==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 31-OCT-08 3F3X . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, MARR FAMILY, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR A.DI FIORE,G.DE SIMONE . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 79.1 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 . 11 7.9 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 0.7 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 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 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 145 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 70.1 22.8 82.6 -1.3 2 2 A Q >> - 0 0 149 1,-0.1 4,-1.0 4,-0.0 3,-0.8 -0.082 360.0 -84.6 -83.5-167.6 19.6 82.5 -3.3 3 3 A K H 3> S+ 0 0 163 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.842 125.1 68.1 -70.3 -30.7 16.9 80.0 -2.7 4 4 A I H 34 S+ 0 0 135 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.797 107.5 40.0 -56.6 -29.7 18.6 77.5 -4.9 5 5 A D H <> S+ 0 0 72 -3,-0.8 4,-2.0 2,-0.1 -1,-0.3 0.668 97.8 76.8 -94.2 -21.0 21.3 77.3 -2.2 6 6 A E H X S+ 0 0 103 -4,-1.0 4,-1.8 -3,-0.3 -2,-0.2 0.869 92.1 52.4 -59.3 -40.6 19.1 77.4 0.9 7 7 A K H X S+ 0 0 168 -4,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.902 109.5 48.2 -65.9 -40.0 18.0 73.8 0.7 8 8 A L H > S+ 0 0 108 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.897 110.7 51.9 -66.0 -37.8 21.5 72.4 0.4 9 9 A Q H X S+ 0 0 78 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.861 103.8 58.5 -65.8 -32.9 22.5 74.6 3.4 10 10 A L H X S+ 0 0 83 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.932 109.6 43.7 -59.7 -45.0 19.6 73.1 5.2 11 11 A M H X S+ 0 0 76 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.859 109.3 56.3 -69.5 -36.3 21.1 69.7 4.7 12 12 A N H X S+ 0 0 66 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.899 110.8 45.2 -61.9 -39.9 24.6 70.9 5.6 13 13 A T H X S+ 0 0 60 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.904 109.9 53.3 -70.5 -41.9 23.3 72.1 8.9 14 14 A I H X S+ 0 0 58 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.890 105.9 56.0 -59.9 -37.9 21.4 68.9 9.5 15 15 A A H X S+ 0 0 32 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.914 109.2 45.4 -59.9 -44.6 24.6 67.0 8.9 16 16 A K H X S+ 0 0 130 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.902 109.9 54.2 -65.8 -44.1 26.4 68.9 11.6 17 17 A I H X S+ 0 0 104 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.916 110.6 46.9 -58.2 -44.8 23.5 68.6 14.1 18 18 A Y H X S+ 0 0 131 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.959 112.9 47.2 -62.7 -53.0 23.5 64.8 13.7 19 19 A R H X S+ 0 0 176 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.906 118.8 42.0 -55.9 -43.9 27.3 64.4 14.1 20 20 A G H X S+ 0 0 39 -4,-2.8 4,-1.4 -5,-0.2 -2,-0.2 0.944 118.7 42.8 -70.4 -47.9 27.3 66.6 17.1 21 21 A S H X S+ 0 0 29 -4,-3.1 4,-3.2 -5,-0.3 -2,-0.2 0.882 109.8 55.8 -67.9 -39.3 24.2 65.2 18.8 22 22 A I H X S+ 0 0 35 -4,-3.2 4,-3.1 -5,-0.3 5,-0.3 0.864 105.2 53.4 -62.9 -35.2 25.0 61.6 18.1 23 23 A K H X S+ 0 