==== 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 25-FEB-05 1YYV . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.OSIPIUK,P.QUARTEY,L.LEZONDRA,S.MOY,F.COLLART,A.JOACHIMIAK, . 226 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 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 . 20 8.8 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 . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 47.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 2 0 5 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 1 0 0 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 . 0 2 0 0 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 ANTIPARALLEL 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 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 9 A Q 0 0 126 0, 0.0 2,-1.2 0, 0.0 221,-0.1 0.000 360.0 360.0 360.0 101.5 17.3 51.2 40.2 2 10 A L + 0 0 120 220,-0.1 2,-0.2 221,-0.0 218,-0.0 -0.210 360.0 125.6 -88.8 52.9 17.1 49.4 43.6 3 11 A R - 0 0 178 -2,-1.2 2,-0.3 215,-0.1 0, 0.0 -0.579 68.6-103.0 -96.6 161.1 13.3 49.6 43.8 4 12 A E - 0 0 133 -2,-0.2 212,-0.2 214,-0.1 211,-0.1 -0.611 52.8-102.9 -75.8 147.0 10.8 46.8 44.3 5 13 A G - 0 0 9 210,-2.4 2,-0.3 -2,-0.3 -1,-0.1 -0.276 21.5-155.3 -76.0 161.9 9.1 46.0 41.1 6 14 A N > - 0 0 77 3,-0.1 3,-2.1 1,-0.1 6,-0.3 -0.842 2.0-169.0-133.1 99.3 5.8 46.8 39.8 7 15 A L T 3 S+ 0 0 2 -2,-0.3 4,-0.1 1,-0.3 5,-0.1 0.729 88.5 62.5 -56.4 -24.9 4.5 44.2 37.1 8 16 A F T 3 S+ 0 0 42 151,-0.1 152,-1.9 2,-0.1 2,-0.5 0.623 86.3 94.2 -75.2 -13.8 1.6 46.6 36.3 9 17 A A S X S- 0 0 37 -3,-2.1 3,-2.0 150,-0.1 6,-0.2 -0.687 85.5-116.9 -89.0 122.6 4.2 49.2 35.1 10 18 A E T 3 S+ 0 0 119 -2,-0.5 151,-0.1 1,-0.3 -2,-0.1 -0.332 99.0 7.7 -48.7 125.3 5.1 49.3 31.5 11 19 A Q T 3 S+ 0 0 169 1,-0.2 -1,-0.3 149,-0.2 -4,-0.1 0.629 80.9 148.9 66.4 20.8 8.8 48.5 31.2 12 20 A C X - 0 0 17 -3,-2.0 3,-1.8 -6,-0.3 4,-0.4 -0.675 53.6-128.1 -70.8 134.2 9.6 47.5 34.9 13 21 A P T 3> S+ 0 0 30 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.626 101.1 80.1 -63.4 -9.6 12.3 44.9 34.6 14 22 A S H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.806 84.9 62.7 -63.7 -27.8 10.3 42.5 36.8 15 23 A R H <> S+ 0 0 9 -3,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.864 103.7 47.5 -62.9 -35.8 8.3 41.7 33.6 16 24 A E H > S+ 0 0 77 -4,-0.4 4,-2.8 -3,-0.4 -2,-0.2 0.930 111.2 48.8 -71.4 -48.7 11.6 40.3 32.1 17 25 A V H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.920 111.2 52.3 -53.3 -44.6 12.4 38.2 35.2 18 26 A L H X S+ 0 0 6 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.933 109.5 48.7 -60.3 -46.0 8.8 37.0 35.1 19 27 A K H X S+ 0 0 136 -4,-2.1 4,-1.4 1,-0.2 3,-0.5 0.928 111.2 50.2 -55.7 -50.4 9.3 36.0 31.4 20 28 A H H < S+ 0 0 33 -4,-2.8 3,-0.2 1,-0.2 -1,-0.2 0.905 114.1 43.0 -58.0 -40.2 12.6 34.2 32.1 21 29 A V H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.598 121.7 38.1 -89.0 -10.4 11.2 32.1 35.1 22 30 A T H < S+ 0 0 11 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.401 82.9 115.9-123.2 3.4 7.9 