==== 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 02-SEP-08 3ED5 . COMPND 2 MOLECULE: YFNB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR K.TAN,R.WU,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 232 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.9 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 0 1 1 0 0 2 1 0 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 4 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 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 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 1 A X 0 0 216 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.1 -10.6 26.1 -24.1 2 2 A K - 0 0 91 1,-0.0 2,-0.5 172,-0.0 173,-0.1 -0.296 360.0-169.1 -51.8 124.9 -8.4 28.4 -22.0 3 3 A R - 0 0 116 -2,-0.0 2,-0.1 173,-0.0 224,-0.1 -0.970 14.9-140.9-118.7 114.8 -4.9 27.0 -21.1 4 4 A Y - 0 0 12 -2,-0.5 172,-0.2 1,-0.1 3,-0.1 -0.421 19.4-179.4 -68.9 150.5 -2.9 29.0 -18.6 5 5 A R + 0 0 128 170,-3.4 112,-2.8 1,-0.3 2,-0.4 0.637 64.8 49.0-115.6 -27.1 0.8 29.2 -19.3 6 6 A T E -ab 117 176A 9 169,-2.2 171,-2.2 110,-0.2 2,-0.5 -0.976 61.3-166.7-128.1 124.2 2.1 31.2 -16.4 7 7 A L E -ab 118 177A 0 110,-2.9 112,-2.5 -2,-0.4 2,-0.6 -0.955 4.2-161.5-115.6 126.8 1.3 30.7 -12.7 8 8 A L E -ab 119 178A 0 169,-3.1 171,-2.9 -2,-0.5 2,-0.5 -0.943 14.4-163.7-106.9 119.5 2.1 33.3 -10.1 9 9 A F E -ab 120 179A 0 110,-3.0 112,-2.3 -2,-0.6 171,-0.2 -0.898 14.8-142.9-110.3 130.9 2.2 31.9 -6.5 10 10 A D - 0 0 13 169,-2.5 5,-0.2 -2,-0.5 112,-0.2 -0.405 17.6-146.6 -66.8 160.7 2.1 33.7 -3.2 11 11 A V >>> + 0 0 0 110,-0.3 5,-2.3 3,-0.2 4,-2.1 0.889 67.2 73.9 -97.3 -64.9 4.4 32.1 -0.6 12 12 A D B 345S-f 16 0B 28 1,-0.3 169,-0.3 2,-0.2 5,-0.2 -0.397 119.9 -11.5 -75.2 123.5 3.0 32.4 2.9 13 13 A D T 345S+ 0 0 30 3,-2.6 -1,-0.3 -2,-0.3 4,-0.1 0.636 128.3 75.9 61.6 22.4 0.1 30.2 3.7 14 14 A T T <45S- 0 0 1 -3,-1.9 -2,-0.2 2,-0.4 -3,-0.2 0.657 124.0 -12.2-116.3 -57.6 -0.2 29.4 -0.0 15 15 A I T <5S+ 0 0 0 -4,-2.1 87,-2.2 -5,-0.2 2,-0.4 0.639 134.4 53.2-116.0 -26.0 2.8 26.9 -0.5 16 16 A L B + 0 0 50 83,-2.6 4,-1.7 -2,-0.4 83,-0.3 -0.646 39.0 170.3 -88.0 85.5 2.9 26.9 6.2 18 18 A F H > S+ 0 0 28 -2,-1.6 4,-3.4 1,-0.2 5,-0.3 0.867 72.5 63.0 -67.3 -35.1 3.6 30.4 7.5 19 19 A Q H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 105.9 45.7 -53.6 -45.4 1.2 29.9 10.4 20 20 A A H > S+ 0 0 29 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.905 113.8 47.6 -62.7 -46.9 3.4 27.1 11.6 21 21 A A H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.916 114.6 47.5 -60.0 -45.0 6.6 29.2 11.1 22 22 A E H X S+ 0 0 8 -4,-3.4 4,-3.0 2,-0.2 5,-0.3 0.924 109.8 52.8 -62.3 -45.3 5.0 32.1 12.9 23 23 A A H X S+ 0 0 60 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.911 113.1 43.2 -60.4 -42.7 3.8 30.0 15.8 24 24 A L H X S+ 0 0 55 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.934 114.3 50.1 -66.9 -46.5 7.2 28.5 16.4 25 25 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.877 111.0 48.6 -64.1 -39.5 9.0 31.9 16.1 26 26 A L H X S+ 0 0 3 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.939 