0 164 -4,-1.1 4,-2.0 -5,-0.3 -1,-0.2 0.927 113.7 42.7 -64.2 -43.1 28.4 61.9 19.9 24 24 A E H X S+ 0 0 90 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.914 115.3 49.9 -68.3 -42.3 26.6 63.4 22.9 25 25 A F H X S+ 0 0 17 -4,-3.2 4,-2.8 1,-0.2 5,-0.4 0.949 114.4 42.8 -60.9 -52.4 23.8 60.8 22.7 26 26 A N H X S+ 0 0 60 -4,-3.1 4,-2.0 2,-0.2 5,-0.2 0.851 114.8 51.5 -64.1 -35.1 26.2 57.8 22.5 27 27 A N H X S+ 0 0 73 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.958 114.9 41.8 -65.7 -50.6 28.5 59.3 25.1 28 28 A R H X S+ 0 0 98 -4,-2.7 4,-2.4 2,-0.2 5,-0.4 0.953 121.4 39.0 -61.5 -57.4 25.6 59.8 27.6 29 29 A L H X>S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 6,-1.7 0.862 117.6 52.8 -63.2 -35.7 23.8 56.5 27.0 30 30 A G H X5S+ 0 0 28 -4,-2.0 4,-1.3 -5,-0.4 -2,-0.2 0.950 114.9 37.8 -65.5 -49.9 27.1 54.7 26.7 31 31 A K H <5S+ 0 0 164 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.864 126.2 36.6 -72.9 -34.9 28.5 55.8 30.0 32 32 A L H <5S+ 0 0 116 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.822 139.9 7.4 -87.3 -32.9 25.3 55.7 32.0 33 33 A M H <5S- 0 0 37 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.433 88.7-118.4-131.5 -0.1 23.6 52.6 30.5 34 34 A N S < - 0 0 35 -2,-0.3 4,-1.7 -7,-0.1 5,-0.1 -0.639 31.1-106.0-112.1 173.1 23.9 53.4 22.0 37 37 A Y H > S+ 0 0 77 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.877 123.3 52.6 -67.1 -37.3 21.4 55.7 20.3 38 38 A L H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.863 104.7 56.5 -65.6 -35.4 20.6 53.0 17.9 39 39 A D H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 106.8 49.6 -59.9 -45.6 19.9 50.7 20.8 40 40 A F H X S+ 0 0 21 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.916 109.7 51.0 -59.2 -45.7 17.4 53.2 22.1 41 41 A S H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.903 109.8 49.2 -59.9 -43.8 15.7 53.4 18.7 42 42 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.921 111.6 49.3 -63.6 -43.7 15.3 49.6 18.5 43 43 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.924 111.4 49.9 -62.3 -42.7 13.9 49.5 21.9 44 44 A K H X S+ 0 0 97 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.953 112.7 45.3 -61.5 -49.7 11.4 52.2 21.1 45 45 A A H >X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 3,-0.6 0.895 116.2 45.1 -61.7 -42.8 10.2 50.6 17.9 46 46 A T H 3< S+ 0 0 2 -4,-2.4 50,-0.5 1,-0.2 -1,-0.2 0.755 101.9 66.0 -74.6 -22.7 9.8 47.2 19.4 47 47 A S H 3< S+ 0 0 28 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.789 101.1 52.9 -66.8 -24.5 8.1 48.5 22.5 48 48 A E H << S- 0 0 89 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.899 135.3 -44.3 -74.3 -44.2 5.3 49.5 20.1 49 49 A E S < S- 0 0 112 -4,-1.1 -1,-0.4 45,-0.1 45,-0.1 -0.901 79.1 -64.0-178.5 158.4 5.0 45.9 18.7 50 50 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 45,-0.2 -0.304 56.9-157.9 -56.2 138.5 7.4 43.2 17.5 51 51 A R E -A 94 0A 29 43,-2.1 43,-3.1 -9,-0.1 -5,-0.1 -0.958 12.7-123.2-126.0 142.4 9.4 44.4 14.5 52 52 A S E > -A 93 0A 29 -2,-0.4 4,-2.0 41,-0.2 41,-0.2 -0.342 29.7-113.5 -75.4 161.6 11.2 