==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-FEB-08 3CEX . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR M.E.CUFF,R.WU,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTUR . 340 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 72.6 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 . 12 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 . 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 . 14 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 6 2 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 2 0 0 0 0 0 2 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 . 2 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 ANTIPARALLEL 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 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 0 A A 0 0 164 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.9 32.8 -21.7 3.1 2 1 A X - 0 0 120 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.619 360.0-115.7 -82.4 139.7 32.2 -18.0 3.0 3 2 A K > - 0 0 117 -2,-0.3 3,-1.4 1,-0.1 4,-0.4 -0.451 17.1-128.0 -67.3 144.1 29.1 -16.4 4.5 4 3 A V T 3 S+ 0 0 89 1,-0.3 4,-0.3 2,-0.1 -1,-0.1 0.662 111.1 51.0 -67.8 -16.5 26.7 -14.7 2.0 5 4 A T T 3> S+ 0 0 8 115,-0.2 4,-2.0 118,-0.1 -1,-0.3 0.408 82.6 93.9 -97.1 -2.9 26.8 -11.6 4.3 6 5 A Q H <> S+ 0 0 75 -3,-1.4 4,-2.2 1,-0.2 5,-0.2 0.935 85.0 48.0 -63.3 -47.3 30.7 -11.4 4.5 7 6 A L H > S+ 0 0 115 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.898 110.9 51.9 -61.0 -38.2 31.2 -8.9 1.6 8 7 A S H > S+ 0 0 47 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.887 108.9 52.7 -60.7 -38.6 28.3 -6.7 3.1 9 8 A S H X S+ 0 0 10 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.889 108.9 47.2 -63.3 -43.5 30.1 -6.7 6.4 10 9 A E H X S+ 0 0 87 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.852 110.2 54.8 -68.4 -31.7 33.4 -5.6 4.8 11 10 A T H X S+ 0 0 65 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.892 105.3 51.8 -67.3 -43.1 31.5 -2.9 2.9 12 11 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.890 103.1 60.2 -57.3 -39.1 30.1 -1.6 6.3 13 12 A D H X S+ 0 0 37 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.883 101.4 53.5 -58.5 -37.4 33.7 -1.4 7.6 14 13 A R H X S+ 0 0 161 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.904 108.8 48.6 -65.2 -40.4 34.6 1.0 4.8 15 14 A A H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.942 112.4 49.5 -59.0 -47.2 31.6 3.3 5.9 16 15 A H H X S+ 0 0 41 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.936 112.1 47.1 -58.4 -51.6 32.8 3.1 9.5 17 16 A E H X S+ 0 0 107 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.879 110.4 53.2 -57.7 -42.3 36.4 3.9 8.6 18 17 A R H X S+ 0 0 86 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.927 107.8 49.6 -63.9 -44.6 35.3 6.9 6.4 19 18 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.928 112.8 48.3 -58.4 -46.6 33.2 8.4 9.2 20 19 A E H X S+ 0 0 56 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.901 110.4 50.1 -62.4 -41.4 36.2 8.1 11.6 21 20 A E H < S+ 0 0 130 