==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 04-NOV-99 1DC7 . COMPND 2 MOLECULE: NITROGEN REGULATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR D.KERN,B.F.VOLKMAN,P.LUGINBUHL,M.J.NOHAILE,S.KUSTU, . 124 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 7.3 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 . 1 0.8 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 . 11 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 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 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 0 240 0, 0.0 28,-0.0 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 166.1 -13.7 -3.5 14.7 2 2 A Q + 0 0 140 1,-0.1 3,-0.1 2,-0.1 26,-0.1 0.773 360.0 144.4 62.2 119.9 -10.6 -1.5 13.8 3 3 A R - 0 0 169 1,-0.5 -1,-0.1 0, 0.0 116,-0.1 0.000 66.8 -14.9 178.3 55.7 -7.4 -3.4 13.5 4 4 A G - 0 0 1 24,-0.2 25,-4.2 115,-0.1 -1,-0.5 0.059 60.3-132.6 111.8 139.2 -5.2 -2.1 10.8 5 5 A I - 0 0 38 23,-0.2 2,-0.3 -3,-0.1 25,-0.2 -0.943 16.6-177.0-125.5 146.7 -5.7 0.3 7.9 6 6 A V - 0 0 2 -2,-0.4 25,-2.6 23,-0.1 2,-0.7 -0.931 14.6-151.7-147.4 117.9 -4.7 -0.0 4.2 7 7 A W E -ab 31 51A 36 43,-0.9 45,-2.5 -2,-0.3 2,-0.3 -0.819 17.8-150.1 -93.3 115.3 -5.2 2.6 1.5 8 8 A V E -ab 32 52A 1 23,-1.8 25,-2.8 -2,-0.7 45,-0.2 -0.659 14.1-174.4 -86.9 140.0 -5.5 1.0 -1.8 9 9 A V E + b 0 53A 3 43,-0.9 45,-1.9 -2,-0.3 2,-0.4 -0.659 29.0 136.2-136.0 77.2 -4.3 2.9 -4.9 10 10 A D - 0 0 2 -2,-0.2 -2,-0.0 2,-0.2 43,-0.0 -0.941 51.3-143.7-125.9 147.4 -5.2 0.9 -8.0 11 11 A D S S+ 0 0 92 -2,-0.4 2,-0.2 22,-0.0 23,-0.0 0.049 82.0 78.4 -94.3 23.7 -6.7 2.0 -11.3 12 12 A D S S- 0 0 91 0, 0.0 -2,-0.2 0, 0.0 4,-0.2 -0.730 73.7-136.5-124.7 173.8 -8.6 -1.2 -11.5 13 13 A S S S+ 0 0 76 -2,-0.2 -2,-0.0 3,-0.1 0, 0.0 -0.331 89.8 65.5-127.9 48.8 -11.8 -2.7 -9.9 14 14 A S S > S+ 0 0 62 3,-0.1 4,-1.8 0, 0.0 5,-0.1 0.547 103.7 36.2-133.0 -43.6 -10.6 -6.2 -9.0 15 15 A I H > S+ 0 0 34 2,-0.2 4,-4.6 3,-0.2 5,-0.4 0.843 110.6 62.0 -83.0 -38.1 -7.9 -5.8 -6.4 16 16 A R H > S+ 0 0 103 