31.1 33.5 23 31 A S S X S- 0 0 40 -4,-1.4 4,-2.2 -3,-0.2 5,-0.2 -0.260 85.1-102.1 -58.1 160.2 8.9 30.6 29.8 24 32 A R H > S+ 0 0 122 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.828 122.7 38.3 -66.2 -30.8 8.4 27.0 28.9 25 33 A W H > S+ 0 0 34 2,-0.2 4,-2.6 3,-0.1 -1,-0.2 0.848 111.9 57.9 -86.0 -32.5 12.1 26.1 29.2 26 34 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.892 106.2 49.6 -62.0 -40.7 12.7 28.3 32.3 27 35 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.895 112.2 47.3 -62.2 -43.8 10.1 26.5 34.3 28 36 A L H X S+ 0 0 4 -4,-0.7 4,-2.8 -5,-0.2 -2,-0.2 0.916 112.0 49.8 -71.3 -43.1 11.5 23.1 33.4 29 37 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.940 113.2 47.1 -54.8 -49.5 15.1 24.2 34.2 30 38 A L H < S+ 0 0 0 -4,-2.4 4,-0.2 -5,-0.2 -2,-0.2 0.803 114.9 45.0 -67.8 -30.4 13.9 25.5 37.6 31 39 A V H >< S+ 0 0 30 -4,-2.0 3,-1.2 -5,-0.1 4,-0.3 0.933 113.1 51.3 -78.3 -44.4 11.9 22.5 38.5 32 40 A A H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 4,-0.2 0.881 103.0 57.0 -58.7 -44.8 14.6 20.0 37.4 33 41 A L G >< S+ 0 0 7 -4,-2.2 3,-1.2 1,-0.3 51,-0.4 0.608 85.5 80.6 -67.5 -8.0 17.5 21.6 39.4 34 42 A R G < S+ 0 0 119 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.781 89.9 57.0 -66.6 -24.8 15.5 21.2 42.6 35 43 A D G < S- 0 0 114 -3,-1.8 -1,-0.3 -4,-0.3 2,-0.2 0.613 123.3 -96.4 -77.3 -16.4 16.8 17.6 42.4 36 44 A G < - 0 0 31 -3,-1.2 -1,-0.3 -4,-0.2 46,-0.1 -0.774 69.5 -7.3 130.7-175.2 20.4 18.9 42.3 37 45 A T - 0 0 78 -2,-0.2 2,-0.3 -3,-0.1 46,-0.2 -0.245 57.6-174.2 -53.2 135.4 23.2 19.7 39.9 38 46 A H E -A 82 0A 9 44,-2.1 44,-3.6 4,-0.0 2,-0.2 -0.975 19.7-131.7-129.5 144.6 22.6 18.8 36.2 39 47 A R E >> -A 81 0A 96 -2,-0.3 4,-1.8 42,-0.3 3,-0.8 -0.500 37.9-100.9 -81.3 160.1 24.9 19.0 33.2 40 48 A F H 3> S+ 0 0 41 40,-2.1 4,-2.4 1,-0.2 5,-0.2 0.870 125.5 53.9 -46.4 -42.2 23.7 20.7 30.1 41 49 A S H 3> S+ 0 0 38 1,-0.2 4,-0.8 39,-0.2 -1,-0.2 0.761 104.3 54.5 -70.5 -28.8 23.1 17.2 28.6 42 50 A D H <> S+ 0 0 54 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.888 111.7 43.3 -69.6 -44.2 21.0 16.1 31.5 43 51 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 3,-0.3 0.966 112.3 53.0 -61.8 -52.8 18.6 19.1 31.2 44 52 A R H < S+ 0 0 107 -4,-2.4 6,-0.3 1,-0.2 -1,-0.2 0.765 110.3 51.3 -53.6 -28.1 18.5 18.7 27.4 45 53 A R H < S+ 0 0 189 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.887 109.7 44.5 -77.9 -46.7 17.5 15.1 28.1 46 54 A X H < S+ 0 0 120 -4,-1.8 2,-1.2 -3,-0.3 -2,-0.2 0.775 105.4 68.5 -67.6 -29.8 14.6 15.6 30.5 47 55 A X S >< S- 0 0 1 -4,-2.0 3,-1.6 -5,-0.2 -1,-0.2 -0.697 75.6-161.9-101.9 81.2 13.2 18.4 28.3 48 56 A G T 3 S+ 0 0 27 -2,-1.2 3,-0.1 72,-0.8 -3,-0.1 -0.442 75.0 28.1 -64.4 128.6 11.9 16.7 25.2 49 57 A G T 3 S+ 0 0 46 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.278 86.3 121.6 104.5 -10.0 11.5 19.2 22.4 50 58 A V < - 0 0 3 -3,-1.6 -1,-0.3 -6,-0.3 2,-0.1 -0.722 52.9-139.8 -87.7 132.4 14.1 21.9 23.4 51 59 A S > - 0 0 56 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.447 24.6-111.5 -76.0 