==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-DEC-12 4IBP . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE-LIKE PROTEIN YIBF; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR M.W.VETTING,J.M.SAUDER,L.L.MORISCO,S.R.WASSERMAN,S.SOJITRA,H . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.9 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 8 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 47.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 1 0 0 0 1 0 1 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 1 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 . 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 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 0 A S 0 0 95 0, 0.0 2,-0.2 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 171.0 40.4 25.3 4.4 2 1 A L E -a 29 0A 3 26,-3.1 28,-2.7 57,-0.1 2,-0.4 -0.590 360.0-148.2 -97.9 159.6 37.6 27.8 3.9 3 2 A T E -aB 30 58A 24 55,-2.0 55,-3.3 26,-0.2 2,-0.6 -0.984 10.5-164.3-129.4 122.0 37.9 31.6 3.9 4 3 A L E -aB 31 57A 0 26,-3.2 28,-2.6 -2,-0.4 2,-0.5 -0.919 20.9-132.1-108.7 121.7 34.9 33.7 5.2 5 4 A F E -a 32 0A 2 51,-2.7 51,-0.4 -2,-0.6 2,-0.3 -0.628 46.4-173.1 -68.0 123.6 34.7 37.4 4.5 6 5 A H E +a 33 0A 32 26,-2.4 28,-1.8 -2,-0.5 -1,-0.0 -0.912 36.6 170.4-138.3 143.0 33.9 38.7 7.9 7 6 A N - 0 0 39 -2,-0.3 3,-0.4 26,-0.2 6,-0.1 -0.967 31.4-136.9-145.7 135.2 32.9 41.7 10.1 8 7 A P S S+ 0 0 67 0, 0.0 25,-0.0 0, 0.0 -1,-0.0 0.574 101.2 54.7 -75.6 -2.9 31.9 41.3 13.7 9 8 A A S S+ 0 0 16 194,-0.2 162,-0.1 162,-0.0 5,-0.0 0.779 82.2 99.3 -92.6 -31.5 29.0 43.7 13.4 10 9 A S > - 0 0 18 -3,-0.4 4,-2.1 1,-0.2 -3,-0.1 -0.344 55.7-159.6 -63.7 126.6 27.2 42.1 10.4 11 10 A P H > S+ 0 0 6 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.782 93.8 56.8 -78.9 -21.1 24.2 40.0 11.4 12 11 A Y H > S+ 0 0 40 2,-0.2 4,-1.3 1,-0.2 -2,-0.1 0.937 111.3 43.5 -70.9 -43.3 24.3 38.1 8.1 13 12 A V H > S+ 0 0 1 1,-0.2 4,-2.4 41,-0.2 -1,-0.2 0.887 109.0 59.0 -61.6 -41.8 27.9 37.1 9.0 14 13 A R H X S+ 0 0 17 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.903 98.9 57.5 -59.6 -38.1 26.8 36.4 12.5 15 14 A K H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.915 109.2 46.0 -54.7 -47.8 24.3 33.8 11.3 16 15 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.907 112.6 49.6 -62.6 -42.3 27.2 32.0 9.6 17 16 A X H X S+ 0 0 26 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.907 111.0 49.5 -64.8 -40.8 29.5 32.2 12.7 18 17 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.919 111.6 48.8 -64.1 -42.6 26.8 30.9 15.0 19 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 6,-0.2 0.904 111.9 48.6 -65.4 -40.5 26.1 28.0 12.7 20 19 A L H X>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-0.7 