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.858 113.9 46.6 -65.1 -37.3 38.7 9.6 9.1 22 21 A T H >< S+ 0 0 1 -4,-2.0 3,-1.7 -5,-0.2 4,-0.2 0.956 111.9 48.9 -67.6 -51.2 36.4 12.6 8.6 23 22 A L H >< S+ 0 0 4 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.847 101.4 64.9 -56.7 -39.1 35.7 13.2 12.3 24 23 A A T 3< S+ 0 0 77 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.691 98.5 55.5 -57.8 -22.4 39.4 13.1 13.1 25 24 A Q T < S+ 0 0 73 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.3 0.501 102.7 71.0 -88.8 -1.7 39.8 16.3 11.0 26 25 A X S < S- 0 0 6 -3,-1.9 2,-0.1 -4,-0.2 76,-0.1 -0.829 71.8-129.6-121.0 151.2 37.3 18.3 12.9 27 26 A T > - 0 0 74 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.455 42.0-107.0 -76.4 163.9 36.8 20.0 16.3 28 27 A V H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 71,-0.2 0.889 122.3 56.0 -63.4 -37.4 33.5 19.1 18.0 29 28 A A H 4 S+ 0 0 65 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.921 110.2 45.4 -59.1 -41.7 32.1 22.6 17.2 30 29 A E H >4 S+ 0 0 66 1,-0.2 3,-1.5 2,-0.2 12,-0.3 0.911 110.6 52.8 -65.8 -45.0 32.9 21.9 13.5 31 30 A A H 3< S+ 0 0 0 -4,-2.4 12,-2.9 1,-0.3 11,-0.4 0.823 108.7 51.5 -59.4 -36.5 31.3 18.4 13.6 32 31 A N T 3< S+ 0 0 38 -4,-2.0 2,-0.5 10,-0.2 -1,-0.3 0.452 88.6 108.0 -76.2 -5.4 28.2 20.0 15.1 33 32 A T < - 0 0 63 -3,-1.5 9,-0.4 -4,-0.2 10,-0.1 -0.661 53.4-160.7 -86.9 123.6 27.9 22.6 12.3 34 33 A X - 0 0 45 -2,-0.5 6,-0.1 7,-0.2 7,-0.1 -0.893 5.3-159.0-101.4 114.1 25.2 22.2 9.8 35 34 A P + 0 0 51 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.630 68.5 0.5 -71.4 -10.6 26.2 24.3 6.7 36 35 A A B > S-A 39 0A 37 3,-1.0 3,-1.4 1,-0.1 5,-0.0 -0.975 81.2 -92.6-168.1 158.8 22.7 24.7 5.2 37 36 A P T 3 S+ 0 0 88 0, 0.0 57,-0.1 0, 0.0 -1,-0.1 0.811 126.3 32.1 -48.1 -35.4 19.0 23.7 5.8 38 37 A L T 3 S+ 0 0 149 2,-0.1 2,-0.6 1,-0.1 -4,-0.0 0.291 102.6 84.7-109.9 3.9 19.3 20.5 3.7 39 38 A I B < S-A 36 0A 65 -3,-1.4 -3,-1.0 124,-0.0 2,-0.1 -0.949 73.6-144.4-110.8 107.0 23.0 19.7 4.4 40 39 A K - 0 0 37 -2,-0.6 -7,-0.1 -6,-0.1 -2,-0.1 -0.338 17.3-108.9 -68.2 147.7 23.3 17.7 7.7 41 40 A S > - 0 0 2 -9,-0.2 4,-2.4 53,-0.1 -7,-0.2 -0.339 27.3-113.6 -65.1 158.0 26.2 18.2 10.2 42 41 A V H > S+ 0 0 0 -9,-0.4 4,-2.6 -11,-0.4 5,-0.3 0.902 120.7 56.2 -61.1 -38.5 28.8 15.4 10.5 43 42 A T H > S+ 0 0 0 -12,-2.9 4,-2.6 1,-0.2 5,-0.3 0.951 109.0 45.4 -58.3 -48.2 27.5 14.9 14.0 44 43 A W H > S+ 0 0 23 -13,-0.4 4,-3.0 53,-0.2 -2,-0.2 0.924 113.4 50.5 -59.8 -45.0 23.9 14.4 12.7 45 44 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.898 114.3 42.6 -61.8 -44.1 25.2 12.0 9.9 46 45 A X H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.912 116.6 46.9 -71.1 -43.6 27.2 9.8 12.3 47 46 A W H X S+ 0 0 12 -4,-2.6 4,-3.1 -5,-0.3 -2,-0.2 0.943 114.3 48.9 -60.2 -45.8 24.5 9.8 15.0 48 47 A H H X S+ 0 0 27 -4,-3.0 4,-2.6 -5,-0.3 -2,-0.2 0.898 111.0 48.9 -63.4 -42.3 21.9 9.0 12.4 49 48 A T H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.931 115.1 44.2 -62.2 -48.1 23.9 6.2 10.8 50 49 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.919 