162.0 16.9 22.8 21.0 52 60 A E H > S+ 0 0 137 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.930 116.2 52.6 -51.1 -50.4 20.5 23.4 22.2 53 61 A X H > S+ 0 0 202 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 110.1 44.2 -61.1 -43.5 20.2 27.0 21.3 54 62 A X H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.828 114.2 50.6 -74.8 -33.7 17.0 27.8 23.2 55 63 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.950 110.5 49.1 -65.5 -47.9 18.2 25.8 26.2 56 64 A A H X S+ 0 0 48 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.894 111.2 52.4 -55.9 -37.1 21.5 27.8 26.1 57 65 A Q H X S+ 0 0 118 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.926 111.8 42.2 -73.0 -44.3 19.4 30.9 25.9 58 66 A S H X S+ 0 0 14 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.919 113.4 53.6 -60.6 -45.6 17.2 30.2 29.0 59 67 A L H X S+ 0 0 2 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.900 110.7 47.7 -60.4 -41.3 20.2 29.0 31.0 60 68 A Q H X S+ 0 0 100 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.891 110.6 48.7 -64.7 -45.5 22.0 32.2 30.3 61 69 A A H X S+ 0 0 14 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.892 113.9 48.7 -61.4 -38.6 19.0 34.5 31.2 62 70 A L H X>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.7 0.840 110.5 50.5 -71.6 -33.5 18.6 32.6 34.4 63 71 A E H ><5S+ 0 0 53 -4,-1.8 3,-0.7 -5,-0.2 -2,-0.2 0.920 110.2 47.7 -70.4 -44.2 22.3 32.8 35.3 64 72 A Q H 3<5S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.746 106.6 58.8 -72.8 -18.8 22.5 36.5 34.8 65 73 A D H 3<5S- 0 0 0 -4,-1.2 159,-0.3 -5,-0.2 -1,-0.2 0.724 121.1-111.7 -74.0 -24.5 19.4 37.0 36.9 66 74 A G T <<5S+ 0 0 7 -4,-0.7 22,-0.4 -3,-0.7 21,-0.3 0.636 87.3 112.5 106.3 17.6 21.3 35.2 39.7 67 75 A F < + 0 0 0 -5,-2.4 18,-1.7 20,-0.2 2,-0.4 0.617 68.4 51.9 -97.6 -18.7 19.4 32.0 39.9 68 76 A L E -B 84 0A 6 -6,-0.6 2,-0.5 16,-0.3 16,-0.2 -0.948 60.7-144.5-127.0 144.0 22.0 29.5 38.7 69 77 A N E -B 83 0A 80 14,-3.3 14,-1.7 -2,-0.4 2,-0.5 -0.890 21.3-162.0 -90.0 129.3 25.6 28.5 39.3 70 78 A R E -B 82 0A 123 -2,-0.5 2,-0.5 12,-0.2 12,-0.2 -0.958 8.2-176.3-116.4 116.6 27.4 27.5 36.1 71 79 A V E -B 81 0A 69 10,-2.9 10,-2.7 -2,-0.5 2,-0.3 -0.943 13.0-146.8-115.5 122.4 30.6 25.5 36.5 72 80 A S E -B 80 0A 82 -2,-0.5 8,-0.2 8,-0.2 3,-0.0 -0.606 9.4-167.7 -80.8 141.5 32.8 24.5 33.5 73 81 A Y E -B 79 0A 106 6,-2.8 6,-1.8 -2,-0.3 -2,-0.0 -0.821 5.7-180.0-125.3 93.0 34.7 21.3 33.2 74 82 A P + 0 0 116 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.569 51.0 109.9 -61.8 -13.0 37.1 21.7 30.2 75 83 A V S S- 0 0 104 2,-0.2 4,-0.1 1,-0.1 -2,-0.1 -0.235 83.7 -53.0 -65.2 157.0 38.4 18.2 30.9 76 84 A V S S+ 0 0 135 1,-0.1 -1,-0.1 2,-0.1 3,-0.0 -0.650 134.1 24.6 -90.6 126.8 37.5 15.4 28.4 77 85 A P S S- 0 0 90 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.588 102.4-139.1 -72.6 142.1 34.6 15.0 27.7 78 86 A P + 0 0 86 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.374 26.9 175.7 -69.5 144.3 33.9 18.6 28.6 79 87 A H E - B 0 73A 59 -6,-1.8 -6,-2.8 -4,-0.1 2,-0.4 -0.956 