==== 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 UNKNOWN FUNCTION 01-APR-04 1VJX . COMPND 2 MOLECULE: PUTATIVE FERRITIN-LIKE DIIRON-CARBOXYLATE PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 77.0 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 . 4 2.7 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 . 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 . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 65.5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 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 . 2 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 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 H 0 0 81 0, 0.0 72,-2.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -10.0 54.8 33.6 39.0 2 -1 A H B +A 72 0A 127 70,-0.2 70,-0.1 1,-0.2 68,-0.1 -0.707 360.0 21.1 -94.1 154.3 55.2 31.0 41.7 3 0 A H S S+ 0 0 142 68,-0.5 2,-0.3 66,-0.3 -1,-0.2 0.792 80.2 168.5 53.1 34.0 57.0 32.1 44.9 4 1 A X - 0 0 20 -3,-0.5 65,-2.8 65,-0.4 2,-0.2 -0.592 27.0-139.7 -63.8 131.6 56.4 35.8 44.2 5 2 A K B > -B 68 0B 52 -2,-0.3 4,-1.9 63,-0.2 3,-0.3 -0.625 20.4-113.5 -82.8 156.8 57.3 37.8 47.3 6 3 A V H > S+ 0 0 1 61,-2.7 4,-2.4 58,-0.3 60,-0.2 0.877 121.3 53.0 -46.6 -45.0 55.2 40.7 48.5 7 4 A S H > S+ 0 0 27 58,-2.3 4,-1.7 60,-0.3 -1,-0.2 0.799 104.5 53.7 -67.1 -33.7 58.1 42.9 47.7 8 5 A D H > S+ 0 0 64 -3,-0.3 4,-1.9 57,-0.3 -1,-0.2 0.863 110.2 49.5 -63.7 -39.0 58.3 41.5 44.2 9 6 A I H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.891 107.1 52.1 -74.4 -41.5 54.7 42.4 43.8 10 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.916 109.8 50.8 -55.5 -43.5 55.1 46.0 45.0 11 8 A T H X S+ 0 0 61 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.924 111.6 47.5 -60.4 -42.2 57.9 46.4 42.5 12 9 A V H X S+ 0 0 21 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.946 113.5 48.3 -62.4 -45.1 55.5 45.0 39.8 13 10 A A H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.837 107.3 55.2 -67.5 -34.7 52.8 47.4 41.0 14 11 A I H X S+ 0 0 18 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.930 109.7 46.9 -63.2 -43.5 55.1 50.4 41.1 15 12 A R H X S+ 0 0 159 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.883 108.2 54.3 -71.2 -34.9 56.0 49.8 37.4 16 13 A L H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.905 112.0 45.1 -63.8 -41.3 52.4 49.3 36.3 17 14 A E H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.875 114.9 47.9 -70.2 -40.1 51.5 52.7 37.8 18 15 A E H X S+ 0 0 64 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.877 115.4 44.4 -63.7 -42.0 54.5 54.4 36.4 19 16 A E H X S+ 0 0 61 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.883 110.8 54.7 -74.4 -35.2 53.9 52.9 32.9 20 17 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.861 105.0 53.4 -61.5 -41.6 50.2 53.7 33.1 21 18 A E H X S+ 0 0 45 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.929 112.5 44.8 -55.4 -50.9 51.1 57.4 33.8 22 19 A R H X S+ 0 0 104 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.882 111.8 51.5 -62.4 -48.7 53.2 57.4 30.7 23 20 A F H X S+ 0 0 2 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.979 113.9 43.2 -48.8 -59.7 50.7 55.6 28.5 24 21 A Y H X S+ 0 0 2 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.848 115.3 48.4 -64.9 -35.9 47.8 58.0 29.5 25 22 A R H < S+ 0 0 94 