==== 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 TRANSCRIPTION REGULATOR 31-OCT-07 3B81 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, ACRR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM ATCC 824; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 183 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 71.0 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.3 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 1 0 0 1 1 0 0 0 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 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 6 A I 0 0 175 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.3 17.6 16.0 3.1 2 7 A N > + 0 0 123 2,-0.1 4,-1.1 3,-0.1 3,-0.4 0.577 360.0 62.8-112.0 -38.2 13.8 16.4 2.7 3 8 A F H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.764 97.8 60.8 -50.0 -37.0 13.1 14.4 6.0 4 9 A N H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.858 99.1 53.3 -65.1 -41.1 15.0 17.3 7.8 5 10 A N H > S+ 0 0 105 -3,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.871 113.9 42.8 -59.4 -43.4 12.5 20.0 6.6 6 11 A K H X S+ 0 0 36 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.902 112.0 52.8 -71.2 -46.6 9.5 18.0 8.0 7 12 A R H X S+ 0 0 51 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.843 110.7 47.1 -58.1 -41.6 11.3 17.0 11.3 8 13 A T H X S+ 0 0 55 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.739 106.6 57.8 -75.6 -26.7 12.1 20.6 12.1 9 14 A E H X S+ 0 0 50 -4,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.900 113.0 41.2 -65.1 -41.5 8.5 21.8 11.3 10 15 A L H X S+ 0 0 27 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.888 110.8 55.8 -70.8 -45.2 7.3 19.3 14.0 11 16 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.880 106.7 52.0 -53.1 -43.9 10.2 20.2 16.4 12 17 A N H X S+ 0 0 84 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.855 112.0 44.9 -58.4 -43.5 9.0 23.9 16.2 13 18 A K H X S+ 0 0 119 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.850 112.0 52.4 -71.0 -37.2 5.4 22.8 17.0 14 19 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.885 104.1 57.7 -65.0 -41.6 6.7 20.6 19.9 15 20 A W H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.959 106.6 47.8 -49.6 -55.2 8.7 23.5 21.3 16 21 A D H X S+ 0 0 81 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.855 112.3 50.4 -56.9 -38.7 5.4 25.5 21.6 17 22 A I H X S+ 0 0 14 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.903 112.2 45.9 -67.0 -45.1 3.7 22.5 23.2 18 23 A F H X S+ 0 0 4 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.873 117.6 43.5 -66.3 -38.9 6.5 22.0 25.8 19 24 A I H < S+ 0 0 92 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.966 118.2 42.8 -69.5 -54.6 6.7 25.8 26.6 20 25 A A H < S+ 0 0 90 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.772 131.2 24.5 -62.5 -29.7 2.9 26.4 26.8 21 26 A N H < S- 0 0 72 -4,-1.7 4,-0.2 -5,-0.2 -1,-0.2 0.527 109.9-108.0-115.5 -13.5 2.2 23.2 28.8 22 27 A G < - 0 0 16 -4,-1.9 4,-0.5 -5,-0.2 -3,-0.1 0.232 21.6-106.8 88.9 145.2 5.5 22.3 30.6 23 28 A Y S > S+ 0 0 25 2,-0.2 3,-0.9 1,-0.1 -1,-0.1 0.948 112.1 51.2 -69.8 -52.4 7.9 19.4 29.8 24 29 A E T 3 S+ 0 0 76 1,-0.2 -1,-0.1 -6,-0.1 -2,-0.1 0.899 114.6 42.1 -50.7 -52.9 7.1 17.0 32.8 25 30 A N T 3 S+ 0 0 97 -4,-0.2 2,-0.6 -7,-0.1 -1,-0.2 0.486 90.1 100.4 -80.1 -7.2 3.3 17.1 32.2 26 31 A T < - 0 0 0 -3,-0.9 2,-0.3 -4,-0.5 -8,-0.0 -0.747 58.4-164.5 -84.1 116.7 3.4 16.8 28.4 27 32 A T > - 0 0 77 -2,-0.6 4,-2.3 1,-0.1 3,-0.3 -0.693 33.3-114.8 -96.8 155.9 2.7 13.2 27.4 28 33 A L H > S+ 0 0 49 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.870 120.7 54.9 -58.7 -33.6 3.5 11.7 24.0 29 34 A A H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.869 106.7 49.3 -65.0 -40.0 -0.4 11.3 23.7 30 35 A F H > S+ 0 0 70 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.918 111.2 51.2 -62.9 -45.5 -0.9 15.0 24.4 31 36 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.934 112.4 43.3 -56.2 -52.7 1.7 15.9 21.8 32 37 A I H X>S+ 0 0 33 -4,-2.2 5,-2.2 2,-0.2 4,-1.2 0.834 114.8 50.3 -68.3 -36.0 0.2 13.8 18.9 33 38 A N H <5S+ 0 0 129 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.881 114.1 44.8 -65.0 -44.5 -3.4 14.9 19.8 34 39 A K H <5S+ 0 0 146 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.898 116.9 45.7 -69.1 -40.5 -2.3 18.6 19.7 35 40 A L H <5S- 0 0 30 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.680 107.2-125.5 -73.5 -19.6 -0.3 18.1 16.5 36 41 A G T <5 + 0 0 68 -4,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.741 69.6 120.3 75.2 26.5 -3.1 16.1 14.8 37 42 A I < - 0 0 44 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.751 61.7-110.3-119.2 166.3 -0.7 13.2 14.1 38 43 A S > - 0 0 69 -2,-0.2 4,-1.5 -3,-0.1 5,-0.1 -0.358 33.0-107.3 -84.6 169.5 -0.5 9.5 14.9 39 44 A K H > S+ 0 0 143 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.912 122.6 52.9 -60.1 -45.1 1.9 7.7 17.3 40 45 A G H > S+ 0 0 51 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.874 104.5 54.1 -58.1 -43.4 3.6 6.3 14.1 41 46 A A H 4 S+ 0 0 37 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.873 113.2 43.5 -61.2 -39.8 4.0 9.7 12.5 42 47 A L H >X S+ 0 0 4 -4,-1.5 4,-2.0 1,-0.2 3,-1.7 0.950 111.1 53.0 -69.8 -50.9 5.8 10.9 15.6 43 48 A Y H 3< S+ 0 0 115 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.587 96.9 69.3 -62.2 -14.0 8.0 7.7 15.9 44 49 A H T 3< S+ 0 0 121 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.796 115.0 24.7 -69.4 -32.7 9.1 8.2 12.3 45 50 A Y T <4 S+ 0 0 50 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.705 127.1 36.5-104.4 -26.1 11.1 11.3 13.4 46 51 A F < - 0 0 3 -4,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.957 48.5-160.3-135.2 146.7 11.8 10.7 17.1 47 52 A S S S+ 0 0 94 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.630 78.6 2.9 -95.2 -19.5 12.7 7.7 19.4 48 53 A S S > S- 0 0 45 1,-0.1 4,-1.9 -20,-0.0 -1,-0.2 -0.965 73.4 -98.2-157.4 171.8 11.6 9.4 22.7 49 54 A K H > S+ 0 0 52 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.839 121.3 56.5 -63.0 -36.4 10.2 12.4 24.5 50 55 A E H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.900 105.5 49.2 -63.1 -46.3 13.8 13.4 25.3 51 56 A E H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.891 108.5 53.9 -61.7 -40.8 14.7 13.5 21.5 52 57 A C H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.935 111.1 46.9 -56.3 -47.3 11.5 15.6 20.9 53 58 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.920 112.8 48.0 -59.6 -48.4 12.8 18.0 23.6 54 59 A D H X S+ 0 0 66 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.875 113.9 47.1 -60.8 -40.9 16.4 18.1 22.1 55 60 A A H X S+ 0 0 4 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.891 112.5 49.3 -67.1 -43.8 15.0 18.7 18.5 56 61 A A H X S+ 0 0 1 