==== 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 METAL TRANSPORT 11-JUN-07 2Q8P . COMPND 2 MOLECULE: IRON-REGULATED SURFACE DETERMINANT E; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR J.C.GRIGG,M.E.MURPHY . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.5 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 . 1 0.4 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 . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 PARALLEL BRIDGES PER LADDER . 0 0 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 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 32 A G 0 0 121 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.0 86.1 42.5 64.3 2 33 A E - 0 0 182 1,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.385 360.0-124.4 -73.5 148.8 83.4 45.3 64.1 3 34 A F - 0 0 91 -2,-0.1 2,-0.5 102,-0.1 -1,-0.1 -0.737 17.3-168.9 -97.3 140.2 80.3 44.9 62.0 4 35 A R - 0 0 104 -2,-0.3 56,-2.7 2,-0.0 57,-1.5 -0.874 25.2-171.0-124.9 95.2 79.3 47.3 59.2 5 36 A I E -a 61 0A 3 -2,-0.5 19,-3.2 17,-0.4 20,-0.8 -0.666 18.7-170.9 -98.6 137.0 75.8 46.1 58.5 6 37 A V E -a 62 0A 0 55,-2.5 57,-2.4 -2,-0.3 2,-0.4 -0.909 7.8-161.0-126.2 108.1 73.5 47.1 55.6 7 38 A P E -a 63 0A 0 0, 0.0 57,-0.1 0, 0.0 55,-0.0 -0.672 1.7-163.1 -75.4 132.0 69.9 45.9 55.8 8 39 A T + 0 0 0 55,-2.2 2,-0.3 -2,-0.4 20,-0.1 0.470 67.2 60.1 -98.5 -3.9 68.4 46.2 52.3 9 40 A T S > S- 0 0 13 54,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.887 78.8-126.9-122.8 158.3 64.8 45.9 53.4 10 41 A V H > S+ 0 0 10 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.899 112.6 53.9 -67.7 -38.7 62.5 48.0 55.7 11 42 A A H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 232,-0.3 0.954 110.0 46.8 -60.6 -48.0 61.6 44.8 57.7 12 43 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 110.9 52.8 -57.4 -41.0 65.3 44.0 58.3 13 44 A T H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.901 111.3 45.0 -62.3 -43.8 66.0 47.7 59.3 14 45 A X H X S+ 0 0 39 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.848 111.4 54.6 -71.0 -33.9 63.2 47.6 61.9 15 46 A T H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.898 107.5 48.8 -61.7 -44.6 64.5 44.2 63.1 16 47 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 -2,-0.2 0.793 107.9 55.9 -69.9 -27.4 68.0 45.5 63.7 17 48 A D H ><5S+ 0 0 52 -4,-1.4 3,-1.5 3,-0.2 -2,-0.2 0.926 105.7 49.9 -67.3 -44.4 66.6 48.5 65.6 18 49 A K H 3<5S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.800 110.1 52.9 -60.6 -28.5 64.7 46.1 68.0 19 50 A L T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.454 114.8-121.5 -86.7 -1.2 68.1 44.4 68.4 20 51 A D T < 5 + 0 0 81 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.887 59.5 152.4 64.3 42.7 69.8 47.7 69.3 21 52 A L < - 0 0 5 -5,-2.7 -1,-0.2 86,-0.0 2,-0.2 -0.870 43.2-131.6-110.0 135.6 72.2 47.5 66.3 22 53 A P - 0 0 77 0, 0.0 -17,-0.4 0, 