==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 15-JUL-03 1Q07 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR CUER; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.CHANGELA,K.CHEN,Y.XUE,J.HOLSCHEN,C.E.OUTTEN, . 248 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 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 . 6 2.4 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 . 2 0.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 1 0 2 2 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 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 1 A M 0 0 72 0, 0.0 38,-2.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 160.8 50.0 46.6 37.5 2 2 A N > - 0 0 70 36,-0.2 4,-1.8 1,-0.1 3,-0.2 -0.533 360.0 -95.9 -99.1 171.9 53.4 45.2 36.7 3 3 A I H > S+ 0 0 38 34,-0.4 4,-1.9 1,-0.2 5,-0.1 0.839 120.8 61.0 -59.3 -34.2 55.0 42.3 38.4 4 4 A S H > S+ 0 0 58 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.947 106.2 44.6 -57.9 -51.6 57.0 44.5 40.8 5 5 A D H > S+ 0 0 58 -3,-0.2 4,-2.9 1,-0.2 5,-0.2 0.915 110.6 54.5 -59.8 -44.8 53.9 46.1 42.3 6 6 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 6,-0.3 0.856 109.6 49.5 -58.2 -35.0 52.1 42.7 42.6 7 7 A A H X>S+ 0 0 14 -4,-1.9 4,-2.8 2,-0.2 5,-1.0 0.977 111.5 45.6 -67.7 -55.8 55.2 41.6 44.5 8 8 A K H <5S+ 0 0 166 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.872 118.1 45.8 -54.5 -40.1 55.2 44.5 46.9 9 9 A I H <5S+ 0 0 104 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.847 120.7 35.0 -73.7 -37.6 51.5 44.2 47.4 10 10 A T H <5S- 0 0 7 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.660 100.5-122.0 -94.4 -17.3 51.3 40.4 47.9 11 11 A G T <5S+ 0 0 39 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.800 70.9 125.4 80.0 27.2 54.5 39.8 49.8 12 12 A L < - 0 0 21 -5,-1.0 -1,-0.3 -6,-0.3 2,-0.2 -0.859 62.7-115.1-116.3 153.1 55.7 37.4 47.2 13 13 A T > - 0 0 91 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.581 25.0-118.0 -84.0 152.4 59.0 37.5 45.3 14 14 A S H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.872 118.5 61.0 -53.9 -36.5 58.9 38.1 41.5 15 15 A K H > S+ 0 0 167 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.949 106.3 43.9 -53.4 -54.3 60.6 34.7 41.4 16 16 A A H > S+ 0 0 21 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.893 111.6 52.2 -60.1 -47.1 57.6 33.1 43.1 17 17 A I H X S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.939 112.9 44.9 -56.4 -48.5 55.0 34.9 41.0 18 18 A R H X S+ 0 0 99 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.841 111.8 55.8 -64.6 -32.2 56.6 33.8 37.8 19 19 A F H X S+ 0 0 90 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.948 104.9 48.9 -66.0 -50.2 56.9 30.3 39.3 20 20 A Y H <>S+ 0 0 16 -4,-2.8 5,-2.1 1,-0.2 6,-0.8 0.824 111.7 52.4 -60.1 -30.1 53.2 30.0 40.0 21 21 A E H ><5S+ 0 0 38 -4,-1.5 3,-1.2 -5,-0.2 -1,-0.2 0.922 106.7 51.5 -69.4 -46.0 52.6 31.2 36.4 22 22 A E H 3<5S+ 0 0 136 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.848 110.3 49.5 -60.3 -34.8 55.0 