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.844 112.7 38.6 -55.4 -35.9 -9.6 -2.8 -4.7 17 17 A W H > S+ 0 0 134 2,-0.2 4,-4.3 3,-0.2 5,-0.2 0.934 118.4 47.1 -79.1 -51.8 -12.5 -5.2 -4.0 18 18 A V H X S+ 0 0 43 -4,-1.8 4,-4.6 2,-0.2 5,-0.3 0.948 117.1 43.9 -53.4 -54.6 -10.4 -8.2 -3.2 19 19 A L H X S+ 0 0 1 -4,-4.6 4,-4.5 1,-0.2 5,-0.3 0.953 117.8 44.6 -55.3 -54.6 -8.1 -6.2 -0.9 20 20 A E H X S+ 0 0 83 -4,-1.7 4,-2.4 -5,-0.4 -1,-0.2 0.882 118.0 46.1 -57.3 -41.0 -11.1 -4.4 0.7 21 21 A R H < S+ 0 0 180 -4,-4.3 -2,-0.2 2,-0.2 4,-0.2 0.959 118.9 39.2 -66.5 -53.6 -12.8 -7.7 0.9 22 22 A A H >X S+ 0 0 18 -4,-4.6 4,-3.0 2,-0.2 3,-0.9 0.932 119.4 47.6 -61.7 -47.8 -9.8 -9.6 2.3 23 23 A L H 3<>S+ 0 0 2 -4,-4.5 5,-3.7 -5,-0.3 4,-0.4 0.882 118.2 41.4 -60.3 -39.8 -8.9 -6.6 4.4 24 24 A A T 3<5S+ 0 0 69 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.437 118.9 49.1 -86.1 -1.3 -12.5 -6.4 5.6 25 25 A G T <45S+ 0 0 64 -3,-0.9 -2,-0.2 -6,-0.3 -3,-0.2 0.646 107.3 50.6-107.2 -25.5 -12.5 -10.2 5.8 26 26 A A T <5S- 0 0 48 -4,-3.0 -2,-0.2 2,-0.1 -3,-0.2 0.508 124.6 -99.5 -89.1 -7.5 -9.3 -10.6 7.8 27 27 A G T 5S+ 0 0 45 -4,-0.4 2,-0.3 1,-0.3 -3,-0.2 0.794 85.4 119.2 92.0 35.3 -10.5 -8.1 10.3 28 28 A L < - 0 0 8 -5,-3.7 -1,-0.3 -6,-0.2 2,-0.2 -0.839 61.8-109.2-127.7 164.7 -8.6 -5.1 9.0 29 29 A T - 0 0 51 -25,-4.2 2,-0.3 -2,-0.3 -23,-0.1 -0.610 32.1-179.6 -94.3 155.1 -9.5 -1.7 7.5 30 30 A C - 0 0 14 -2,-0.2 2,-0.3 -25,-0.2 -23,-0.2 -0.986 14.7-162.8-152.4 151.5 -9.1 -0.7 3.9 31 31 A T E -a 7 0A 42 -25,-2.6 -23,-1.8 -2,-0.3 2,-0.3 -0.867 17.9-140.2-143.9 105.0 -9.7 2.4 1.8 32 32 A T E +a 8 0A 43 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.1 -0.470 26.5 170.1 -66.7 126.4 -9.9 2.2 -2.0 33 33 A F + 0 0 15 -25,-2.8 2,-2.2 -2,-0.3 6,-0.2 -0.584 11.4 174.5-140.9 74.1 -8.2 5.2 -3.5 34 34 A E + 0 0 78 -25,-0.2 -25,-0.1 1,-0.2 2,-0.1 -0.174 69.4 72.2 -74.7 46.1 -7.8 4.8 -7.3 35 35 A N >> - 0 0 68 -2,-2.2 4,-1.5 1,-0.1 3,-1.2 -0.571 69.2-154.2-164.0 90.5 -6.5 8.3 -7.4 36 36 A G T 34 S+ 0 0 11 1,-0.3 4,-0.4 