111.5 50.1 -64.0 -45.6 6.6 33.6 18.5 27 27 A R H X S+ 0 0 118 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.941 114.7 44.2 -56.5 -48.0 7.1 30.8 21.1 28 28 A L H X S+ 0 0 42 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.863 111.4 53.3 -69.1 -35.8 10.9 31.1 20.7 29 29 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.932 112.4 44.2 -61.6 -48.4 10.9 34.9 20.9 30 30 A F H <>S+ 0 0 7 -4,-2.6 5,-2.6 2,-0.2 4,-0.3 0.849 113.0 50.7 -69.5 -32.7 8.9 34.9 24.1 31 31 A E H ><5S+ 0 0 102 -4,-2.1 3,-1.2 -5,-0.3 -1,-0.2 0.923 108.7 53.3 -64.8 -44.6 11.0 32.2 25.6 32 32 A D H 3<5S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.901 115.0 40.5 -55.1 -42.2 14.1 34.2 24.7 33 33 A Q T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.406 107.8-126.3 -86.4 -3.0 12.6 37.2 26.5 34 34 A N T < 5 + 0 0 144 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.870 63.4 138.5 51.8 44.3 11.3 35.2 29.4 35 35 A I < - 0 0 16 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.979 59.0-117.8-116.6 126.7 7.8 36.6 29.0 36 36 A P - 0 0 91 0, 0.0 2,-0.9 0, 0.0 -5,-0.0 -0.415 22.1-141.1 -61.4 135.4 4.8 34.3 29.3 37 37 A L - 0 0 49 -10,-0.0 2,-0.0 4,-0.0 -6,-0.0 -0.839 25.9-167.1-102.0 90.0 2.9 34.2 25.9 38 38 A T > - 0 0 64 -2,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.281 33.7-112.0 -70.9 159.4 -0.7 34.2 27.0 39 39 A N H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 119.9 53.5 -54.5 -44.6 -3.6 33.4 24.7 40 40 A D H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 109.8 47.1 -59.0 -47.3 -4.8 37.1 25.0 41 41 A X H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.890 111.2 50.3 -61.4 -42.3 -1.3 38.3 24.0 42 42 A K H X S+ 0 0 73 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.898 111.4 49.0 -61.9 -43.3 -1.1 36.0 21.0 43 43 A A H X S+ 0 0 48 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.930 112.6 47.2 -62.9 -47.0 -4.5 37.1 19.8 44 44 A Q H X S+ 0 0 84 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.905 108.8 55.1 -64.1 -39.4 -3.6 40.8 20.2 45 45 A Y H X S+ 0 0 2 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.942 108.6 49.0 -54.2 -48.6 -0.3 40.2 18.3 46 46 A K H X S+ 0 0 89 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.916 113.4 45.3 -62.4 -39.0 -2.2 38.7 15.4 47 47 A T H X S+ 0 0 94 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.918 116.7 44.9 -69.4 -45.7 -4.7 41.6 15.3 48 48 A I H X S+ 0 0 37 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.941 114.6 48.3 -60.0 -50.0 -1.9 44.2 15.6 49 49 A N H X S+ 0 0 16 -4,-3.4 4,-2.8 -5,-0.3 5,-0.2 0.918 111.6 50.5 -60.7 -44.0 0.3 42.5 13.0 50 50 A Q H X S+ 0 0 115 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.921 110.8 48.7 -60.1 -45.9 -2.7 42.1 10.6 51 51 A G H X S+ 0 0 43 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.848 112.2 48.3 -63.0 -38.1 -3.6 45.8 10.9 52 52 A L H X S+ 0 0 29 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.939 111.9 48.3 -71.7 -45.0 0.0 47.0 10.3 53 53 A W H X S+ 0 0 48 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.905 111.0 52.2 -61.8 -38.7 0.5 44.7 7.2 54 54 