==== 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 BINDING PROTEIN 09-FEB-07 2OU3 . COMPND 2 MOLECULE: TELLURITE RESISTANCE PROTEIN OF COG3793; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC PUNCTIFORME; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 72.2 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 . 0 0.0 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 2 0 0 0 2 0 0 0 4 2 2 2 0 0 0 0 0 0 0 0 2 0 0 0 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 . 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 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 1 A X 0 0 105 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.1 26.8 44.5 37.6 2 2 A S > - 0 0 56 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.282 360.0-108.7 -66.8 161.6 28.6 41.2 38.0 3 3 A D H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.896 122.7 49.5 -60.7 -37.9 31.4 40.4 35.7 4 4 A I H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.930 110.0 50.3 -70.8 -41.2 29.2 37.8 33.9 5 5 A K H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.938 110.0 51.1 -56.1 -47.9 26.3 40.4 33.6 6 6 A K H X S+ 0 0 101 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.843 105.4 57.2 -60.4 -35.0 28.8 42.8 32.1 7 7 A L H X S+ 0 0 57 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.952 112.9 38.6 -58.4 -50.2 29.9 40.2 29.7 8 8 A G H X S+ 0 0 6 -4,-1.9 4,-2.5 211,-0.2 5,-0.2 0.894 117.9 48.5 -68.6 -43.8 26.4 39.8 28.3 9 9 A S H X S+ 0 0 6 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.906 111.9 48.4 -65.6 -43.1 25.4 43.4 28.5 10 10 A S H X S+ 0 0 54 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.901 113.1 49.3 -60.4 -42.7 28.6 44.6 26.7 11 11 A W H X S+ 0 0 25 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.955 114.8 41.9 -64.9 -50.0 28.1 42.0 24.0 12 12 A I H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.867 114.2 51.1 -69.7 -37.1 24.5 42.8 23.3 13 13 A I H X>S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.2 6,-0.7 0.948 114.4 45.1 -63.7 -44.4 25.0 46.6 23.5 14 14 A N H X5S+ 0 0 55 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.905 110.8 55.6 -62.9 -40.1 27.9 46.2 21.0 15 15 A W H <5S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.940 119.4 27.8 -58.5 -51.2 25.9 43.9 18.8 16 16 A F H <5S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.803 137.7 20.7 -84.7 -33.1 22.9 46.3 18.3 17 17 A F H <5S- 0 0 10 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.576 90.6-122.9-117.8 -11.8 24.6 49.7 18.7 18 18 A G << + 0 0 24 -4,-1.6 -4,-0.2 -5,-0.6 -3,-0.1 0.472 58.6 151.5 82.3 3.4 28.3 49.3 18.0 19 19 A F - 0 0 13 -6,-0.7 -1,-0.2 1,-0.1 -2,-0.1 -0.353 42.3-156.6 -74.7 144.7 29.2 50.7 21.4 20 20 A N S S+ 0 0 147 301,-2.4 2,-0.3 -2,-0.1 -1,-0.1 0.366 80.3 49.4 -98.4 7.3 32.3 49.8 23.3 21 21 A Q S S- 0 0 123 300,-0.6 -2,-0.0 -11,-0.1 300,-0.0 -0.970 89.2-111.3-142.5 145.9 30.9 50.7 26.7 22 22 A I - 0 0 41 -2,-0.3 -12,-0.1 1,-0.1 3,-0.1 -0.704 41.2-118.7 -77.7 127.1 27.5 49.8 28.4 23 23 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 298,-0.0 -0.306 33.5 -96.8 -60.8 152.7 25.4 53.0 28.6 24 24 A T > - 0 0 66 1,-0.1 4,-2.4 38,-0.0 5,-0.2 -0.265 31.9-113.5 -60.0 154.1 24.3 54.2 32.1 25 25 A N H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.875 120.0 57.5 -56.5 -37.8 20.9 53.1 33.2 26 26 A E H > S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.911 107.7 45.9 -57.8 -47.1 19.9 56.8 33.0 27 27 A D H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.893 110.6 52.2 -65.1 -40.6 20.9 56.9 29.4 28 28 A S H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.929 112.1 48.5 -59.4 -43.2 19.1 53.7 28.5 29 29 A S H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.949 113.5 44.0 -59.9 -52.7 16.0 55.2 30.2 30 30 A I H X S+ 0 0 25 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.924 113.8 52.0 -61.2 -44.2 16.2 58.5 28.3 31 31 A Y H X S+ 0 0 15 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.940 112.2 45.0 -57.3 -49.3 16.9 56.7 25.0 32 32 A X H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.864 110.1 54.3 -67.0 -37.5 13.9 54.4 25.4 33 33 A K H X S+ 0 0 33 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.896 109.6 49.0 -59.9 -39.1 11.7 57.3 26.5 34 34 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.919 111.0 49.7 -63.8 -44.0 12.8 59.1 23.3 35 35 A V H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.930 112.3 46.8 -62.5 -47.1 12.0 55.9 21.3 36 36 A L H X S+ 0 0 4 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.901 112.1 50.2 -63.8 -42.2 8.5 55.6 22.8 37 37 A T H X S+ 0 0 8 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.917 113.4 47.5 -57.5 -44.8 7.8 59.3 22.3 38 38 A C H < S+ 0 0 1 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.924 113.5 45.4 -63.2 -49.8 8.9 58.9 18.6 39 39 A A H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 117.9 43.8 -62.1 -44.5 6.8 55.7 18.0 40 40 A K H < S+ 0 0 25 -4,-2.8 3,-0.3 -5,-0.2 -2,-0.2 0.912 83.8 151.9 -68.5 -41.7 3.8 57.2 19.7 41 41 A A S < S- 0 0 22 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.1 -0.237 76.4 -17.0 54.1-118.1 4.4 60.5 17.9 42 42 A D S S+ 0 0 73 -3,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.951 136.9 35.2 -76.3 -50.5 1.0 62.2 17.5 43 43 A G S S- 0 0 47 -3,-0.3 2,-0.2 1,-0.2 -3,-0.1 0.790 97.5 -60.0 -84.0-126.0 -1.1 59.2 18.1 44 44 A V - 0 0 70 -5,-0.1 2,-0.4 0, 0.0 -1,-0.2 -0.750 28.2-133.7-122.6 171.6 -0.9 56.2 20.3 45 45 A I - 0 0 34 -2,-0.2 -5,-0.1 -4,-0.1 59,-0.0 -0.997 29.3-128.6-125.2 127.9 1.3 53.2 20.9 46 46 A S > - 0 0 32 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.383 21.4-111.2 -74.4 157.9 -0.3 49.8 21.2 47 47 A P H > S+ 0 0 103 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.886 120.6 51.8 -49.2 -45.4 0.4 47.3 24.1 48 48 A E H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.883 110.3 47.4 -62.4 -41.8 2.1 45.0 21.6 49 49 A E H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 114.5 46.8 -64.3 -46.8 4.4 47.9 20.4 50 50 A K H X S+ 0 0 39 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.910 109.7 54.2 -63.9 -39.0 5.2 48.9 24.0 51 51 A D H X S+ 0 0 95 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.881 107.3 50.0 -61.7 -41.3 5.8 45.3 25.0 52 52 A W H X S+ 0 0 50 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.903 111.0 49.7 -61.2 -42.9 8.4 44.9 22.2 53 53 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.923 