115.7 49.8 -61.1 -42.7 24.6 4.6 14.3 51 50 A R H X S+ 0 0 30 -4,-3.1 4,-3.0 -5,-0.2 5,-0.2 0.887 110.9 47.4 -65.5 -40.2 20.9 5.1 15.2 52 51 A E H X S+ 0 0 38 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.876 113.2 47.0 -74.1 -40.8 19.5 3.6 12.0 53 52 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 5,-0.4 0.932 115.8 48.2 -56.4 -52.5 21.8 0.4 12.2 54 53 A D H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.986 115.6 41.8 -50.8 -64.1 20.8 0.1 15.8 55 54 A L H X S+ 0 0 44 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.891 119.0 43.8 -56.1 -44.7 17.1 0.5 15.3 56 55 A Q H X S+ 0 0 44 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.917 118.3 41.5 -71.9 -44.0 16.8 -1.7 12.2 57 56 A I H X S+ 0 0 1 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.889 114.5 52.4 -70.4 -39.0 19.1 -4.5 13.3 58 57 A S H <>S+ 0 0 1 -4,-3.0 5,-2.5 -5,-0.4 -2,-0.2 0.901 109.2 50.8 -64.4 -38.7 17.5 -4.5 16.8 59 58 A A H ><5S+ 0 0 63 -4,-2.0 3,-1.1 -5,-0.3 -2,-0.2 0.898 111.2 47.1 -62.2 -44.2 14.0 -4.7 15.2 60 59 A L H 3<5S+ 0 0 12 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.789 115.0 48.3 -62.6 -28.8 15.1 -7.8 13.1 61 60 A N T 3<5S- 0 0 82 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.308 107.8-127.8 -94.4 4.4 16.6 -9.2 16.3 62 61 A H T < 5 + 0 0 174 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.738 68.8 126.9 50.8 29.0 13.5 -8.6 18.3 63 62 A S S > - 0 0 21 0, 0.0 4,-3.0 0, 0.0 3,-1.2 -0.311 21.5-121.8 -66.0 151.4 17.8 -0.9 20.6 66 65 A L H 3> S+ 0 0 17 1,-0.3 4,-2.7 2,-0.2 6,-1.0 0.799 107.7 76.3 -61.3 -31.1 21.1 -0.0 22.2 67 66 A W H 34 S+ 0 0 4 1,-0.2 6,-2.8 4,-0.2 7,-0.3 0.859 117.1 17.5 -42.8 -45.3 20.1 3.6 22.2 68 67 A L H X4 S+ 0 0 75 -3,-1.2 3,-1.2 3,-0.2 -2,-0.2 0.851 126.1 53.5 -91.1 -55.3 17.9 2.6 25.2 69 68 A S H 3< S+ 0 0 63 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.792 121.1 32.4 -61.4 -31.7 19.3 -0.7 26.4 70 69 A Q T 3< S- 0 0 99 -4,-2.7 -1,-0.3 -5,-0.2 -3,-0.1 0.301 112.0-119.8-103.4 5.5 22.9 0.7 26.7 71 70 A H X> + 0 0 105 -3,-1.2 4,-1.0 -5,-0.3 3,-0.7 0.746 62.1 146.8 64.2 30.7 21.7 4.2 27.7 72 71 A W H 3> + 0 0 36 -6,-1.0 4,-2.3 1,-0.2 3,-0.4 0.871 66.6 68.4 -61.2 -33.9 23.2 6.1 24.8 73 72 A T H 3> S+ 0 0 25 -6,-2.8 4,-2.0 1,-0.2 5,-0.5 0.865 99.5 48.7 -53.4 -38.3 20.2 8.4 24.9 74 73 A E H <4 S+ 0 0 113 -3,-0.7 -1,-0.2 -7,-0.3 -2,-0.2 0.811 110.5 50.5 -71.5 -31.0 21.4 9.7 28.4 75 74 A K H < S+ 0 0 144 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.864 115.9 41.3 -72.1 -38.7 25.0 10.3 27.1 76 75 A F H < S- 0 0 12 -4,-2.3 -2,-0.2 23,-0.1 -1,-0.2 0.856 84.4-167.7 -75.1 -39.5 23.8 12.2 24.1 77 76 A A < - 0 0 67 -4,-2.0 -3,-0.1 -5,-0.3 -4,-0.1 0.880 16.9-169.5 46.3 50.4 21.1 14.1 26.1 78 77 A L - 0 0 11 -5,-0.5 2,-1.3 1,-0.1 -1,-0.1 -0.352 32.1-125.8 -67.8 142.8 19.4 15.4 22.9 79 78 A D S S+ 0 0 37 17,-0.6 -1,-0.1 14,-0.1 18,-0.1 -0.290 85.2 97.3 -81.2 52.4 16.7 18.1 23.1 80 79 A L S S- 0 0 16 -2,-1.3 2,-0.1 16,-0.1 -2,-0.1 -0.995 78.9-113.1-139.1 140.1 14.5 15.7 21.1 81 80 A P - 0 0 15 0, 0.0 2,-0.6 0, 0.0 222,-0.1 -0.426 19.8-126.8 -74.8 146.9 11.9 13.3 22.5 82 81 A D - 0 0 65 220,-0.2 2,-0.3 -2,-0.1 220,-0.1 -0.877 42.4-179.1 -86.8 122.5 12.3 9.5 22.3 83 82 A E - 0 0 42 -2,-0.6 4,-0.0 2,-0.1 215,-0.0 -0.823 42.1-108.1-125.2 161.0 9.1 8.4 20.7 84 83 A T S S+ 0 0 100 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.941 105.4 39.2 -51.5 -53.5 7.5 5.1 19.7 85 84 A E S S- 0 0 142 -3,-0.0 -2,-0.1 1,-0.0 2,-0.1 -0.739 83.8-123.9-105.2 144.8 8.1 5.8 15.9 86 85 A D - 0 0 83 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.0 -0.489 33.3-165.7 -78.4 154.8 11.1 7.4 14.2 87 86 A W - 0 0 47 -2,-0.1 2,-0.6 -4,-0.0 146,-0.1 -0.886 29.1 -90.6-138.3 169.1 10.3 10.4 12.1 88 87 A H - 0 0 159 -2,-0.3 2,-0.1 145,-0.1 -2,-0.0 -0.736 49.7-123.7 -84.1 117.6 11.9 12.6 9.4 89 88 A H - 0 0 9 -2,-0.6 -1,-0.0 4,-0.1 145,-0.0 -0.387 13.1-134.1 -63.9 134.6 13.7 15.5 11.1 90 89 A T > - 0 0 23 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.406 33.9-104.0 -67.9 158.6 12.9 19.1 10.3 91 90 A P H > S+ 0 0 44 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.874 124.7 51.3 -53.9 -38.2 16.0 21.3 9.7 92 91 A E H 4 S+ 0 0 126 2,-0.2 4,-0.3 1,-0.2 -3,-0.0 0.861 110.9 47.1 -72.4 -33.8 15.4 22.8 13.1 93 92 A E H >4 S+ 0 0 21 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.886 109.2 55.0 -68.7 -40.7 15.2 19.4 14.8 94 93 A A H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.842 99.5 60.7 -62.0 -37.4 18.3 18.2 13.0 95 94 A A T 3< S+ 0 0 54 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.650 95.6 64.5 -63.4 -16.6 20.3 21.2 14.3 96 95 A K T < S+ 0 0 94 -3,-1.3 2,-1.4 -4,-0.3 -17,-0.6 0.504 75.1 94.4 -85.6 -7.1 19.6 19.9 17.8 97 96 A V < + 0 0 0 -3,-1.7 2,-0.3 -4,-0.2 -53,-0.2 -0.741 58.3 135.0 -86.5 93.2 21.6 16.8 17.2 98 97 A V - 0 0 60 -2,-1.4 2,-0.3 -22,-0.2 -69,-0.1 -0.952 40.0-147.2-137.1 153.7 24.8 18.0 18.7 99 98 A V - 0 0 10 -2,-0.3 3,-0.1 -71,-0.2 -67,-0.1 -0.906 18.2-137.5-125.7 155.4 27.4 16.4 21.1 100 99 A A S S+ 0 0 85 -2,-0.3 2,-0.3 1,-0.2 -72,-0.1 0.814 93.1 17.8 -76.5 -33.5 29.7 17.7 23.8 101 100 A E >> - 0 0 136 1,-0.1 3,-1.1 -73,-0.1 4,-0.5 -0.999 68.8-130.1-143.2 144.5 32.6 15.5 22.6 102 101 A K H >> S+ 0 0 57 -2,-0.3 4,-1.5 1,-0.2 3,-1.1 0.835 99.6 72.9 -60.0 -37.1 33.5 13.7 19.4 103 102 A Q H 3> S+ 0 0 115 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.818 88.4 62.2 -50.0 -35.8 34.3 10.4 21.2 104 103 A L H <> S+ 0 0 27 -3,-1.1 4,-2.5 1,-0.2 -1,-0.3 0.897 103.0 48.8 -59.7 -41.5 30.6 9.8 21.9 105 104 A L H X S+ 0 0 18 -4,-2.4 4,-2.2 1,-0.2 3,-1.0 0.945 112.4 50.0 -63.1 -46.5 23.7 -10.1 13.2 120 119 A L H 3< S+ 0 0 4 -4,-2.8 -115,-0.2 1,-0.3 -1,-0.2 0.839 109.7 51.6 -60.4 -37.9 25.2 -10.6 9.8 121 120 A D H 3< S+ 0 0 74 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.683 117.2 38.6 -72.3 -20.3 27.5 -13.3 11.1 122 121 A Q H << S+ 0 0 129 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.628 85.4 107.7-108.9 -17.5 24.6 -15.2 12.7 123 122 A I < - 0 0 18 -4,-2.2 2,-0.3 -5,-0.1 -118,-0.1 -0.404 66.6-132.1 -61.9 133.3 21.8 -14.8 10.2 124 123 A K >> - 0 0 126 1,-0.1 3,-1.3 -2,-0.1 4,-0.5 -0.682 14.7-123.0 -85.8 145.2 21.1 -18.1 8.3 125 124 A E G >4 S+ 0 0 124 -2,-0.3 3,-0.8 1,-0.3 4,-0.3 0.786 110.6 59.6 -62.3 -30.7 20.8 -17.9 4.5 126 125 A E G >4 S+ 0 0 140 1,-0.2 3,-0.7 2,-0.1 -1,-0.3 0.789 99.0 59.7 -66.8 -28.2 17.3 -19.5 4.6 127 126 A Q G X4 S+ 0 0 62 -3,-1.3 3,-1.5 1,-0.2 15,-0.3 0.662 84.5 79.4 -73.8 -19.0 16.1 -16.6 6.8 128 127 A L G << S+ 0 0 16 -3,-0.8 15,-1.9 -4,-0.5 16,-0.3 0.787 89.3 53.9 -64.6 -26.5 17.0 -13.9 4.2 129 128 A S G < S+ 0 0 89 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.491 80.6 123.7 -84.1 -4.7 13.8 -14.6 2.1 130 129 A D < - 0 0 65 -3,-1.5 12,-1.9 -4,-0.1 2,-0.5 -0.387 65.0-125.5 -60.2 130.9 11.6 -14.1 5.2 131 130 A V E +B 141 0B 83 10,-0.2 10,-0.3 1,-0.2 3,-0.2 -0.646 32.2 173.0 -75.9 119.8 8.9 -11.4 4.7 132 131 A I E S+ 0 0 60 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.670 74.3 25.5-102.6 -21.1 9.2 -8.8 7.5 133 132 A D E +B 140 0B 51 7,-2.1 7,-2.5 1,-0.1 3,-0.4 -0.811 58.1 179.3-144.9 107.2 6.6 -6.3 6.1 134 133 A K + 0 0 165 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.632 66.7 85.5 -79.6 -13.3 3.9 -7.5 3.8 135 134 A N S S+ 0 0 137 5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.013 79.7 72.3 -89.2 32.0 2.2 -4.1 3.4 136 135 A W S S- 0 0 156 -3,-0.4 4,-0.1 -2,-0.4 -3,-0.0 -0.904 90.1 -94.5-132.2 159.3 4.5 -3.0 0.5 137 136 A T S S+ 0 0 150 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.0 -0.986 118.6 18.9-118.6 114.9 4.7 -4.0 -3.1 138 137 A P S S- 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.746 113.6-107.2 -81.4 169.1 6.7 -6.1 -3.3 139 138 A P - 0 0 62 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.115 31.0-111.0 -54.6 151.5 6.9 -7.2 0.3 140 139 A V E -B 133 0B 16 -7,-2.5 -8,-2.6 4,-0.1 -7,-2.1 -0.798 38.1-167.7 -86.3 126.4 9.9 -6.2 2.4 141 140 A T E > -B 131 0B 29 -2,-0.6 4,-2.0 -10,-0.3 -10,-0.2 -0.589 38.4-101.3-104.4 170.2 12.1 -9.2 3.2 142 141 A R H > S+ 0 0 27 -12,-1.9 4,-2.4 -15,-0.3 5,-0.2 0.901 123.2 54.6 -54.8 -42.1 15.0 -9.5 5.7 143 142 A Q H > S+ 0 0 102 -15,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.908 105.7 49.8 -62.2 -45.8 17.4 -9.3 2.7 144 143 A V H > S+ 0 0 71 -16,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.905 111.8 49.3 -60.3 -40.9 15.9 -6.0 1.5 145 144 A R H X S+ 0 0 58 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.913 110.9 49.4 -69.2 -41.8 16.1 -4.5 5.0 146 145 A L H X S+ 0 0 14 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.883 112.0 47.8 -61.6 -44.1 19.8 -5.6 5.4 147 146 A V H X S+ 0 0 89 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.893 111.2 51.9 -64.1 -40.9 20.8 -4.1 2.0 148 147 A S H X S+ 0 0 60 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.896 108.8 51.1 -60.6 -42.0 19.0 -0.9 2.9 149 148 A A H X S+ 0 0 5 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.920 113.3 43.2 -66.0 -41.4 20.9 -0.7 6.2 150 149 A I H X S+ 0 0 17 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.937 114.4 51.3 -68.5 -45.0 24.3 -1.1 4.5 151 150 A D H X S+ 0 0 106 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.899 