28.5 35.0 23 23 A K T 3<5S- 0 0 120 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.559 110.7-123.7 -81.5 -8.2 53.1 25.8 37.0 24 24 A G T < 5S+ 0 0 60 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.729 72.6 130.9 72.0 21.0 49.8 27.1 35.6 25 25 A L < + 0 0 36 -5,-2.1 2,-0.3 -6,-0.2 -4,-0.2 0.691 66.0 38.2 -79.7 -20.6 48.5 27.6 39.2 26 26 A V S S- 0 0 17 -6,-0.8 17,-0.1 -9,-0.1 -2,-0.1 -0.877 102.0 -84.2-127.1 161.3 47.3 31.1 38.6 27 27 A T - 0 0 58 -2,-0.3 -2,-0.1 15,-0.1 -6,-0.0 -0.451 58.9-104.3 -63.0 129.3 45.6 32.9 35.7 28 28 A P - 0 0 86 0, 0.0 -1,-0.1 0, 0.0 15,-0.0 -0.150 36.5-109.7 -55.0 149.6 48.3 33.9 33.3 29 29 A P - 0 0 18 0, 0.0 10,-0.2 0, 0.0 2,-0.2 -0.336 35.0-108.3 -74.1 165.4 49.1 37.6 33.3 30 30 A M E -A 38 0A 94 8,-2.5 8,-2.0 -2,-0.0 2,-0.4 -0.545 26.2-129.6 -88.9 162.1 48.1 39.7 30.3 31 31 A R E -A 37 0A 158 6,-0.2 6,-0.2 -2,-0.2 2,-0.1 -0.906 21.0-137.9-111.5 143.8 50.7 41.0 27.8 32 32 A S > - 0 0 26 4,-1.7 3,-1.8 -2,-0.4 6,-0.0 -0.297 36.0 -88.8 -92.4 179.1 50.8 44.7 26.8 33 33 A E T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.728 133.6 49.6 -57.8 -21.9 51.3 46.4 23.5 34 34 A N T 3 S- 0 0 111 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.535 121.1-109.0 -95.3 -10.6 55.0 46.2 24.5 35 35 A G S < S+ 0 0 30 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.636 74.3 128.7 91.6 16.0 54.9 42.5 25.4 36 36 A Y - 0 0 169 1,-0.1 -4,-1.7 -34,-0.0 -1,-0.3 -0.673 61.9 -94.0-104.4 160.4 55.2 42.9 29.2 37 37 A R E +A 31 0A 56 -2,-0.2 -34,-0.4 -6,-0.2 2,-0.4 -0.511 37.9 178.4 -77.5 133.2 53.2 41.4 32.0 38 38 A T E -A 30 0A 45 -8,-2.0 -8,-2.5 -2,-0.3 2,-0.3 -0.990 9.2-159.1-132.2 142.4 50.2 43.2 33.6 39 39 A Y - 0 0 12 -38,-2.1 2,-0.3 -2,-0.4 -33,-0.0 -0.764 1.9-152.0-119.0 164.4 48.0 42.0 36.3 40 40 A T >> - 0 0 55 -2,-0.3 4,-1.9 1,-0.0 3,-1.4 -0.784 44.4 -88.1-126.8 171.6 44.5 42.8 37.6 41 41 A Q H 3> S+ 0 0 109 1,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.833 126.8 62.9 -48.7 -35.4 42.8 42.5 40.9 42 42 A Q H 3> S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.888 104.2 44.6 -59.2 -41.3 41.9 39.0 39.8 43 43 A H H <> S+ 0 0 8 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.864 111.0 55.8 -71.2 -34.7 45.5 38.0 39.7 44 44 A L H X S+ 0 0 12 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.904 108.8 46.7 -62.9 -42.2 46.1 39.8 43.0 45 45 A N H X S+ 0 0 43 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.946 112.1 48.9 -66.5 -48.5 43.4 37.7 44.7 46 46 A E H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.905 115.5 44.4 -58.1 -44.0 44.6 34.4 43.2 47 47 A L H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.924 111.5 52.1 -68.8 -44.3 48.2 35.1 44.3 48 48 A T H X S+ 0 0 36 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.954 112.0 47.5 -54.3 -51.2 47.2 36.4 47.8 49 49 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 202,-0.3 -1,-0.2 0.931 111.6 50.3 -55.0 -48.9 45.2 33.2 48.3 50 50 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.907 110.3 50.2 -58.4 -43.7 48.1 31.1 47.1 51 51 A R H X S+ 0 0 93 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.927 113.4 43.5 -62.5 -47.8 50.5 32.8 49.4 52 52 A Q H X S+ 0 0 63 -4,-2.5 4,-1.4 198,-0.4 -1,-0.2 0.775 110.1 56.1 -71.2 -26.3 48.4 32.4 52.6 53 53 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 -5,-0.3 -1,-0.2 0.869 109.6 46.4 -72.8 -35.2 47.6 28.8 51.7 54 54 A R H ><5S+ 0 0 88 -4,-1.7 3,-1.4 -5,-0.2 -2,-0.2 0.888 109.6 55.7 -70.6 -39.2 51.3 28.0 51.6 55 55 A Q H 3<5S+ 0 0 98 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.806 106.4 50.0 -61.9 -33.9 51.8 29.9 54.8 56 56 A V T 3<5S- 0 0 6 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.272 131.0 -86.9 -91.6 11.5 49.2 27.8 56.7 57 57 A G T < 5S+ 0 0 40 -3,-1.4 -3,-0.2 1,-0.3 2,-0.1 0.302 78.8 138.9 108.9 -12.9 50.7 24.5 55.5 58 58 A F < - 0 0 6 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.0 -0.447 43.1-139.6 -69.6 140.3 49.2 23.7 52.1 59 59 A N > - 0 0 68 -2,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.183 33.8 -87.0 -84.8-173.9 51.6 22.3 49.5 60 60 A L H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.973 123.5 47.1 -61.4 -61.0 51.6 23.3 45.8 61 61 A E H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 117.4 44.7 -47.8 -49.7 49.0 20.8 44.4 62 62 A E H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 111.3 52.8 -62.6 -45.6 46.6 21.6 47.3 63 63 A S H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.863 108.9 50.9 -59.0 -37.6 47.1 25.3 47.0 64 64 A G H >X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 3,-0.5 0.920 105.9 54.1 -67.2 -42.8 46.3 25.1 43.3 65 65 A E H 3X S+ 0 0 57 -4,-2.0 4,-2.7 1,-0.3 -1,-0.2 0.873 105.7 54.6 -59.1 -35.5 43.1 23.2 44.0 66 66 A L H 3X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.827 106.0 51.3 -67.5 -31.8 42.1 26.0 46.4 67 67 A V H < S+ 0 0 20 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.887 109.8 55.4 -60.0 -38.2 37.8 26.3 44.1 70 70 A F H 3< S+ 0 0 35 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.901 111.0 43.0 -61.5 -41.7 38.2 30.0 44.4 71 71 A N H 3< S+ 0 0 65 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.493 93.4 97.8 -83.6 -3.0 37.5 30.5 40.7 72 72 A D X< - 0 0 69 -4,-0.8 3,-1.1 -3,-0.7 -4,-0.0 -0.777 55.0-166.8 -90.2 113.5 34.6 28.0 40.8 73 73 A P T 3 S+ 0 0 111 0, 0.0 169,-0.2 0, 0.0 -1,-0.2 0.697 91.8 50.1 -70.0 -17.9 31.3 29.9 41.1 74 74 A Q T 3 S+ 0 0 170 167,-0.1 2,-0.1 -3,-0.1 -3,-0.0 -0.199 81.6 144.2-112.5 39.0 29.6 26.6 41.9 75 75 A R < - 0 0 41 -3,-1.1 2,-0.6 -6,-0.2 3,-0.1 -0.404 49.1-128.5 -75.0 154.3 32.1 25.5 44.6 76 76 A H >> - 0 0 85 1,-0.1 4,-1.3 -2,-0.1 3,-1.2 -0.933 5.6-149.6-106.7 114.6 30.8 23.5 47.6 77 77 A S H 3> S+ 0 0 0 164,-2.3 4,-2.2 -2,-0.6 163,-0.2 0.783 97.5 65.9 -53.8 -24.2 32.0 25.1 50.8 78 78 A A H 3> S+ 0 0 33 161,-2.4 4,-2.7 2,-0.2 -1,-0.3 0.921 96.8 52.7 -65.0 -42.3 31.9 21.6 52.2 79 79 A D H <> S+ 0 0 52 -3,-1.2 4,-1.9 160,-0.3 -1,-0.2 0.933 110.7 46.9 -58.6 -45.5 34.7 20.5 49.9 80 80 A V H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.896 