0.0 2,-0.3 -0.534 24.6-164.6 -73.6 150.3 74.0 50.2 64.4 23 54 A I - 0 0 12 -2,-0.2 -17,-0.2 -19,-0.1 3,-0.1 -0.863 20.5-147.7-130.4 162.1 73.9 50.0 60.6 24 55 A V S S+ 0 0 28 -19,-3.2 2,-0.3 -2,-0.3 -18,-0.2 0.547 82.1 18.9-111.4 -9.2 75.9 51.9 57.8 25 56 A G - 0 0 0 -20,-0.8 -1,-0.3 15,-0.2 17,-0.2 -0.963 64.6-161.8-153.4 160.5 73.3 52.1 55.1 26 57 A K B -c 42 0B 23 15,-2.0 17,-2.7 -2,-0.3 18,-0.3 -0.952 30.4 -89.7-143.5 156.0 69.5 51.8 54.9 27 58 A P - 0 0 0 0, 0.0 2,-0.7 0, 0.0 18,-0.2 -0.331 37.4-113.7 -65.6 154.1 66.9 51.2 52.2 28 59 A T + 0 0 58 16,-2.4 2,-0.3 -20,-0.1 -18,-0.1 -0.802 57.6 155.0 -84.0 116.7 65.3 54.0 50.2 29 60 A S - 0 0 35 -2,-0.7 4,-0.1 2,-0.2 -20,-0.0 -0.991 57.6-139.7-146.7 150.2 61.7 53.9 51.3 30 61 A Y S S+ 0 0 129 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.527 82.2 98.4 -78.8 -7.9 58.5 56.0 51.7 31 62 A K S S- 0 0 57 1,-0.1 2,-0.3 -3,-0.0 -2,-0.2 -0.416 88.0 -95.6 -84.3 156.0 58.0 54.2 55.0 32 63 A T - 0 0 132 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.1 -0.528 41.7-161.5 -66.4 127.2 58.9 55.4 58.5 33 64 A L - 0 0 33 -2,-0.3 5,-0.1 -4,-0.1 -23,-0.0 -0.788 36.0 -77.5-108.3 154.8 62.3 54.1 59.6 34 65 A P > - 0 0 20 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.286 40.7-122.9 -52.3 142.5 63.5 54.1 63.2 35 66 A N G > S+ 0 0 137 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.749 106.2 67.1 -60.4 -29.0 64.7 57.5 64.4 36 67 A R G 3 S+ 0 0 106 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.694 99.4 51.5 -71.8 -16.7 68.2 56.3 65.3 37 68 A Y G X S+ 0 0 3 -3,-1.8 3,-1.5 1,-0.2 -1,-0.3 0.272 72.9 114.7 -99.6 10.0 68.9 55.7 61.6 38 69 A K T < S+ 0 0 127 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.824 82.0 40.9 -47.3 -38.1 67.9 59.2 60.6 39 70 A D T 3 S+ 0 0 131 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.487 86.9 104.9 -98.0 -4.2 71.4 60.0 59.5 40 71 A V S < S- 0 0 25 -3,-1.5 -15,-0.2 1,-0.1 -16,-0.1 -0.512 77.7-104.4 -76.9 146.3 72.6 56.8 57.8 41 72 A P - 0 0 65 0, 0.0 -15,-2.0 0, 0.0 2,-0.3 -0.377 28.1-117.0 -73.9 150.6 72.7 57.0 54.0 42 73 A E B -c 26 0B 107 -17,-0.2 3,-0.1 1,-0.1 -14,-0.1 -0.617 19.3-166.7 -82.1 142.6 70.1 55.4 51.7 43 74 A I - 0 0 3 -17,-2.7 7,-3.9 1,-0.4 11,-0.2 0.288 49.6 -84.6-115.9 10.6 71.3 52.6 49.3 44 75 A G - 0 0 17 -18,-0.3 -16,-2.4 5,-0.3 -1,-0.4 -0.453 68.4 -32.3 110.0 175.0 68.3 52.3 46.9 45 76 A Q > - 0 0 81 3,-0.5 3,-2.1 -18,-0.2 -16,-0.1 -0.359 61.1-112.1 -74.1 142.8 65.0 50.4 46.8 46 77 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -17,-0.1 0.805 115.3 48.5 -40.9 -43.6 64.8 47.0 48.6 47 78 A X T 3 S+ 0 0 94 1,-0.2 -38,-0.1 0, 0.0 -2,-0.0 0.622 128.2 21.4 -80.2 -14.3 64.4 45.0 45.4 48 79 A E S < S- 0 0 142 -3,-2.1 -3,-0.5 -40,-0.1 -1,-0.2 -0.353 77.2-173.8-150.0 68.3 67.3 46.8 43.6 49 80 A P - 0 0 9 0, 0.0 2,-0.8 0, 0.0 -5,-0.3 -0.192 40.8 -95.2 -60.0 154.0 69.8 48.4 