==== 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 12-OCT-04 1XQE . COMPND 2 MOLECULE: PROBABLE AMMONIUM TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.ZHENG,D.KOSTREWA,S.BERNECHE,F.K.WINKLER,X.-D.LI . 366 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 82.0 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 0.5 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 4.9 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 1 0 1 0 0 2 0 0 0 0 1 2 0 0 1 1 1 2 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 3 A A 0 0 123 0, 0.0 2,-0.4 0, 0.0 88,-0.1 0.000 360.0 360.0 360.0 121.9 1.8 52.7 -26.9 2 4 A V - 0 0 127 89,-0.1 2,-0.2 86,-0.0 86,-0.1 -0.909 360.0-116.1-111.2 139.8 3.3 56.1 -26.0 3 5 A A - 0 0 13 -2,-0.4 2,-0.6 84,-0.2 90,-0.2 -0.559 19.8-138.0 -74.1 136.4 3.2 57.6 -22.5 4 6 A D > - 0 0 81 88,-3.0 4,-2.3 -2,-0.2 3,-0.3 -0.889 7.2-147.7 -92.9 122.1 1.2 60.8 -22.1 5 7 A K H > S+ 0 0 173 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.779 97.1 58.4 -64.4 -29.5 3.3 63.2 -19.9 6 8 A A H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 110.4 42.2 -63.7 -43.9 0.1 64.7 -18.5 7 9 A D H > S+ 0 0 9 -3,-0.3 4,-2.5 85,-0.2 -2,-0.2 0.859 112.5 54.8 -70.6 -37.6 -1.0 61.3 -17.3 8 10 A N H X S+ 0 0 11 -4,-2.3 4,-2.1 84,-0.3 -2,-0.2 0.943 111.8 44.1 -53.6 -54.7 2.5 60.6 -16.1 9 11 A A H X S+ 0 0 51 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.925 114.9 49.0 -57.0 -51.3 2.4 63.8 -14.0 10 12 A F H X S+ 0 0 53 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.883 113.1 46.2 -55.2 -44.8 -1.1 63.1 -12.7 11 13 A M H X S+ 0 0 4 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.791 109.8 52.8 -81.4 -28.0 -0.3 59.5 -11.7 12 14 A M H X S+ 0 0 102 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.922 113.6 43.9 -68.1 -43.9 3.0 60.4 -10.0 13 15 A I H X S+ 0 0 108 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.912 111.8 53.3 -65.2 -41.2 1.2 63.0 -7.8 14 16 A C H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.869 108.0 51.6 -60.5 -37.5 -1.7 60.6 -7.2 15 17 A T H X S+ 0 0 9 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.943 108.3 50.1 -64.1 -48.5 0.9 58.0 -6.0 16 18 A A H X S+ 0 0 55 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.904 110.6 52.3 -53.2 -44.2 2.4 60.5 -3.6 17 19 A L H X S+ 0 0 46 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.894 110.2 45.9 -59.0 -44.6 -1.1 61.2 -2.4 18 20 A V H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 3,-0.3 0.903 111.9 51.5 -68.6 -40.2 -1.9 57.5 -1.7 19 21 A L H >X S+ 0 0 58 -4,-2.8 4,-2.7 1,-0.2 3,-1.1 0.918 104.9 58.0 -57.3 -43.1 1.5 57.1 0.0 20 22 A F H 3<>S+ 0 0 83 -4,-2.4 5,-2.2 1,-0.2 -1,-0.2 0.800 95.6 65.8 -51.6 -37.4 0.5 60.2 2.2 21 23 A M H 3<>S+ 0 0 1 -4,-1.1 5,-2.3 -3,-0.3 -1,-0.2 0.837 114.6 27.7 -59.9 -34.4 -2.6 58.2 3.3 22 24 A T H <<>S+ 0 0 0 -3,-1.1 5,-1.2 -4,-0.8 -2,-0.2 0.892 111.8 69.5 -88.9 -52.0 -0.4 55.7 5.1 23 25 A I T <5S- 0 0 64 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 -0.852 134.5 -20.4-111.1 95.6 2.6 57.8 6.0 24 26 A P T >5S+ 0 0 45 0, 0.0 4,-2.6 0, 0.0 5,-0.3 -0.947 127.9 75.1-108.7 6.2 1.2 59.6 8.1 25 27 A G H >X S+ 0 0 15 -4,-2.2 4,-0.6 -5,-0.3 3,-0.5 0.981 116.7 32.1 -57.2 -57.9 -5.8 58.1 12.6 30 32 A Y H >X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.2 3,-0.7 0.836 111.5 68.0 -68.9 -29.7 -5.1 55.1 14.8 31 33 A G H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.838 103.5 43.4 -59.1 -35.5 -2.6 57.0 16.8 32 34 A G H << S+ 0 0 0 -4,-1.7 153,-2.2 -3,-0.5 152,-0.4 0.627 113.2 53.5 -84.5 -15.2 -5.4 59.2 18.2 33 35 A L H << S+ 0 0 35 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.766 98.8 65.8 -90.6 -30.6 -7.7 56.2 18.8 34 36 A I S < S- 0 0 5 -4,-1.8 150,-0.5 1,-0.2 151,-0.1 -0.442 99.6 -76.2 -93.2 164.8 -5.4 53.9 20.9 35 37 A R >> - 0 0 156 -2,-0.1 3,-1.9 1,-0.1 4,-0.6 -0.289 42.8-116.1 -60.8 147.4 -4.1 54.5 24.4 36 38 A G G >4 S+ 0 0 41 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.823 112.3 58.0 -51.6 -38.9 -1.2 57.0 24.7 37 39 A K G 34 S+ 0 0 145 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.552 107.3 47.7 -75.3 -9.7 1.3 54.3 25.9 38 40 A N G <> S+ 0 0 28 -3,-1.9 4,-2.0 -7,-0.1 -1,-0.2 0.470 87.6 88.3-104.3 -9.9 0.8 52.2 22.8 39 41 A V H S+ 0 0 134 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.893 112.3 46.3 -60.4 -41.8 5.0 54.8 19.7 41 43 A S H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 113.0 50.6 -71.0 -38.1 5.0 51.0 19.2 42 44 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.901 109.3 50.2 -62.3 -45.4 2.1 51.3 16.7 43 45 A L H X S+ 0 0 52 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.878 111.3 49.9 -61.5 -39.2 3.8 54.1 14.7 44 46 A T H X S+ 0 0 70 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.922 111.5 47.5 -62.8 -48.7 7.0 51.9 14.5 45 47 A Q H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.895 112.5 49.2 -61.6 -42.7 5.0 48.9 13.3 46 48 A V H X S+ 0 0 1 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.916 114.4 45.8 -61.5 -41.4 