109.8 50.6 -54.9 -46.4 23.3 1.3 1.6 152 151 A D H X S+ 0 0 27 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.914 111.5 46.5 -59.4 -49.8 22.3 3.9 4.2 153 152 A A H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.935 116.3 43.8 -61.8 -48.4 25.5 3.8 6.2 154 153 A V H X S+ 0 0 43 -4,-2.5 4,-1.6 1,-0.2 3,-0.2 0.939 114.3 48.9 -65.9 -47.1 27.8 3.9 3.1 155 154 A X H X S+ 0 0 91 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.898 110.6 51.0 -61.9 -41.0 25.9 6.6 1.4 156 155 A H H X S+ 0 0 22 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.841 103.5 59.3 -62.5 -31.5 25.8 8.8 4.6 157 156 A S H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.901 105.5 49.9 -65.9 -36.6 29.6 8.3 4.9 158 157 A G H X S+ 0 0 34 -4,-1.6 4,-1.3 1,-0.2 3,-0.3 0.912 108.7 51.3 -64.0 -44.1 30.0 9.9 1.5 159 158 A Q H X S+ 0 0 83 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.876 102.9 60.5 -61.8 -36.7 27.7 12.8 2.5 160 159 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.873 100.3 55.0 -59.7 -36.8 29.9 13.4 5.6 161 160 A V H X S+ 0 0 22 -4,-1.2 4,-2.2 -3,-0.3 -1,-0.2 0.914 109.5 47.4 -59.3 -44.0 32.9 14.0 3.4 162 161 A Y H X S+ 0 0 153 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.910 110.4 49.8 -65.6 -47.2 31.0 16.7 1.6 163 162 A T H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.912 110.3 52.7 -57.6 -43.1 29.7 18.4 4.8 164 163 A R H X S+ 0 0 21 -4,-2.2 4,-3.2 -5,-0.2 6,-0.5 0.942 108.7 49.7 -56.1 -49.0 33.3 18.4 6.1 165 164 A R H X S+ 0 0 125 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.893 113.1 46.5 -57.9 -41.3 34.5 20.1 2.9 166 165 A L H < S+ 0 0 111 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.841 118.2 42.1 -69.6 -32.3 31.8 22.7 3.2 167 166 A V H < S+ 0 0 37 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.903 131.7 18.0 -86.3 -43.0 32.5 23.3 6.9 168 167 A I H < S- 0 0 33 -4,-3.2 -3,-0.2 2,-0.3 -2,-0.2 0.365 96.6-120.9-113.1 2.6 36.3 23.3 7.0 169 168 A G < 0 0 67 -4,-1.5 -4,-0.2 -5,-0.4 -3,-0.1 0.652 360.0 360.0 70.4 16.7 37.3 23.9 3.4 170 169 A K 0 0 137 -6,-0.5 -2,-0.3 0, 0.0 -1,-0.1 -0.991 360.0 360.0-157.5 360.0 39.2 20.7 3.0 171 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 172 0 B A 0 0 160 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.1 -14.0 4.2 26.0 173 1 B X - 0 0 139 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.669 360.0-109.8 -81.0 142.7 -13.9 8.1 26.0 174 2 B K > - 0 0 105 -2,-0.3 3,-1.5 1,-0.1 4,-0.4 -0.428 14.9-126.2 -71.7 144.7 -10.5 9.5 25.1 175 3 B V T 3 S+ 0 0 92 1,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.681 112.6 53.7 -63.3 -14.5 -8.5 11.3 27.9 176 4 B T T 3> S+ 0 0 15 115,-0.2 4,-1.9 118,-0.1 -1,-0.3 0.488 80.9 93.5 -96.7 -5.3 -8.4 14.3 25.5 177 5 B Q H <> S+ 0 0 79 -3,-1.5 4,-1.8 1,-0.2 5,-0.2 0.906 84.9 46.3 -58.1 -50.4 -12.2 14.6 24.8 178 6 B L H > S+ 0 0 113 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.861 111.2 54.4 -64.0 -33.5 -13.0 17.2 27.5 179 7 B S H > S+ 0 0 43 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 107.0 50.9 -63.7 -42.1 -10.0 19.3 26.4 180 8 B S H X S+ 0 0 18 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.859 110.2 48.2 -61.1 -43.8 -11.2 19.3 22.9 181 9 B E H X S+ 0 0 78 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.829 109.6 54.4 -68.0 -33.2 -14.7 20.5 23.9 182 10 B T H X S+ 0 0 62 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.889 107.2 50.0 -64.7 -41.5 -13.0 23.2 26.1 183 11 B L H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.897 104.5 58.7 -64.2 -40.7 -11.1 24.5 23.0 184 12 B D H X S+ 0 0 45 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.845 102.7 54.0 -57.4 -36.5 -14.4 24.6 21.1 185 13 B R H X S+ 0 0 146 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.882 108.7 47.7 -61.6 -42.4 -15.8 27.0 23.7 186 14 B A H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.901 112.0 50.2 -64.9 -42.3 -12.8 29.3 23.2 187 15 B H H X S+ 0 0 41 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.946 112.0 46.7 -63.0 -49.5 -13.3 29.1 19.4 188 16 B E H X S+ 0 0 101 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.904 110.5 54.3 -55.2 -46.9 -17.0 29.9 19.6 189 17 B R H X S+ 0 0 90 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.914 108.7 48.3 -60.4 -42.1 -16.3 32.8 22.0 190 18 B F H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.954 112.9 46.6 -60.2 -51.4 -13.8 34.4 19.5 191 19 B E H X S+ 0 0 63 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.907 110.4 53.4 -58.8 -42.1 -16.1 34.1 16.6 192 20 B E H < S+ 0 0 125 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.860 112.5 44.7 -64.4 -37.0 -19.1 35.5 18.6 193 21 B T H >< S+ 0 0 3 -4,-1.7 3,-1.3 -5,-0.2 -2,-0.2 0.922 112.6 49.8 -70.0 -47.5 -17.0 38.6 19.6 194 22 B L H >< S+ 0 0 4 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.858 102.2 63.1 -60.5 -37.0 -15.5 39.2 16.1 195 23 B A T 3< S+ 0 0 75 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.707 99.7 55.2 -59.5 -23.2 -19.1 39.0 14.6 196 24 B Q T < S+ 0 0 73 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.3 0.470 102.2 73.3 -89.4 -0.4 -20.0 42.1 16.6 197 25 B X S < S- 0 0 7 -3,-1.8 2,-0.1 -4,-0.2 138,-0.0 -0.857 72.4-127.7-122.8 148.5 -17.1 44.2 15.2 198 26 B T > - 0 0 74 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.413 41.9-107.5 -73.8 165.1 -16.1 46.1 12.1 199 27 B V H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 71,-0.2 0.907 122.8 52.3 -68.5 -37.0 -12.5 45.2 10.9 200 28 B A H 4 S+ 0 0 63 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.879 111.4 47.5 -60.5 -40.3 -11.2 48.6 12.0 201 29 B E H >4 S+ 0 0 64 2,-0.2 3,-1.7 1,-0.2 12,-0.3 0.935 110.1 51.7 -64.3 -46.5 -12.8 47.9 15.5 202 30 B A H 3< S+ 0 0 0 -4,-2.7 12,-2.5 1,-0.3 11,-0.5 0.868 110.7 49.8 -58.9 -36.4 -11.2 44.4 15.5 203 31 B N T 3< S+ 0 0 37 -4,-2.3 2,-0.4 10,-0.2 -1,-0.3 0.501 91.0 106.4 -77.0 -5.6 -7.8 46.0 14.7 204 32 B T < - 0 0 62 -3,-1.7 9,-0.4 -4,-0.3 10,-0.1 -0.615 53.6-158.6 -88.4 129.4 -8.1 48.6 17.5 205 33 B X - 0 0 51 -2,-0.4 6,-0.1 7,-0.2 7,-0.1 -0.934 4.5-158.0-102.3 125.4 -6.1 48.4 20.7 206 34 B P S