A R H X S+ 0 0 53 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.928 106.8 52.2 -60.8 -42.8 -2.8 46.0 5.9 55 55 A A H <>S+ 0 0 16 -4,-1.9 5,-3.1 2,-0.2 6,-0.6 0.930 110.9 48.9 -59.8 -41.0 -1.5 49.6 6.3 56 56 A F H ><5S+ 0 0 11 -4,-2.4 3,-1.6 4,-0.2 -2,-0.2 0.939 109.7 50.3 -62.5 -47.6 1.6 48.6 4.4 57 57 A E H 3<5S+ 0 0 18 -4,-2.9 100,-0.3 1,-0.3 -1,-0.2 0.885 110.5 51.8 -55.2 -37.7 -0.5 47.0 1.6 58 58 A E T 3<5S- 0 0 81 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.469 118.9-111.7 -79.9 -6.1 -2.5 50.2 1.4 59 59 A G T < 5S+ 0 0 54 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.672 88.1 114.2 84.1 19.9 0.6 52.4 1.1 60 60 A K S - 0 0 87 -2,-0.3 4,-2.0 1,-0.1 3,-0.1 -0.590 29.6-119.5 -80.2 155.6 6.6 51.1 5.1 63 63 A R H > S+ 0 0 25 1,-0.2 4,-2.7 -2,-0.2 5,-0.3 0.875 114.7 58.6 -61.9 -37.1 7.3 47.4 5.7 64 64 A D H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 106.6 48.0 -57.6 -42.6 10.3 48.3 7.9 65 65 A E H > S+ 0 0 94 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.910 110.6 52.9 -65.6 -41.2 7.9 50.3 10.1 66 66 A V H >X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 3,-0.7 0.965 116.2 36.7 -54.5 -55.7 5.5 47.3 10.2 67 67 A V H 3< S+ 0 0 8 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.834 117.3 50.9 -77.2 -30.3 8.0 44.8 11.3 68 68 A N H 3< S+ 0 0 55 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.478 118.1 37.1 -85.6 -6.3 10.1 47.1 13.6 69 69 A T H S+ 0 0 0 -4,-0.5 4,-2.6 13,-0.3 -1,-0.2 0.837 115.7 47.8 -76.3 -30.2 6.5 43.8 18.9 72 72 A S H > S+ 0 0 22 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.904 110.7 52.5 -72.6 -38.8 7.0 47.1 20.7 73 73 A A H X S+ 0 0 42 -4,-3.2 4,-1.0 2,-0.2 -2,-0.2 0.923 115.8 42.1 -58.4 -43.6 3.3 48.0 20.1 74 74 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.3 3,-0.5 0.982 119.3 40.3 -67.5 -57.1 2.3 44.6 21.6 75 75 A L H ><>S+ 0 0 4 -4,-2.6 5,-2.4 1,-0.2 3,-0.7 0.863 108.2 61.5 -67.7 -33.1 4.7 44.5 24.6 76 76 A K H ><5S+ 0 0 134 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.894 102.2 51.0 -58.2 -37.4 4.3 48.2 25.5 77 77 A E H 3<5S+ 0 0 112 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.702 106.5 55.5 -79.2 -16.8 0.6 47.9 26.2 78 78 A Y T <<5S- 0 0 89 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.255 128.5-100.4 -93.4 11.3 1.4 44.9 28.5 79 79 A G T < 5S+ 0 0 56 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.582 80.4 129.8 88.5 10.8 3.7 47.2 30.4 80 80 A Y < - 0 0 93 -5,-2.4 2,-0.8 -6,-0.1 -1,-0.3 -0.857 55.3-136.4 -99.7 131.9 7.1 46.2 29.0 81 81 A E + 0 0 166 -2,-0.4 2,-0.4 2,-0.0 -9,-0.0 -0.799 40.8 177.4 -84.8 112.5 9.7 48.7 27.7 82 82 A A - 0 0 36 -2,-0.8 2,-0.9 -10,-0.1 3,-0.1 -0.925 38.7-131.5-129.5 138.8 10.8 46.9 24.5 83 83 A D > - 0 0 98 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 -0.816 22.1-161.4 -89.4 104.9 13.1 47.7 21.6 84 84 A G H > S+ 0 0 6 -2,-0.9 4,-2.1 1,-0.2 -13,-0.3 0.840 87.3 49.2 -62.4 -36.3 10.8 46.9 18.6 85 85 A A H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 112.2 47.4 -69.9 -40.2 13.8 46.6 16.2 86 86 A L H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.910 