2,-0.2 5,-0.1 0.757 99.6 63.0 -35.6 -32.1 -3.0 9.1 -6.0 37 37 A N T >> S+ 0 0 115 2,-0.2 4,-3.5 1,-0.2 3,-1.6 0.974 101.7 46.1 -60.0 -58.1 -4.5 12.5 -5.5 38 38 A E H <> S+ 0 0 97 -3,-1.2 4,-1.3 1,-0.3 5,-0.3 0.924 114.1 47.7 -49.6 -52.4 -7.1 11.4 -3.1 39 39 A V H 3X S+ 0 0 5 -4,-1.5 4,-0.6 1,-0.2 -1,-0.3 0.617 116.2 48.6 -65.2 -11.4 -4.5 9.4 -1.2 40 40 A L H <4 S+ 0 0 44 -3,-1.6 -2,-0.3 -5,-0.4 -1,-0.2 0.822 114.7 40.0 -94.3 -41.5 -2.5 12.5 -1.4 41 41 A A H < S+ 0 0 70 -4,-3.5 -2,-0.2 2,-0.2 -3,-0.2 0.456 122.5 46.1 -85.4 -2.6 -5.2 14.9 -0.2 42 42 A A H < S+ 0 0 27 -4,-1.3 4,-0.4 -5,-0.4 3,-0.4 0.698 117.7 39.0-106.6 -32.7 -6.1 12.3 2.3 43 43 A L S < S+ 0 0 4 -4,-0.6 -2,-0.2 -5,-0.3 -3,-0.1 0.296 101.8 76.0 -99.0 6.0 -2.7 11.4 3.5 44 44 A A S S+ 0 0 47 -4,-0.2 -1,-0.2 1,-0.1 -3,-0.1 0.540 103.2 37.2 -90.9 -10.4 -1.6 15.1 3.4 45 45 A S S S- 0 0 111 -3,-0.4 2,-0.3 1,-0.2 -2,-0.2 0.545 135.6 -19.0-112.6 -17.9 -3.6 15.7 6.5 46 46 A K - 0 0 175 -4,-0.4 -1,-0.2 0, 0.0 -4,-0.0 -0.876 63.4-114.0-165.4-166.2 -2.8 12.5 8.3 47 47 A T - 0 0 66 -2,-0.3 -4,-0.1 -3,-0.1 4,-0.0 -0.973 16.8-137.4-154.4 136.9 -1.6 8.9 7.8 48 48 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 -42,-0.1 0.180 43.7 -88.4 -75.0-161.5 -3.1 5.5 8.2 49 49 A D S S- 0 0 51 1,-0.3 2,-0.3 27,-0.1 -43,-0.1 0.604 101.6 -26.4 -86.8 -14.6 -1.5 2.4 9.7 50 50 A V - 0 0 0 26,-0.1 -43,-0.9 28,-0.0 -1,-0.3 -0.945 60.6-124.6 177.0 169.7 -0.1 1.5 6.3 51 51 A L E -b 7 0A 0 -2,-0.3 28,-1.1 -45,-0.2 29,-0.5 -0.918 7.3-167.8-132.8 158.1 -0.6 1.8 2.6 52 52 A L E +b 8 0A 5 -45,-2.5 -43,-0.9 -2,-0.3 29,-0.1 -0.423 25.7 166.5-144.5 61.5 -0.9 -0.6 -0.3 53 53 A S E -b 9 0A 8 -45,-0.2 28,-1.8 1,-0.1 -43,-0.1 -0.283 17.7-154.0 -75.1 164.0 -0.6 1.4 -3.5 54 54 A D - 0 0 2 -45,-1.9 3,-0.2 26,-0.2 -1,-0.1 -0.131 29.3 -80.3-115.2-148.7 -0.0 -0.1 -6.9 55 55 A I S S+ 0 0 9 1,-0.1 2,-4.0 -2,-0.1 -1,-0.2 0.732 75.9 111.9 -86.8-108.7 1.5 1.1 -10.1 56 56 A R + 0 0 69 5,-0.4 -1,-0.1 1,-0.1 7,-0.1 -0.274 62.4 100.4 67.5 -60.0 -0.5 3.2 -12.4 57 57 A M S