 3 79A 33 -44,-0.5 -42,-2.6 32,-0.2 2,-0.3 -0.987 72.5 174.4-125.5 128.8 -39.1 0.1 -31.3 47 48 A V E -bc 4 80A 0 32,-2.5 34,-1.9 -2,-0.4 2,-0.5 -0.984 25.4-156.9-141.2 147.4 -37.5 -3.3 -31.1 48 49 A I E -bc 5 81A 2 -44,-2.5 -42,-1.0 -2,-0.3 2,-0.8 -0.962 16.5-159.3-124.0 113.2 -35.2 -5.6 -33.0 49 50 A L E -bc 6 82A 0 32,-3.1 34,-2.9 -2,-0.5 2,-0.6 -0.808 8.9-176.1 -98.9 105.1 -35.5 -9.3 -32.1 50 51 A V E +bc 7 83A 0 -44,-2.3 -42,-0.9 -2,-0.8 34,-0.2 -0.891 12.4 168.6-105.5 119.8 -32.6 -11.5 -33.1 51 52 A A E - c 0 84A 0 32,-2.7 34,-1.7 -2,-0.6 48,-0.4 -0.989 27.2-139.3-138.3 129.5 -33.0 -15.1 -32.3 52 53 A P E - c 0 85A 21 0, 0.0 8,-1.1 0, 0.0 2,-0.6 -0.487 31.8-110.6 -80.6 153.0 -31.1 -18.3 -33.3 53 54 A T B -F 59 0B 35 32,-1.5 6,-0.2 6,-0.2 5,-0.1 -0.771 30.5-155.6 -92.4 122.7 -33.0 -21.4 -34.3 54 55 A A > - 0 0 34 4,-3.5 3,-2.0 -2,-0.6 4,-0.2 -0.218 43.4 -52.9 -84.4 178.6 -32.8 -24.4 -31.9 55 56 A G G > S+ 0 0 51 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 -0.175 125.8 16.6 -54.5 142.7 -33.3 -28.1 -32.8 56 57 A A G 3 S- 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.340 131.6 -70.5 76.6 -7.3 -36.5 -28.9 -34.7 57 58 A G G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.487 97.2 137.6 101.1 5.1 -36.9 -25.3 -35.6 58 59 A D < - 0 0 68 -3,-1.4 -4,-3.5 -4,-0.2 -1,-0.3 -0.332 58.8 -83.3 -82.8 166.2 -37.8 -24.2 -32.1 59 60 A L B -F 53 0B 3 -6,-0.2 -6,-0.2 39,-0.2 -1,-0.1 -0.362 47.2 -96.2 -72.5 145.6 -36.6 -21.1 -30.2 60 61 A Q > - 0 0 1 -8,-1.1 4,-2.4 -52,-0.1 3,-0.4 -0.250 46.4-107.0 -53.2 145.3 -33.3 -20.9 -28.4 61 62 A T H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.908 116.5 51.8 -45.8 -61.0 -33.9 -21.6 -24.7 62 63 A D H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 114.0 46.3 -45.7 -44.7 -33.5 -18.1 -23.4 63 64 A W H > S+ 0 0 0 -3,-0.4 4,-3.3 2,-0.2 5,-0.3 0.910 106.8 55.1 -68.9 -44.0 -36.0 -16.8 -26.0 64 65 A E H X S+ 0 0 91 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.883 112.3 44.7 -57.7 -38.0 -38.6 -19.5 -25.5 65 66 A D H < S+ 0 0 113 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.842 115.9 45.4 -76.0 -34.8 -38.8 -18.7 -21.8 66 67 A F H >< S+ 0 0 14 -4,-1.7 3,-1.3 -5,-0.3 -2,-0.2 0.913 112.6 51.1 -73.9 -41.3 -38.8 -14.9 -22.3 67 68 A L H >< S+ 0 0 15 -4,-3.3 3,-1.9 1,-0.3 -2,-0.2 0.831 100.2 65.3 -63.8 -33.1 -41.4 -15.1 -25.1 68 69 A G T 3< S+ 0 0 54 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.672 