112.8 49.2 -65.1 -41.2 15.8 44.3 18.4 87 87 A L H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.914 111.3 50.2 -67.1 -39.3 12.7 42.1 19.1 88 88 A E H X S+ 0 0 10 -4,-2.1 4,-3.2 -5,-0.2 -1,-0.2 0.910 106.4 54.5 -65.4 -41.7 12.1 41.9 15.4 89 89 A Q H X S+ 0 0 134 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.912 112.4 44.3 -58.9 -41.0 15.7 40.9 14.6 90 90 A K H X S+ 0 0 64 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.935 115.3 47.1 -68.4 -45.8 15.3 38.0 17.1 91 91 A Y H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.910 108.1 57.7 -57.4 -44.4 11.9 37.0 15.8 92 92 A R H X S+ 0 0 34 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.866 102.7 52.6 -58.7 -43.8 13.2 37.2 12.2 93 93 A R H < S+ 0 0 134 -4,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.932 113.3 43.9 -59.6 -45.7 16.0 34.6 12.9 94 94 A F H >< S+ 0 0 21 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.888 111.8 52.6 -67.6 -39.9 13.5 32.1 14.3 95 95 A L H >< S+ 0 0 3 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.883 103.6 59.1 -60.7 -37.3 11.0 32.8 11.5 96 96 A E T 3< S+ 0 0 23 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.552 99.8 57.5 -73.4 -8.3 13.7 32.1 9.0 97 97 A E T < S+ 0 0 97 -3,-1.2 2,-0.7 -4,-0.3 -1,-0.3 0.388 88.1 87.6 -95.8 0.3 14.2 28.6 10.4 98 98 A G < + 0 0 1 -3,-1.8 -77,-0.1 -4,-0.2 34,-0.1 -0.899 38.1 150.8-103.0 110.7 10.6 27.7 9.8 99 99 A H + 0 0 69 -2,-0.7 -1,-0.1 36,-0.1 -81,-0.1 -0.128 17.9 157.5-131.3 33.2 10.1 26.2 6.2 100 100 A Q - 0 0 62 -83,-0.3 -83,-2.6 -84,-0.1 2,-0.3 -0.314 36.1-128.0 -53.9 142.6 7.1 23.9 6.9 101 101 A L B -G 16 0B 60 -85,-0.3 -85,-0.3 -84,-0.0 2,-0.2 -0.694 12.1-112.7 -97.9 147.9 5.1 23.1 3.7 102 102 A I > - 0 0 40 -87,-2.2 3,-2.5 -2,-0.3 4,-0.4 -0.547 60.1 -77.1 -63.6 145.0 1.4 23.4 3.0 103 103 A D T 3 S+ 0 0 149 1,-0.3 117,-0.5 -2,-0.2 118,-0.2 -0.213 116.3 0.1 -49.7 123.9 -0.1 19.9 2.5 104 104 A G T 3> S+ 0 0 47 116,-0.1 4,-2.5 -3,-0.1 -1,-0.3 0.402 93.4 125.6 77.1 -1.1 0.8 18.6 -1.0 105 105 A A H <> S+ 0 0 1 -3,-2.5 4,-2.9 1,-0.2 5,-0.3 0.888 70.3 48.7 -61.1 -42.8 2.8 21.7 -1.9 106 106 A F H > S+ 0 0 77 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.956 115.5 42.7 -65.0 -48.9 6.0 20.0 -2.9 107 107 A D H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 115.9 50.6 -63.2 -40.7 4.4 17.4 -5.1 108 108 A L H X S+ 0 0 2 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.971 112.8 44.0 -60.2 -56.3 2.0 20.0 -6.7 109 109 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.908 113.1 52.1 -58.1 -43.6 4.9 22.4 -7.5 110 110 A S H X S+ 0 0 39 -4,-2.6 4,-0.6 -5,-0.3 -1,-0.2 0.917 113.5 44.7 -59.2 -45.1 7.1 19.6 -8.9 111 111 A N H >< S+ 0 0 21 -4,-2.4 3,-0.9 -5,-0.2 4,-0.4 0.930 114.1 48.5 -64.2 -46.2 4.2 18.4 -11.1 112 112 A L H >X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 3,-1.8 0.849 99.4 65.9 -67.7 -31.7 3.3 21.9 -12.3 113 113 A Q H 3< S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.793 95.5 60.4 -57.9 -29.4 6.9 22.9 -13.1 114 114 A Q T << S+ 0 0 147 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.679 