112.0 47.3 -62.6 -45.1 10.1 48.1 23.2 54 54 A L H X S+ 0 0 11 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.883 112.5 50.0 -64.7 -38.2 10.3 47.1 26.9 55 55 A G H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.892 110.3 49.7 -67.3 -40.3 11.6 43.6 25.9 56 56 A F H X S+ 0 0 10 -4,-2.5 4,-0.6 2,-0.2 3,-0.2 0.967 114.3 45.7 -62.5 -46.0 14.3 45.2 23.7 57 57 A C H ><>S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 5,-0.7 0.929 111.1 52.0 -65.6 -44.5 15.3 47.4 26.6 58 58 A A H ><5S+ 0 0 10 -4,-3.0 3,-2.1 1,-0.3 -1,-0.2 0.850 98.3 66.7 -59.2 -36.0 15.3 44.6 29.2 59 59 A S H 3<5S+ 0 0 12 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.727 89.3 65.2 -60.2 -26.7 17.5 42.5 26.9 60 60 A W T <<5S- 0 0 7 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.538 114.9-114.6 -74.1 -6.4 20.4 45.0 27.5 61 61 A G T < 5 + 0 0 31 -3,-2.1 -2,-0.1 -4,-0.2 -3,-0.1 0.695 52.6 172.3 80.3 21.1 20.4 44.0 31.2 62 62 A V < - 0 0 13 -5,-0.7 -1,-0.1 1,-0.1 5,-0.1 -0.129 44.3 -84.5 -52.3 151.2 19.3 47.5 32.4 63 63 A A >> - 0 0 34 1,-0.1 3,-1.5 3,-0.0 4,-0.8 -0.310 41.5-112.1 -54.0 147.0 18.5 47.8 36.1 64 64 A D H 3> S+ 0 0 89 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.804 113.3 67.6 -54.5 -38.2 14.9 46.8 37.0 65 65 A W H 3> S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.840 93.7 59.6 -50.7 -36.3 14.0 50.4 37.8 66 66 A V H <> S+ 0 0 0 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.936 110.5 39.5 -62.6 -45.7 14.4 51.3 34.2 67 67 A I H X S+ 0 0 0 -4,-0.8 4,-2.3 -3,-0.3 -2,-0.2 0.924 114.8 51.6 -71.4 -43.8 11.8 48.8 33.0 68 68 A E H X S+ 0 0 98 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.924 112.4 47.5 -57.9 -40.9 9.4 49.5 35.9 69 69 A D H X S+ 0 0 58 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.859 110.0 51.8 -72.1 -34.5 9.6 53.2 35.2 70 70 A L H < S+ 0 0 0 -4,-1.8 3,-0.5 -5,-0.2 -1,-0.2 0.859 102.0 62.3 -65.6 -36.8 9.0 52.7 31.4 71 71 A K H < S+ 0 0 89 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.889 112.7 34.7 -55.3 -40.6 5.9 50.6 32.2 72 72 A T H < S+ 0 0 113 -4,-1.1 2,-0.3 -5,-0.1 -1,-0.2 0.474 92.8 119.4 -93.0 -4.9 4.2 53.7 33.9 73 73 A Y < - 0 0 27 -4,-0.6 2,-0.7 -3,-0.5 -3,-0.0 -0.459 52.2-153.6 -72.3 128.1 5.7 56.2 31.5 74 74 A E - 0 0 129 -2,-0.3 2,-2.5 1,-0.0 3,-0.2 -0.904 12.6-145.7 -98.8 111.2 3.3 58.3 29.5 75 75 A A + 0 0 9 -2,-0.7 4,-0.1 1,-0.2 -34,-0.1 -0.350 63.3 117.5 -82.7 62.1 5.2 59.2 26.4 76 76 A D + 0 0 101 -2,-2.5 -1,-0.2 2,-0.1 2,-0.1 0.163 42.5 109.1-114.2 14.6 3.5 62.6 26.1 77 77 A E S S- 0 0 71 -3,-0.2 2,-0.4 1,-0.1 3,-0.0 -0.404 82.8 -87.3 -87.0 166.4 6.6 64.8 26.5 78 78 A A >> - 0 0 33 1,-0.2 4,-2.0 -2,-0.1 3,-0.7 -0.623 33.6-139.4 -76.6 126.9 8.3 66.9 23.8 79 79 A L H 3> S+ 0 0 5 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.895 101.1 53.8 -57.3 -41.8 10.8 64.7 22.0 80 80 A E H 3> S+ 0 0 99 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.819 109.1 49.5 -63.3 -31.8 13.4 67.5 21.8 81 81 A E H <4 S+ 0 0 119 -3,-0.7 4,-0.4 2,-0.2 -1,-0.2 0.870 109.3 51.9 -73.2 -37.8 13.2 68.1 25.5 82 82 A V H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 4,-0.2 0.957 109.7 47.2 -61.8 -51.0 13.6 64.4 26.3 83 83 A I H >< S+ 0 