45.9 50 81 A N > - 0 0 81 -7,-3.9 4,-2.2 1,-0.2 5,-0.2 -0.659 30.4-158.6 -75.9 108.1 72.6 50.5 44.3 51 82 A V H > S+ 0 0 32 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.860 92.1 48.6 -51.6 -42.6 75.6 48.2 44.0 52 83 A E H > S+ 0 0 140 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.904 111.9 47.6 -69.4 -45.0 78.0 51.2 43.8 53 84 A A H > S+ 0 0 27 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.811 111.4 50.7 -65.7 -36.0 76.5 53.0 46.8 54 85 A V H >< S+ 0 0 0 -4,-2.2 3,-1.1 -11,-0.2 -2,-0.2 0.932 109.0 50.6 -69.7 -46.4 76.6 49.8 49.0 55 86 A K H >< S+ 0 0 111 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.863 101.2 65.1 -56.8 -36.0 80.3 49.1 48.1 56 87 A K H 3< S+ 0 0 147 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.769 96.1 55.8 -59.4 -31.1 81.2 52.7 49.1 57 88 A L T << S- 0 0 33 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.335 103.4-132.1 -85.8 4.8 80.2 52.0 52.7 58 89 A K < - 0 0 162 -3,-1.9 -3,-0.1 1,-0.1 -2,-0.1 0.918 34.5-164.1 39.3 65.5 82.6 49.1 53.0 59 90 A P - 0 0 17 0, 0.0 -54,-0.2 0, 0.0 3,-0.1 -0.377 27.7-158.4 -78.5 157.1 80.0 46.8 54.6 60 91 A T S S+ 0 0 56 -56,-2.7 2,-0.4 1,-0.3 -55,-0.2 0.738 85.2 22.4 -95.4 -30.0 80.9 43.6 56.4 61 92 A H E -a 5 0A 35 -57,-1.5 -55,-2.5 20,-0.1 2,-0.5 -0.988 60.0-168.6-144.5 125.1 77.3 42.2 55.9 62 93 A V E -a 6 0A 1 20,-0.4 22,-0.5 -2,-0.4 2,-0.4 -0.978 22.6-154.4-118.0 119.3 74.6 43.0 53.4 63 94 A L E +ab 7 84A 0 -57,-2.4 -55,-2.2 -2,-0.5 -54,-0.2 -0.780 21.1 160.6-109.2 134.9 71.3 41.5 54.4 64 95 A S E - b 0 85A 0 20,-2.2 22,-2.1 -2,-0.4 2,-0.3 -0.612 31.1-101.3-131.9-168.7 68.2 40.5 52.3 65 96 A V E > - b 0 86A 3 20,-0.3 3,-1.4 -2,-0.2 22,-0.2 -0.913 19.7-119.1-127.0 151.8 65.2 38.2 52.6 66 97 A S G > S+ 0 0 31 20,-2.5 3,-1.7 -2,-0.3 4,-0.3 0.796 104.4 71.9 -46.4 -38.2 63.9 34.8 51.5 67 98 A T G 3 S+ 0 0 22 19,-0.3 -1,-0.2 1,-0.3 109,-0.1 0.751 113.0 23.6 -60.4 -29.4 61.0 36.3 49.6 68 99 A I G <> S+ 0 0 25 -3,-1.4 4,-1.5 1,-0.1 -1,-0.3 -0.007 82.8 126.8-125.4 28.9 63.2 37.8 46.8 69 100 A K H <> S+ 0 0 100 -3,-1.7 4,-0.6 1,-0.2 3,-0.5 0.925 76.1 46.3 -54.5 -50.0 66.2 35.5 47.1 70 101 A D H >4 S+ 0 0 122 -4,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.882 113.2 47.8 -62.3 -41.5 66.2 34.5 43.4 71 102 A E H 34 S+ 0 0 113 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.687 109.6 55.6 -77.2 -15.1 65.8 38.1 42.1 72 103 A X H 3X S+ 0 0 2 -4,-1.5 4,-2.0 -3,-0.5 5,-0.2 0.521 80.1 91.1 -90.0 -9.2 68.5 39.3 44.4 73 104 A Q H S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.901 109.1 53.9 -57.6 -40.3 72.6 39.2 40.4 75 106 A F H > S+ 0 0 11 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.967 111.6 43.0 -53.3 -62.5 72.8 42.0 43.1 76 107 A Y H X>S+ 0 0 5 -4,-2.0 4,-2.1 1,-0.2 5,-1.5 0.824 111.5 56.9 -53.4 -38.2 74.9 39.8 45.4 77 108 A K H <5S+ 0 0 162 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.959 