121.2 20.9 -70.6 -20.5 6.8 20.2 -15.9 115 115 A Q T <4 S+ 0 0 118 -3,-1.8 2,-0.3 -4,-0.4 -2,-0.2 0.484 120.9 42.3-130.3 -7.4 3.9 22.0 -17.7 116 116 A F S < S- 0 0 14 -4,-2.1 2,-0.6 -109,-0.0 -110,-0.2 -0.935 77.0-109.8-138.9 159.5 3.7 25.7 -16.7 117 117 A D E -a 6 0A 72 -112,-2.8 -110,-2.9 -2,-0.3 2,-0.4 -0.839 40.8-154.5 -90.4 123.0 6.1 28.5 -16.1 118 118 A L E +a 7 0A 2 -2,-0.6 25,-2.7 23,-0.4 26,-0.7 -0.848 17.3 174.1-107.4 138.5 6.1 29.2 -12.3 119 119 A Y E -ac 8 144A 4 -112,-2.5 -110,-3.0 -2,-0.4 2,-0.4 -0.958 25.5-128.9-134.0 156.8 6.9 32.5 -10.6 120 120 A I E -ac 9 145A 0 24,-2.1 26,-2.7 -2,-0.3 2,-0.4 -0.869 17.1-172.0-103.4 137.2 6.8 33.7 -7.0 121 121 A V E + c 0 146A 0 -112,-2.3 2,-0.3 -2,-0.4 -110,-0.3 -0.977 23.7 158.3-128.5 112.2 5.0 37.0 -6.1 122 122 A T E - c 0 147A 2 24,-2.3 26,-2.1 -2,-0.4 4,-0.0 -0.995 46.1-162.1-142.3 145.0 5.6 38.0 -2.5 123 123 A N + 0 0 11 -2,-0.3 3,-0.1 24,-0.2 -1,-0.1 0.402 66.4 114.6 -95.4 -2.5 5.6 41.1 -0.1 124 124 A G S S- 0 0 9 1,-0.2 25,-0.3 2,-0.1 24,-0.2 -0.205 86.1 -77.8 -66.3 157.2 7.7 39.1 2.4 125 125 A V > - 0 0 28 1,-0.1 4,-2.4 23,-0.1 3,-0.2 -0.351 43.7-131.6 -55.1 129.1 11.3 40.0 3.4 126 126 A S H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.921 103.9 48.5 -56.4 -50.3 13.4 38.9 0.4 127 127 A H H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 113.0 49.9 -55.7 -40.7 16.1 37.1 2.5 128 128 A T H > S+ 0 0 1 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 113.0 44.2 -66.1 -42.9 13.4 35.3 4.5 129 129 A Q H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.923 113.7 49.3 -74.2 -42.7 11.5 34.1 1.4 130 130 A Y H X S+ 0 0 64 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.935 114.1 47.3 -57.8 -47.5 14.6 33.0 -0.5 131 131 A K H X S+ 0 0 61 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.940 113.6 45.1 -63.7 -48.0 15.9 31.1 2.6 132 132 A R H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 6,-0.3 0.876 113.5 50.8 -66.8 -36.6 12.6 29.3 3.4 133 133 A L H <>S+ 0 0 0 -4,-2.6 6,-2.3 -5,-0.2 5,-1.2 0.877 113.5 46.0 -66.0 -38.5 12.0 28.4 -0.3 134 134 A R H ><5S+ 0 0 138 -4,-2.3 3,-1.3 -5,-0.2 -2,-0.2 0.943 112.4 49.3 -65.8 -48.9 15.6 27.0 -0.5 135 135 A D H 3<5S+ 0 0 75 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.791 111.9 47.7 -64.8 -30.1 15.3 25.0 2.8 136 136 A S T 3<5S- 0 0 15 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.437 113.2-118.2 -86.1 -4.4 11.9 23.4 1.8 137 137 A G T < 5S+ 0 0 29 -3,-1.3 -3,-0.2 -4,-0.3 4,-0.1 0.516 86.7 110.6 79.1 4.5 13.3 22.5 -1.6 138 138 A L > < + 0 0 0 -5,-1.2 3,-1.9 -6,-0.3 4,-0.3 0.789 51.4 85.8 -78.2 -28.4 10.8 24.6 -3.5 139 139 A F G > S+ 0 0 54 -6,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.800 82.6 53.0 -46.4 -51.9 13.3 27.2 -4.8 140 140 A P G 3 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.650 95.5 69.5 -66.2 -13.9 14.6 25.6 -8.0 141 141 A F G < S+ 0 0 39 -3,-1.9 2,-0.4 -4,-0.1 -23,-0.4 0.583 86.1 83.5 -79.4 -11.0 11.1 25.0 -9.4 142 142 A F < - 0 0 19 -3,-1.6 -23,-0.2 -4,-0.3 3,-0.1 -0.805 65.3-151.7-101.8 132.9 10.5 28.8 -10.0 143 143 A K S S- 0 0 111 -25,-2.7 