24.6-144.8-139.2 162.3 30.7 19.4 30.5 80 88 A V E - B 0 72A 28 -2,-0.3 -40,-2.1 -8,-0.2 2,-0.4 -0.999 20.7-154.6-124.0 132.9 29.1 22.4 32.0 81 89 A E E -AB 39 71A 48 -10,-2.7 -10,-2.9 -2,-0.4 2,-0.4 -0.889 4.9-160.2-112.1 145.7 27.1 21.9 35.2 82 90 A Y E +AB 38 70A 18 -44,-3.6 -44,-2.1 -2,-0.4 2,-0.3 -0.953 15.7 160.3-124.1 134.7 24.1 23.9 36.6 83 91 A S E - B 0 69A 31 -14,-1.7 -14,-3.3 -2,-0.4 2,-0.3 -0.943 40.2 -91.8-141.6 170.8 22.6 24.2 40.0 84 92 A L E - B 0 68A 21 -51,-0.4 -16,-0.3 -2,-0.3 -17,-0.1 -0.603 27.8-140.7 -82.6 137.8 20.4 26.7 41.9 85 93 A T > - 0 0 17 -18,-1.7 4,-2.1 -2,-0.3 5,-0.2 -0.361 39.0 -97.5 -75.2 167.2 21.8 29.6 44.0 86 94 A P H > S+ 0 0 93 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.914 131.3 49.6 -52.1 -43.8 20.0 30.4 47.3 87 95 A L H > S+ 0 0 24 -21,-0.3 4,-1.7 1,-0.2 5,-0.2 0.890 110.3 50.9 -59.3 -40.5 18.1 33.1 45.3 88 96 A G H > S+ 0 0 0 -22,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.796 103.6 58.0 -68.9 -32.0 17.3 30.5 42.7 89 97 A E H X S+ 0 0 107 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.860 105.4 52.2 -60.3 -40.8 15.9 28.1 45.3 90 98 A Q H X S+ 0 0 86 -4,-1.4 4,-1.3 2,-0.2 3,-0.2 0.972 112.6 40.7 -63.0 -55.6 13.4 30.7 46.4 91 99 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.855 112.2 57.6 -62.6 -35.9 11.9 31.5 42.9 92 100 A S H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.876 101.6 54.7 -63.5 -39.5 12.0 27.8 42.0 93 101 A D H X S+ 0 0 79 -4,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.882 111.6 46.6 -57.4 -39.7 9.8 27.0 45.1 94 102 A X H X S+ 0 0 115 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.869 113.8 46.3 -71.5 -38.8 7.3 29.6 43.7 95 103 A V H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.924 114.1 48.7 -71.2 -43.3 7.5 28.2 40.1 96 104 A A H X S+ 0 0 3 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.818 105.7 54.9 -66.0 -40.9 7.1 24.6 41.4 97 105 A A H X S+ 0 0 36 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.945 114.2 43.8 -54.0 -46.1 4.1 25.3 43.6 98 106 A L H X S+ 0 0 1 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.922 114.3 47.6 -66.2 -48.6 2.4 26.8 40.5 99 107 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.922 114.3 48.3 -57.1 -49.8 3.5 24.0 38.1 100 108 A D H X S+ 0 0 86 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.887 108.9 52.9 -55.2 -44.4 2.4 21.4 40.7 101 109 A W H X S+ 0 0 18 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.891 112.2 46.2 -60.5 -39.1 -1.0 23.1 41.2 102 110 A I H X S+ 0 0 3 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.939 111.2 49.2 -71.5 -47.0 -1.6 23.0 37.5 103 111 A E H < S+ 0 0 36 -4,-2.7 14,-1.0 1,-0.2 3,-0.4 0.909 116.5 45.8 -57.5 -40.1 -0.5 19.4 37.0 104 112 A L H < S+ 0 0 128 -4,-2.3 -1,-0.2 12,-0.2 -2,-0.2 0.795 118.5 38.4 -72.7 -34.9 -2.8 18.4 39.9 105 113 A N H X S+ 0 0 30 -4,-1.8 4,-1.6 -5,-0.2 3,-0.4 0.288 83.6 107.4-105.3 9.8 -5.9 20.5 38.8 106 114 A L H X S+ 0 0 8 -4,-0.8 4,-3.4 -3,-0.4 5,-0.3 0.901 71.8 57.9 -52.7 -50.4 -5.6 19.9 35.1 107 115 A