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.900 116.3 43.4 -58.6 -45.4 12.6 21.4 19.8 57 62 A I H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.941 113.0 50.8 -68.6 -51.5 15.6 23.1 21.6 58 63 A E H X S+ 0 0 99 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.921 114.1 44.0 -51.6 -52.1 18.1 22.7 18.7 59 64 A N H X S+ 0 0 34 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.867 114.8 48.9 -66.4 -37.4 15.7 24.2 16.2 60 65 A R H X S+ 0 0 74 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.928 118.0 39.5 -65.0 -49.2 14.6 27.1 18.5 61 66 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.886 113.6 54.3 -70.0 -41.8 18.2 28.0 19.4 62 67 A A H X S+ 0 0 31 -4,-3.2 4,-1.5 -5,-0.3 -2,-0.2 0.888 114.8 43.1 -57.2 -38.7 19.5 27.5 15.8 63 68 A F H X S+ 0 0 130 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.969 113.5 48.5 -69.1 -57.1 16.8 29.9 14.7 64 69 A F H X S+ 0 0 36 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.878 114.6 47.1 -51.1 -44.4 17.3 32.5 17.5 65 70 A S H X S+ 0 0 12 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.863 111.5 49.9 -69.6 -38.9 21.1 32.5 16.9 66 71 A N H X S+ 0 0 91 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.859 108.7 52.8 -67.8 -35.8 20.7 32.8 13.1 67 72 A E H X S+ 0 0 70 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.684 106.2 54.7 -71.4 -21.2 18.2 35.8 13.5 68 73 A V H X S+ 0 0 21 -4,-0.9 4,-0.9 -3,-0.2 -2,-0.2 0.904 109.5 46.8 -72.9 -45.5 20.9 37.5 15.7 69 74 A L H < S+ 0 0 91 -4,-1.7 -2,-0.2 1,-0.2 3,-0.2 0.853 114.6 46.1 -62.8 -40.4 23.5 37.2 12.9 70 75 A K H < S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.851 112.7 50.3 -72.3 -36.2 21.0 38.5 10.2 71 76 A E H < S+ 0 0 133 -4,-1.3 2,-0.2 -5,-0.1 -1,-0.2 0.611 82.9 118.1 -75.3 -14.6 19.9 41.4 12.5 72 77 A S < - 0 0 41 -4,-0.9 2,-0.2 -3,-0.2 3,-0.0 -0.379 68.8-125.2 -59.9 119.0 23.6 42.5 13.2 73 78 A E > - 0 0 76 -2,-0.2 3,-1.4 1,-0.1 2,-0.1 -0.517 29.8-106.8 -70.8 131.9 24.2 46.0 11.8 74 79 A E T 3 S+ 0 0 198 -2,-0.2 -1,-0.1 1,-0.2 0, 0.0 -0.365 97.4 10.1 -65.0 127.8 27.2 46.2 9.4 75 80 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.542 81.8 153.2 82.3 8.6 30.3 47.9 10.8 76 81 A L < - 0 0 53 -3,-1.4 -1,-0.3 1,-0.1 2,-0.0 -0.491 47.1-114.2 -65.7 140.8 29.3 48.1 14.5 77 82 A N > - 0 0 69 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.277 27.1-105.2 -72.0 164.1 32.2 48.1 16.9 78 83 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.814 117.1 56.2 -61.1 -36.7 32.7 45.2 19.3 79 84 A I H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 111.4 42.7 -63.6 -46.4 31.5 47.1 22.4 80 85 A E H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.886 113.5 52.2 -68.9 -37.2 28.2 47.9 20.8 81 86 A R H X S+ 0 0 37 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.899 111.3 48.1 -63.9 -39.8 27.8 44.4 19.4 82 87 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.925 111.8 48.0 -64.7 -50.1 28.5 42.9 22.9 83 88 A K H X S+ 0 0 63 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.931 114.0 48.5 -54.0 -49.0 26.0 45.3 24.6 84 89 A K H < S+ 0 0 86 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.886 113.3 45.3 -57.7 -48.2 23.3 44.4 21.9 85 90 A I H >< S+ 0 0 10 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.815 105.7 60.4 -71.6 -32.7 23.8 40.6 22.1 86 91 A L H 3< S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.864 103.1 52.8 -61.6 -36.0 23.8 40.6 26.0 87 92 A L T 3< S+ 0 0 158 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.534 87.7 111.4 -76.4 -7.5 20.2 42.1 25.9 88 93 A A < + 0 0 42 -3,-1.0 2,-0.2 -4,-0.3 -3,-0.0 -0.317 38.5 162.0 -68.5 150.4 19.0 39.2 23.5 89 94 A G 0 0 61 1,-0.1 -2,-0.0 -25,-0.1 -3,-0.0 -0.863 360.0 360.0-171.8 136.7 16.5 36.6 24.8 90 95 A I 0 0 101 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.833 360.0 360.0 -43.4 360.0 14.0 34.0 23.3 91 ! 