3.2 51.0 10.7 47 49 A T H X S+ 0 0 78 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.920 116.9 43.0 -67.1 -45.4 6.5 52.5 9.4 48 50 A V H X S+ 0 0 57 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.862 114.7 46.8 -74.3 -40.8 8.4 49.2 9.3 49 51 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.804 110.6 56.5 -72.0 -27.2 5.6 47.0 7.8 50 52 A F H X S+ 0 0 40 -4,-1.3 4,-2.2 -5,-0.3 -2,-0.2 0.942 108.5 45.7 -61.6 -51.1 5.1 49.9 5.3 51 53 A A H X S+ 0 0 49 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.897 111.8 52.7 -56.8 -45.7 8.8 49.6 4.3 52 54 A L H X S+ 0 0 42 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.890 108.3 50.1 -57.5 -44.6 8.5 45.8 4.1 53 55 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.931 108.3 52.3 -65.4 -47.1 5.5 46.1 1.8 54 56 A C H X S+ 0 0 46 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.843 113.9 44.2 -54.7 -39.0 7.4 48.5 -0.6 55 57 A I H X S+ 0 0 113 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.932 114.0 46.9 -76.0 -47.4 10.3 46.1 -0.8 56 58 A L H X>S+ 0 0 23 -4,-2.9 4,-2.3 1,-0.2 5,-2.2 0.869 110.0 57.8 -62.2 -33.2 8.3 42.9 -1.3 57 59 A W H <>S+ 0 0 5 -4,-2.7 5,-3.1 -5,-0.2 6,-0.4 0.945 111.8 37.8 -61.6 -48.7 6.2 44.8 -3.9 58 60 A V H <5S+ 0 0 53 -4,-1.5 22,-0.9 3,-0.2 23,-0.5 0.861 115.9 54.3 -74.5 -34.1 9.2 45.6 -6.1 59 61 A V H <5S- 0 0 53 -4,-2.5 21,-1.1 21,-0.2 -2,-0.2 0.941 140.8 -34.7 -66.9 -49.4 10.9 42.3 -5.5 60 62 A Y T X5S+ 0 0 48 -4,-2.3 4,-2.2 19,-0.2 -3,-0.2 0.485 116.5 86.0-147.8 -15.3 8.0 40.0 -6.6 61 63 A G H > S+ 0 0 0 -6,-0.4 4,-1.9 15,-0.3 12,-1.5 0.912 114.3 43.9 -64.7 -43.8 5.0 40.8 -11.0 64 66 A L H < S+ 0 0 34 -4,-2.2 10,-3.4 10,-0.2 -1,-0.2 0.736 121.5 40.2 -76.2 -24.1 2.7 38.3 -9.2 65 67 A A H < S+ 0 0 0 -4,-1.9 -2,-0.2 8,-0.2 -3,-0.2 0.861 131.2 22.4 -86.5 -43.0 -0.2 40.8 -9.0 66 68 A F H < S+ 0 0 21 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.576 96.7 98.9-110.7 -10.1 0.2 42.5 -12.5 67 69 A G S < S- 0 0 0 -4,-1.9 2,-0.5 -5,-0.5 -4,-0.0 -0.302 83.1-100.3 -69.2 160.1 2.0 40.0 -14.6 68 70 A E S S+ 0 0 175 6,-0.1 6,-0.1 1,-0.1 -1,-0.1 -0.731 71.6 115.6 -84.5 129.8 0.0 37.8 -17.0 69 71 A G - 0 0 47 -2,-0.5 5,-0.2 1,-0.4 2,-0.2 -0.055 66.8 -38.1-149.1 -99.8 -0.5 34.3 -15.6 70 72 A N S S- 0 0 69 3,-2.5 -1,-0.4 4,-0.2 5,-0.0 -0.461 71.5 -73.4-125.5-162.2 -3.8 32.7 -14.6 71 73 A N S S+ 0 0 66 78,-0.2 79,-2.6 -2,-0.2 80,-0.3 0.658 127.1 35.4 -70.5 -15.3 -7.0 33.7 -12.9 72 74 A F S S+ 0 0 82 1,-0.3 72,-0.3 77,-0.2 2,-0.3 0.768 122.6 