42.6 11.7 53 53 A M H > S+ 0 0 16 39,-1.4 4,-2.2 1,-0.2 5,-0.2 0.869 119.6 51.7 -63.1 -37.0 14.9 43.3 11.1 54 54 A V H > S+ 0 0 75 38,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.906 106.7 53.6 -66.0 -42.3 14.0 44.8 7.7 55 55 A Y H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.918 110.2 47.9 -58.2 -44.3 11.5 47.0 9.3 56 56 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.926 111.9 46.7 -64.6 -47.4 14.1 48.3 11.8 57 57 A A H X>S+ 0 0 12 -4,-2.2 5,-1.5 1,-0.2 4,-0.8 0.901 114.9 50.1 -60.5 -40.4 16.8 49.0 9.2 58 58 A N H <5S+ 0 0 119 -4,-2.4 3,-0.3 -5,-0.2 -2,-0.2 0.896 111.7 45.6 -64.2 -45.8 14.1 50.7 7.0 59 59 A R H <5S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.869 122.6 35.1 -70.0 -36.9 12.8 53.0 9.8 60 60 A Y H <5S- 0 0 51 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.363 102.9-124.4-102.1 7.6 16.1 54.1 11.1 61 61 A F T <5 + 0 0 135 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.891 66.4 126.5 52.2 47.6 18.0 54.2 7.8 62 62 A V < - 0 0 48 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.876 65.6 -92.6-127.1 161.4 20.8 51.8 8.9 63 63 A T > - 0 0 86 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.306 31.1-117.6 -70.3 157.7 22.1 48.7 7.2 64 64 A Q H > S+ 0 0 106 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.819 119.1 59.0 -64.6 -27.7 20.7 45.3 8.2 65 65 A S H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 104.7 48.7 -66.4 -40.1 24.2 44.5 9.3 66 66 A A H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.915 113.2 47.1 -65.4 -43.1 24.1 47.5 11.7 67 67 A I H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.935 112.1 50.3 -63.1 -47.0 20.7 46.3 13.1 68 68 A T H X S+ 0 0 52 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.897 110.2 49.7 -58.8 -43.4 21.9 42.8 13.5 69 69 A A H X S+ 0 0 59 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.921 113.7 46.0 -62.3 -44.5 25.0 43.9 15.4 70 70 A A H X S+ 0 0 11 -4,-2.1 4,-2.4 1,-0.2 3,-0.3 0.930 112.9 49.0 -64.2 -47.3 22.9 46.1 17.7 71 71 A V H X S+ 0 0 0 -4,-3.1 4,-3.3 1,-0.2 5,-0.3 0.856 103.0 62.4 -62.4 -35.7 20.3 43.3 18.3 72 72 A D H X S+ 0 0 76 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.933 110.6 39.1 -55.9 -45.5 23.1 40.8 19.0 73 73 A K H X S+ 0 0 141 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.924 115.4 51.7 -71.3 -44.2 24.1 42.9 22.0 74 74 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 6,-0.8 0.901 112.4 46.1 -59.2 -42.5 20.6 43.8 23.1 75 75 A E H ><5S+ 0 0 64 -4,-3.3 3,-1.4 1,-0.2 -1,-0.2 0.892 109.3 54.4 -69.0 -37.1 19.5 40.2 23.0 76 76 A A H 3<5S+ 0 0 89 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.839 108.7 50.3 -63.3 -31.9 22.7 39.1 24.9 77 77 A K T 3<5S- 0 0 49 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.440 116.8-117.6 -84.3 -2.7 21.7 41.7 27.6 78 78 A G T < 5S+ 0 0 32 -3,-1.4 22,-0.4 2,-0.2 21,-0.3 0.733 82.7 119.0 73.2 22.4 18.2 40.3 27.7 79 79 A L S -B 88 0A 48 6,-2.2 3,-1.5 3,-0.6 6,-0.2 -0.515 29.2-141.1 -65.1 124.4 7.4 35.3 12.4 86 86 A S T 3 S+ 0 0 114 -2,-0.3 -1,-0.2 1,-0.3 3,-0.2 0.494 101.6 