S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.653 74.0 1.8 -75.9 -19.8 -7.7 50.4 23.5 207 35 B A B > S-C 210 0C 40 3,-0.9 3,-1.2 1,-0.0 0, 0.0 -0.955 81.7 -96.1-159.7 164.1 -4.5 50.8 25.6 208 36 B P T 3 S+ 0 0 90 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.793 123.9 36.0 -56.4 -36.0 -0.7 49.8 25.3 209 37 B L T 3 S+ 0 0 154 2,-0.1 2,-0.6 1,-0.1 -4,-0.0 0.314 103.1 83.2 -99.1 2.7 -1.1 46.6 27.4 210 38 B I B < S-C 207 0C 64 -3,-1.2 -3,-0.9 124,-0.0 2,-0.1 -0.944 74.8-145.2-111.1 113.4 -4.5 45.7 26.1 211 39 B K - 0 0 52 -2,-0.6 -7,-0.1 -6,-0.1 -2,-0.1 -0.335 16.3-106.3 -80.9 155.3 -4.3 43.9 22.8 212 40 B S > - 0 0 2 -9,-0.2 4,-2.7 53,-0.1 5,-0.2 -0.316 26.9-113.9 -71.3 159.2 -6.7 44.1 19.9 213 41 B V H > S+ 0 0 0 -11,-0.5 4,-2.8 -9,-0.4 5,-0.3 0.919 120.3 54.6 -60.9 -39.4 -9.2 41.3 19.0 214 42 B T H > S+ 0 0 0 -12,-2.5 4,-2.6 1,-0.2 5,-0.2 0.926 109.8 45.7 -56.6 -49.0 -7.2 40.9 15.8 215 43 B W H > S+ 0 0 9 -13,-0.3 4,-3.0 1,-0.2 5,-0.2 0.923 113.1 50.4 -60.3 -46.0 -4.0 40.4 17.8 216 44 B L H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.888 114.3 43.2 -63.8 -39.8 -5.7 38.0 20.2 217 45 B X H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.916 116.1 47.0 -72.6 -44.6 -7.2 35.8 17.5 218 46 B W H X S+ 0 0 1 -4,-2.6 4,-3.0 -5,-0.3 -2,-0.2 0.920 113.6 49.4 -57.3 -47.4 -4.0 35.8 15.4 219 47 B H H X S+ 0 0 5 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.891 111.4 48.5 -62.3 -40.9 -1.9 35.0 18.5 220 48 B T H X S+ 0 0 2 -4,-1.8 4,-2.0 -5,-0.2 5,-0.2 0.924 113.9 45.3 -68.3 -44.4 -4.2 32.2 19.5 221 49 B A H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.931 115.0 50.2 -58.9 -45.4 -4.2 30.6 16.0 222 50 B R H X S+ 0 0 2 -4,-3.0 4,-3.0 -5,-0.2 5,-0.3 0.915 110.0 48.0 -62.7 -46.2 -0.4 31.1 15.9 223 51 B E H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.904 114.8 46.0 -64.4 -41.3 0.3 29.5 19.3 224 52 B L H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 5,-0.4 0.950 116.3 45.8 -63.6 -48.1 -1.9 26.4 18.5 225 53 B D H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.953 116.0 43.5 -62.3 -53.1 -0.4 26.0 15.1 226 54 B L H X S+ 0 0 41 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.924 118.7 42.3 -64.2 -41.7 3.2 26.4 16.1 227 55 B Q H X S+ 0 0 47 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.859 118.5 43.3 -79.7 -35.1 3.1 24.2 19.2 228 56 B I H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.888 113.3 52.3 -71.6 -42.8 0.9 21.4 17.7 229 57 B S H <>S+ 0 0 2 -4,-2.6 5,-2.5 -5,-0.4 4,-0.4 0.901 108.8 51.6 -59.1 -40.2 3.0 21.5 14.5 230 58 B A H ><5S+ 0 0 58 -4,-1.9 3,-1.5 -5,-0.3 -1,-0.2 0.943 110.8 46.9 -61.5 -46.2 6.1 21.1 16.6 231 59 B L H 3<5S+ 0 0 12 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.868 113.7 50.0 -61.1 -33.7 4.6 18.1 18.5 232 60 B N T 3<5S- 0 0 71 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.452 108.6-126.5 -84.4 -2.8 3.6 16.7 15.1 233 61 B H T < 5S+ 0 0 34 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.803 70.1 123.1 57.8 31.3 7.1 17.2 13.6 234 62 B S S > - 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