S- 0 0 34 -2,-4.0 -1,-0.1 5,-0.5 6,-0.0 0.180 82.8-111.4 -45.6 173.6 1.8 6.1 -11.7 58 58 A P S > S+ 0 0 90 0, 0.0 4,-0.7 0, 0.0 5,-0.1 0.947 72.4 119.5 -75.0 -89.2 4.6 7.1 -14.2 59 59 A G H >> S- 0 0 23 1,-0.3 2,-3.6 3,-0.3 3,-1.2 0.744 110.5 -72.0 20.3 55.2 8.0 6.3 -12.7 60 60 A M H 34 S+ 0 0 171 1,-0.3 -1,-0.3 2,-0.1 26,-0.0 -0.311 136.5 15.6 68.2 -63.3 8.4 4.0 -15.7 61 61 A D H 34 S- 0 0 40 -2,-3.6 -5,-0.4 25,-0.1 -1,-0.3 0.574 128.7 -85.2-111.0 -20.7 6.0 1.5 -14.2 62 62 A G H << S+ 0 0 0 -3,-1.2 -5,-0.5 -4,-0.7 -3,-0.3 0.750 94.3 114.1 113.2 53.7 4.4 3.9 -11.7 63 63 A L < + 0 0 13 -4,-0.5 -4,-0.1 -7,-0.1 4,-0.1 0.175 57.0 81.8-131.6 10.3 6.6 3.8 -8.6 64 64 A A S > S+ 0 0 45 1,-0.2 3,-2.9 2,-0.1 4,-0.1 0.920 77.3 66.1 -81.7 -50.1 7.9 7.4 -8.7 65 65 A L T >> S+ 0 0 41 1,-0.3 3,-2.3 2,-0.2 4,-0.9 0.742 75.4 96.3 -42.9 -24.2 4.9 9.0 -7.1 66 66 A L H 3> + 0 0 19 1,-0.3 4,-2.2 2,-0.2 5,-0.5 0.816 64.9 76.7 -35.3 -40.8 6.1 7.0 -4.2 67 67 A K H <> S+ 0 0 141 -3,-2.9 4,-4.3 1,-0.3 -1,-0.3 0.884 94.3 47.0 -36.9 -57.3 7.8 10.3 -3.3 68 68 A Q H <> S+ 0 0 42 -3,-2.3 4,-1.9 2,-0.2 -1,-0.3 0.908 110.4 54.3 -53.2 -46.9 4.5 11.6 -2.1 69 69 A I H >X S+ 0 0 14 -4,-0.9 4,-5.0 -3,-0.3 3,-1.1 0.972 117.7 33.0 -50.8 -67.0 3.9 8.4 -0.2 70 70 A K H 3< S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.889 118.0 56.3 -57.5 -41.4 7.2 8.6 1.8 71 71 A Q H 3< S+ 0 0 121 -4,-4.3 -1,-0.3 -5,-0.5 -2,-0.2 0.745 118.8 34.1 -62.2 -23.7 6.8 12.3 1.8 72 72 A R H << S+ 0 0 88 -4,-1.9 -2,-0.2 -3,-1.1 -1,-0.2 0.844 140.5 14.0 -96.4 -47.1 3.4 11.7 3.4 73 73 A H >< + 0 0 5 -4,-5.0 2,-2.7 -5,-0.2 3,-0.8 -0.580 69.0 175.0-131.9 68.9 4.2 8.7 5.5 74 74 A P T 3 S+ 0 0 81 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.394 81.4 34.2 -75.0 65.5 8.0 8.4 5.6 75 75 A M T 3 S+ 0 0 170 -2,-2.7 -5,-0.1 1,-0.2 -2,-0.0 0.150 79.5 122.1 178.6 -33.0 7.9 5.5 8.0 76 76 A L S < S- 0 0 23 -3,-0.8 2,-2.7 1,-0.2 -1,-0.2 -0.254 70.2-120.7 -53.3 133.0 4.8 3.4 7.2 77 77 A P + 0 0 26 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 -0.298 48.8 175.0 -75.0 56.2 5.7 -0.2 6.4 78 78 A V + 0 0 3 -2,-2.7 23,-0.2 -5,-0.2 22,-0.2 -0.297 18.3 177.4 -64.0 148.7 4.1 0.2 3.0 79 79 A I - 0 0 4 -28,-1.1 22,-0.4 20,-0.2 -27,-0.2 0.700 15.7-170.5-117.5 -53.7 4.5 -2.8 0.6 80 80 A I - 0 0 6 -29,-0.5 22,-0.7 21,-0.1 2,-0.3 0.209 27.1 -88.6 72.6 160.2 2.7 -1.9 -2.5 81 81 A M B -c 102 0B 1 -28,-1.8 2,-0.3 20,-0.2 20,-0.1 -0.771 40.3-177.1-107.1 152.0 1.9 -4.3 -5.4 82 82 A T - 0 0 0 20,-1.8 5,-0.1 -2,-0.3 -2,-0.0 -0.955 33.9-131.3-144.1 160.4 4.1 -5.1 -8.4 83 83 A A - 0 0 37 -2,-0.3 2,-3.0 20,-0.1 4,-0.1 -0.223 59.3-101.5-104.9 40.1 3.9 -7.2 -11.6 84 84 A H S > S+ 0 0 118 1,-0.2 3,-1.2 18,-0.2 4,-0.5 -0.306 127.2 59.4 74.3 -57.5 7.4 -8.6 -11.0 85 85 A S T 3 S+ 0 0 95 -2,-3.0 -1,-0.2 1,-0.3 -3,-0.0 0.370 100.6 58.6 -80.8 4.6 8.7 -6.2 -13.6 86 86 A D T 3 S+ 0 0 22 18,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.061 91.6 68.6-118.5 19.9 7.4 -3.4 -11.3 87 87 A L S X>>S+ 0 0 35 -3,-1.2 4,-4.3 2,-0.1 3,-1.1 0.634 80.3 72.1-108.1 -25.8 9.5 -4.5 -8.3 88 88 A D T 345S+ 0 0 130 -4,-0.5 4,-0.2 1,-0.3 -2,-0.1 0.629 103.8 46.2 -65.0 -12.4 12.9 -3.6 -9.7 89 89 A A T 345S+ 0 0 18 2,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.509 119.0 39.6-104.2 -11.7 11.7 -0.0 -9.2 90 90 A A T <45S+ 0 0 2 -3,-1.1 3,-0.4 2,-0.1 -2,-0.2 0.651 122.0 40.9-106.8 -27.0 10.4 -0.8 -5.7 91 91 A V T <5S+ 0 0 96 -4,-4.3 2,-0.2 1,-0.2 -3,-0.2 0.765 126.9 34.2 -90.2 -31.4 13.2 -3.0 -4.6 92 92 A S S - 0 0 56 1,-0.2 3,-0.6 -3,-0.2 -1,-0.1 -0.968 58.0-140.7-159.4 142.0 14.2 3.6 -2.1 95 95 A Q T 3 S+ 0 0 157 -2,-0.3 2,-1.7 1,-0.3 -1,-0.2 0.995 102.6 25.9 -64.1 -79.3 16.3 5.3 0.5 96 96 A Q T 3 S- 0 0 151 2,-0.0 -1,-0.3 0, 0.0 0, 0.0 -0.501 90.2-157.2 -87.6 66.9 15.5 3.2 3.6 97 97 A G < + 0 0 60 -2,-1.7 -6,-0.1 -3,-0.6 -3,-0.0 -0.196 42.2 131.7 -48.1 125.2 14.7 0.1 1.8 98 98 A A + 0 0 78 -20,-0.1 -1,-0.1 -19,-0.0 2,-0.1 0.043 38.5 107.2-170.1 35.7 12.5 -2.1 4.0 99 99 A F - 0 0 30 -9,-0.2 -20,-0.2 -8,-0.1 -19,-0.1 -0.377 50.5-155.2-109.9-170.8 9.5 -3.1 1.8 100 