7.0-117.2 -37.4 -5.4 33.9 -9.5 73 75 A F - 0 0 102 1,-0.2 -3,-2.5 70,-0.1 -1,-0.3 -0.939 59.5-131.1-143.1 168.6 -1.8 35.2 -9.8 74 76 A G - 0 0 3 -10,-3.4 -10,-0.2 -2,-0.3 2,-0.2 0.538 41.2 -85.8 -87.1-124.5 0.6 36.6 -12.4 75 77 A N - 0 0 31 -12,-1.5 -8,-0.2 -6,-0.1 3,-0.2 -0.783 20.3-112.8-140.8-177.7 4.1 35.4 -13.0 76 78 A I S > S+ 0 0 104 -2,-0.2 3,-0.7 1,-0.1 -12,-0.1 -0.023 82.1 104.9-112.3 29.0 7.7 35.9 -11.8 77 79 A N T 3 S+ 0 0 99 1,-0.2 -1,-0.1 -14,-0.2 -13,-0.0 0.655 78.8 53.2 -82.7 -17.0 9.1 37.5 -15.0 78 80 A W T > S+ 0 0 50 -3,-0.2 3,-2.1 -18,-0.1 2,-0.3 -0.152 72.2 154.7-108.6 33.9 9.1 41.0 -13.4 79 81 A L G X S- 0 0 70 -3,-0.7 3,-1.4 1,-0.3 -19,-0.2 -0.502 84.2 -1.6 -60.7 121.8 11.2 40.1 -10.3 80 82 A M G 3 S- 0 0 126 -21,-1.1 -1,-0.3 -22,-0.9 -21,-0.2 0.752 130.4 -69.3 61.3 27.0 12.9 43.3 -9.2 81 83 A L G X S+ 0 0 18 -3,-2.1 3,-1.4 -23,-0.5 -1,-0.3 0.719 86.3 167.7 60.1 25.3 11.2 44.9 -12.3 82 84 A K T < + 0 0 146 -3,-1.4 -1,-0.2 1,-0.2 3,-0.1 -0.375 62.8 23.3 -62.9 146.3 13.5 42.9 -14.6 83 85 A N T 3 S+ 0 0 116 1,-0.2 2,-0.7 -5,-0.1 -1,-0.2 0.618 91.8 119.4 65.2 12.9 12.4 42.9 -18.2 84 86 A I < - 0 0 11 -3,-1.4 -1,-0.2 4,-0.0 -6,-0.0 -0.911 61.5-141.3-106.2 102.4 10.5 46.2 -17.7 85 87 A E > - 0 0 140 -2,-0.7 3,-1.7 1,-0.1 11,-0.2 -0.275 16.5-123.4 -55.3 142.6 12.1 48.7 -20.0 86 88 A L T 3 S+ 0 0 122 1,-0.3 10,-0.3 9,-0.1 -1,-0.1 0.881 115.8 47.1 -57.7 -36.0 12.3 52.1 -18.4 87 89 A T T 3 S+ 0 0 97 7,-0.1 -1,-0.3 8,-0.1 -84,-0.2 0.352 83.9 130.5 -90.7 7.1 10.3 53.5 -21.4 88 90 A A < - 0 0 24 -3,-1.7 7,-2.9 6,-0.1 2,-0.4 -0.335 49.1-143.6 -61.0 140.8 7.7 50.6 -21.2 89 91 A V E -A 94 0A 34 5,-0.3 2,-0.5 -88,-0.1 5,-0.3 -0.898 16.5-170.4-115.7 132.9 4.2 52.0 -21.2 90 92 A M E > S-A 93 0A 57 3,-3.4 3,-1.7 -2,-0.4 2,-0.6 -0.981 74.3 -36.0-123.2 116.3 1.2 50.6 -19.2 91 93 A G T 3 S- 0 0 70 -2,-0.5 4,-0.1 1,-0.2 119,-0.1 -0.628 126.2 -32.7 68.6-114.7 -2.1 52.2 -20.3 92 94 A S T 3 S+ 0 0 34 -2,-0.6 -88,-3.0 117,-0.4 2,-0.3 0.208 127.1 70.8-119.0 15.6 -1.0 55.8 -21.0 93 95 A I E < S-A 90 0A 6 -3,-1.7 -3,-3.4 -90,-0.2 2,-0.1 -0.861 94.7 -82.9-127.7 160.0 1.7 56.1 -18.4 94 96 A Y E >> -A 89 0A 82 -2,-0.3 4,-1.4 -5,-0.3 3,-1.3 -0.407 40.2-126.3 -59.1 134.0 5.2 54.7 -17.9 95 97 A Q H 3> S+ 0 0 13 -7,-2.9 4,-2.6 1,-0.3 5,-0.2 0.844 108.5 65.0 -56.7 -34.8 4.9 51.2 -16.4 96 98 A Y H 3> S+ 0 0 100 -8,-0.4 4,-1.9 -10,-0.3 -1,-0.3 0.856 101.3 50.0 -55.0 -36.9 7.3 52.3 -13.6 97 99 A I H <> S+ 0 0 14 -3,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.878 