0.914 113.1 48.5 -63.1 -42.9 29.9 27.2 12.4 21 20 A H H ><5S+ 0 0 61 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.961 113.1 46.8 -60.3 -52.0 30.1 27.4 16.2 22 21 A E H 3<5S+ 0 0 60 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.817 117.0 42.5 -59.9 -33.6 27.0 25.1 16.7 23 22 A T H 3<5S- 0 0 27 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.396 111.6-116.0-100.8 1.2 28.2 22.5 14.2 24 23 A G T <<5S+ 0 0 55 -3,-1.0 3,-0.3 -4,-0.7 -3,-0.2 0.785 77.7 123.8 75.6 30.6 31.8 22.5 15.3 25 24 A Q > < + 0 0 12 -5,-2.5 3,-1.7 -6,-0.2 4,-0.2 0.274 30.5 104.8-108.6 10.5 33.2 23.8 12.1 26 25 A L G > S+ 0 0 66 -6,-0.7 3,-1.7 1,-0.3 -1,-0.2 0.833 72.9 66.1 -59.7 -31.0 35.1 26.9 13.2 27 26 A N G 3 S+ 0 0 146 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.443 96.7 56.8 -74.3 3.0 38.4 25.1 12.8 28 27 A R G < S+ 0 0 77 -3,-1.7 -26,-3.1 1,-0.1 2,-0.5 0.430 95.7 80.9-105.3 -1.5 37.9 24.9 9.1 29 28 A V E < -a 2 0A 23 -3,-1.7 2,-0.4 -4,-0.2 -26,-0.2 -0.920 53.3-164.3-128.2 119.2 37.5 28.7 8.6 30 29 A A E -a 3 0A 50 -28,-2.7 -26,-3.2 -2,-0.5 2,-0.4 -0.751 25.0-133.9 -88.6 139.4 39.9 31.6 8.2 31 30 A L E -a 4 0A 85 -2,-0.4 2,-0.6 -28,-0.2 -26,-0.2 -0.808 11.5-160.6 -97.8 134.3 38.3 35.0 8.6 32 31 A Q E -a 5 0A 77 -28,-2.6 -26,-2.4 -2,-0.4 -29,-0.0 -0.938 24.5-129.4-112.5 106.7 39.2 37.8 6.2 33 32 A A E -a 6 0A 73 -2,-0.6 2,-0.4 -28,-0.2 -26,-0.2 -0.208 29.5-175.7 -56.1 140.3 38.3 41.1 7.8 34 33 A S - 0 0 1 -28,-1.8 2,-0.4 2,-0.0 20,-0.0 -0.977 17.3-174.3-143.2 126.8 36.2 43.4 5.7 35 34 A Q + 0 0 150 -2,-0.4 2,-0.3 -28,-0.1 -28,-0.0 -0.984 33.7 135.5-113.4 133.7 35.0 47.0 6.2 36 35 A L - 0 0 45 -2,-0.4 -2,-0.0 6,-0.1 17,-0.0 -0.971 30.5-172.4-163.0 172.7 32.6 48.2 3.6 37 36 A S B > -D 40 0B 20 3,-1.0 3,-1.1 -2,-0.3 5,-0.1 -0.926 50.0 -93.8-161.7 171.4 29.4 50.0 2.6 38 37 A P T 3 S+ 0 0 95 0, 0.0 15,-0.0 0, 0.0 -1,-0.0 0.787 130.8 39.7 -63.7 -24.0 27.4 50.5 -0.6 39 38 A V T 3 S+ 0 0 119 1,-0.2 -3,-0.0 2,-0.0 0, 0.0 0.211 116.5 52.6-108.1 11.5 29.4 53.8 -1.0 40 39 A A B < S-D 37 0B 49 -3,-1.1 -3,-1.0 2,-0.0 -1,-0.2 -0.584 80.8-159.3-146.7 78.1 32.7 52.4 0.2 41 40 A P - 0 0 96 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.156 15.5-138.6 -66.1 151.4 33.7 49.2 -1.7 42 41 A D > - 0 0 31 1,-0.1 4,-2.6 -5,-0.1 5,-0.2 -0.945 14.7-161.1-107.3 106.0 36.1 46.6 -0.6 43 42 A A H > S+ 0 0 74 -2,-0.7 4,-0.9 1,-0.2 -1,-0.1 0.786 88.2 52.1 -65.0 -32.0 38.0 45.7 -3.8 44 43 A A H 4 S+ 0 0 53 2,-0.2 4,-0.4 1,-0.2 3,-0.3 0.890 112.0 46.9 -69.2 -41.0 39.3 42.4 -2.5 45 44 A L H >> S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 3,-2.2 0.939 106.6 58.7 -61.6 -47.9 35.8 41.3 -1.5 46 45 A N H 3< S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.736 97.6 60.3 -56.3 -26.2 34.5 