2,-0.3 -2,-0.4 -24,-0.2 0.828 82.0 -8.9 -65.3 -35.8 11.7 30.7 -13.0 144 144 A D E -c 119 0A 69 -26,-0.7 -24,-2.1 2,-0.0 2,-0.4 -0.977 57.8-136.6-158.7 164.1 11.9 33.9 -11.0 145 145 A I E -c 120 0A 10 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.994 16.6-158.8-129.9 116.8 11.0 35.4 -7.6 146 146 A F E -c 121 0A 6 -26,-2.7 -24,-2.3 -2,-0.4 2,-0.4 -0.898 9.4-167.9-106.1 111.8 9.5 38.9 -7.5 147 147 A V E > -c 122 0A 1 -2,-0.7 3,-1.8 -26,-0.2 4,-0.3 -0.807 24.9-133.1-103.1 134.9 9.8 40.7 -4.1 148 148 A S G >>>S+ 0 0 3 -26,-2.1 3,-2.4 -2,-0.4 4,-0.8 0.841 100.9 68.7 -50.3 -37.8 7.9 43.9 -3.3 149 149 A E G 345S+ 0 0 92 1,-0.3 -1,-0.3 -25,-0.3 -26,-0.1 0.693 96.1 53.7 -66.2 -16.6 11.1 45.6 -1.9 150 150 A D G <45S+ 0 0 98 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.556 107.0 53.4 -84.5 -10.7 12.6 45.7 -5.4 151 151 A T T <45S- 0 0 14 -3,-2.4 -2,-0.2 2,-0.4 -1,-0.1 0.635 96.7-124.6-105.0 -21.1 9.6 47.5 -6.9 152 152 A G T <5S+ 0 0 70 -4,-0.8 2,-0.2 1,-0.4 -3,-0.1 0.289 91.7 61.0 85.7 -9.1 8.9 50.6 -4.7 153 153 A F S - 0 0 23 -2,-0.2 3,-2.1 -97,-0.2 6,-0.3 -0.982 38.3 -46.6-156.7 154.5 3.7 46.1 -2.9 155 155 A K T 3 S+ 0 0 2 1,-0.3 31,-0.1 -2,-0.3 30,-0.1 -0.432 117.6 31.3 -55.3 137.9 0.8 43.8 -3.6 156 156 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 36,-0.1 -0.963 93.3 108.6 -93.7 9.7 -2.0 44.6 -4.3 157 157 A X X> - 0 0 57 -3,-2.1 4,-1.5 -100,-0.3 3,-1.1 -0.174 67.8-134.0 -54.0 131.5 -0.8 47.8 -6.0 158 158 A K H 3> S+ 0 0 121 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.870 105.6 60.9 -51.4 -36.4 -1.1 47.7 -9.8 159 159 A E H 3> S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.810 98.2 55.9 -69.8 -27.2 2.5 49.1 -10.1 160 160 A Y H <> S+ 0 0 0 -3,-1.1 4,-1.9 -6,-0.3 -1,-0.2 0.955 110.3 45.8 -60.7 -48.4 3.9 46.0 -8.3 161 161 A F H X S+ 0 0 0 -4,-1.5 4,-3.1 1,-0.2 5,-0.2 0.896 106.6 58.4 -64.9 -33.8 2.3 43.9 -11.0 162 162 A N H X S+ 0 0 89 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.902 105.6 51.2 -58.1 -42.4 3.5 46.1 -13.8 163 163 A Y H X S+ 0 0 53 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.927 112.3 45.2 -59.6 -46.4 7.0 45.4 -12.5 164 164 A V H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 4,-0.2 0.927 112.0 51.9 -62.8 -49.1 6.4 41.6 -12.5 165 165 A F H >< S+ 0 0 24 -4,-3.1 3,-1.2 1,-0.3 6,-0.3 0.857 103.8 56.3 -61.3 -36.9 4.8 41.7 -16.0 166 166 A E H 3< S+ 0 0 161 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.702 108.8 50.3 -65.7 -18.8 7.7 43.6 -17.6 167 167 A R T << S+ 0 0 119 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.307 88.5 87.2-108.4 10.2 10.0 40.8 -16.4 168 168 A I S X S- 0 0 6 -3,-1.2 3,-1.4 -4,-0.2 -162,-0.0 -0.955 83.6-121.6-110.3 116.9 8.1 37.7 -17.7 169 169 A P T 3 S+ 0 0 97 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.348 92.7 0.2 -61.2 132.1 9.2 36.9 -21.3 170 170 A Q T 3 S- 0 0 189 1,-0.2 2,-0.0 -2,-0.0 0, 0.0 0.834 91.9-165.9 58.0 36.5 6.1 36.9 -23.7 171 171 A F < - 0 0 53 -3,-1.4 2,-0.4 -6,-0.3 -1,-0.2 -0.328 12.9-178.1 -57.5 129.0 3.8 37.8 -20.8 172 172 A S > - 0 0 31 1,-0.1 3,-1.1 -2,-0.0 -167,-0.2 -0.966 