111.8 52.3 -63.6 -38.8 36.9 23.4 51.1 81 81 A K H X S+ 0 0 62 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.927 106.1 51.5 -65.1 -45.1 36.0 22.6 54.7 82 82 A R H X S+ 0 0 116 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.932 111.5 48.7 -57.6 -44.0 37.0 18.9 54.4 83 83 A R H X S+ 0 0 61 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.839 110.8 51.3 -64.0 -34.9 40.4 20.0 52.9 84 84 A T H X S+ 0 0 1 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.892 109.6 47.8 -71.0 -40.9 40.9 22.5 55.7 85 85 A L H X S+ 0 0 73 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.853 110.3 52.6 -70.5 -31.4 40.2 20.0 58.5 86 86 A E H X S+ 0 0 102 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.935 108.8 50.6 -66.1 -42.9 42.5 17.5 56.9 87 87 A K H X S+ 0 0 4 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.821 106.6 56.0 -62.9 -31.7 45.2 20.2 56.9 88 88 A V H X S+ 0 0 11 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.924 103.0 53.7 -68.5 -41.8 44.5 20.8 60.5 89 89 A A H X S+ 0 0 41 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.935 109.1 50.0 -56.7 -46.4 45.2 17.2 61.4 90 90 A E H X S+ 0 0 76 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.916 108.8 50.7 -57.8 -45.9 48.6 17.5 59.7 91 91 A I H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.877 108.1 54.4 -61.2 -36.1 49.4 20.7 61.6 92 92 A E H X S+ 0 0 61 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.927 109.9 45.7 -62.5 -45.3 48.5 18.8 64.8 93 93 A R H X S+ 0 0 131 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.915 111.5 52.0 -63.2 -43.1 51.0 16.0 64.0 94 94 A H H X S+ 0 0 72 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.907 110.0 49.9 -59.7 -42.3 53.6 18.5 63.0 95 95 A I H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 108.4 52.1 -63.6 -44.1 53.1 20.2 66.4 96 96 A E H X S+ 0 0 113 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.891 109.9 50.4 -58.8 -40.9 53.4 16.9 68.2 97 97 A E H X S+ 0 0 124 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.947 110.1 47.4 -61.9 -52.5 56.7 16.2 66.4 98 98 A L H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.833 110.6 53.9 -60.1 -32.6 58.2 19.6 67.3 99 99 A Q H X S+ 0 0 65 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.910 106.2 52.4 -68.1 -39.6 57.0 19.0 70.9 100 100 A S H X S+ 0 0 75 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.856 111.6 46.1 -63.8 -36.6 58.8 15.7 71.0 101 101 A M H X S+ 0 0 38 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.897 110.7 53.3 -72.4 -40.8 62.0 17.4 69.8 102 102 A R H X S+ 0 0 46 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.885 108.4 49.6 -62.0 -39.6 61.6 20.2 72.3 103 103 A D H X S+ 0 0 88 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.919 109.8 50.7 -66.7 -43.5 61.3 17.7 75.2 104 104 A Q H X S+ 0 0 106 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.910 112.0 46.9 -61.0 -43.3 64.4 15.8 74.2 105 105 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.870 112.1 50.9 -67.3 -36.0 66.4 19.0 74.0 106 106 A L H X S+ 0 0 56 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.848 109.1 51.0 -69.8 -33.2 65.1 20.2 77.4 107 107 A A H X S+ 0 0 54 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.967 112.3 46.1 -65.9 -52.5 66.0 16.8 79.0 108 108 A L H < S+ 0 0 24 -4,-2.4 10,-0.3 1,-0.2 -2,-0.2 0.916 113.9 49.4 -55.3 -44.7 69.5 17.1 77.6 109 109 A A H >< S+ 0 0 1 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.871 107.9 54.7 -63.6 -37.9 69.7 20.7 78.8 110 110 A N H 3< S+ 0 0 123 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.971 103.2 53.5 -60.3 -55.6 68.4 19.8 82.2 111 111 A A T 3< S+ 0 0 70 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.430 98.2 94.9 -61.2 3.5 71.1 17.1 82.9 112 112 A C < - 0 0 12 -3,-1.2 -3,-0.0 -5,-0.2 90,-0.0 -0.785 54.2-165.7-107.9 144.2 73.7 19.8 82.0 113 113 A P 0 0 77 0, 0.0 92,-0.1 0, 0.0 -1,-0.1 0.257 360.0 360.0 -93.9-141.1 75.8 22.2 84.3 114 114 A G 0 0 84 87,-0.1 87,-0.2 88,-0.1 0, 0.0 -0.881 360.0 360.0-150.4 360.0 77.8 25.3 83.3 115 ! 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 0.0 116 120 A C > 0 0 52 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 99.8 78.6 18.0 79.0 117 121 A P H > + 0 0 31 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.866 360.0 62.4 -57.0 -38.8 75.6 15.6 78.8 118 122 A I H > S+ 0 0 0 -10,-0.3 4,-1.3 2,-0.2 3,-0.2 0.967 111.0 32.4 -51.4 -67.7 74.3 17.3 75.7 119 123 A I H > S+ 0 0 16 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.915 117.2 57.1 -58.8 -45.7 77.2 16.6 73.4 120 124 A E H < S+ 0 0 142 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.859 111.9 40.8 -56.4 -39.5 78.0 13.3 75.0 121 125 A N H < S+ 0 0 97 -4,-2.4 -1,-0.2 -3,-0.2 -2,-0.2 0.672 108.4 60.1 -85.1 -17.0 74.5 11.9 74.3 122 126 A L H < 0 0 5 -4,-1.3 54,-0.4 -3,-0.5 -1,-0.2 0.607 360.0 360.0 -84.0 -12.4 74.2 13.4 70.8 123 127 A S < 0 0 36 -4,-1.0 46,-0.1 -3,-0.3 47,-0.1 -0.359 360.0 360.0-121.0 360.0 77.2 11.4 69.6 124 !* 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 0.0 125 1 B M 0 0 72 0, 0.0 38,-2.9 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 136.6 86.9 1.1 58.7 126 2 B N > - 0 0 71 36,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.446 360.0 -92.0 -94.9 175.2 86.2 2.0 55.2 127 3 B I H > S+ 0 0 32 34,-0.3 4,-2.2 1,-0.2 5,-0.2 0.886 124.9 54.3 -55.7 -39.9 83.5 4.4 54.0 128 4 B S H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 107.6 50.3 -62.0 -40.1 81.0 1.5 53.5 129 5 B D H > S+ 0 0 65 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.916 109.7 50.6 -63.6 -42.5 81.5 0.3 57.1 130 6 B V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 6,-0.4 0.892 109.4 52.0 -62.1 -37.8 80.9 3.9 58.3 131 7 B A H X S+ 0 0 15 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.932 111.8 45.0 -64.5 -46.5 77.7 4.1 56.3 132 8 B K H < S+ 0 0 155 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.959 116.2 46.6 -63.4 -48.5 76.4 0.8 57.7 133 9 B I H < S+ 0 0 106 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.889 