98.0 53.5 -65.4 -17.4 -43.6 -17.3 -22.8 69 70 A T T < S+ 0 0 72 -3,-1.3 2,-0.4 -4,-0.3 -1,-0.3 0.347 100.7 81.4 -97.6 5.9 -44.1 -14.3 -20.5 70 71 A L < - 0 0 0 -3,-1.9 2,-0.2 -4,-0.1 -32,-0.0 -0.882 59.2-164.3-115.6 146.0 -45.2 -12.2 -23.4 71 72 A E > - 0 0 104 -2,-0.4 3,-0.7 34,-0.0 4,-0.4 -0.657 39.3-100.9-114.9 173.8 -48.6 -11.9 -25.0 72 73 A A T >> S+ 0 0 45 1,-0.2 3,-1.9 -2,-0.2 4,-1.7 0.860 117.8 66.5 -65.2 -36.2 -49.7 -10.3 -28.4 73 74 A S H 3> S+ 0 0 86 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.843 93.8 60.1 -55.0 -33.3 -50.9 -7.2 -26.6 74 75 A D H <4 S+ 0 0 16 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.705 108.9 42.7 -68.4 -19.7 -47.3 -6.5 -25.6 75 76 A F H X4 S+ 0 0 1 -3,-1.9 3,-2.6 -4,-0.4 35,-0.4 0.730 90.5 91.9 -95.7 -24.6 -46.3 -6.3 -29.2 76 77 A A H 3< S+ 0 0 54 -4,-1.7 34,-0.2 1,-0.3 -2,-0.1 0.791 90.3 38.4 -34.6 -56.8 -49.4 -4.3 -30.3 77 78 A N T 3< S+ 0 0 110 -4,-0.6 -1,-0.3 32,-0.1 2,-0.2 0.175 103.1 88.5 -89.8 18.3 -47.9 -0.8 -29.9 78 79 A K S < S- 0 0 3 -3,-2.6 32,-2.5 28,-0.1 2,-0.5 -0.710 70.3-128.6-116.4 165.7 -44.4 -1.5 -31.2 79 80 A T E -cd 46 110A 21 -34,-1.9 -32,-2.5 -2,-0.2 2,-0.4 -0.965 38.5-157.6-109.0 127.5 -42.6 -1.5 -34.5 80 81 A I E -cd 47 111A 1 30,-3.3 32,-2.6 -2,-0.5 2,-0.4 -0.909 21.8-171.9-121.4 139.3 -40.8 -4.8 -34.8 81 82 A G E -c 48 0A 0 -34,-1.9 -32,-3.1 -2,-0.4 2,-0.5 -0.980 15.1-153.5-122.7 131.2 -37.8 -6.2 -36.7 82 83 A L E -c 49 0A 0 30,-0.5 54,-2.2 -2,-0.4 2,-0.5 -0.910 12.5-179.5-112.2 131.4 -37.0 -9.9 -36.8 83 84 A V E -ce 50 136A 0 -34,-2.9 -32,-2.7 -2,-0.5 2,-0.3 -0.956 10.0-173.0-129.3 111.0 -33.6 -11.3 -37.3 84 85 A G E -ce 51 137A 0 52,-2.8 54,-2.8 -2,-0.5 2,-0.4 -0.783 12.2-147.5-107.5 151.5 -33.2 -15.1 -37.3 85 86 A L E +ce 52 138A 12 -34,-1.7 -32,-1.5 -2,-0.3 2,-0.3 -0.912 28.7 155.0-113.8 141.5 -30.1 -17.3 -37.4 86 87 A G - 0 0 10 52,-2.4 2,-0.6 -2,-0.4 55,-0.5 -0.980 45.7-121.2-159.5 171.5 -29.9 -20.7 -39.0 87 88 A D > - 0 0 27 -2,-0.3 4,-2.3 7,-0.1 52,-0.1 -0.854 25.8-178.9-120.6 90.3 -28.0 -23.5 -40.7 88 89 A Q T 4 S+ 0 0 0 -2,-0.6 35,-0.2 2,-0.2 -1,-0.1 0.711 80.0 47.0 -64.0 -25.4 -29.5 -23.9 -44.2 89 90 A D T >4 S+ 0 0 74 2,-0.1 3,-0.7 1,-0.1 -1,-0.2 0.949 118.7 36.2 -82.1 -54.6 -27.2 -26.8 -45.2 90 91 A T T 34 S+ 0 0 95 1,-0.3 -2,-0.2 2,-0.1 2,-0.1 0.796 130.9 33.6 -68.1 -28.1 -27.4 -28.9 -42.1 91 92 A Y T >< + 0 0 123 -4,-2.3 3,-1.1 1,-0.1 -1,-0.3 -0.503 66.3 159.8-129.0 65.0 -31.1 -28.1 -41.6 92 93 A S T < S+ 0 0 48 -3,-0.7 31,-2.9 1,-0.3 32,-1.2 0.712 77.4 46.8 -58.3 -24.6 -32.7 -27.7 -45.0 93 94 A E B 3 S+g 124 0C 139 30,-0.3 -1,-0.3 1,-0.2 32,-0.2 -0.288 118.1 35.9-117.3 51.0 -36.2 -28.3 -43.7 94 95 A T S X S+ 0 0 31 -3,-1.1 3,-1.1 30,-0.7 2,-0.4 0.106 76.3 172.2 178.2 22.5 -36.2 -26.0 -40.6 95 96 A F T 3 S- 0 0 1 29,-1.3 32,-0.3 -3,-0.3 -9,-0.1 -0.312 72.1 -30.0 -58.3 109.1 -34.1 -23.1 -41.9 96 97 A A T 3 S+ 0 0 1 -2,-0.4 4,-0.3 -11,-0.1 -1,-0.3 0.912 83.2 153.0 49.7 56.4 -34.2 -20.3 -39.3 97 98 A E X> + 0 0 13 -3,-1.1 3,-1.1 -43,-0.2 4,-1.1 0.685 48.2 86.3 -87.7 -19.2 -37.7 -21.0 -38.0 98 99 A G H >> S+ 0 0 0 -40,-0.3 3,-1.9 1,-0.3 4,-1.3 0.928 84.8 58.8 -42.4 -56.7 -37.2 -19.6 -34.5 99 100 A I H 3> S+ 0 0 5 -48,-0.4 4,-3.1 1,-0.3 -1,-0.3 0.820 96.8 62.3 -40.8 -44.2 -38.2 -16.2 -35.8 100 101 A F H <> S+ 0 0 40 -3,-1.1 4,-1.3 -4,-0.3 -1,-0.3 0.889 100.4 52.4 -53.5 -43.1 -41.5 -17.6 -36.9 101 102 A H H << S+ 0 0 41 -3,-1.9 4,-0.4 -4,-1.1 3,-0.4 0.899 110.0 47.0 -63.2 -40.6 -42.4 -18.5 -33.3 102 103 A I H >X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 3,-2.2 0.948 106.9 60.8 -62.4 -44.7 -41.7 -14.9 -32.2 103 104 A Y H 3X S+ 0 0 43 -4,-3.1 4,-2.3 1,-0.3 -2,-0.2 0.785 86.5 75.0 -51.1 -33.0 -43.8 -13.9 -35.2 104 105 A E H 3< S+ 0 0 81 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.784 115.4 19.6 -53.9 -29.4 -46.8 -15.7 -33.8 105 106 A K H X4 S+ 0 0 53 -3,-2.2 3,-1.9 -4,-0.4 -2,-0.2 0.739 118.0 64.6-109.5 -35.2 -47.2 -12.9 -31.3 106 107 A A H >< S+ 0 0 0 -4,-2.5 3,-2.6 1,-0.3 -3,-0.2 0.772 83.2 77.1 -60.5 -27.7 -45.2 -10.1 -33.0 107 108 A K T 3< S+ 0 0 116 -4,-2.3 -1,-0.3 1,-0.3 4,-0.2 0.663 80.4 74.4 -58.5 -13.5 -47.7 -10.0 -35.9 108 109 A A T < S+ 0 0 47 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.727 101.4 41.4 -70.5 -23.7 -49.9 -8.1 -33.4 109 110 A G S < S- 0 0 15 -3,-2.6 2,-0.9 -4,-0.2 -33,-0.2 -0.254 114.5 -63.3-107.0-162.0 -47.7 -5.0 -33.8 110 111 A K E -d 79 0A 117 -32,-2.5 -30,-3.3 -35,-0.4 2,-0.4 -0.767 52.7-166.0 -93.3 104.8 -46.1 -3.4 -36.9 111 112 A V E +d 80 0A 22 -2,-0.9 2,-0.3 -32,-0.2 -30,-0.2 -0.707 13.4 167.5 -91.3 138.2 -43.6 -5.9 -38.4 112 113 A V + 0 0 16 -32,-2.6 -30,-0.5 -2,-0.4 46,-0.1 -0.985 41.8 66.1-146.8 154.0 -41.1 -4.6 -40.9 113 114 A G + 0 0 2 -2,-0.3 -1,-0.1 1,-0.2 45,-0.1 0.636 53.7 171.7 107.4 18.5 -37.9 -5.9 -42.6 114 115 A Q - 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