19.3-158.6-128.6 117.7 0.1 37.4 -21.5 173 173 A A G > S+ 0 0 34 -2,-0.4 3,-2.1 1,-0.2 23,-0.4 0.900 93.3 61.4 -56.2 -42.0 -2.5 38.3 -18.8 174 174 A E G 3 S+ 0 0 123 1,-0.3 -1,-0.2 21,-0.1 20,-0.0 0.734 108.9 42.5 -59.4 -25.0 -5.1 36.1 -20.4 175 175 A H G < S+ 0 0 37 -3,-1.1 -170,-3.4 -171,-0.1 -169,-2.2 0.035 99.4 94.1-111.1 22.9 -2.9 33.0 -19.9 176 176 A T E < -b 6 0A 0 -3,-2.1 20,-1.0 -172,-0.2 2,-0.4 -0.955 49.9-170.3-120.7 139.1 -1.8 33.9 -16.4 177 177 A L E -bd 7 196A 0 -171,-2.2 -169,-3.1 -2,-0.4 2,-0.5 -0.986 10.3-152.2-124.2 135.5 -3.2 32.8 -13.0 178 178 A I E -bd 8 197A 0 18,-2.1 20,-2.7 -2,-0.4 2,-0.5 -0.920 12.3-166.2-104.9 134.5 -2.3 34.1 -9.6 179 179 A I E +bd 9 198A 0 -171,-2.9 -169,-2.5 -2,-0.5 2,-0.3 -0.974 26.5 129.5-120.4 123.2 -2.8 31.7 -6.6 180 180 A G E - d 0 199A 0 18,-2.3 20,-2.3 -2,-0.5 -167,-0.1 -0.991 56.2-124.6-166.7 168.6 -2.7 33.0 -3.1 181 181 A D S S+ 0 0 48 -169,-0.3 2,-0.6 -2,-0.3 18,-0.1 0.581 80.7 91.0 -97.1 -13.6 -4.4 33.0 0.3 182 182 A S >> - 0 0 26 1,-0.2 5,-2.3 2,-0.0 4,-1.5 -0.765 52.2-166.1 -92.9 117.3 -4.8 36.8 0.8 183 183 A L T 4>S+ 0 0 18 -2,-0.6 5,-2.8 3,-0.2 6,-0.2 0.883 93.5 43.9 -59.1 -37.2 -8.0 38.5 -0.5 184 184 A T T 45S+ 0 0 19 3,-0.2 -1,-0.2 4,-0.1 5,-0.1 0.818 125.6 25.8 -83.6 -35.0 -6.3 41.8 -0.1 185 185 A A T 45S+ 0 0 4 3,-0.1 -2,-0.1 -30,-0.1 4,-0.1 0.865 133.8 25.0 -94.2 -47.1 -2.8 41.2 -1.6 186 186 A D T X5S+ 0 0 0 -4,-1.5 4,-2.7 3,-0.2 -3,-0.2 0.925 127.3 35.1 -90.9 -49.2 -3.3 38.3 -4.0 187 187 A I H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.947 112.2 41.2 -53.1 -53.4 -4.0 42.4 -6.6 190 190 A G H <>S+ 0 0 0 -4,-2.7 5,-3.1 2,-0.2 4,-0.3 0.909 114.4 51.8 -65.7 -41.1 -4.6 40.0 -9.5 191 191 A Q H ><5S+ 0 0 96 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.949 110.5 48.4 -61.3 -51.3 -8.1 41.3 -10.2 192 192 A L H 3<5S+ 0 0 102 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.843 112.0 51.0 -50.1 -43.8 -6.8 44.9 -10.4 193 193 A A T 3<5S- 0 0 22 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.361 121.7-104.2 -86.4 4.3 -3.9 43.8 -12.7 194 194 A G T < 5S+ 0 0 51 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.733 75.5 133.7 81.8 24.2 -6.2 41.9 -15.1 195 195 A L < - 0 0 8 -5,-3.1 -1,-0.3 -6,-0.2 -18,-0.1 -0.828 60.8-114.6-105.4 147.0 -5.5 38.4 -14.0 196 196 A D E -d 177 0A 40 -20,-1.0 -18,-2.1 -23,-0.4 2,-0.3 -0.462 42.1-148.1 -62.3 145.6 -7.6 35.4 -13.2 197 197 A T E -d 178 0A 2 -20,-0.2 18,-2.3 -2,-0.1 17,-0.7 -0.951 18.0-158.8-127.3 146.8 -7.3 34.6 -9.4 198 198 A C E -de 179 215A 0 -20,-2.7 -18,-2.3 -2,-0.3 2,-0.6 -0.968 15.4-150.3-126.7 112.9 -7.3 31.4 -7.3 199 199 A W E -de 180 216A 9 16,-2.7 18,-2.5 -2,-0.5 2,-0.7 -0.762 4.3-148.9 -88.1 115.1 -8.1 31.9 -3.6 200 200 A X E + e 0 217A 8 -20,-2.3 18,-0.2 -2,-0.6 3,-0.1 -0.756 33.1 157.5 -79.6 110.7 -6.5 29.4 -1.2 201 201 A N > + 0 0 4 16,-3.0 3,-1.8 -2,-0.7 18,-0.1 -0.476 6.8 160.1-139.1 62.6 -9.0 29.2 1.6 202 202 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.815 79.3 49.3 -56.6 -32.5 -8.6 25.8 3.4 203 203 A D T 3 S- 0 0 123 -3,-0.1 15,-0.1 15,-0.0 -3,-0.0 0.331 