0 17 -4,-2.3 3,-1.8 1,-0.3 7,-0.3 0.844 102.5 64.9 -63.9 -30.8 16.8 64.0 24.2 84 84 A A T 3< S+ 0 0 71 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.581 81.6 79.6 -71.4 -7.5 18.3 67.1 25.7 85 85 A R T < S+ 0 0 108 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.699 101.9 35.8 -70.2 -16.4 18.3 65.3 29.1 86 86 A S <> - 0 0 2 -3,-1.8 4,-2.1 -4,-0.2 -1,-0.2 -0.981 63.6-148.9-141.8 130.3 21.5 63.5 27.9 87 87 A P T 4 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.803 106.0 50.3 -61.8 -27.8 24.5 64.5 25.8 88 88 A Q T >4 S+ 0 0 60 2,-0.2 3,-1.9 1,-0.2 4,-0.2 0.916 110.4 46.2 -76.0 -46.7 24.7 60.9 24.6 89 89 A V G >4 S+ 0 0 5 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.855 103.2 66.5 -64.0 -28.6 21.1 60.6 23.7 90 90 A S G 3< S+ 0 0 42 -4,-2.1 -1,-0.3 -7,-0.3 -2,-0.2 0.441 101.8 48.1 -74.0 1.9 21.4 63.9 21.9 91 91 A X G < S+ 0 0 69 -3,-1.9 3,-0.3 -5,-0.1 -1,-0.3 0.341 96.6 77.8-107.0 -1.1 23.8 62.1 19.4 92 92 A A <> + 0 0 3 -3,-1.8 4,-3.3 -4,-0.2 5,-0.3 0.083 49.5 124.0-105.5 20.3 21.4 59.3 18.9 93 93 A Q H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.873 80.6 39.2 -55.5 -47.7 18.8 60.8 16.6 94 94 A R H > S+ 0 0 69 220,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.879 116.6 52.2 -70.7 -36.8 19.1 58.1 13.8 95 95 A D H > S+ 0 0 3 219,-0.3 4,-2.2 1,-0.2 5,-0.2 0.929 109.3 49.2 -62.5 -48.1 19.4 55.3 16.3 96 96 A I H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.924 111.3 50.4 -57.6 -47.1 16.2 56.5 18.1 97 97 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.917 109.1 50.5 -60.7 -45.6 14.3 56.7 14.8 98 98 A L H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.914 111.7 46.7 -61.5 -45.6 15.3 53.2 13.7 99 99 A S H X S+ 0 0 8 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.913 110.9 53.8 -61.6 -40.1 14.2 51.7 17.0 100 100 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.897 107.7 50.5 -61.1 -39.9 11.0 53.7 16.7 101 101 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.940 111.8 47.3 -60.4 -49.0 10.4 52.2 13.3 102 102 A W H X S+ 0 0 28 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.900 112.3 50.1 -61.7 -42.3 11.0 48.6 14.7 103 103 A V H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.2 4,-0.3 0.917 110.6 49.1 -59.5 -46.2 8.7 49.4 17.6 104 104 A S H >< S+ 0 0 1 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.820 110.1 52.3 -63.5 -34.2 6.0 50.6 15.2 105 105 A A H >< S+ 0 0 11 -4,-1.9 3,-1.9 1,-0.2 -1,-0.3 0.641 86.9 87.2 -74.3 -13.6 6.4 47.5 13.1 106 106 A A T << S+ 0 0 22 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.748 92.4 41.4 -64.8 -28.8 6.0 45.2 16.1 107 107 A D T < S- 0 0 62 -3,-0.6 -1,-0.3 1,-0.4 2,-0.2 0.070 133.6 -45.8-105.6 21.0 2.2 45.0 15.9 108 108 A G S < S- 0 0 38 -3,-1.9 -1,-0.4 3,-0.0 3,-0.1 -0.468 84.1 -40.6 130.7 160.8 2.1 44.7 12.1 109 109 A E S S- 0 0 83 -2,-0.2 2,-0.2 1,-0.1 -3,-0.0 -0.114 75.9 -86.8 -54.8 145.6 3.5 46.2 8.8 110 110 A L - 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0 0 72 -5,-0.1 2,-0.4 -4,-0.1 -1,-0.3 -0.855 32.8-147.8-129.5 157.9 41.9 25.3 18.1 206 45 B I - 0 0 40 -2,-0.3 -5,-0.1 -4,-0.1 30,-0.0 -0.997 26.7-132.0-127.4 121.8 39.6 28.1 19.3 207 46 B S > - 0 0 31 