P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.864 107.2 47.7 -54.8 -39.1 -8.6 17.5 34.8 108 116 A Q H 4 S+ 0 0 102 -3,-0.4 4,-0.3 2,-0.2 -2,-0.2 0.863 114.3 48.0 -67.3 -35.7 -11.0 20.1 36.2 109 117 A V H >X S+ 0 0 2 -4,-1.6 4,-1.6 -3,-0.2 3,-1.1 0.942 114.0 45.3 -67.2 -50.2 -9.5 22.6 33.8 110 118 A L H 3< S+ 0 0 75 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.865 108.8 56.4 -58.4 -38.7 -9.8 20.2 30.9 111 119 A A T 3< S+ 0 0 74 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.636 107.4 52.6 -67.5 -12.5 -13.4 19.3 32.0 112 120 A Q T <4 S+ 0 0 81 -3,-1.1 2,-0.6 -4,-0.3 -2,-0.2 0.848 91.8 77.2 -90.4 -41.6 -14.1 23.1 31.7 113 121 A R < 0 0 72 -4,-1.6 64,-0.1 64,-0.2 -1,-0.1 -0.628 360.0 360.0 -71.7 110.3 -12.8 23.5 28.1 114 122 A E 0 0 182 -2,-0.6 -3,-0.0 62,-0.1 -1,-0.0 -0.704 360.0 360.0-149.5 360.0 -15.6 22.2 25.9 115 !* 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 12 B E 0 0 196 0, 0.0 -12,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 147.5 -2.5 14.7 36.2 117 13 B G - 0 0 13 -14,-1.0 2,-0.3 -17,-0.2 -14,-0.1 -0.589 360.0-160.8 -96.2 160.4 -0.1 16.9 34.1 118 14 B N > - 0 0 81 -2,-0.2 3,-1.4 3,-0.1 6,-0.3 -0.774 1.9-171.2-140.4 100.3 3.5 16.4 33.2 119 15 B L T 3 S+ 0 0 5 -2,-0.3 5,-0.1 1,-0.3 -91,-0.1 0.707 83.9 64.6 -65.1 -21.8 5.2 19.7 32.0 120 16 B F T 3 S+ 0 0 37 -73,-0.1 -72,-0.8 -92,-0.1 2,-0.4 0.763 84.5 86.6 -70.2 -25.7 8.4 17.7 30.9 121 17 B A S X S- 0 0 40 -3,-1.4 3,-1.6 1,-0.1 -3,-0.1 -0.637 81.2-135.4 -77.4 126.4 6.4 15.9 28.2 122 18 B E T 3 S+ 0 0 103 -2,-0.4 -1,-0.1 1,-0.3 5,-0.0 0.816 98.0 44.6 -58.2 -33.9 6.3 17.9 25.0 123 19 B Q T 3 S+ 0 0 172 4,-0.0 -1,-0.3 3,-0.0 -4,-0.1 0.232 79.5 131.5 -96.3 18.3 2.6 17.4 24.2 124 20 B C X - 0 0 21 -3,-1.6 3,-2.0 -6,-0.3 4,-0.4 -0.538 53.7-143.9 -80.7 126.6 1.0 18.0 27.7 125 21 B P T >> S+ 0 0 57 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.687 95.1 78.4 -56.6 -20.8 -2.0 20.3 28.0 126 22 B S H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.847 87.8 59.8 -56.2 -33.2 -0.6 21.5 31.4 127 23 B R H <> S+ 0 0 25 -3,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.853 102.9 50.0 -61.0 -38.0 1.8 23.6 29.2 128 24 B E H <> S+ 0 0 99 -3,-0.8 4,-1.9 -4,-0.4 -2,-0.2 0.939 112.8 45.2 -69.4 -47.7 -1.1 25.5 27.6 129 25 B V H X S+ 0 0 3 -4,-1.8 4,-1.8 1,-0.2 5,-0.2 0.894 112.9 52.2 -63.5 -39.3 -2.8 26.3 30.9 130 26 B L H X S+ 0 0 9 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.912 107.2 52.2 -60.0 -46.5 0.7 27.3 32.3 131 27 B K H X S+ 0 0 150 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.888 111.5 49.2 -53.6 -40.6 1.2 29.6 29.3 132 28 B H H < S+ 0 0 31 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.815 114.6 40.0 -73.6 -36.2 -2.2 31.2 30.1 133 29 B V H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.607 120.3 45.2 -90.3 -7.1 -1.8 31.9 33.8 134 30 B T H < S+ 0 0 9 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.453 81.9 112.1-122.6 -6.2 1.8 33.0 33.5 135 31 B S S X S- 0 0 42 -4,-1.0 4,-3.1 -5,-0.1 5,-0.3 -0.298 82.8-106.0 -63.1 156.8 