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.927 115.3 44.7 -70.0 -45.1 50.0 61.1 29.2 26 23 A E H >< S+ 0 0 52 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.865 110.1 55.8 -63.1 -39.1 51.3 60.0 25.7 27 24 A L H >< S+ 0 0 0 -4,-3.2 3,-2.5 1,-0.3 4,-0.4 0.852 95.5 67.0 -61.1 -34.0 47.7 59.0 24.7 28 25 A S T 3< S+ 0 0 10 -4,-1.4 3,-0.5 1,-0.3 -1,-0.3 0.650 89.8 65.0 -64.1 -15.4 46.6 62.6 25.4 29 26 A E T < S+ 0 0 139 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.582 99.8 52.3 -78.6 -11.8 48.8 63.7 22.5 30 27 A H S < S+ 0 0 43 -3,-2.5 2,-0.2 -4,-0.2 -1,-0.2 0.493 108.0 57.2 -98.6 -7.2 46.5 61.8 20.1 31 28 A F - 0 0 22 -3,-0.5 60,-0.0 -4,-0.4 59,-0.0 -0.704 61.5-147.3-139.6 174.9 43.2 63.3 21.3 32 29 A N + 0 0 144 -2,-0.2 -1,-0.1 4,-0.1 -4,-0.0 0.789 53.5 3.2-126.0 -39.3 41.5 66.6 21.8 33 30 A G S > S- 0 0 43 3,-0.0 4,-1.9 0, 0.0 5,-0.1 0.325 116.4 -7.5-128.7-115.8 39.0 67.8 24.3 34 31 A E H > S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.852 134.7 59.0 -52.7 -38.6 37.3 66.5 27.4 35 32 A I H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.901 103.2 47.4 -58.4 -49.1 39.1 63.3 26.2 36 33 A K H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.962 113.0 50.2 -56.3 -52.2 42.6 64.9 26.4 37 34 A K H X S+ 0 0 111 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.848 109.6 52.6 -55.1 -38.7 41.8 66.2 29.9 38 35 A T H X S+ 0 0 15 -4,-2.0 4,-2.8 2,-0.2 3,-0.3 0.976 107.7 48.1 -64.6 -55.5 40.6 62.8 30.9 39 36 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.837 112.4 50.9 -56.2 -34.3 43.7 61.0 29.9 40 37 A L H X S+ 0 0 63 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.877 109.4 49.4 -73.5 -37.3 45.8 63.6 31.7 41 38 A E H X S+ 0 0 93 -4,-2.1 4,-2.7 -3,-0.3 -2,-0.2 0.946 110.4 51.2 -60.9 -49.2 43.8 63.2 34.9 42 39 A L H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.889 109.7 51.5 -55.0 -41.8 44.3 59.5 34.6 43 40 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.898 110.3 46.7 -62.5 -45.7 48.0 60.1 34.2 44 41 A D H X S+ 0 0 71 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.884 112.5 51.4 -64.7 -40.1 48.3 62.3 37.3 45 42 A Q H X S+ 0 0 73 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.924 109.7 48.4 -61.9 -46.5 46.2 59.8 39.3 46 43 A E H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.869 108.6 56.6 -59.2 -42.0 48.5 56.9 38.2 47 44 A R H X S+ 0 0 63 -4,-2.1 4,-2.1 2,-0.2 3,-0.4 0.971 106.8 47.1 -48.2 -61.2 51.5 59.1 39.2 48 45 A I H X S+ 0 0 67 -4,-2.2 4,-1.1 1,-0.3 -2,-0.2 0.853 110.3 54.1 -53.7 -40.9 50.2 59.6 42.8 49 46 A H H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -1,-0.3 0.881 106.6 50.7 -59.6 -45.0 49.6 55.8 43.1 50 47 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -3,-0.4 -2,-0.2 0.877 108.0 52.8 -61.0 -43.7 53.2 55.1 42.1 51 48 A E H X S+ 0 0 92 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.764 110.4 49.1 -61.4 -29.0 54.5 57.5 44.7 52 49 A I H X S+ 0 0 55 -4,-1.1 4,-1.8 -5,-0.2 -2,-0.2 0.931 111.8 46.8 -78.9 -47.4 52.4 55.6 47.3 53 50 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.802 111.7 52.0 -59.3 -36.4 53.6 52.2 46.2 54 51 A R H X S+ 0 0 107 -4,-2.2 4,-1.5 2,-0.2 5,-0.2 0.953 110.5 47.3 -67.8 -47.2 57.3 53.4 46.2 55 52 A K H X S+ 0 0 129 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.886 112.4 52.8 -57.2 -36.6 56.9 54.8 49.8 56 