44.0 -67.8 -2.9 4.5 32.9 13.4 87 87 A K T 3 S+ 0 0 194 1,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.310 133.0 16.3-121.2 3.5 3.0 33.4 9.9 88 88 A D E X - B 0 85A 80 -3,-1.5 3,-2.8 3,-0.1 -3,-0.6 -0.356 64.7-165.3-176.2 80.1 6.2 33.1 8.0 89 89 A R E 3 S+ 0 0 174 1,-0.3 -3,-0.1 -5,-0.2 0, 0.0 0.432 82.2 80.5 -55.8 3.2 9.1 31.6 10.0 90 90 A R E 3 S+ 0 0 214 -5,-0.1 2,-0.4 -6,-0.1 -1,-0.3 0.665 81.4 77.0 -83.6 -17.6 11.3 32.9 7.2 91 91 A I E < S- 0 0 61 -3,-2.8 -6,-2.2 -6,-0.2 2,-0.5 -0.809 77.1-136.3-100.7 132.3 11.2 36.3 8.8 92 92 A V E - B 0 84A 65 -2,-0.4 -39,-1.4 -8,-0.2 2,-0.4 -0.732 22.6-163.9 -87.1 126.4 13.2 37.3 11.9 93 93 A I E -AB 52 83A 19 -10,-3.5 -10,-2.8 -2,-0.5 2,-0.6 -0.899 11.0-144.6-113.5 141.2 11.2 39.3 14.4 94 94 A V E -AB 51 82A 0 -43,-3.1 -43,-2.1 -2,-0.4 2,-0.4 -0.914 18.2-172.6-106.6 121.7 12.6 41.4 17.3 95 95 A E E - B 0 81A 68 -14,-2.8 -14,-2.0 -2,-0.6 2,-0.1 -0.944 20.8-127.1-116.2 134.9 10.4 41.4 20.5 96 96 A I E - B 0 80A 8 -50,-0.5 -16,-0.3 -2,-0.4 -17,-0.1 -0.463 22.4-139.3 -77.7 151.9 11.1 43.6 23.5 97 97 A T > - 0 0 8 -18,-2.1 4,-2.3 -2,-0.1 5,-0.2 -0.663 27.6-103.7-106.4 165.0 11.4 41.9 26.9 98 98 A P H > S+ 0 0 107 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.894 126.2 50.6 -55.5 -38.2 10.0 43.2 30.2 99 99 A K H > S+ 0 0 113 -21,-0.3 4,-2.5 1,-0.2 5,-0.2 0.902 107.6 53.8 -65.6 -39.8 13.5 44.2 31.1 100 100 A G H > S+ 0 0 0 -22,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.894 105.4 52.6 -61.3 -40.8 13.9 46.0 27.8 101 101 A R H X S+ 0 0 130 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.883 110.4 48.8 -63.0 -37.0 10.7 48.0 28.5 102 102 A Q H X S+ 0 0 120 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.915 111.9 47.7 -69.0 -42.8 12.1 49.1 31.8 103 103 A V H X S+ 0 0 21 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.887 107.7 56.8 -65.9 -38.0 15.5 50.1 30.2 104 104 A L H X S+ 0 0 20 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.903 103.1 54.2 -59.4 -41.5 13.7 52.0 27.5 105 105 A L H X S+ 0 0 126 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.915 112.9 43.4 -58.4 -43.1 11.9 54.1 30.1 106 106 A E H X S+ 0 0 97 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.924 114.1 48.6 -68.9 -46.5 15.2 55.1 31.6 107 107 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.898 110.5 52.6 -61.3 -40.4 16.9 55.7 28.2 108 108 A N H X S+ 0 0 67 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.916 109.3 49.5 -60.4 -44.2 14.0 57.8 27.1 109 109 A E H X S+ 0 0 88 -4,-1.8 4,-2.2 -5,-0.2 5,-0.3 0.917 111.2 49.3 -61.1 -45.8 14.4 59.9 30.3 110 110 A V H X S+ 0 0 31 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.941 117.1 39.7 -59.6 -50.8 18.1 60.4 29.8 111 111 A L H X S+ 0 0 10 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.890 114.4 52.8 -68.0 -40.9 17.7 61.5 26.1 112 112 A R H X S+ 0 0 126 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.910 112.9 43.5 -61.6 -46.2 14.6 63.6 26.7 113 113 A N H X S+ 0 0 76 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.900 113.1 52.8 -67.2 -40.8 