42.5 -4.9 47 46 A Q T 3< S+ 0 0 170 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.694 117.3 31.5 -75.3 -17.7 36.8 40.1 -6.7 48 47 A D T <4 S+ 0 0 34 -3,-2.2 -2,-0.2 -4,-0.4 -1,-0.1 0.779 133.2 27.3-105.7 -44.9 35.1 37.2 -4.9 49 48 A N >< - 0 0 2 -4,-3.3 3,-2.4 1,-0.1 -1,-0.3 -0.901 66.2-163.4-120.8 104.4 31.6 38.5 -4.5 50 49 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.734 88.1 66.1 -57.1 -25.0 30.7 41.0 -7.3 51 50 A L T 3 S- 0 0 121 2,-0.1 3,-0.1 -6,-0.1 -5,-0.1 0.602 104.3-130.9 -73.0 -10.5 27.7 42.2 -5.3 52 51 A G < + 0 0 19 -3,-2.4 2,-0.3 1,-0.2 -6,-0.1 0.940 61.1 128.5 60.5 48.4 30.2 43.6 -2.7 53 52 A K - 0 0 144 -4,-0.2 -1,-0.2 -8,-0.1 -2,-0.1 -0.975 50.2 -98.8-132.0 151.4 28.4 42.1 0.3 54 53 A I S S+ 0 0 18 -2,-0.3 -41,-0.2 -3,-0.1 -42,-0.2 -0.882 85.4 52.8-112.4 150.9 29.4 39.9 3.2 55 54 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 12,-0.3 0.477 63.6 158.7 -76.8 157.2 29.4 37.1 4.1 56 55 A A - 0 0 0 -51,-0.4 -51,-2.7 -2,-0.2 2,-0.5 -0.969 25.9-149.5-138.1 140.1 31.1 35.4 1.2 57 56 A L E -BC 4 65A 1 8,-2.8 8,-3.1 -2,-0.3 2,-0.6 -0.937 1.8-156.5-116.7 120.7 32.7 32.0 1.5 58 57 A R E -BC 3 64A 74 -55,-3.3 -55,-2.0 -2,-0.5 6,-0.2 -0.830 20.5-142.3 -94.9 125.9 35.7 31.0 -0.5 59 58 A L > - 0 0 19 4,-3.6 3,-1.9 -2,-0.6 -57,-0.1 -0.222 28.7 -96.3 -83.1 174.0 36.0 27.1 -0.8 60 59 A D T 3 S+ 0 0 135 1,-0.3 -1,-0.1 2,-0.1 -58,-0.1 0.782 125.5 50.5 -58.6 -29.4 39.2 25.0 -0.7 61 60 A N T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.302 122.6-101.6 -95.2 5.5 39.1 24.9 -4.5 62 61 A G S < S+ 0 0 44 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.0 0.149 77.9 134.5 95.6 -20.2 38.8 28.7 -5.0 63 62 A Q - 0 0 111 -5,-0.1 -4,-3.6 1,-0.1 2,-0.4 -0.296 46.8-139.2 -62.1 147.4 35.1 28.7 -5.7 64 63 A V E -C 58 0A 31 -6,-0.2 2,-0.4 -16,-0.1 -6,-0.2 -0.941 11.8-160.0-115.6 131.3 33.0 31.4 -3.9 65 64 A L E -C 57 0A 24 -8,-3.1 -8,-2.8 -2,-0.4 2,-0.3 -0.887 19.0-161.3-106.6 141.1 29.6 31.0 -2.3 66 65 A Y + 0 0 83 -2,-0.4 2,-0.1 -10,-0.2 -10,-0.1 -0.924 41.2 39.7-159.1 164.8 27.1 33.8 -1.4 67 66 A D S >> S- 0 0 80 -12,-0.3 4,-2.3 -2,-0.3 3,-0.6 0.599 75.7-103.8 -89.6-158.1 24.8 35.0 -0.1 68 67 A S H 3> S+ 0 0 5 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.870 118.7 52.6 -55.8 -43.7 24.3 34.1 3.6 69 68 A R H 3> S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.867 110.9 47.6 -63.6 -35.7 21.4 31.7 3.0 70 69 A V H <> S+ 0 0 71 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.912 113.2 48.6 -67.4 -43.3 23.4 29.8 0.3 71 70 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.915 110.6 51.3 -62.4 -43.4 26.5 29.6 2.7 72 71 A L H X S+ 0 0 1 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.916 110.0 49.1 -61.5 -42.0 24.2 28.4 5.6 73 72 A