1.7 35.3 30.5 136 32 B R H > S+ 0 0 96 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.898 122.1 38.9 -52.9 -47.3 2.3 38.9 31.3 137 33 B W H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.898 113.7 54.3 -74.4 -38.4 -1.3 39.8 30.9 138 34 B G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.881 107.6 51.4 -61.9 -41.6 -2.7 36.6 32.5 139 35 B V H X S+ 0 0 2 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.936 111.9 47.2 -61.3 -46.0 -0.6 37.3 35.7 140 36 B L H X S+ 0 0 2 -4,-1.4 4,-3.2 -5,-0.3 -2,-0.2 0.877 110.7 50.0 -66.1 -43.4 -2.0 40.8 35.9 141 37 B I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.968 113.1 47.5 -57.9 -49.0 -5.6 39.8 35.4 142 38 B L H < S+ 0 0 0 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.832 116.6 42.9 -65.9 -38.5 -5.3 37.1 38.1 143 39 B V H >< S+ 0 0 33 -4,-2.2 3,-1.2 -5,-0.2 4,-0.4 0.912 113.6 51.0 -68.8 -45.9 -3.6 39.5 40.5 144 40 B A H >< S+ 0 0 0 -4,-3.2 3,-1.5 1,-0.2 4,-0.2 0.894 105.3 56.2 -59.7 -38.7 -6.0 42.4 39.8 145 41 B L G >< S+ 0 0 6 -4,-2.2 3,-1.0 1,-0.3 51,-0.4 0.569 86.2 79.4 -75.5 -10.7 -9.2 40.4 40.3 146 42 B R G < S+ 0 0 113 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.739 89.0 58.0 -62.4 -27.6 -8.0 39.4 43.8 147 43 B D G < S- 0 0 119 -3,-1.5 -1,-0.2 -4,-0.4 2,-0.2 0.603 124.4 -94.8 -71.3 -20.3 -9.3 42.8 44.9 148 44 B G S < S- 0 0 31 -3,-1.0 -1,-0.3 -4,-0.2 46,-0.1 -0.782 70.3 -8.2 131.8-174.4 -12.7 41.9 43.5 149 45 B T - 0 0 80 -2,-0.2 2,-0.4 -3,-0.1 46,-0.2 -0.241 61.4-168.9 -57.5 131.8 -14.9 42.3 40.4 150 46 B H E -C 194 0B 9 44,-2.5 44,-2.9 4,-0.0 2,-0.1 -0.984 19.7-127.8-123.9 143.1 -13.4 44.5 37.7 151 47 B R E > -C 193 0B 103 -2,-0.4 4,-2.1 42,-0.3 3,-0.3 -0.430 33.9-111.0 -66.7 157.0 -14.8 45.9 34.5 152 48 B F H > S+ 0 0 32 40,-2.2 4,-2.6 1,-0.2 5,-0.1 0.894 121.1 53.2 -51.9 -42.2 -12.8 45.4 31.3 153 49 B S H > S+ 0 0 47 39,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.804 105.8 51.4 -69.4 -32.6 -12.0 49.1 31.3 154 50 B D H > S+ 0 0 44 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.858 111.1 48.5 -72.4 -41.0 -10.7 49.0 34.9 155 51 B L H >X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 3,-0.7 0.980 110.7 52.4 -57.1 -51.5 -8.4 46.1 34.0 156 52 B R H 3< S+ 0 0 89 -4,-2.6 6,-0.2 1,-0.3 -2,-0.2 0.863 107.6 49.5 -56.4 -43.4 -7.3 48.0 30.9 157 53 B R H 3< S+ 0 0 156 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.795 112.1 48.4 -70.5 -28.0 -6.3 51.2 32.8 158 54 B X H << S+ 0 0 89 -4,-1.4 2,-1.2 -3,-0.7 -1,-0.2 0.818 96.2 77.2 -73.7 -33.9 -4.3 49.3 35.4 159 55 B X S >< S- 0 0 3 -4,-1.9 3,-1.8 -5,-0.1 2,-0.3 -0.647 78.5-145.4 -91.5 96.3 -2.3 47.2 32.9 160 56 B G T 3 S+ 0 0 22 -152,-1.9 -149,-0.2 -2,-1.2 -3,-0.1 -0.377 80.7 11.4 -65.5 115.8 0.4 49.5 31.5 161 57 B G T 3 S+ 0 0 48 1,-0.3 -1,-0.2 -2,-0.3 2,-0.2 0.259 90.2 137.0 103.6 -9.5 1.0 48.6 27.8 162 58 B V < - 0 0 21 -3,-1.8 -1,-0.3 -6,-0.2 2,-0.2 -0.475 40.9-147.4 -74.3 136.8 -1.9 46.3 27.2 163 59 B S > - 0 0 51 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.600 26.6-114.7 -87.4 161.7 -4.0 46.5 24.0 164 60 B E H > S+ 0 0 122 -2,-0.2 4,-3.3 2,-0.2 5,-0.2 0.883 117.9 53.2 -58.0 -46.3 -7.8 45.6 23.9 165 61 B X H > S+ 0 0 178 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.955 111.7 42.7 -55.6 -56.0 -7.0 42.7 21.7 166 62 B X H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.819 116.4 48.0 -61.8 -39.0 -4.4 41.2 24.1 167 63 B L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.949 113.7 48.2 -65.6 -50.2 -6.5 41.9 27.2 168 64 B A H X S+ 0 0 44 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.909 111.7 50.9 -56.8 -42.9 -9.6 40.3 25.4 169 65 B Q H X S+ 0 0 104 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.920 111.4 44.9 -63.1 -48.5 -7.4 37.3 24.4 170 66 B S H X S+ 0 0 16 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.887 113.0 52.1 -63.3 -38.8 -6.1 36.5 27.9 171 67 B L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.895 109.2 49.9 -63.4 -44.6 -9.5 37.0 29.5 172 68 B Q H X S+ 0 0 144 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.913 112.1 47.7 -56.3 -47.5 -11.0 34.5 27.0 173 69 B A H X S+ 0 0 19 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.924 113.1 47.3 -64.3 -43.8 -8.3 32.0 27.7 174 70 B L H <>S+ 0 0 1 -4,-2.3 5,-2.4 2,-0.2 6,-0.6 0.853 114.3 47.4 -66.3 -34.0 -8.7 32.3 31.5 175 71 B E H ><5S+ 0 0 54 -4,-2.2 3,-1.4 4,-0.2 -2,-0.2 0.927 109.9 51.0 -71.9 -44.3 -12.5 32.1 31.3 176 72 B Q H 3<5S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.820 107.5 56.5 -61.4 -27.9 -12.4 29.0 29.0 177 73 B D T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.583 121.8-107.4 -76.8 -14.1 -10.0 27.4 31.6 178 74 B G T < 5S+ 0 0 5 -3,-1.4 22,-0.4 -4,-0.3 21,-0.3 0.551 91.0 110.8 103.6 7.1 -12.5 27.8 34.4 179 75 B F < + 0 0 1 -5,-2.4 18,-1.9 20,-0.2 2,-0.4 0.635 69.4 50.5 -93.2 -16.5 -10.7 30.7 36.3 180 76 B L E -D 196 0B 6 -6,-0.6 2,-0.5 16,-0.3 16,-0.2 -0.973 58.5-147.3-137.7 136.4 -13.1 33.5 35.5 181 77 B N E -D 195 0B 79 14,-2.9 14,-1.6 -2,-0.4 2,-0.5 -0.852 20.3-160.3 -90.9 130.3 -16.7 34.6 35.7 182 78 B R E -D 194 0B 128 -2,-0.5 2,-0.5 12,-0.2 12,-0.2 -0.958 7.4-173.6-110.6 125.2 -17.8 37.0 32.9 183 79 B V E -D 193 0B 70 10,-3.0 10,-2.6 -2,-0.5 2,-0.4 -0.973 11.6-153.0-113.0 120.2 -21.0 39.1 33.4 184 80 B S E -D 192 0B 78 -2,-0.5 8,-0.2 8,-0.2 3,-0.1 -0.763 7.5-164.1 -89.6 132.6 -22.2 41.2 30.3 185 81 B Y E -D 191 0B 85 6,-3.5 6,-2.3 -2,-0.4 -2,-0.0 -0.875 7.6-178.6-112.4 94.6 -24.2 44.3 30.8 186 82 B P + 0 0 117 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.555 44.7 117.1 -75.6 -9.7 -25.7 45.0 27.3 187 83 B V S S- 0 0 96 2,-0.1 4,-0.1 1,-0.1 -2,-0.1 -0.164 83.0 -61.5 -42.3 149.4 -27.4 48.2 28.6 188 84 B V S S+ 0 0 130 1,-0.2 -1,-0.1 2,-0.1 3,-0.0 -0.760 134.3 33.0 -89.1 131.8 -26.0 51.3 26.8 189 85 B P S S- 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.596 104.1-139.3 -69.6 135.9 -23.0 52.0 27.1 190 86 B P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.248 25.7-179.7 -61.6 150.6 -22.4 48.2 27.3 191 87 B H E - D 0 185B 41 -6,-2.3 -6,-3.5 -4,-0.1 2,-0.4 -0.975 19.0-143.5-147.6 