53 A X H X S+ 0 0 14 -4,-1.8 4,-3.1 1,-0.2 -1,-0.2 0.934 105.1 50.7 -70.4 -45.8 55.3 51.5 50.8 57 54 A S H < S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.765 115.7 45.6 -66.0 -25.7 58.0 49.3 49.5 58 55 A D H < S+ 0 0 126 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.845 122.4 32.5 -76.1 -40.4 60.5 51.4 51.4 59 56 A Q H < S+ 0 0 127 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.679 87.5 104.4-103.8 -18.9 58.6 51.7 54.7 60 57 A E S < S- 0 0 33 -4,-3.1 -4,-0.0 -5,-0.2 0, 0.0 -0.339 87.1 -90.5 -61.0 144.5 56.7 48.3 55.1 61 58 A N >> - 0 0 100 1,-0.1 4,-2.3 2,-0.1 3,-0.9 -0.273 31.8-124.1 -63.8 139.6 58.4 46.0 57.6 62 59 A W H 3> S+ 0 0 160 1,-0.3 4,-2.8 2,-0.2 -1,-0.1 0.867 109.0 56.1 -53.3 -40.0 61.0 43.6 56.0 63 60 A D H 34 S+ 0 0 110 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.834 110.9 43.5 -64.0 -35.3 59.3 40.5 57.4 64 61 A E H X4 S+ 0 0 12 -3,-0.9 3,-1.8 2,-0.1 -58,-0.3 0.969 117.5 44.4 -66.9 -60.0 56.0 41.5 55.7 65 62 A V H 3< S+ 0 0 8 -4,-2.3 -58,-2.3 1,-0.3 -57,-0.3 0.790 110.5 55.1 -56.5 -33.1 57.7 42.5 52.4 66 63 A D T 3< S+ 0 0 52 -4,-2.8 -1,-0.3 -5,-0.3 2,-0.2 0.381 88.3 111.2 -85.8 6.8 60.0 39.4 52.3 67 64 A S < - 0 0 60 -3,-1.8 -61,-2.7 -5,-0.1 2,-0.3 -0.558 68.6-114.7 -86.3 148.8 57.0 37.0 52.6 68 65 A Y B -B 5 0B 145 -63,-0.2 2,-0.7 -2,-0.2 -63,-0.2 -0.587 13.3-137.8 -79.6 131.2 55.8 34.6 49.9 69 66 A L - 0 0 23 -65,-2.8 -65,-0.4 -2,-0.3 -66,-0.3 -0.839 33.6-123.4 -80.4 120.6 52.4 34.9 48.3 70 67 A A + 0 0 104 -2,-0.7 2,-0.0 -67,-0.1 -1,-0.0 -0.261 68.4 2.4 -63.0 152.3 51.1 31.4 48.2 71 68 A G S S- 0 0 50 2,-0.1 2,-0.6 -3,-0.0 -68,-0.5 -0.249 110.7 -18.7 71.0-152.6 50.1 30.0 44.7 72 69 A Y B -A 2 0A 128 -70,-0.1 2,-0.7 -69,-0.1 -70,-0.2 -0.857 52.5-157.2-100.0 114.8 50.3 31.6 41.3 73 70 A A - 0 0 5 -72,-2.7 2,-0.2 -2,-0.6 36,-0.1 -0.882 16.5-147.8 -91.0 109.0 50.5 35.4 41.3 74 71 A F + 0 0 37 -2,-0.7 2,-0.3 34,-0.1 38,-0.1 -0.563 31.7 145.2 -73.1 139.4 49.2 36.6 37.9 75 72 A Y - 0 0 57 -2,-0.2 2,-0.4 33,-0.0 31,-0.1 -0.925 30.7-158.3-163.4 152.4 50.7 39.7 36.3 76 73 A E - 0 0 106 -2,-0.3 2,-0.1 26,-0.1 33,-0.1 -0.995 27.6-126.2-123.0 133.1 51.5 41.0 32.9 77 74 A V - 0 0 105 -2,-0.4 -2,-0.0 1,-0.1 -65,-0.0 -0.437 47.6 -77.7 -71.2 154.5 54.1 43.8 32.5 78 75 A F - 0 0 27 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.201 57.5-108.0 -56.8 136.1 52.9 46.9 30.7 79 76 A P - 0 0 51 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.223 28.2-102.8 -60.2 154.3 52.9 46.3 26.9 80 77 A D + 0 0 134 1,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.749 47.1 166.5 -74.5 122.0 55.3 47.9 24.6 81 78 A T > + 0 0 11 -2,-0.6 4,-2.5 2,-0.1 5,-0.2 0.315 38.7 109.2-119.9 2.4 53.3 50.7 23.0 82 79 A S T 4 S+ 0 0 39 1,-0.2 4,-0.1 2,-0.2 -1,-0.1 0.751 79.2 48.9 -60.3 -30.0 56.1 52.7 21.3 83 80 A E T >> S+ 0 0 127 2,-0.2 3,-1.4 1,-0.1 4,-0.6 0.956 113.8 40.9 -78.0 -57.4 55.1 51.8 17.8 84 81 A I G >4 S+ 0 0 48 1,-0.3 3,-2.3 2,-0.2 -2,-0.2 0.942 110.9 58.2 -58.9 -43.0 51.4 52.5 17.9 85 82 A L G 3< S+ 0 0 20 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.597 98.0 63.4 -63.9 -7.6 52.0 55.7 19.9 86 83 A R G <4 S+ 0 0 168 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.720 85.3 100.4 -79.9 -25.5 54.2 56.8 16.9 87 84 A R << - 0 0 98 -3,-2.3 3,-0.2 -4,-0.6 -3,-0.0 -0.210 60.9-155.2 -68.0 151.8 51.1 