123.1 31.9 -62.1 -42.3 77.4 1.8 61.3 134 10 B T H < S- 0 0 6 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.656 99.1-124.8 -91.5 -18.2 76.0 5.3 61.2 135 11 B G < + 0 0 64 -4,-2.3 2,-0.2 1,-0.4 -4,-0.1 0.381 69.6 127.4 89.1 -6.6 73.0 4.9 58.9 136 12 B L - 0 0 23 -6,-0.4 -1,-0.4 -5,-0.2 -2,-0.2 -0.515 63.7-113.7 -82.2 154.4 74.4 7.7 56.6 137 13 B T > - 0 0 88 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.471 24.9-115.6 -80.3 159.9 74.8 7.1 52.9 138 14 B S H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.818 118.1 56.2 -65.6 -29.4 78.4 7.1 51.5 139 15 B K H > S+ 0 0 160 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 107.0 49.0 -67.1 -42.3 77.5 10.2 49.5 140 16 B A H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.925 110.7 50.0 -62.5 -44.3 76.4 12.0 52.7 141 17 B I H X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.885 111.6 48.2 -62.7 -39.7 79.7 11.0 54.4 142 18 B R H X S+ 0 0 113 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.847 110.5 53.8 -69.1 -32.0 81.7 12.3 51.5 143 19 B F H X S+ 0 0 81 -4,-2.0 4,-2.0 2,-0.2 6,-0.2 0.922 105.5 51.3 -66.9 -46.9 79.6 15.5 51.6 144 20 B Y H <>S+ 0 0 18 -4,-2.5 5,-2.5 1,-0.2 6,-0.8 0.898 114.0 45.1 -58.9 -39.9 80.3 16.2 55.2 145 21 B E H ><5S+ 0 0 31 -4,-1.6 3,-2.5 1,-0.2 -2,-0.2 0.948 109.7 54.0 -67.7 -48.9 84.0 15.8 54.6 146 22 B E H 3<5S+ 0 0 141 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.826 110.7 47.7 -55.7 -32.3 84.0 17.9 51.5 147 23 B K T 3<5S- 0 0 112 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.326 112.2-120.9 -91.9 7.7 82.3 20.7 53.5 148 24 B G T < 5S+ 0 0 56 -3,-2.5 -3,-0.2 -5,-0.1 -2,-0.1 0.755 74.3 130.6 61.0 24.3 84.9 20.4 56.3 149 25 B L S - 0 0 44 4,-1.8 3,-2.0 -2,-0.3 6,-0.1 -0.349 43.2 -87.1 -90.4 177.0 95.3 3.5 53.4 157 33 B E T 3 S+ 0 0 196 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.793 132.1 45.1 -54.1 -29.8 98.2 1.9 51.5 158 34 B N T 3 S- 0 0 127 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.368 123.7-100.7 -98.1 3.5 95.9 1.9 48.4 159 35 B G S < S+ 0 0 40 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.626 75.6 134.3 90.6 14.7 94.6 5.4 48.7 160 36 B Y - 0 0 159 1,-0.1 -4,-1.8 -34,-0.0 -1,-0.3 -0.691 62.8 -94.6 -98.5 152.1 91.2 4.7 50.3 161 37 B R E -B 155 0B 53 -2,-0.3 2,-0.4 -6,-0.2 -34,-0.3 -0.330 36.3-160.7 -62.8 139.4 89.7 6.6 53.2 162 38 B T E -B 154 0B 54 -8,-1.6 -8,-0.9 -36,-0.1 2,-0.2 -0.991 7.5-157.9-124.3 130.0 90.2 5.0 56.6 163 39 B Y - 0 0 11 -38,-2.9 2,-0.3 -2,-0.4 -34,-0.0 -0.700 4.5-161.1-109.3 160.6 88.0 6.0 59.5 164 40 B T >> - 0 0 71 -2,-0.2 4,-1.6 1,-0.0 3,-1.3 -0.803 44.1 -89.4-129.9 172.3 88.4 5.8 63.2 165 41 B Q H 3> S+ 0 0 115 1,-0.3 4,-2.2 -2,-0.3 5,-0.1 0.790 124.4 63.7 -54.6 -28.5 86.1 5.9 66.2 166 42 B Q H 3> S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.895 101.3 49.7 -64.8 -37.8 86.5 9.7 66.2 167 43 B H H <> S+ 0 0 10 -3,-1.3 4,-2.8 2,-0.2 5,-0.3 0.907 108.9 52.1 -66.2 -41.4 84.9 9.9 62.7 168 44 B L H X S+ 0 0 12 -4,-1.6 4,-2.0 1,-0.2 5,-0.2 