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 92 107 A I 0 0 146 0, 0.0 2,-0.5 0, 0.0 -70,-0.0 0.000 360.0 360.0 360.0 152.8 7.0 24.5 37.9 93 108 A N + 0 0 94 4,-0.1 3,-0.0 5,-0.0 0, 0.0 -0.601 360.0 151.4-108.1 63.2 10.6 23.6 39.0 94 109 A S > - 0 0 10 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.590 60.8-103.4 -86.2 157.2 10.2 19.8 38.9 95 110 A P H > S+ 0 0 116 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.849 122.4 44.6 -48.3 -45.7 13.4 17.6 38.2 96 111 A S H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.924 112.6 51.3 -68.6 -44.7 12.4 16.9 34.5 97 112 A N H > S+ 0 0 20 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.846 106.8 54.5 -59.6 -36.1 11.4 20.6 33.9 98 113 A K H X S+ 0 0 78 -4,-2.4 4,-2.6 2,-0.2 -1,-0.3 0.851 106.0 53.5 -64.7 -33.5 14.8 21.6 35.3 99 114 A I H X S+ 0 0 61 -4,-1.2 4,-2.9 -3,-0.3 -2,-0.2 0.910 107.0 50.3 -66.7 -42.7 16.4 19.2 32.6 100 115 A F H X S+ 0 0 16 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.942 113.5 46.0 -58.7 -46.6 14.5 20.9 29.8 101 116 A H H X S+ 0 0 77 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.917 112.9 49.9 -62.0 -43.6 15.8 24.3 31.1 102 117 A Q H X S+ 0 0 102 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.912 108.9 51.5 -61.8 -47.0 19.3 22.9 31.5 103 118 A K H X S+ 0 0 33 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.864 110.8 49.6 -54.2 -41.7 19.3 21.5 27.9 104 119 A L H X S+ 0 0 11 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.882 109.6 50.1 -66.4 -44.4 18.2 24.9 26.7 105 120 A X H X S+ 0 0 17 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.937 112.0 48.8 -60.2 -45.2 21.0 26.7 28.6 106 121 A V H X S+ 0 0 61 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.873 112.3 47.5 -63.6 -39.6 23.6 24.3 27.2 107 122 A A H X S+ 0 0 17 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.886 111.0 50.9 -69.7 -42.3 22.3 24.8 23.6 108 123 A I H X S+ 0 0 14 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.935 112.0 48.4 -58.4 -46.0 22.2 28.6 23.9 109 124 A I H X S+ 0 0 17 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.943 113.9 45.5 -59.1 -49.3 25.9 28.5 25.2 110 125 A K H < S+ 0 0 150 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 118.0 42.3 -67.9 -37.7 27.0 26.2 22.4 111 126 A Y H < S+ 0 0 85 -4,-2.5 4,-0.3 1,-0.1 -1,-0.2 0.854 120.2 41.2 -76.5 -36.7 25.2 28.2 19.6 112 127 A F H >X S+ 0 0 6 -4,-2.8 4,-2.5 -5,-0.2 3,-0.8 0.741 93.3 82.3 -85.2 -20.7 26.1 31.7 20.9 113 128 A A H 3X S+ 0 0 2 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.855 92.2 48.5 -51.7 -48.3 29.8 31.0 21.9 114 129 A P H 3> S+ 0 0 74 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.788 111.2 51.5 -62.2 -29.7 31.2 31.5 18.3 115 130 A I H <> S+ 0 0 13 -3,-0.8 4,-2.1 -4,-0.3 -2,-0.2 0.951 114.6 41.6 -71.0 -50.7 29.2 34.7 17.9 116 131 A Y H X S+ 0 0 10 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.867 112.5 55.7 -61.9 -38.5 30.6 36.1 21.2 117 132 A A H X S+ 0 0 12 -4,-2.8 4,-2.9 -5,-0.3 -1,-0.2 0.911 108.2 48.8 -59.6 -41.5 34.1 34.7 20.3 118 133 A D H X S+ 0 0 99 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.907 111.5 48.4 -64.2 -45.0 33.9 36.7 17.1 119 134 A I H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.920 112.5 49.3 -59.9 -46.5 32.9 39.9 19.0 120 135 A I H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.934 111.4 49.0 -60.1 -46.6 35.8 39.3 21.4 121 136 A S H X S+ 0 0 52 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.862 109.1 52.9 -60.6 -40.0 38.2 38.8 18.5 122 137 A Q H X S+ 0 0 55 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.910 110.1 48.4 -59.6 -45.9 37.0 42.0 16.9 123 138 A G H X>S+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 4,-1.6 0.804 107.4 54.1 -64.6 -36.2 37.6 43.9 20.2 124 139 A N H <5S+ 0 0 53 -4,-2.1 -1,-0.2 4,-0.2 -2,-0.2 0.892 112.4 45.9 -60.6 -42.6 41.1 42.4 20.5 125 140 A E H <5S+ 0 0 168 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.891 112.5 48.5 -68.2 -42.6 41.7 43.8 17.0 126 141 A E H <5S- 0 0 77 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.787 113.5-120.7 -64.3 -29.7 40.1 47.2 17.7 127 142 A G T <5S+ 0 0 62 -4,-1.6 -3,-0.2 2,-0.2 -4,-0.1 0.573 84.6 111.4 95.5 17.0 42.3 47.3 20.9 128 143 A V S + 0 0 157 1,-0.1 4,-2.5 2,-0.1 5,-0.2 -0.793 68.0 179.8-120.0 81.7 41.4 32.7 24.6 134 149 A P H > S+ 0 0 33 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.885 80.5 40.1 -55.2 -47.9 38.4 34.2 22.7 135 150 A L H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 117.7 47.8 -69.0 -46.0 36.1 31.1 22.3 136 151 A E H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 113.3 49.0 -60.8 -41.6 36.8 29.8 25.9 137 152 A T H X S+ 0 0 16 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.902 109.0 52.7 -64.2 -42.5 36.2 33.3 27.3 138 153 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.928 111.5 46.2 -54.3 -47.4 32.9 33.5 25.3 139 154 A E H X S+ 0 0 64 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.862 111.3 53.3 -64.6 -37.9 31.8 30.1 26.8 140 155 A I H X S+ 0 0 85 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.946 110.2 46.3 -61.6 -49.4 32.9 31.3 30.3 141 156 A I H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.902 113.5 48.4 -59.7 -48.0 30.8 34.5 30.0 142 157 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.851 108.0 55.1 -63.0 -38.6 27.7 32.6 28.7 143 158 A T H X>S+ 0 0 59 -4,-2.1 4,-1.7 2,-0.2 5,-0.9 0.913 110.8 45.9 -59.6 -43.7 28.0 30.0 31.5 144 159 A L H <>S+ 0 0 49 -4,-1.9 5,-2.1 3,-0.2 -2,-0.2 0.928 114.0 47.1 -66.6 -42.4 27.9 32.9 34.0 145 160 A S H <5S+ 0 0 26 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.799 122.3 35.9 -71.3 -24.8 24.9 34.6 32.3 146 161 A H H <5S+ 0 0 40 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.535 133.1 20.4-106.5 -10.6 23.0 31.3 32.0 147 162 A F T ><5S+ 0 0 51 -4,-1.7 3,-1.4 -3,-0.2 7,-0.3 0.640 126.9 41.7-118.6 -58.8 23.9 29.4 35.2 148 163 A Y T 3 - 0 0 24 -3,-1.4 4,-1.8 -6,-0.2 3,-0.4 -0.717 48.8-173.0 -85.8 98.0 19.7 32.0 36.9 151 166 A E H >>S+ 0 0 70 -2,-1.1 5,-1.5 1,-0.2 4,-1.2 0.783 83.2 54.2 -64.8 -28.5 17.7 32.7 40.1 152 167 A D H 45S+ 0 0 84 3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.825 105.6 53.4 -71.8 -35.6 15.6 29.6 39.8 153 168 A L H 45S+ 0 0 65 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.983 125.4 