56.7 14.7 88 85 A K S S+ 0 0 213 1,-0.1 -1,-0.1 0, 0.0 -3,-0.1 0.362 86.2 54.2-109.1 2.3 49.3 59.9 13.8 89 86 A D + 0 0 101 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 -0.136 69.4 155.9-129.7 34.8 45.8 58.4 13.0 90 87 A L - 0 0 16 -3,-0.2 2,-0.2 -6,-0.1 3,-0.0 -0.412 34.3-137.6 -69.9 138.2 44.9 56.4 16.1 91 88 A T > - 0 0 73 -2,-0.1 4,-1.4 1,-0.1 5,-0.2 -0.640 16.2-125.0 -87.8 152.7 41.3 55.8 16.9 92 89 A L H > S+ 0 0 16 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.911 108.3 59.7 -62.3 -39.9 39.9 56.2 20.4 93 90 A K H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 104.5 44.2 -53.4 -54.5 38.6 52.6 20.1 94 91 A E H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 116.6 48.2 -65.5 -35.2 41.8 50.8 19.6 95 92 A V H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.907 112.8 47.1 -68.2 -48.4 43.5 52.8 22.3 96 93 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.882 106.3 58.6 -62.5 -39.0 40.8 52.2 24.8 97 94 A D H X S+ 0 0 60 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.928 110.4 43.6 -58.3 -43.1 40.7 48.5 24.0 98 95 A I H X S+ 0 0 58 -4,-1.5 4,-2.4 2,-0.2 5,-0.3 0.934 113.9 50.2 -65.7 -46.7 44.3 48.4 25.0 99 96 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.869 111.6 48.5 -57.5 -43.8 43.8 50.6 28.1 100 97 A I H X S+ 0 0 11 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.908 111.5 49.6 -68.4 -40.3 40.9 48.5 29.3 101 98 A S H X S+ 0 0 62 -4,-1.8 4,-1.2 -5,-0.3 -2,-0.2 0.896 115.3 40.5 -70.6 -42.9 42.8 45.2 28.9 102 99 A V H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.817 111.7 57.5 -74.6 -32.4 45.9 46.3 30.7 103 100 A E H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.955 106.8 48.6 -60.8 -47.3 43.9 48.1 33.4 104 101 A K H X S+ 0 0 112 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.873 110.9 51.4 -56.6 -35.9 42.1 44.8 34.2 105 102 A D H X S+ 0 0 38 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.928 111.5 46.8 -69.4 -43.6 45.4 43.0 34.3 106 103 A S H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.831 106.9 58.1 -65.9 -34.3 46.8 45.6 36.8 107 104 A I H X S+ 0 0 16 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.936 104.5 50.8 -63.1 -43.5 43.7 45.4 38.9 108 105 A I H X S+ 0 0 79 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.924 110.8 51.0 -57.0 -44.5 44.1 41.7 39.5 109 106 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.878 107.5 49.8 -65.9 -42.6 47.7 42.4 40.5 110 107 A Y H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.860 109.8 52.6 -66.0 -33.3 46.8 45.1 43.0 111 108 A Y H X S+ 0 0 100 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.924 108.2 51.9 -60.4 -42.4 44.2 42.7 44.5 112 109 A E H X S+ 0 0 41 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.925 110.3 48.6 -58.9 -46.4 47.0 40.1 44.8 113 110 A L H >X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 3,-0.9 0.865 107.5 54.0 -59.1 -47.2 49.2 42.5 46.6 114 111 A K H >< S+ 0 0 39 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.908 105.8 53.0 -57.2 -43.7 46.5 43.6 49.0 115 112 A D H 3< S+ 0 0 131 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.713 108.2 52.4 -61.8 -22.8 46.0 39.9 50.0 116 113 A G H << S+ 0 0 15 -3,-0.9 2,-0.2 -4,-0.7 -1,-0.2 0.602 88.6 93.1 -93.0 -17.0 49.8 39.6 50.7 117 114 A L << - 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