0.907 110.5 49.2 -61.1 -40.5 82.0 7.7 63.9 169 45 B N H X S+ 0 0 48 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.934 113.0 45.7 -66.2 -43.7 81.5 10.1 66.9 170 46 B E H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.933 114.9 46.8 -64.3 -47.6 81.5 13.2 64.7 171 47 B L H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.845 113.5 49.0 -64.2 -35.4 79.2 11.8 62.0 172 48 B T H X S+ 0 0 26 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.948 111.6 48.0 -69.4 -48.1 76.8 10.5 64.7 173 49 B L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.944 113.2 50.1 -54.7 -48.0 76.7 13.8 66.5 174 50 B L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.909 112.2 46.3 -57.8 -44.9 76.1 15.4 63.1 175 51 B R H X S+ 0 0 59 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.879 118.4 41.1 -67.5 -39.6 73.3 13.1 62.3 176 52 B Q H X S+ 0 0 61 -4,-2.9 4,-1.2 -54,-0.4 -2,-0.2 0.810 110.1 57.1 -79.7 -30.4 71.6 13.4 65.6 177 53 B A H <>S+ 0 0 0 -4,-3.1 5,-1.9 -5,-0.3 3,-0.2 0.922 111.2 44.9 -64.7 -40.9 72.2 17.1 65.9 178 54 B R H ><5S+ 0 0 112 -4,-1.8 3,-1.7 -5,-0.2 -2,-0.2 0.902 108.6 55.4 -68.3 -43.2 70.3 17.5 62.6 179 55 B Q H 3<5S+ 0 0 131 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.743 108.2 51.5 -62.9 -22.5 67.5 15.2 63.6 180 56 B V T 3<5S- 0 0 3 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.147 131.1 -81.6-104.3 21.7 66.9 17.3 66.7 181 57 B G T < 5S+ 0 0 26 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.067 84.2 126.7 112.5 -29.6 66.6 20.7 65.0 182 58 B F < - 0 0 7 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.402 49.5-135.5 -69.6 140.8 70.1 22.0 64.3 183 59 B N > - 0 0 76 -2,-0.1 4,-2.6 1,-0.0 5,-0.2 -0.185 35.7 -85.4 -83.5-177.4 71.1 23.1 60.8 184 60 B L H > S+ 0 0 45 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.938 126.0 41.3 -56.3 -56.5 74.3 22.3 59.0 185 61 B E H > S+ 0 0 135 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 116.2 50.6 -60.6 -43.7 76.5 25.1 60.3 186 62 B E H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 112.3 48.2 -59.9 -40.4 75.1 24.7 63.8 187 63 B S H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.926 110.0 51.8 -66.1 -42.6 75.8 21.0 63.6 188 64 B G H X S+ 0 0 4 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.872 110.0 49.2 -61.4 -37.0 79.3 21.7 62.4 189 65 B E H X S+ 0 0 58 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.860 107.0 54.9 -71.6 -33.3 79.8 24.0 65.3 190 66 B L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.889 107.6 51.0 -65.9 -34.7 78.5 21.4 67.7 191 67 B V H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.879 107.3 53.0 -68.0 -37.9 81.1 19.0 66.2 192 68 B N H X S+ 0 0 103 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.874 111.4 46.2 -64.5 -37.3 83.9 21.6 66.8 193 69 B L H >< S+ 0 0 22 -4,-2.0 3,-0.6 2,-0.2 -2,-0.2 0.893 108.4 57.2 -71.2 -39.0 82.8 21.9 70.4 194 70 B F H 3< S+ 0 0 53 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.931 107.2 46.9 -55.8 -49.7 82.7 18.1 70.8 195 71 B N H 3< S+ 0 0 55 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.680 90.2 105.1 -68.9 -18.3 86.3 17.7 69.7 196 72 B D << - 0 0 62 -4,-0.7 -3,-0.0 -3,-0.6 -4,-0.0 -0.459 65.2-147.9 -70.3 132.0 87.4 20.4 72.1 197 73 B P 0 0 139 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.832 360.0 360.0 -64.3 -33.0 89.2 19.2 75.2 198 74 B Q 0 0 150 2,-0.1 -2,-0.1 -3,-0.0 0, 0.0 -0.484 360.0 360.0 -67.1 360.0 87.8 22.2 77.1 199 ! 