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.310 20.3-113.6 -73.6 154.8 41.2 31.5 20.0 208 47 B P H > S+ 0 0 103 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.896 119.4 51.3 -50.6 -42.9 40.5 33.5 23.2 209 48 B E H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.898 110.0 48.5 -65.0 -40.1 38.8 36.1 21.1 210 49 B E H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.952 114.4 46.2 -62.3 -46.4 36.5 33.5 19.4 211 50 B K H X S+ 0 0 37 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.888 109.6 54.1 -64.3 -40.0 35.7 32.0 22.8 212 51 B D H X S+ 0 0 97 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.864 108.2 49.8 -60.2 -41.3 35.0 35.4 24.3 213 52 B W H X S+ 0 0 49 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.937 111.2 49.6 -62.8 -44.1 32.5 36.2 21.5 214 53 B A H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.912 112.5 46.9 -58.9 -47.2 30.8 32.9 22.1 215 54 B L H X S+ 0 0 10 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.876 112.7 49.0 -66.0 -37.9 30.5 33.4 25.9 216 55 B G H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.891 110.2 51.4 -69.2 -40.3 29.2 37.0 25.4 217 56 B F H X S+ 0 0 2 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.935 114.6 43.5 -57.0 -50.6 26.6 35.7 22.9 218 57 B C H ><>S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 5,-0.7 0.947 112.0 52.2 -62.4 -47.6 25.5 33.1 25.4 219 58 B A H ><5S+ 0 0 12 -4,-3.0 3,-2.0 1,-0.3 -1,-0.2 0.861 98.8 66.6 -59.6 -34.2 25.5 35.5 28.4 220 59 B S H 3<5S+ 0 0 7 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.724 89.3 66.1 -62.1 -20.9 23.4 38.0 26.4 221 60 B W T <<5S- 0 0 6 -3,-1.7 -1,-0.3 -4,-0.5 -47,-0.2 0.591 115.2-113.5 -76.8 -7.1 20.5 35.4 26.5 222 61 B G T < 5 + 0 0 14 -3,-2.0 -3,-0.1 -4,-0.2 -2,-0.1 0.672 54.6 169.9 82.3 21.3 20.3 35.9 30.3 223 62 B V < - 0 0 12 -5,-0.7 -1,-0.2 1,-0.1 -38,-0.0 -0.146 45.2 -85.2 -55.4 153.9 21.4 32.4 31.2 224 63 B A >> - 0 0 32 1,-0.1 3,-1.2 3,-0.0 4,-0.9 -0.301 40.1-112.7 -57.1 147.2 22.2 31.6 34.8 225 64 B D H 3> S+ 0 0 72 1,-0.3 4,-2.6 2,-0.2 3,-0.2 0.838 112.7 67.8 -55.2 -38.4 25.8 32.4 35.8 226 65 B W H 3> S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.840 93.9 57.9 -51.4 -35.2 26.6 28.8 36.2 227 66 B V H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.956 111.1 40.8 -62.7 -48.1 26.3 28.2 32.5 228 67 B I H X S+ 0 0 1 -4,-0.9 4,-2.4 -3,-0.2 -2,-0.2 0.930 113.6 52.5 -68.3 -44.1 29.0 30.9 31.7 229 68 B E H X S+ 0 0 106 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.903 112.7 46.0 -58.9 -43.2 31.3 29.9 34.6 230 69 B D H X S+ 0 0 56 -4,-2.4 4,-0.8 -5,-0.2 3,-0.4 0.869 109.3 53.5 -67.3 -40.6 31.2 26.3 33.4 231 70 B L H >< S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.870 101.0 63.5 -63.1 -34.8 31.8 27.2 29.7 232 71 B K H 3< S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.870 112.5 32.7 -54.3 -39.7 34.8 29.2 30.8 233 72 B T H 3< S+ 0 0 113 -4,-0.9 2,-0.2 -3,-0.4 -1,-0.2 0.449 92.6 119.6 -98.2 -2.6 36.6 26.0 32.0 234 73 B Y << - 0 0 25 -4,-0.8 2,-0.7 -3,-0.5 -3,-0.0 -0.449 53.4-150.7 -71.0 129.3 35.1 23.7 29.4 235 74 B E - 0 0 132 -2,-0.2 2,-2.5 1,-0.0 3,-0.2 -0.907 11.8-143.7 -99.7 113.5 37.5 22.0 27.1 236 75 B A + 0 0 12 -2,-0.7 4,-0.1 1,-0.2 -2,-0.0 -0.353 63.0 121.3 -81.3 61.8 35.7 21.4 23.9 237 76 B D + 0 0 101 -2,-2.5 -1,-0.2 2,-0.1 2,-0.1 0.228 41.8 104.6-109.4 9.3 37.4 18.1 23.3 238 77 B E S S- 0 0 69 -3,-0.2 2,-0.4 1,-0.1 3,-0.0 -0.372 83.6 -87.4 -89.1 168.9 34.3 15.9 23.1 239 78 B A > - 0 0 31 1,-0.1 4,-2.1 -2,-0.1 3,-0.5 -0.645 34.2-135.9 -76.7 131.3 32.6 14.3 20.0 240 79 B L H > S+ 0 0 4 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.883 103.3 51.0 -55.6 -43.7 30.1 16.8 18.5 241 80 B E H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.845 109.2 52.1 -66.1 -31.3 27.4 14.2 18.0 242 81 B E H 4 S+ 0 0 116 -3,-0.5 4,-0.4 2,-0.2 -2,-0.2 0.900 109.6 49.2 -70.3 -39.7 27.8 13.0 21.6 243 82 B V H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 4,-0.2 0.970 112.3 46.6 -66.2 -45.8 27.3 16.5 22.9 244 83 B I H >< S+ 0 0 9 -4,-2.3 3,-1.8 1,-0.3 7,-0.3 0.858 102.9 64.0 -66.3 -34.0 24.2 17.2 20.9 245 84 B A T 3< S+ 0 0 70 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.580 82.1 80.6 -66.5 -10.1 22.6 13.9 21.8 246 85 B R T < S+ 0 0 114 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.700 99.6 38.6 -71.3 -15.1 22.5 15.0 25.4 247 86 B S <> - 0 0 2 -3,-1.8 4,-2.1 -4,-0.2 -1,-0.1 -0.997 64.5-149.3-137.5 132.1 19.3 17.0 24.6 248 87 B P T 4 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.820 106.1 50.6 -63.5 -29.1 16.3 16.3 22.3 249 88 B Q T >4 S+ 0 0 62 2,-0.2 3,-1.7 1,-0.2 4,-0.2 0.924 110.2 46.0 -73.5 -47.5 16.1 20.0 21.7 250 89 B V G >4 S+ 0 0 6 1,-0.3 3,-2.0 2,-0.2 7,-0.2 0.869 102.8 67.1 -65.6 -29.2 19.7 20.5 20.8 251 90 B S G 3< S+ 0 0 43 -4,-2.1 -1,-0.3 -7,-0.3 -2,-0.2 0.541 101.3 48.4 -66.9 -7.4 19.4 17.4 18.6 252 91 B X G < S+ 0 0 75 -3,-1.7 3,-0.3 1,-0.1 -1,-0.3 0.366 97.4 76.2-100.1 -3.0 17.1 19.5 16.3 253 92 B A <> + 0 0 2 -3,-2.0 4,-3.1 -4,-0.2 5,-0.2 -0.006 50.5 123.5-105.1 23.6 19.5 22.4 16.2 254 93 B Q H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 80.7 40.5 -59.0 -46.3 22.1 21.3 13.8 255 94 B R H > S+ 0 0 68 -102,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.920 115.5 52.8 -69.2 -40.6 21.9 24.2 11.3 256 95 B D H > S+ 0 0 2 -103,-0.3 4,-2.4 1,-0.2 5,-0.2 0.941 110.0 48.4 -54.4 -51.9 21.5 26.7 14.2 257 96 B I H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.929 111.0 50.7 -56.6 -47.3 24.7 25.3 15.9 258 97 B L H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.935 109.9 49.6 -63.7 -39.7 26.6 25.5 12.5 259 98 B L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.934 112.3 46.9 -64.5 -44.9 25.5 29.1 12.0 260 99 B S H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.910 110.6 53.6 -60.8 -41.5 26.6 30.1 15.5 261 100 B A H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.845 107.2 51.9 -60.0 -36.2 29.9 28.2 14.9 262 101 B I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.941 110.7 47.2 -65.5 -47.1 30.5 30.2 11.7 263 102 B W H X S+ 0 0 20 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.897 111.6 51.3 -59.4 -43.7 29.9 33.5 13.6 264 103 B V H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.4 0.930 109.6 49.4 -60.2 -45.3 32.2 32.4 16.4 265 104 B S H >< S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.849 110.2 51.4 -61.3 -37.4 35.0 31.5 13.9 266 105 B A H >< S+ 0 0 12 -4,-1.9 3,-1.9 1,-0.2 -1,-0.3 0.601 86.8 87.9 -75.1 -11.1 34.6 34.9 12.2 267 106 B A T << S+ 0 0 24 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.812 93.1 41.3 -63.1 -32.6 34.9 36.8 15.6 268 107 B D T < S- 0 0 59 -3,-0.6 -1,-0.3 -4,-0.4 2,-0.1 0.087 133.4 -49.2-102.5 21.7 38.7 36.9 15.3 269 108 B G S < S- 0 0 36 -3,-1.9 -1,-0.4 3,-0.0 3,-0.2 -0.452 82.9 -36.2 129.4 161.8 38.8 37.8 11.6 270 109 B E S S- 0 0 113 1,-0.2 2,-0.2 -2,-0.1 -3,-0.0 -0.055 76.3 -89.2 -48.9 144.3 37.5 36.8 8.2 271 110 B L - 0 0 15 4,-0.1 -1,-0.2 3,-0.1 2,-0.1 -0.385 41.5-149.8 -61.8 124.5 37.0 33.1 7.6 272 111 B H > - 0 0 49 -2,-0.2 4,-2.3 -3,-0.2 5,-0.2 -0.371 31.2-105.7 -83.1 168.1 40.1 31.3 6.3 273 112 B E H > S+ 0 0 136 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.851 123.3 61.2 -66.6 -27.7 39.9 28.3 4.0 274 113 B K H > S+ 0 0 179 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 107.3 43.4 -57.3 -47.5 41.0 26.3 7.1 275 114 B E H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.903 112.8 51.9 -66.3 -40.0 37.9 27.5 9.0 276 115 B K H X S+ 0 0 52 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.905 109.8 50.3 -63.4 -38.6 35.7 26.8 5.9 277 116 B A H X S+ 0 0 45 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.895 110.5 49.0 -62.6 -46.4 37.2 23.3 5.8 278 117 B K H X S+ 0 0 31 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.910 107.6 55.1 -53.8 -50.9 36.4 22.7 9.5 279 118 B I H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.858 109.2 47.3 -52.4 -43.5 32.8 23.9 9.1 280 119 B R H X S+ 0 0 49 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.885 108.8 53.5 -72.1 -37.1 32.3 21.4 6.4 281 120 B K H X S+ 0 0 152 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.896 113.2 44.4 -61.1 -40.2 33.8 18.5 8.4 282 121 B X H X S+ 0 0 19 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.905 108.1 57.5 -72.0 -41.4 31.4 19.4 11.2 283 122 B A H X>S+ 0 0 2 -4,-2.4 5,-2.9 1,-0.2 4,-0.7 0.861 104.8 52.7 -56.0 -37.3 28.5 19.7 8.8 284 123 B T H ><5S+ 0 0 113 -4,-1.9 3,-0.9 2,-0.2 -1,-0.2 0.939 110.1 46.6 -63.7 -44.8 29.1 16.2 7.7 285 124 B I H 3<5S+ 0 0 79 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.933 114.3 49.2 -60.2 -43.5 29.0 15.0 11.3 286 125 B L H 3<5S- 0 0 19 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.579 113.9-119.9 -70.5 -10.8 25.8 17.1 11.7 287 126 B G T <<5 + 0 0 64 -3,-0.9 2,-0.5 -4,-0.7 -3,-0.2 0.696 60.5 150.6 76.1 21.0 24.3 15.6 8.6 288 127 B I < - 0 0 18 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.761 44.4-125.2 -92.1 128.6 24.0 19.0 6.9 289 128 B K >> - 0 0 165 -2,-0.5 4,-2.3 1,-0.1 3,-1.0 -0.358 19.9-116.1 -70.4 147.8 24.2 19.0 3.1 290 129 B E H 3> S+ 0 0 89 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.835 113.6 59.4 -54.1 -40.9 26.8 21.2 1.3 291 130 B E H 3> S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.905 109.7 44.9 -56.3 -39.1 24.1 23.4 -0.4 292 131 B I H <> S+ 0 0 21 -3,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.906 109.6 54.1 -73.4 -42.9 22.8 24.2 3.1 293 132 B V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.944 109.6 49.0 -49.7 -49.9 26.4 24.8 4.4 294 133 B D H X S+ 0 0 74 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.870 