16.2 65.6 29.5 114 114 A L H X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.942 114.4 41.0 -60.1 -49.5 19.5 65.9 27.6 115 115 A V H X S+ 0 0 49 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.910 114.8 51.8 -66.7 -41.9 17.7 67.3 24.5 116 116 A N H < S+ 0 0 112 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.922 110.2 49.8 -59.6 -43.5 15.4 69.5 26.6 117 117 A E H >< S+ 0 0 103 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.937 115.6 42.3 -60.8 -46.6 18.4 70.9 28.5 118 118 A M H 3< S+ 0 0 65 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.898 122.1 36.2 -69.3 -41.9 20.2 71.7 25.3 119 119 A L T >< S+ 0 0 97 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 -0.041 75.8 129.5-104.7 30.4 17.3 73.1 23.3 120 120 A S T < S+ 0 0 87 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.835 76.3 41.6 -52.8 -40.6 15.6 74.8 26.1 121 121 A D T 3 S+ 0 0 127 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.198 84.8 117.6 -97.3 17.5 15.2 78.2 24.3 122 122 A V < - 0 0 54 -3,-1.8 3,-0.2 2,-0.0 2,-0.2 -0.757 45.1-168.7 -88.9 121.1 14.3 76.8 20.9 123 123 A E + 0 0 138 -2,-0.6 5,-0.1 1,-0.2 -2,-0.0 -0.505 59.2 43.3-102.5 173.3 10.8 78.0 19.8 124 124 A N > + 0 0 104 -2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.891 64.1 153.7 59.5 41.9 8.5 76.9 16.9 125 125 A V H > + 0 0 89 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 65.9 54.2 -65.6 -46.8 9.3 73.2 17.6 126 126 A E H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 110.4 45.9 -55.2 -47.4 6.0 71.9 16.2 127 127 A E H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 112.6 50.5 -64.7 -39.5 6.6 73.7 12.8 128 128 A L H X S+ 0 0 93 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.888 108.5 54.4 -64.7 -37.7 10.2 72.6 12.7 129 129 A L H X S+ 0 0 93 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.906 108.8 46.5 -62.9 -44.2 8.9 69.0 13.3 130 130 A E H X S+ 0 0 114 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.927 113.2 49.6 -65.7 -44.5 6.5 69.1 10.4 131 131 A G H X S+ 0 0 36 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.941 113.2 46.1 -58.9 -48.4 9.1 70.5 8.1 132 132 A L H X S+ 0 0 86 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.894 110.5 53.0 -63.1 -40.4 11.7 67.9 9.1 133 133 A N H X S+ 0 0 96 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.930 110.5 47.8 -61.9 -42.5 9.1 65.1 8.8 134 134 A K H X S+ 0 0 132 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.944 110.8 51.4 -63.0 -45.7 8.3 66.2 5.2 135 135 A I H X S+ 0 0 48 -4,-2.5 4,-1.5 1,-0.2 3,-0.4 0.934 108.3 52.2 -56.2 -46.8 12.0 66.5 4.3 136 136 A L H < S+ 0 0 89 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.900 106.4 53.1 -57.6 -42.1 12.6 62.9 5.6 137 137 A S H < S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.833 108.8 50.3 -63.3 -31.8 9.7 61.5 3.5 138 138 A R H < 0 0 178 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.757 360.0 360.0 -77.2 -25.2 11.3 63.1 0.4 139 139 A I < 0 0 126 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.948 360.0 360.0 -63.8 360.0 14.7 61.7 1.1