111.2 41.7 -54.6 -51.6 77.0 38.6 42.4 78 109 A Q H <5S+ 0 0 124 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.827 114.1 51.4 -70.5 -34.7 77.9 42.2 41.5 79 110 A L H <5S- 0 0 6 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.853 101.0-144.1 -63.5 -33.6 78.5 43.1 45.2 80 111 A N T <5 + 0 0 142 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.915 57.2 119.5 63.1 46.4 80.7 40.0 45.2 81 112 A X S S- 0 0 29 1,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.975 78.3-104.7-162.2 166.6 56.1 33.5 58.5 91 122 A L H > S+ 0 0 1 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.950 122.1 49.3 -61.1 -50.0 56.2 34.2 62.2 92 123 A K H > S+ 0 0 153 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 113.6 47.1 -55.4 -48.8 58.2 30.9 62.8 93 124 A G H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -6,-0.3 0.934 112.6 47.1 -58.2 -50.2 60.6 31.9 60.0 94 125 A X H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.896 109.6 56.1 -62.2 -35.3 61.1 35.5 61.3 95 126 A Q H X S+ 0 0 18 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.917 109.1 46.1 -60.5 -44.7 61.6 34.1 64.8 96 127 A K H X S+ 0 0 121 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.919 112.1 50.8 -62.1 -47.9 64.4 31.9 63.5 97 128 A S H X S+ 0 0 2 -4,-2.5 4,-3.2 -10,-0.4 -2,-0.2 0.890 108.7 51.8 -54.7 -45.3 65.9 34.9 61.6 98 129 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.935 111.0 47.7 -60.4 -45.0 65.8 37.0 64.8 99 130 A T H X S+ 0 0 65 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 113.0 48.7 -60.0 -44.9 67.6 34.3 66.7 100 131 A Q H X S+ 0 0 85 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.947 110.9 48.9 -61.8 -50.7 70.2 34.0 64.0 101 132 A L H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.898 110.4 53.1 -52.2 -45.4 70.7 37.8 63.8 102 133 A G H <>S+ 0 0 1 -4,-2.6 5,-2.6 -5,-0.2 6,-0.5 0.918 111.7 45.2 -55.0 -46.4 71.1 37.8 67.6 103 134 A D H ><5S+ 0 0 110 -4,-2.2 3,-0.5 4,-0.2 -2,-0.2 0.892 114.7 47.5 -64.5 -43.0 73.8 35.1 67.3 104 135 A Q H 3<5S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.875 121.6 32.7 -66.3 -39.8 75.7 36.8 64.5 105 136 A F T 3<5S- 0 0 2 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.087 110.6-104.1-115.1 21.9 75.8 40.3 66.0 106 137 A N T < 5S+ 0 0 131 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.951 86.1 116.5 54.9 57.5 76.1 39.7 69.8 107 138 A R >< + 0 0 54 -5,-2.6 4,-2.4 -8,-0.1 -4,-0.2 -0.163 22.2 135.0-143.1 38.0 72.4 40.6 70.6 108 139 A K H > S+ 0 0 154 -6,-0.5 4,-2.3 1,-0.2 5,-0.2 0.872 73.8 48.8 -61.9 -42.5 71.2 37.3 71.9 109 140 A A H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 113.6 47.0 -63.5 -44.1 69.4 38.8 75.0 110 141 A Q H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.874 112.3 50.3 -65.3 -40.2 67.6 41.4 72.8 111 142 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.900 