165.3 -19.9 46.8 29.8 192 88 B V E - D 0 184B 25 -2,-0.3 -40,-2.2 -8,-0.2 2,-0.4 -0.997 11.5-159.3-133.1 135.1 -18.4 43.5 30.9 193 89 B E E -CD 151 183B 50 -10,-2.6 -10,-3.0 -2,-0.4 2,-0.4 -0.913 5.3-163.1-116.1 139.7 -17.4 42.5 34.5 194 90 B Y E +CD 150 182B 19 -44,-2.9 -44,-2.5 -2,-0.4 2,-0.3 -0.952 11.6 167.7-125.2 144.9 -15.0 39.8 35.6 195 91 B S E - D 0 181B 29 -14,-1.6 -14,-2.9 -2,-0.4 2,-0.3 -0.950 39.3 -92.1-144.0 163.6 -14.3 38.0 38.8 196 92 B L E - D 0 180B 19 -51,-0.4 -16,-0.3 -2,-0.3 -17,-0.1 -0.578 30.8-140.1 -74.6 136.7 -12.4 34.9 40.0 197 93 B T > - 0 0 16 -18,-1.9 4,-2.0 -2,-0.3 5,-0.1 -0.328 39.1 -97.4 -74.8 169.6 -14.2 31.5 40.2 198 94 B P H > S+ 0 0 94 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.926 131.5 50.5 -54.5 -42.7 -13.2 29.3 43.3 199 95 B L H > S+ 0 0 6 -21,-0.3 4,-1.9 1,-0.2 5,-0.2 0.842 108.5 51.0 -61.3 -37.3 -10.8 27.6 41.0 200 96 B G H > S+ 0 0 0 -22,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.795 103.7 58.8 -72.8 -32.1 -9.3 30.9 39.8 201 97 B E H X S+ 0 0 106 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.882 106.5 49.9 -57.8 -39.0 -8.9 32.0 43.4 202 98 B Q H X S+ 0 0 85 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.946 114.4 39.8 -71.4 -46.7 -6.6 28.9 43.8 203 99 B V H >X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-0.6 0.922 112.0 60.0 -65.6 -40.1 -4.4 29.4 40.8 204 100 B S H 3X S+ 0 0 0 -4,-2.1 4,-3.8 1,-0.2 5,-0.3 0.862 99.1 56.2 -52.3 -45.2 -4.3 33.2 41.5 205 101 B D H 3X S+ 0 0 80 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.861 112.6 42.0 -52.7 -41.6 -2.8 32.6 45.0 206 102 B X H < S+ 0 0 33 -4,-2.3 -210,-2.4 1,-0.2 3,-0.9 0.926 115.9 48.4 -64.2 -44.1 8.8 42.3 42.6 216 112 B L H 3< S+ 0 0 78 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.893 117.3 40.9 -60.5 -43.3 10.1 42.0 46.2 217 113 B N T >X S+ 0 0 13 -4,-2.9 4,-1.7 -5,-0.2 3,-0.5 0.319 80.6 108.6 -93.9 10.7 13.4 40.4 45.1 218 114 B L H <> S+ 0 0 1 -3,-0.9 4,-2.6 -4,-0.4 5,-0.3 0.914 73.2 58.9 -52.8 -47.4 13.9 42.6 42.0 219 115 B P H 3> S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.885 106.1 47.7 -52.1 -40.6 16.9 44.5 43.6 220 116 B Q H <> S+ 0 0 87 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.911 111.4 51.6 -67.4 -40.5 18.9 41.3 44.2 221 117 B V H X S+ 0 0 1 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.927 110.4 47.5 -59.1 -47.3 18.3 40.3 40.6 222 118 B L H X S+ 0 0 29 -4,-2.6 4,-1.5 1,-0.2 3,-0.3 0.926 108.4 55.6 -63.6 -40.7 19.4 43.6 39.2 223 119 B A H X S+ 0 0 22 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.833 108.0 48.6 -58.0 -35.9 22.6 43.5 41.4 224 120 B Q H < S+ 0 0 74 -4,-1.7 -1,-0.2 -159,-0.3 -2,-0.2 0.779 105.1 61.4 -74.8 -26.2 23.5 40.0 39.9 225 121 B R H < S+ 0 0 87 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.909 100.6 50.8 -64.7 -43.6 22.9 41.5 36.4 226 122 B E H < 0 0 157 -4,-1.5 -1,-0.2 0, 0.0 -2,-0.2 0.878 360.0 360.0 -66.6 -40.0 25.6 44.1 36.6 227 123 B R < 0 0 209 -4,-1.0 -4,-0.0 -163,-0.1 0, 0.0 -0.387 360.0 360.0 -55.8 360.0 28.3 41.6 37.8