D H X S+ 0 0 61 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.935 112.5 48.7 -64.7 -44.4 22.8 25.6 3.4 74 73 A Y H >< S+ 0 0 55 -4,-2.4 3,-0.9 1,-0.2 4,-0.4 0.955 113.1 45.2 -57.9 -53.4 26.3 24.6 2.3 75 74 A L H >X S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.3 4,-0.5 0.833 106.8 59.3 -66.3 -31.0 27.8 24.5 5.8 76 75 A D H 3< S+ 0 0 8 -4,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.762 106.1 49.6 -68.6 -24.1 24.7 22.6 7.2 77 76 A Q T << S+ 0 0 138 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.508 98.3 71.5 -88.2 -4.6 25.4 19.8 4.7 78 77 A Q T <4 S+ 0 0 80 -3,-1.1 2,-0.2 -4,-0.4 -2,-0.2 0.673 90.8 60.2 -87.0 -20.6 29.1 19.7 5.7 79 78 A H S < S- 0 0 34 -4,-0.5 -55,-0.1 -3,-0.3 -54,-0.0 -0.695 72.4-136.8-108.5 165.1 28.7 18.1 9.1 80 79 A V S S+ 0 0 153 -2,-0.2 -1,-0.1 -57,-0.1 -4,-0.0 0.357 72.0 98.4-105.6 5.1 27.2 14.8 10.2 81 80 A G S S- 0 0 46 1,-0.2 -2,-0.1 -58,-0.2 3,-0.1 -0.050 94.3 -51.7 -74.7-174.0 25.2 16.0 13.2 82 81 A N - 0 0 137 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 -0.426 69.0-108.8 -62.0 131.5 21.5 16.8 13.2 83 82 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.339 15.2-152.1 -64.3 139.5 20.7 19.2 10.3 84 83 A L S S+ 0 0 14 1,-0.2 73,-2.7 72,-0.1 74,-0.3 0.605 89.6 56.1 -85.1 -13.3 19.9 22.8 11.3 85 84 A I S S- 0 0 9 71,-0.2 -1,-0.2 72,-0.1 7,-0.1 -0.979 96.9-119.7-115.3 122.4 17.8 23.0 8.1 86 85 A P - 0 0 26 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.305 15.7-145.7 -58.9 133.6 15.1 20.4 7.7 87 86 A R S S- 0 0 174 1,-0.1 2,-0.2 -4,-0.1 0, 0.0 0.827 70.8 -21.1 -76.0 -27.9 15.7 18.4 4.6 88 87 A D S S+ 0 0 107 4,-0.0 4,-0.4 0, 0.0 3,-0.1 -0.861 89.7 80.0-157.9-168.7 12.0 17.9 3.8 89 88 A G S >> S- 0 0 40 -2,-0.2 3,-1.1 1,-0.2 4,-0.8 -0.074 94.4 -66.5 82.5 170.3 8.5 17.9 5.3 90 89 A S H 3> S+ 0 0 108 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.820 130.5 70.0 -67.1 -27.3 6.4 20.9 6.1 91 90 A A H 3> S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.837 90.1 62.4 -55.7 -34.2 9.0 21.8 8.7 92 91 A R H <> S+ 0 0 61 -3,-1.1 4,-2.2 -4,-0.4 -1,-0.2 0.972 110.7 34.6 -60.6 -51.6 11.4 22.6 5.9 93 92 A W H X S+ 0 0 157 -4,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.813 117.2 54.6 -79.6 -22.5 9.4 25.4 4.4 94 93 A R H X S+ 0 0 74 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.958 113.8 40.4 -67.4 -50.8 8.1 26.6 7.7 95 94 A R H X S+ 0 0 20 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.862 115.0 52.4 -69.0 -35.3 11.6 27.0 9.2 96 95 A L H X S+ 0 0 51 -4,-2.2 4,-1.9 -5,-0.4 -1,-0.2 0.865 109.3 50.1 -69.4 -30.5 12.9 28.5 6.0 97 96 A T H X S+ 0 0 84 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.911 109.3 50.5 -71.6 -42.7 10.1 31.0 5.9 98 97 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.910 