109.2 51.1 -63.7 -44.1 66.7 38.7 70.2 112 143 A K H X S+ 0 0 126 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.900 108.9 52.0 -63.1 -41.8 65.2 36.5 72.9 113 144 A E H X S+ 0 0 141 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.929 112.0 44.5 -57.4 -49.5 63.1 39.4 74.3 114 145 A L H X S+ 0 0 13 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.950 114.8 48.7 -64.8 -46.8 61.6 40.2 70.9 115 146 A N H X S+ 0 0 11 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.903 109.9 52.2 -56.2 -43.4 61.0 36.5 70.1 116 147 A D H X S+ 0 0 80 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.869 111.1 48.0 -61.7 -39.1 59.3 36.0 73.5 117 148 A H H X S+ 0 0 87 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.962 114.0 44.5 -67.5 -52.1 57.0 39.0 72.9 118 149 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.893 114.0 51.3 -58.0 -43.2 56.0 37.9 69.4 119 150 A N H X S+ 0 0 78 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.855 109.3 50.8 -59.6 -41.0 55.5 34.3 70.7 120 151 A S H X S+ 0 0 66 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.883 112.3 45.1 -67.3 -42.0 53.3 35.5 73.5 121 152 A V H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.925 113.7 50.4 -68.1 -47.2 51.1 37.5 71.2 122 153 A K H X S+ 0 0 48 -4,-2.6 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135.7 48.6 35.1 48.6 152 183 A T > - 0 0 0 24,-3.2 3,-1.9 -2,-0.4 6,-0.5 -0.455 38.0 -95.0 -99.2 175.3 49.2 31.5 49.8 153 184 A D T 3 S+ 0 0 35 19,-0.5 20,-0.1 17,-0.3 23,-0.1 0.678 122.2 68.0 -55.0 -20.9 49.7 30.0 53.3 154 185 A K T 3 S+ 0 0 90 21,-0.4 -1,-0.3 18,-0.3 22,-0.2 0.586 88.2 81.5 -79.8 -12.1 53.4 30.3 52.5 155 186 A S S <> S- 0 0 0 -3,-1.9 4,-2.1 21,-0.4 5,-0.1 -0.527 91.3-114.0 -90.4 161.7 53.3 34.1 52.6 156 187 A Y H > S+ 0 0 1 83,-0.4 4,-2.5 2,-0.2 5,-0.2 0.935 118.8 50.1 -60.5 -48.7 53.4 36.2 55.7 157 188 A I H > S+ 0 0 1 81,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.901 108.1 55.5 -59.4 -39.1 49.8 37.4 55.3 158 189 A G H > S+ 0 0 0 -6,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.919 107.9 47.6 -55.5 -46.6 48.8 33.8 54.8 159 190 A D H X S+ 0 0 23 -4,-2.1 4,-2.9 -70,-0.3 -2,-0.2 0.908 110.6 51.9 -62.0 -43.7 50.4 32.9 58.2 160 191 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.907 108.6 50.7 -57.2 -47.5 48.6 35.9 59.8 161 192 A V H <>S+ 0 0 1 -4,-2.5 5,-3.3 1,-0.2 4,-0.2 0.922 112.5 47.3 -57.6 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1,-0.1 -2,-0.1 0.362 86.2 88.4-110.6 0.4 44.8 32.8 37.2 182 213 A T T <4 S+ 0 0 83 -3,-1.8 2,-0.4 1,-0.1 -2,-0.1 0.980 100.4 28.3 -66.9 -58.8 46.8 29.9 38.9 183 214 A E S < S- 0 0 64 -4,-0.6 2,-0.6 -11,-0.0 -1,-0.1 -0.833 100.2-115.8 -90.1 141.6 43.9 28.8 41.1 184 215 A N > - 0 0 96 -2,-0.4 3,-1.8 1,-0.1 -3,-0.1 -0.756 15.6-151.0 -86.0 122.9 40.5 29.6 39.6 185 216 A L T 3 S+ 0 0 15 -2,-0.6 3,-0.4 -5,-0.3 -1,-0.1 0.437 