111.2 50.3 -60.0 -37.7 26.9 27.3 1.6 295 134 B Q H X S+ 0 0 82 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.867 109.4 50.1 -67.9 -38.2 23.6 29.0 2.4 296 135 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.911 111.8 48.1 -67.4 -42.5 24.5 29.3 6.1 297 136 B E H X S+ 0 0 11 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.937 111.9 49.6 -62.9 -44.7 27.9 30.9 5.2 298 137 B Q H X S+ 0 0 91 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.882 108.9 52.9 -60.0 -39.7 26.2 33.3 2.8 299 138 B L H X S+ 0 0 8 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.930 107.9 51.3 -62.0 -45.9 23.7 34.2 5.5 300 139 B Y H X S+ 0 0 24 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.941 110.3 48.6 -51.5 -52.1 26.6 35.0 7.8 301 140 B Y H X S+ 0 0 95 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 114.3 46.1 -60.7 -43.1 28.2 37.2 5.2 302 141 B Y H X S+ 0 0 144 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.916 113.5 47.9 -63.2 -47.3 25.0 39.1 4.6 303 142 B E H X S+ 0 0 22 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.901 113.2 47.8 -60.8 -45.7 24.1 39.5 8.3 304 143 B A H X S+ 0 0 23 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.918 114.4 46.9 -65.0 -41.7 27.6 40.8 9.1 305 144 B A H X S+ 0 0 61 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.901 111.8 50.1 -65.9 -41.8 27.5 43.2 6.1 306 145 B L H X S+ 0 0 27 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.885 109.0 52.7 -66.4 -38.0 24.0 44.5 7.0 307 146 B R H X S+ 0 0 34 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.933 108.7 49.1 -61.2 -47.0 25.1 45.1 10.6 308 147 B Q H X S+ 0 0 94 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.913 110.5 51.9 -58.0 -43.0 28.1 47.2 9.4 309 148 B K H X S+ 0 0 135 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.909 109.5 49.8 -57.1 -47.3 25.7 49.1 7.1 310 149 B R H X S+ 0 0 24 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.943 111.7 47.4 -56.8 -50.2 23.4 49.8 10.1 311 150 B L H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.897 112.0 49.1 -66.5 -38.4 26.2 51.0 12.3 312 151 B N H < S+ 0 0 103 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.842 113.4 47.7 -68.4 -30.9 27.6 53.3 9.7 313 152 B L H < S+ 0 0 22 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.885 115.9 43.0 -75.4 -41.3 24.2 54.8 9.0 314 153 B L H < S+ 0 0 8 -4,-2.6 -220,-0.3 1,-0.2 -219,-0.3 0.898 133.6 17.7 -68.9 -42.2 23.4 55.3 12.7 315 154 B Y < + 0 0 22 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 -0.617 66.4 160.0-136.1 71.8 26.8 56.7 13.6 316 155 B P S S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.748 82.9 5.7 -67.2 -25.4 28.7 57.8 10.5 317 156 B Q S S+ 0 0 178 1,-0.5 2,-0.1 -3,-0.1 -2,-0.1 0.352 126.5 16.4-121.6-101.5 31.1 60.0 12.5 318 157 B K - 0 0 174 2,-0.0 -1,-0.5 3,-0.0 3,-0.0 -0.426 59.0-155.2 -80.5 150.0 31.0 60.1 16.3 319 158 B S - 0 0 48 -2,-0.1 -227,-0.1 -3,-0.1 -4,-0.1 -0.958 16.6-137.0-117.8 143.6 29.3 57.5 18.6 320 159 B P 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -231,-0.1 0.812 360.0 360.0 -67.2 -29.8 28.1 58.3 22.1 321 160 B Y 0 0 37 -304,-0.1 -301,-2.4 -233,-0.1 -300,-0.6 0.304 360.0 360.0-139.6 360.0 29.5 55.1 23.6