110.6 50.1 -59.0 -41.9 10.8 32.0 9.5 99 98 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.890 109.7 51.0 -63.1 -38.7 14.5 32.4 8.6 100 99 A A H X S+ 0 0 37 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.812 106.7 54.1 -67.9 -30.5 13.4 34.6 5.6 101 100 A L H X S+ 0 0 35 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.939 109.5 48.0 -66.6 -47.2 11.3 36.7 8.0 102 101 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.919 110.4 51.2 -58.1 -44.8 14.5 37.2 10.1 103 102 A D H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.876 107.4 54.2 -59.0 -38.2 16.4 38.1 6.9 104 103 A G H X S+ 0 0 30 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.868 106.2 51.5 -64.2 -37.7 13.7 40.6 6.0 105 104 A I H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.946 112.5 46.0 -62.3 -46.3 14.1 42.2 9.4 106 105 A X H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.886 110.0 54.5 -62.2 -41.0 17.9 42.5 8.8 107 106 A D H X S+ 0 0 80 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.936 113.7 40.4 -59.7 -48.0 17.3 43.8 5.3 108 107 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 114.7 51.6 -68.2 -42.6 15.1 46.7 6.5 109 108 A S H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.847 110.7 48.6 -69.6 -30.3 17.2 47.4 9.6 110 109 A V H X S+ 0 0 19 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.881 109.3 52.8 -72.2 -38.7 20.4 47.7 7.4 111 110 A L H X S+ 0 0 78 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.909 111.2 46.7 -63.0 -42.4 18.6 50.0 4.9 112 111 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.923 110.7 53.1 -61.9 -45.8 17.6 52.3 7.7 113 112 A R H X S+ 0 0 82 -4,-1.8 4,-1.7 1,-0.2 5,-0.3 0.888 109.7 47.2 -58.1 -44.1 21.1 52.2 9.2 114 113 A Y H X>S+ 0 0 81 -4,-2.2 4,-1.8 2,-0.2 5,-0.7 0.871 113.1 50.0 -65.2 -38.5 22.7 53.2 5.9 115 114 A E H X5S+ 0 0 13 -4,-1.7 4,-1.0 -5,-0.2 -2,-0.2 0.936 116.8 38.4 -65.3 -48.9 20.2 56.0 5.4 116 115 A L H <5S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.717 125.7 35.5 -77.9 -25.0 20.7 57.6 8.9 117 116 A A H <5S+ 0 0 48 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.675 129.3 24.7-105.5 -22.2 24.4 57.1 9.2 118 117 A L H <5S+ 0 0 96 -4,-1.8 2,-0.4 -5,-0.3 -3,-0.2 0.632 101.3 81.5-120.3 -22.1 25.7 57.6 5.6 119 118 A R S < - 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0 0 153 -3,-0.7 3,-0.1 -4,-0.4 -3,-0.0 -0.224 60.3-102.6 -58.5 146.1 28.2 39.4 19.8 203 202 A P - 0 0 31 0, 0.0 -194,-0.2 0, 0.0 -1,-0.1 -0.376 52.8 -81.4 -69.0 154.5 28.8 42.6 17.9 204 203 A P 0 0 65 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.208 360.0 360.0 -62.3 143.5 31.6 44.9 19.2 205 204 A V 0 0 192 -3,-0.1 0, 0.0 0, 0.0 0, 0.0 0.944 360.0 360.0 -74.9 360.0 31.1 47.3 22.2