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 0.0 200 76 B H >> 0 0 69 0, 0.0 3,-2.4 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0 53.2 82.3 24.6 77.3 201 77 B S H >> + 0 0 28 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.837 360.0 42.9 -36.6 -52.9 79.3 23.2 79.1 202 78 B A H 3> S+ 0 0 56 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.641 107.7 61.0 -74.1 -14.1 77.6 26.6 79.2 203 79 B D H <> S+ 0 0 39 -3,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.677 112.6 37.4 -84.7 -18.1 78.5 27.3 75.6 204 80 B V H < S+ 0 0 3 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.887 106.5 52.8 -64.4 -37.5 36.0 26.1 59.5 234 110 B N H 3< S+ 0 0 141 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.855 109.8 49.2 -66.2 -32.3 33.6 26.6 62.4 235 111 B A H 3< S+ 0 0 62 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.634 91.9 105.6 -78.9 -13.8 32.2 29.6 60.5 236 112 B C << - 0 0 9 -4,-0.9 8,-0.1 -3,-0.6 -3,-0.0 -0.481 68.8-143.1 -74.8 131.5 31.9 27.5 57.3 237 113 B P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.788 26.2-153.6 -61.4 -25.4 28.4 26.3 56.2 238 114 B G + 0 0 29 1,-0.2 2,-0.2 -161,-0.1 -160,-0.1 0.924 54.4 101.4 51.1 49.6 30.1 23.2 55.1 239 115 B D S S- 0 0 63 2,-0.3 -161,-2.4 0, 0.0 -160,-0.3 -0.561 90.7 -69.9-139.4-157.1 27.4 22.5 52.5 240 116 B D S S+ 0 0 121 -164,-0.2 2,-0.2 -2,-0.2 -2,-0.0 0.397 92.6 102.0 -87.7 1.3 26.6 22.8 48.8 241 117 B S S S- 0 0 30 2,-0.1 -164,-2.3 1,-0.1 -2,-0.3 -0.545 74.0-129.6 -85.6 154.7 26.4 26.6 48.7 242 118 B A S S+ 0 0 30 -166,-0.2 -1,-0.1 -2,-0.2 -166,-0.1 0.758 74.6 109.9 -73.8 -28.0 29.3 28.7 47.3 243 119 B D + 0 0 120 1,-0.1 -166,-0.2 4,-0.0 -2,-0.1 -0.313 45.1 170.6 -52.1 121.9 29.5 31.0 50.3 244 120 B C > - 0 0 5 1,-0.1 4,-1.8 -8,-0.1 5,-0.1 -0.903 29.1-169.8-144.4 111.8 32.8 30.0 52.0 245 121 B P H > S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.760 89.7 57.9 -69.9 -25.1 34.5 32.0 54.8 246 122 B I H 4 S+ 0 0 1 2,-0.2 5,-0.1 -14,-0.2 -13,-0.1 0.959 111.4 38.4 -69.3 -53.2 37.7 29.9 54.5 247 123 B I H >> S+ 0 0 4 1,-0.2 3,-1.1 2,-0.2 4,-0.9 0.889 117.9 52.3 -62.7 -42.0 38.4 30.7 50.8 248 124 B E H 3< S+ 0 0 135 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.906 110.7 44.8 -63.3 -45.4 37.2 34.3 51.3 249 125 B N T 3< S+ 0 0 96 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.184 114.1 50.7 -88.8 18.8 39.5 35.0 54.3 250 126 B L T <4 0 0 2 -3,-1.1 -198,-0.4 -197,-0.0 -1,-0.2 0.431 360.0 360.0-124.5 -14.8 42.5 33.4 52.6 251 127 B S < 0 0 29 -4,-0.9 -202,-0.3 -3,-0.5 -203,-0.2 0.018 360.0 360.0-108.2 360.0 42.3 35.3 49.3