100 A D - 0 0 98 -22,-0.2 -21,-0.1 -2,-0.1 -20,-0.1 0.062 16.6-160.2-156.4 24.5 8.4 -6.3 0.1 101 101 A Y - 0 0 4 -22,-0.4 -20,-0.2 -23,-0.2 -21,-0.1 0.255 34.1-116.4 -17.2 90.5 6.2 -5.1 -2.7 102 102 A L B -c 81 0B 19 -22,-0.7 2,-2.8 1,-0.2 -20,-1.8 -0.053 20.9-113.2 -40.7 136.8 4.4 -8.3 -3.2 103 103 A P - 0 0 65 0, 0.0 -1,-0.2 0, 0.0 -20,-0.1 -0.328 59.3-120.9 -75.1 59.0 5.1 -9.7 -6.7 104 104 A K S S+ 0 0 35 -2,-2.8 -18,-0.2 -24,-0.1 2,-0.1 -0.039 96.9 63.1 -43.5 146.2 1.6 -9.2 -7.7 105 105 A P S S+ 0 0 111 0, 0.0 2,-0.2 0, 0.0 -22,-0.0 0.475 87.0 136.3 -75.0 146.8 -0.5 -10.8 -8.6 106 106 A F - 0 0 44 -2,-0.1 2,-1.1 -4,-0.1 3,-0.1 -0.760 63.8 -64.3-141.1-174.1 -0.3 -12.6 -5.3 107 107 A D >> - 0 0 99 -2,-0.2 3,-1.8 1,-0.2 4,-1.6 -0.701 38.1-156.8 -83.4 100.2 -2.4 -14.0 -2.5 108 108 A I H >> S+ 0 0 19 -2,-1.1 4,-3.3 1,-0.3 3,-0.7 0.872 96.6 57.6 -40.3 -47.7 -4.2 -10.9 -1.1 109 109 A D H 3> S+ 0 0 96 1,-0.3 4,-3.7 2,-0.2 -1,-0.3 0.882 104.0 52.0 -51.8 -41.8 -4.6 -12.9 2.1 110 110 A E H <> S+ 0 0 108 -3,-1.8 4,-0.9 1,-0.2 -1,-0.3 0.816 112.3 45.8 -64.7 -31.6 -0.8 -13.2 2.1 111 111 A A H X S+ 0 0 20 -4,-0.9 3,-2.8 -5,-0.2 4,-1.4 0.976 104.7 48.5 -63.9 -57.8 1.5 -9.4 6.2 115 115 A V H >X S+ 0 0 2 -4,-1.9 4,-5.0 1,-0.3 3,-1.1 0.913 105.2 59.1 -47.5 -50.5 0.1 -6.1 7.3 116 116 A E H 3< S+ 0 0 67 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.698 113.8 39.8 -53.1 -18.9 -1.3 -7.8 10.4 117 117 A R H <> S+ 0 0 160 -3,-2.8 4,-1.4 -4,-0.4 -1,-0.3 0.571 118.8 45.9-104.3 -16.9 2.3 -8.6 11.0 118 118 A A H 4 S+ 0 0 76 -5,-0.5 3,-2.1 2,-0.1 -2,-0.2 0.847 111.5 52.7 -96.2 -47.7 2.4 -5.0 14.8 121 121 A H H 3< S+ 0 0 93 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.657 90.2 84.6 -62.8 -14.8 6.1 -5.1 14.1 122 122 A Y T 3< + 0 0 162 -4,-1.0 2,-2.4 1,-0.2 -1,-0.3 0.780 69.4 80.7 -57.8 -28.2 5.7 -1.4 13.6 123 123 A Q < 0 0 155 -3,-2.1 -1,-0.2 -4,-0.1 -4,-0.0 -0.406 360.0 360.0 -79.6 63.0 6.1 -1.1 17.4 124 124 A E 0 0 209 -2,-2.4 -2,-0.1 0, 0.0 -3,-0.0 -0.441 360.0 360.0-139.1 360.0 9.9 -1.4 17.2