90.2 69.1 -72.2 -7.0 38.6 32.1 41.6 186 217 A L T 3 S+ 0 0 121 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.583 93.8 59.5 -82.0 -13.4 35.2 30.8 40.5 187 218 A N S < S+ 0 0 147 -3,-1.8 2,-0.3 2,-0.0 -1,-0.2 0.305 93.7 79.0 -99.1 7.5 35.9 27.6 42.5 188 219 A I - 0 0 28 -3,-0.4 -49,-0.0 -4,-0.0 -18,-0.0 -0.795 57.2-159.1-115.3 157.5 36.2 29.3 46.0 189 220 A N - 0 0 98 -2,-0.3 -52,-0.2 32,-0.1 2,-0.2 -0.559 21.1-176.8-135.9 68.9 33.6 30.7 48.4 190 221 A P - 0 0 1 0, 0.0 33,-0.5 0, 0.0 -52,-0.2 -0.446 24.7-161.9 -78.2 140.0 35.3 33.2 50.7 191 222 A D S S+ 0 0 50 -54,-1.8 2,-0.4 1,-0.2 -53,-0.2 0.813 86.1 31.3 -74.9 -35.9 33.4 34.9 53.6 192 223 A I E -e 138 0C 10 -55,-2.3 -53,-2.3 37,-0.0 2,-0.5 -0.965 65.8-160.7-126.8 136.5 36.1 37.6 53.7 193 224 A I E -eh 139 229C 0 35,-2.4 37,-2.8 -2,-0.4 2,-0.5 -0.992 11.9-161.8-113.1 125.2 38.3 39.1 50.9 194 225 A L E -eh 140 230C 0 -55,-3.1 -53,-3.3 -2,-0.5 2,-0.5 -0.907 1.3-163.9-102.8 133.7 41.5 40.9 52.0 195 226 A R E -eh 141 231C 14 35,-3.2 37,-2.7 -2,-0.5 -53,-0.2 -0.970 7.5-176.3-119.6 120.3 43.3 43.3 49.6 196 227 A L E -e 142 0C 0 -55,-2.6 -53,-3.3 -2,-0.5 2,-0.3 -0.921 13.9-143.8-114.2 138.2 46.9 44.4 50.4 197 228 A P E -e 143 0C 18 0, 0.0 2,-0.3 0, 0.0 -53,-0.2 -0.717 16.6-172.3-102.5 154.3 48.8 46.9 48.4 198 229 A H - 0 0 36 -55,-1.1 2,-2.7 -2,-0.3 6,-0.1 -0.999 55.0 -6.0-146.4 143.8 52.6 46.9 47.5 199 230 A G S S+ 0 0 26 -2,-0.3 -55,-0.1 -55,-0.1 -56,-0.0 -0.276 135.5 27.6 79.4 -55.2 55.2 49.0 45.9 200 231 A X S > S- 0 0 100 -2,-2.7 4,-2.3 -57,-0.2 3,-0.5 -0.674 72.3-179.5-138.4 75.8 52.9 51.8 44.8 201 232 A P H > S+ 0 0 30 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.836 78.7 50.5 -56.6 -42.5 49.9 51.8 47.2 202 233 A E H > S+ 0 0 117 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.890 114.2 45.1 -59.8 -44.7 47.9 54.6 45.6 203 234 A E H > S+ 0 0 88 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.865 113.2 51.7 -67.4 -36.9 48.2 53.1 42.2 204 235 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.903 107.0 51.3 -68.7 -41.1 47.3 49.6 43.6 205 236 A K H X S+ 0 0 98 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.858 112.7 45.0 -69.8 -32.1 44.2 50.8 45.4 206 237 A K H X S+ 0 0 148 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.841 112.3 53.6 -78.2 -32.3 42.7 52.5 42.3 207 238 A X H X S+ 0 0 39 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.905 110.7 44.9 -60.1 -47.1 43.7 49.4 40.4 208 239 A F H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.889 112.9 53.6 -62.0 -39.7 41.8 47.2 42.9 209 240 A Q H X S+ 0 0 87 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.908 112.9 41.4 -59.6 -49.7 38.9 49.7 42.7 210 241 A K H X S+ 0 0 127 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.836 112.9 54.8 -69.3 -40.0 38.8 49.5 38.9 211 242 A E H X S+ 0 0 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