==== 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 TRANSPORT PROTEIN 23-OCT-06 2NMR . COMPND 2 MOLECULE: AMMONIA CHANNEL; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.LUPO,F.K.WINKLER . 363 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 81.0 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 . 5 1.4 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 . 2 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 . 7 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 4.4 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 1 0 1 0 0 2 0 0 0 1 1 2 0 0 1 0 2 1 0 1 0 0 0 0 0 1 1 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.3 38.9 27.5 44.8 2 3 A A - 0 0 78 88,-0.1 2,-0.4 1,-0.1 88,-0.2 0.081 360.0-159.0 -36.7 127.9 41.0 27.0 41.5 3 4 A V - 0 0 120 89,-0.1 2,-0.1 86,-0.1 -1,-0.1 -0.930 19.5-115.7-117.2 135.9 43.4 29.8 40.5 4 5 A A - 0 0 16 -2,-0.4 2,-0.6 84,-0.2 90,-0.2 -0.440 20.9-138.2 -70.3 141.4 44.8 30.4 37.0 5 6 A D > - 0 0 78 88,-3.2 4,-2.6 1,-0.1 3,-0.4 -0.915 5.9-147.4-101.1 121.3 48.5 30.1 36.6 6 7 A K H > S+ 0 0 175 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.800 97.9 57.6 -58.2 -32.5 49.8 32.9 34.3 7 8 A A H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 111.1 43.1 -65.8 -40.7 52.6 30.6 32.9 8 9 A D H > S+ 0 0 11 -3,-0.4 4,-2.9 85,-0.2 5,-0.2 0.907 112.6 52.8 -73.3 -39.2 49.9 28.2 31.8 9 10 A N H X S+ 0 0 10 -4,-2.6 4,-2.3 84,-0.3 5,-0.2 0.950 112.6 45.3 -57.1 -50.7 47.7 31.1 30.5 10 11 A A H X S+ 0 0 50 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.924 114.5 47.4 -57.5 -51.8 50.6 32.3 28.4 11 12 A F H X S+ 0 0 55 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.912 114.3 46.8 -58.8 -46.5 51.5 28.9 27.1 12 13 A M H X S+ 0 0 1 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.811 111.0 50.2 -70.0 -33.4 47.9 28.0 26.2 13 14 A M H X S+ 0 0 102 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.923 114.7 44.7 -70.1 -44.0 47.2 31.4 24.4 14 15 A I H X S+ 0 0 109 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.932 112.5 52.3 -65.0 -42.1 50.4 31.0 22.3 15 16 A C H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.873 108.0 52.3 -60.3 -36.6 49.5 27.3 21.7 16 17 A T H X S+ 0 0 9 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.921 107.6 50.3 -66.1 -42.7 46.1 28.4 20.5 17 18 A A H X S+ 0 0 57 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.929 110.0 52.0 -61.1 -41.1 47.7 30.9 18.1 18 19 A L H X S+ 0 0 47 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.894 110.3 47.6 -61.5 -40.5 49.9 28.1 16.8 19 20 A V H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 3,-0.5 0.910 110.4 51.1 -68.4 -40.0 46.8 25.8 16.2 20 21 A L H >X S+ 0 0 61 -4,-2.7 4,-2.8 1,-0.2 3,-0.9 0.895 104.7 58.8 -61.1 -38.0 45.0 28.6 14.4 21 22 A F H 3<>S+ 0 0 81 -4,-2.2 5,-2.5 1,-0.2 -1,-0.2 0.800 94.9 66.0 -59.0 -32.5 48.2 29.0 12.2 22 23 A M H 3<>S+ 0 0 2 -4,-1.0 5,-2.8 -3,-0.5 -1,-0.2 0.856 114.4 28.2 -59.9 -37.3 47.7 25.4 11.1 23 24 A T H <<>S+ 0 0 0 -3,-0.9 5,-1.2 -4,-0.8 -2,-0.2 0.907 112.6 70.5 -87.2 -52.2 44.4 26.3 9.3 24 25 A I T <5S- 0 0 66 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 -0.872 135.3 -22.5-112.5 95.6 45.2 29.9 8.4 25 26 A P T >5S+ 0 0 45 0, 0.0 4,-2.6 0, 0.0 5,-0.3 -0.966 128.6 78.1-109.2 5.9 47.3 29.5 6.3 26 27 A G H >X S+ 0 0 8 -4,-2.6 4,-2.9 1,-0.2 3,-0.7 0.855 111.2 67.8 -67.6 -32.8 46.0 21.8 -0.4 32 33 A G H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.842 103.5 41.5 -55.9 -37.8 46.7 25.0 -2.5 33 34 A G H 3< S+ 0 0 0 -4,-1.7 151,-1.9 -3,-0.5 -1,-0.3 0.648 117.8 49.5 -84.9 -15.0 49.8 23.5 -4.0 34 35 A L H << S+ 0 0 37 -4,-0.7 149,-0.2 -3,-0.7 -2,-0.2 0.886 96.8 70.8 -88.2 -50.1 48.2 20.1 -4.5 35 36 A I S < S- 0 0 2 -4,-2.9 148,-0.4 1,-0.1 149,-0.1 -0.193 101.0 -73.7 -69.0 163.6 44.9 20.9 -6.2 36 37 A R > - 0 0 159 1,-0.1 3,-2.1 146,-0.1 4,-0.4 -0.306 42.5-120.4 -59.4 139.6 44.5 22.1 -9.8 37 38 A G G > S+ 0 0 37 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.816 110.5 59.7 -48.2 -43.2 45.6 25.8 -10.3 38 39 A K G 3 S+ 0 0 163 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.634 108.1 46.7 -65.4 -15.3 42.2 26.9 -11.6 39 40 A N G <> S+ 0 0 39 -3,-2.1 4,-2.0 2,-0.1 -1,-0.2 0.433 86.2 91.6-106.4 -1.1 40.6 25.8 -8.3 40 41 A V H <> S+ 0 0 17 -3,-1.3 4,-2.6 -4,-0.4 5,-0.2 0.943 85.2 47.6 -60.9 -52.0 43.1 27.4 -5.9 41 42 A L H > S+ 0 0 136 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.917 113.3 48.2 -57.4 -45.7 41.3 30.7 -5.3 42 43 A S H > S+ 0 0 53 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.895 111.5 50.0 -63.4 -41.1 38.0 29.1 -4.7 43 44 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.909 109.4 50.6 -65.4 -42.5 39.4 26.6 -2.3 44 45 A L H X S+ 0 0 52 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.869 111.2 50.1 -62.8 -36.6 41.2 29.4 -0.3 45 46 A T H X S+ 0 0 70 -4,-2.0 4,-3.1 -5,-0.2 5,-0.3 0.959 111.6 47.8 -65.0 -50.8 37.9 31.3 -0.2 46 47 A Q H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.879 112.4 48.1 -58.2 -43.5 36.0 28.2 1.1 47 48 A V H X S+ 0 0 1 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.909 115.1 46.2 -65.1 -40.9 38.6 27.4 3.8 48 49 A T H X S+ 0 0 78 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.942 116.2 43.3 -66.8 -49.1 38.6 31.1 4.9 49 50 A V H X S+ 0 0 59 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.882 116.0 46.8 -65.6 -42.3 34.9 31.5 5.0 50 51 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.789 108.8 56.7 -70.9 -28.0 34.2 28.1 6.7 51 52 A F H X S+ 0 0 42 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.944 109.0 46.6 -64.9 -46.6 36.9 28.8 9.2 52 53 A A H X S+ 0 0 50 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.940 110.7 52.4 -59.1 -49.0 35.0 32.0 10.1 53 54 A L H X S+ 0 0 44 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.902 109.2 49.4 -53.7 -44.9 31.7 30.0 10.3 54 55 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.930 107.9 53.6 -62.8 -46.4 33.3 27.5 12.7 55 56 A C H X S+ 0 0 46 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.883 114.2 43.1 -54.3 -43.5 34.7 30.2 15.0 56 57 A I H X S+ 0 0 108 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.940 113.5 48.2 -71.5 -48.3 31.2 31.8 15.2 57 58 A L H X>S+ 0 0 22 -4,-2.9 5,-2.9 1,-0.2 4,-2.4 0.869 109.7 57.3 -59.9 -34.1 29.2 28.5 15.7 58 59 A W H <>S+ 0 0 5 -4,-2.6 5,-3.1 -5,-0.2 6,-0.4 0.947 112.4 37.6 -60.9 -50.4 31.8 27.6 18.4 59 60 A V H <5S+ 0 0 47 -4,-1.6 22,-1.1 3,-0.2 23,-0.6 0.888 115.3 54.4 -71.1 -40.0 31.2 30.7 20.5 60 61 A V H <5S- 0 0 49 -4,-2.7 21,-1.3 20,-0.2 -2,-0.2 0.949 142.7 -36.5 -61.0 -51.6 27.4 30.7 19.9 61 62 A Y T X5S+ 0 0 46 -4,-2.4 4,-2.2 19,-0.2 -3,-0.2 0.457 115.5 90.7-150.3 -14.3 26.7 27.1 21.0 62 63 A G H > S+ 0 0 0 -6,-0.4 4,-1.8 15,-0.4 12,-1.6 0.881 112.5 44.7 -59.0 -44.7 28.8 24.7 25.4 65 66 A L H < S+ 0 0 32 -4,-2.2 10,-3.6 10,-0.2 -1,-0.2 0.749 120.3 41.2 -73.9 -25.6 27.5 21.5 23.6 66 67 A A H < S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.862 131.6 19.6 -88.3 -43.0 31.0 20.0 23.5 67 68 A F H < S+ 0 0 32 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.460 96.2 101.1-112.3 -0.1 32.3 20.9 27.0 68 69 A G S < S- 0 0 1 -4,-1.8 2,-0.5 -5,-0.4 -4,-0.0 -0.364 86.1 -93.3 -77.6 163.9 29.2 21.7 29.1 69 70 A E S S+ 0 0 177 6,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.680 73.6 120.8 -82.1 126.8 28.1 19.0 31.4 70 71 A G - 0 0 46 -2,-0.5 5,-0.3 1,-0.4 2,-0.1 -0.186 62.7 -49.4-145.5-117.3 25.4 16.9 29.8 71 72 A N S S- 0 0 75 3,-2.5 -1,-0.4 4,-0.3 5,-0.0 -0.337 70.4 -71.7-117.9-159.6 25.2 13.2 29.1 72 73 A N S S+ 0 0 65 78,-0.2 79,-2.2 1,-0.1 80,-0.3 0.695 128.8 35.8 -72.6 -19.0 27.6 10.7 27.4 73 74 A F S S+ 0 0 77 1,-0.3 72,-0.3 77,-0.2 2,-0.3 0.785 122.5 9.1-107.0 -34.6 27.0 12.2 23.9 74 75 A F - 0 0 102 1,-0.2 -3,-2.5 70,-0.1 -1,-0.3 -0.957 59.0-133.4-145.2 163.5 26.6 16.0 24.2 75 76 A G - 0 0 3 -10,-3.6 -4,-0.3 -2,-0.3 -10,-0.2 0.577 41.1 -88.3 -83.0-124.7 26.9 18.8 26.8 76 77 A N - 0 0 30 -12,-1.6 -8,-0.2 -6,-0.1 -1,-0.2 -0.778 17.9-112.9-142.9-174.3 24.3 21.5 27.4 77 78 A I S > S+ 0 0 115 -2,-0.2 3,-0.7 1,-0.1 -12,-0.1 0.042 80.7 106.0-116.6 23.9 23.1 25.0 26.2 78 79 A N T 3 S+ 0 0 96 1,-0.2 -1,-0.1 -14,-0.2 -17,-0.0 0.510 78.0 55.6 -80.7 -4.8 23.9 26.8 29.5 79 80 A W T > + 0 0 54 -3,-0.2 3,-1.9 -18,-0.1 -15,-0.4 -0.221 69.8 156.7-120.8 41.4 27.0 28.5 27.8 80 81 A L G X S- 0 0 80 -3,-0.7 3,-1.8 1,-0.3 -19,-0.2 -0.544 83.6 -2.2 -69.1 125.8 25.4 30.1 24.7 81 82 A M G 3 S- 0 0 122 -21,-1.3 -1,-0.3 -22,-1.1 -21,-0.2 0.823 130.9 -69.3 58.9 28.6 27.6 33.0 23.6 82 83 A L G X S+ 0 0 14 -3,-1.9 3,-1.5 -23,-0.6 -1,-0.3 0.701 85.5 169.6 61.5 24.3 29.7 32.0 26.7 83 84 A K T < + 0 0 150 -3,-1.8 -1,-0.2 1,-0.2 3,-0.1 -0.298 62.0 23.6 -62.6 149.5 27.0 33.3 29.0 84 85 A N T 3 S+ 0 0 129 1,-0.2 2,-0.8 -5,-0.1 -1,-0.2 0.422 90.8 116.6 72.2 -1.7 27.4 32.3 32.7 85 86 A I < - 0 0 11 -3,-1.5 -1,-0.2 4,-0.0 2,-0.1 -0.874 64.1-139.7 -97.9 110.2 31.2 31.9 32.2 86 87 A E > - 0 0 143 -2,-0.8 3,-2.5 1,-0.1 10,-0.2 -0.427 16.8-120.7 -65.9 143.7 32.7 34.5 34.4 87 88 A L T 3 S+ 0 0 126 1,-0.3 10,-0.4 -2,-0.1 -1,-0.1 0.897 116.5 47.4 -53.0 -39.1 35.7 36.2 32.8 88 89 A T T 3 S+ 0 0 100 7,-0.1 -1,-0.3 8,-0.1 -84,-0.2 0.324 82.3 131.1 -87.0 10.0 37.8 35.0 35.8 89 90 A A < - 0 0 24 -3,-2.5 7,-3.0 6,-0.1 8,-0.4 -0.418 46.2-148.7 -66.1 138.1 36.5 31.4 35.6 90 91 A V E -A 95 0A 33 5,-0.3 2,-0.5 -88,-0.2 5,-0.2 -0.899 14.6-170.1-111.4 138.3 