108.2 53.5 -67.9 -37.9 4.6 54.8 -12.4 98 100 A H H X S+ 0 0 30 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.902 107.0 52.0 -61.8 -41.0 2.1 51.9 -12.6 99 101 A V H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.951 113.2 43.8 -55.6 -50.6 4.4 49.9 -10.3 100 102 A A H X S+ 0 0 50 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.897 114.2 49.6 -67.5 -41.7 4.6 52.8 -7.8 101 103 A F H X S+ 0 0 6 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.938 114.5 43.3 -63.0 -49.2 0.8 53.6 -7.9 102 104 A Q H X S+ 0 0 20 -4,-2.5 4,-1.3 1,-0.2 3,-0.3 0.849 110.9 56.4 -65.8 -35.8 -0.2 50.0 -7.4 103 105 A G H X S+ 0 0 7 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.865 100.4 58.1 -60.6 -38.0 2.4 49.5 -4.7 104 106 A S H X S+ 0 0 1 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.778 102.7 55.0 -69.3 -25.6 1.0 52.4 -2.7 105 107 A F H X S+ 0 0 1 -4,-0.9 4,-1.8 -3,-0.3 -1,-0.2 0.878 105.1 51.8 -68.9 -43.0 -2.4 50.6 -2.6 106 108 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.908 109.3 53.6 -54.4 -42.5 -0.6 47.5 -1.1 107 109 A C H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.913 108.3 44.6 -61.6 -47.6 0.8 49.9 1.5 108 110 A I H X S+ 0 0 5 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.868 111.3 55.0 -71.6 -31.3 -2.5 51.5 2.7 109 111 A T H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.927 113.0 41.1 -66.7 -47.3 -4.2 48.1 2.8 110 112 A V H X S+ 0 0 3 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.892 112.1 56.7 -65.3 -40.7 -1.5 46.7 5.1 111 113 A G H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.869 102.4 56.1 -57.6 -40.3 -1.4 50.0 7.1 112 114 A L H X S+ 0 0 2 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.855 114.9 38.2 -59.1 -40.0 -5.2 49.6 7.8 113 115 A I H X S+ 0 0 2 -4,-1.1 4,-1.9 -3,-0.3 -2,-0.2 0.935 118.7 45.6 -75.0 -49.2 -4.6 46.2 9.3 114 116 A V H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 -3,-0.2 0.889 110.4 52.9 -70.4 -39.9 -1.3 46.9 11.2 115 117 A G H < S+ 0 0 0 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.884 110.5 48.6 -59.7 -39.8 -2.4 50.2 12.7 116 118 A A H < S+ 0 0 1 -4,-0.7 -2,-0.2 -5,-0.3 -1,-0.2 0.892 124.4 28.7 -69.1 -36.8 -5.6 48.6 14.1 117 119 A L H >X S+ 0 0 3 -4,-1.9 3,-2.1 1,-0.1 4,-1.5 0.577 89.0 96.5-104.8 -11.2 -3.8 45.6 15.7 118 120 A A T 3< S+ 0 0 1 -4,-2.5 -1,-0.1 1,-0.3 -3,-0.1 0.841 79.5 63.2 -49.7 -41.0 -0.2 46.9 16.4 119 121 A E T 34 S+ 0 0 54 -4,-0.4 -1,-0.3 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