23.7 -60.3 -56.0 18.6 27.3 39.4 154 169 A F H <5S- 0 0 97 -4,-1.8 -2,-0.2 -7,-0.3 -1,-0.2 0.488 101.2-124.3 -89.1 -5.2 20.2 28.6 42.7 155 170 A K T <5 - 0 0 131 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.917 44.8-176.3 56.9 44.8 17.0 29.9 44.4 156 171 A W < - 0 0 75 -5,-1.5 2,-0.2 -6,-0.2 -1,-0.2 -0.443 30.6-102.8 -70.1 148.1 18.7 33.3 44.7 157 172 A K >> - 0 0 129 1,-0.1 3,-1.9 -2,-0.1 4,-0.6 -0.530 22.4-128.1 -72.8 140.4 16.7 36.0 46.6 158 173 A K G >4 S+ 0 0 170 1,-0.3 3,-0.7 -2,-0.2 4,-0.3 0.812 110.3 56.3 -55.8 -37.9 15.0 38.6 44.3 159 174 A E G 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.577 103.3 55.3 -73.8 -12.2 16.6 41.4 46.4 160 175 A D G <> S+ 0 0 65 -3,-1.9 4,-1.4 1,-0.1 3,-0.5 0.574 84.1 84.7 -92.4 -12.8 20.1 39.9 45.7 161 176 A X H S+ 0 0 92 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.896 107.0 47.0 -62.7 -43.1 20.9 43.6 41.5 163 178 A L H > S+ 0 0 121 -3,-0.5 4,-2.8 -4,-0.2 -2,-0.2 0.831 109.9 54.0 -67.4 -34.1 24.3 42.7 43.2 164 179 A K H X S+ 0 0 32 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.863 108.5 48.4 -68.2 -38.1 24.7 39.6 41.0 165 180 A L H X S+ 0 0 80 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.895 113.4 47.7 -68.0 -41.9 24.3 41.7 37.8 166 181 A T H X S+ 0 0 83 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.930 113.8 46.9 -61.7 -48.2 26.8 44.3 39.1 167 182 A A H X S+ 0 0 33 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.846 110.8 53.2 -63.0 -38.3 29.2 41.4 40.1 168 183 A F H X S+ 0 0 14 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.922 110.1 47.0 -60.4 -47.0 28.7 39.9 36.6 169 184 A K H X S+ 0 0 88 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.893 111.3 51.5 -62.7 -41.6 29.5 43.2 34.9 170 185 A E H X S+ 0 0 103 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.915 111.4 47.6 -58.3 -46.9 32.6 43.6 37.1 171 186 A T H X S+ 0 0 56 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.925 109.6 53.0 -62.5 -45.1 33.7 40.1 36.1 172 187 A L H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 6,-0.2 0.917 108.6 50.7 -57.1 -46.4 33.1 40.8 32.4 173 188 A I H X>S+ 0 0 17 -4,-2.4 5,-1.8 1,-0.2 4,-1.0 0.912 113.8 44.1 -58.5 -45.3 35.3 44.0 32.7 174 189 A K H <5S+ 0 0 130 -4,-2.1 3,-0.3 2,-0.2 -2,-0.2 0.919 114.9 47.6 -66.2 -46.1 38.2 42.0 34.3 175 190 A I H <5S+ 0 0 51 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.825 118.7 40.0 -63.1 -40.3 38.0 39.0 31.9 176 191 A L H <5S- 0 0 0 -4,-2.3 -46,-2.1 -5,-0.2 -1,-0.2 0.615 100.9-131.0 -84.1 -15.0 37.8 41.3 28.8 177 192 A D T <5 + 0 0 98 -4,-1.0 -3,-0.2 -3,-0.3 2,-0.2 0.915 55.5 157.2 54.0 47.5 40.4 43.7 30.1 178 193 A A < - 0 0 9 -5,-1.8 -1,-0.2 -6,-0.2 -49,-0.1 -0.521 50.2 -83.1 -96.7 163.6 37.9 46.5 29.1 179 194 A D > - 0 0 118 -51,-0.3 3,-1.9 -2,-0.2 4,-0.2 -0.390 40.6-117.1 -64.2 145.1 37.6 50.0 30.3 180 195 A E T 3 S+ 0 0 148 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.766 112.5 53.5 -61.2 -24.9 35.6 50.4 33.6 181 196 A D T > S+ 0 0 113 1,-0.2 3,-1.2 2,-0.1 -1,-0.3 0.351 75.6 109.3 -90.4 7.2 32.8 52.5 31.9 182 197 A T T < S+ 0 0 9 -3,-1.9 -1,-0.2 1,-0.3 2,-0.2 0.835 81.4 39.6 -53.0 -41.9 32.2 49.9 29.1 183 198 A F T 3 0 0 15 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 -0.306 360.0 360.0-109.5 47.7 28.7 48.7 30.4 184 199 A D < 0 0 155 -3,-1.2 -3,-0.0 -2,-0.2 -1,-0.0 -0.894 360.0 360.0-124.1 360.0 27.3 52.1 31.6