39.3 28.9 35.7 91 92 A M E > S-A 94 0A 58 3,-3.1 3,-1.6 -2,-0.4 2,-0.6 -0.986 73.6 -34.0-127.7 112.4 39.2 25.5 34.0 92 93 A G T 3 S- 0 0 65 -2,-0.5 -89,-0.1 1,-0.2 117,-0.1 -0.642 126.6 -31.2 76.8-114.7 42.2 23.3 35.1 93 94 A S T 3 S+ 0 0 33 -2,-0.6 -88,-3.2 115,-0.4 2,-0.3 0.182 126.9 65.6-122.0 13.8 45.0 25.8 35.6 94 95 A I E < S-A 91 0A 0 -3,-1.6 -3,-3.1 -90,-0.2 2,-0.1 -0.879 94.3 -81.9-130.8 163.8 44.0 28.4 33.0 95 96 A Y E >> -A 90 0A 87 -2,-0.3 3,-1.4 -5,-0.2 4,-1.2 -0.426 39.4-125.4 -65.6 138.9 41.2 30.9 32.5 96 97 A Q H 3> S+ 0 0 15 -7,-3.0 4,-2.5 1,-0.3 5,-0.2 0.814 109.0 65.6 -56.2 -34.4 38.2 29.1 30.9 97 98 A Y H 3> S+ 0 0 100 -8,-0.4 4,-1.9 -10,-0.4 -1,-0.3 0.829 100.7 52.0 -58.8 -31.9 38.1 31.7 28.0 98 99 A I H <> S+ 0 0 16 -3,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.903 107.9 50.2 -71.1 -41.3 41.6 30.3 27.0 99 100 A H H X S+ 0 0 31 -4,-1.2 4,-2.6 2,-0.2 5,-0.3 0.897 108.3 54.1 -62.7 -39.3 40.1 26.7 27.0 100 101 A V H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.955 113.6 41.9 -59.4 -48.1 37.2 28.0 24.8 101 102 A A H X S+ 0 0 49 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.927 114.9 49.4 -66.2 -45.4 39.8 29.4 22.3 102 103 A F H X S+ 0 0 3 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.952 114.9 44.2 -58.7 -51.4 42.1 26.4 22.3 103 104 A Q H X S+ 0 0 24 -4,-2.6 4,-1.4 1,-0.2 3,-0.4 0.872 110.7 54.7 -62.5 -38.4 39.3 24.0 21.8 104 105 A G H X S+ 0 0 9 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.873 102.0 58.8 -63.1 -35.3 37.7 26.1 19.1 105 106 A S H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.846 103.4 52.6 -63.1 -32.6 41.1 26.1 17.2 106 107 A F H X S+ 0 0 1 -4,-1.1 4,-1.9 -3,-0.4 -1,-0.2 0.865 106.7 51.5 -70.4 -38.7 40.8 22.3 17.1 107 108 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.899 109.3 53.4 -64.1 -39.5 37.3 22.4 15.5 108 109 A C H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.927 109.0 45.1 -62.7 -46.7 38.7 24.8 12.9 109 110 A I H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.913 111.1 54.4 -67.1 -36.2 41.6 22.6 11.8 110 111 A T H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.918 113.5 41.3 -60.7 -46.0 39.3 19.6 11.6 111 112 A V H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.886 111.4 57.1 -69.6 -39.1 36.9 21.4 9.3 112 113 A G H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.898 102.9 55.7 -57.4 -42.6 39.9 22.9 7.4 113 114 A L H X S+ 0 0 5 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.872 114.5 38.5 -58.0 -41.7 41.1 19.3 6.6 114 115 A I H X S+ 0 0 3 -4,-1.2 4,-2.1 -3,-0.2 -2,-0.2 0.944 118.4 46.0 -75.8 -50.7 37.8 18.4 5.1 115 116 A V H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.904 109.0 54.4 -62.1 -43.8 37.0 21.7 3.3 116 117 A G H < S+ 0 0 0 -4,-2.8 4,-0.3 -5,-0.3 -1,-0.2 0.872 113.2 44.1 -58.2 -37.4 40.5 22.1 1.7 117 118 A A H < S+ 0 0 0 -4,-0.8 3,-0.3 -5,-0.3 -1,-0.2 0.853 121.3 36.3 -76.3 -38.7 40.2 18.6 0.2 118 119 A L H >X S+ 0 0 8 -4,-2.1 4,-1.6 1,-0.2 3,-1.2 0.618 87.6 94.3 -92.5 -13.6 36.6 18.8 -1.1 119 120 A A T 3< S+ 0 0 3 -4,-2.4 3,-0.2 1,-0.3 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