108.5-121.7 -95.1 6.1 -10.4 27.1 6.5 204 204 A X < - 0 0 127 -3,-1.8 3,-0.1 13,-0.1 14,-0.1 0.906 41.5-173.0 55.2 47.2 -13.4 28.6 4.7 205 205 A K - 0 0 126 1,-0.1 -1,-0.1 2,-0.0 2,-0.0 -0.319 27.8-100.2 -63.2 149.6 -12.8 32.0 6.0 206 206 A P - 0 0 97 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.325 21.9-123.6 -69.4 159.1 -15.5 34.6 5.2 207 207 A N > + 0 0 40 1,-0.2 3,-1.0 -3,-0.1 5,-0.0 -0.658 39.3 168.6 -99.6 75.6 -15.0 37.1 2.4 208 208 A V T 3 S+ 0 0 119 -2,-0.9 -1,-0.2 1,-0.3 -3,-0.0 0.912 77.6 42.9 -58.5 -47.2 -15.5 40.3 4.5 209 209 A P T 3 S- 0 0 73 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.631 105.0-129.5 -73.5 -9.0 -14.3 42.7 1.8 210 210 A E < + 0 0 156 -3,-1.0 2,-0.8 1,-0.2 -2,-0.1 0.916 45.1 165.3 56.1 48.1 -16.3 40.8 -0.9 211 211 A I - 0 0 17 -20,-0.0 -1,-0.2 1,-0.0 -23,-0.1 -0.866 29.8-144.1 -91.5 108.9 -13.2 40.5 -3.2 212 212 A I - 0 0 120 -2,-0.8 -15,-0.1 -3,-0.1 2,-0.1 -0.667 11.6-156.1 -91.2 114.1 -14.4 37.9 -5.6 213 213 A P - 0 0 19 0, 0.0 -15,-0.1 0, 0.0 3,-0.1 -0.336 24.6-124.3 -78.7 162.1 -11.8 35.4 -7.0 214 214 A T S S+ 0 0 69 -17,-0.7 2,-0.3 1,-0.2 -16,-0.2 0.908 98.1 11.6 -68.0 -41.2 -12.1 33.4 -10.3 215 215 A Y E -e 198 0A 64 -18,-2.3 -16,-2.7 2,-0.0 2,-0.4 -0.949 63.9-160.7-133.6 155.9 -11.6 30.2 -8.2 216 216 A E E +e 199 0A 105 -2,-0.3 2,-0.3 -18,-0.2 -16,-0.2 -0.992 18.9 171.7-137.0 128.5 -11.7 29.3 -4.6 217 217 A I E -e 200 0A 3 -18,-2.5 -16,-3.0 -2,-0.4 -13,-0.1 -0.881 31.1-153.6-131.3 163.4 -10.1 26.0 -3.3 218 218 A R S S+ 0 0 139 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.719 84.0 36.1-103.0 -33.3 -9.3 24.3 0.1 219 219 A K S > S- 0 0 120 1,-0.1 3,-1.8 -18,-0.1 -1,-0.3 -0.941 75.6-126.6-125.8 146.3 -6.4 22.1 -1.0 220 220 A L G > S+ 0 0 1 -117,-0.5 3,-2.2 -2,-0.4 4,-0.2 0.803 105.5 68.6 -56.6 -32.8 -3.6 22.7 -3.5 221 221 A E G > S+ 0 0 107 1,-0.3 3,-1.6 -118,-0.2 4,-0.5 0.725 81.5 75.8 -64.4 -18.2 -4.4 19.4 -5.3 222 222 A E G <> S+ 0 0 71 -3,-1.8 4,-1.4 1,-0.3 -1,-0.3 0.671 79.3 76.0 -64.2 -14.8 -7.7 21.0 -6.5 223 223 A L H <> S+ 0 0 0 -3,-2.2 4,-2.8 1,-0.2 -1,-0.3 0.773 78.6 70.4 -66.3 -26.8 -5.5 22.9 -9.0 224 224 A Y H <>>S+ 0 0 15 -3,-1.6 5,-2.3 1,-0.2 4,-0.6 0.940 104.8 39.9 -56.0 -48.1 -5.1 19.8 -11.2 225 225 A H H >45S+ 0 0 171 -4,-0.5 3,-0.6 -3,-0.3 -1,-0.2 0.903 115.0 50.8 -68.8 -41.0 -8.7 20.1 -12.3 226 226 A I H 3<5S+ 0 0 44 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 117.0 41.2 -63.2 -36.6 -8.7 23.9 -12.5 227 227 A L H 3<5S- 0 0 6 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.509 109.0-129.6 -87.7 -6.9 -5.6 23.8 -14.7 228 228 A N T <<5 + 0 0 84 -3,-0.6 2,-0.3 -4,-0.6 -3,-0.2 0.927 62.7 128.6 52.9 52.7 -7.0 20.7 -16.6 229 229 A I < - 0 0 12 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.984 62.2-107.9-129.7 147.7 -3.9 18.6 -16.2 230 230 A E - 0 0 177 -2,-0.3 2,-0.2 -3,-0.1 -5,-0.0 -0.551 34.2-116.8 -75.2 134.4 -3.6 15.0 -14.9 231 231 A N 0 0 98 -2,-0.3 -1,-0.1 1,-0.1 -123,-0.0 -0.459 360.0 360.0 -68.3 137.8 -2.1 14.5 -11.4 232 232 A T 0 0 135 -2,-0.2 -1,-0.1 -125,-0.1 -2,-0.0 0.090 360.0 360.0-151.8 360.0 1.2 12.5 -11.2