==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-SEP-11 3TOT . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA SOLANACEARUM; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,W.D.ZENCHECK,B.HILLERICH,R.D.SE . 414 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.4 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 . 2 0.5 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 . 24 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 4 0 0 0 0 0 2 2 1 1 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A V 0 0 67 0, 0.0 26,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 131.1 31.5 32.2 9.4 2 3 A M - 0 0 21 24,-0.5 26,-2.7 1,-0.1 2,-0.5 -0.293 360.0-137.6 -63.0 149.5 29.9 31.1 12.7 3 4 A K E -aB 28 54A 69 51,-2.7 51,-3.4 24,-0.2 2,-0.6 -0.937 8.2-156.6-111.4 127.9 30.6 33.1 15.8 4 5 A L E -aB 29 53A 0 24,-2.8 26,-3.3 -2,-0.5 2,-0.5 -0.920 8.7-154.3-102.4 117.3 31.3 31.4 19.1 5 6 A I E +aB 30 52A 6 47,-3.2 47,-1.6 -2,-0.6 2,-0.3 -0.789 44.8 104.5 -88.1 127.0 30.5 33.7 22.1 6 7 A G E -a 31 0A 0 24,-2.3 26,-2.2 -2,-0.5 2,-0.3 -0.932 59.1-101.4-172.1-167.0 32.6 32.7 25.1 7 8 A S - 0 0 33 -2,-0.3 7,-0.1 24,-0.2 6,-0.1 -0.938 27.7-118.6-134.4 160.4 35.5 33.5 27.4 8 9 A H S S+ 0 0 45 -2,-0.3 196,-0.1 1,-0.2 -1,-0.1 0.866 114.9 49.7 -62.7 -36.4 39.0 32.1 27.6 9 10 A A S S+ 0 0 13 194,-0.1 -1,-0.2 195,-0.1 194,-0.1 0.847 83.6 103.3 -72.9 -35.8 38.4 30.9 31.2 10 11 A S > - 0 0 13 1,-0.2 4,-2.1 192,-0.1 -3,-0.1 -0.256 54.0-163.8 -56.5 116.7 35.1 29.1 30.5 11 12 A P H > S+ 0 0 6 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.786 90.3 55.2 -76.4 -24.8 35.8 25.4 30.4 12 13 A Y H > S+ 0 0 41 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.882 109.8 47.5 -69.8 -38.7 32.5 24.6 28.6 13 14 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 108.8 55.2 -63.1 -43.2 33.5 27.1 25.9 14 15 A R H X S+ 0 0 11 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.919 102.5 55.9 -58.2 -44.8 36.9 25.4 25.8 15 16 A K H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.933 111.0 44.5 -52.2 -46.2 35.3 22.0 25.2 16 17 A V H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.914 112.1 51.6 -65.7 -42.7 33.5 23.5 22.1 17 18 A R H X S+ 0 0 14 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.883 110.6 49.0 -62.6 -39.6 36.7 25.3 20.9 18 19 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.937 111.6 49.2 -63.7 -44.3 38.7 22.0 21.2 19 20 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.933 111.1 49.6 -59.1 -48.8 35.9 20.2 19.2 20 21 A L H X>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 4,-0.5 0.875 112.3 48.3 -60.1 -38.7 35.9 22.9 16.5 21 22 A A H ><5S+ 0 0 26 -4,-2.2 3,-0.8 2,-0.2 -2,-0.2 0.926 112.5 47.1 -67.6 -45.8 39.7 22.7 16.2 22 23 A E H 3<5S+ 0 0 26 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.856 114.6 48.0 -62.4 -34.9 39.7 18.9 16.0 23 24 A K H 3<5S- 0 0 1 -4,-2.5 54,-0.4 -5,-0.2 -1,-0.2 0.534 108.4-127.3 -82.3 -7.6 36.9 19.1 13.4 24 25 A K T <<5 + 0 0 159 -3,-0.8 2,-0.5 -4,-0.5 -3,-0.2 0.852 53.0 157.4 59.5 39.2 38.8 21.8 11.4 25 26 A I < - 0 0 28 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.849 38.9-131.8 -96.9 125.1 35.7 24.1 11.5 26 27 A D + 0 0 120 -2,-0.5 -24,-0.5 2,-0.0 2,-0.3 -0.505 38.5 155.1 -71.8 141.2 36.4 27.8 11.0 27 28 A Y - 0 0 51 -2,-0.2 2,-0.5 -26,-0.1 -24,-0.2 -0.970 41.6-117.2-158.0 161.5 34.7 30.1 13.5 28 29 A Q E -a 3 0A 88 -26,-2.7 -24,-2.8 -2,-0.3 2,-0.7 -0.948 26.4-138.8-106.9 125.5 35.2 33.6 15.0 29 30 A F E -a 4 0A 53 -2,-0.5 2,-0.6 -26,-0.2 -24,-0.2 -0.747 18.2-166.0 -87.7 116.7 35.8 33.7 18.8 30 31 A V E -a 5 0A 53 -26,-3.3 -24,-2.3 -2,-0.7 2,-0.2 -0.908 13.9-137.7-110.2 112.7 33.8 36.5 20.3 31 32 A L E +a 6 0A 102 -2,-0.6 2,-0.3 -26,-0.2 -24,-0.2 -0.472 29.0 169.9 -75.9 132.8 34.8 37.4 23.9 32 33 A E - 0 0 34 -26,-2.2 2,-0.7 -2,-0.2 3,-0.1 -0.998 31.0-146.5-144.6 139.4 32.0 38.1 26.4 33 34 A D > - 0 0 87 -2,-0.3 3,-1.6 1,-0.1 8,-0.1 -0.907 12.9-172.1-106.0 100.8 31.8 38.6 30.2 34 35 A V T 3 S+ 0 0 16 -2,-0.7 -1,-0.1 1,-0.3 5,-0.1 0.617 82.5 61.8 -70.5 -12.3 28.4 37.2 31.1 35 36 A W T 3 S+ 0 0 91 -3,-0.1 2,-0.3 3,-0.1 -1,-0.3 0.480 80.2 102.8 -90.6 -6.8 28.9 38.5 34.7 36 37 A N S X S- 0 0 77 -3,-1.6 3,-2.1 1,-0.1 -3,-0.0 -0.612 76.1-132.3 -76.1 135.6 29.0 42.2 33.5 37 38 A A T 3 S+ 0 0 103 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.770 108.4 52.4 -58.1 -26.1 25.8 44.2 34.1 38 39 A D T 3 S+ 0 0 148 -5,-0.1 -1,-0.3 2,-0.0 -4,-0.1 0.208 81.2 143.4 -95.8 13.6 26.1 45.4 30.5 39 40 A T < - 0 0 36 -3,-2.1 3,-0.2 1,-0.1 -5,-0.1 -0.174 42.4-156.3 -57.0 145.5 26.4 41.9 29.0 40 41 A Q > + 0 0 87 1,-0.1 3,-2.0 2,-0.1 4,-0.3 0.322 62.6 111.0 -98.9 4.8 24.7 41.3 25.6 41 42 A I G >> + 0 0 1 1,-0.3 4,-3.0 2,-0.2 3,-2.2 0.824 68.5 60.3 -56.4 -35.3 24.5 37.5 26.2 42 43 A H G 34 S+ 0 0 35 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.661 90.7 69.9 -72.6 -13.2 20.7 37.3 26.5 43 44 A Q G <4 S+ 0 0 161 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.608 119.9 17.9 -71.6 -12.0 20.4 38.7 23.0 44 45 A F T <4 S+ 0 0 67 -3,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.669 131.0 37.4-125.4 -48.7 21.7 35.3 21.8 45 46 A N >< - 0 0 3 -4,-3.0 3,-2.1 1,-0.1 -1,-0.3 -0.946 63.5-156.2-110.5 115.0 21.4 32.7 24.6 46 47 A P T 3 S+ 0 0 9 0, 0.0 302,-0.3 0, 0.0 301,-0.2 0.784 95.8 59.0 -59.0 -26.9 18.2 33.1 26.6 47 48 A L T 3 S- 0 0 9 300,-0.1 297,-0.1 2,-0.1 -5,-0.1 0.584 107.0-129.0 -76.3 -11.4 19.9 31.3 29.5 48 49 A G < + 0 0 1 -3,-2.1 2,-0.3 1,-0.2 -6,-0.1 0.733 64.4 123.2 73.2 26.1 22.6 34.0 29.6 49 50 A K - 0 0 101 -8,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.800 54.2 -93.7-121.3 157.0 25.5 31.5 29.5 50 51 A V S S+ 0 0 20 -2,-0.3 -37,-0.2 -3,-0.1 -38,-0.2 -0.878 86.2 56.3-110.4 151.1 28.5 30.8 27.4 51 52 A P + 0 0 4 0, 0.0 2,-0.4 0, 0.0 12,-0.3 0.455 62.2 161.9 -78.8 156.0 29.3 29.1 25.0 52 53 A C E -B 5 0A 0 -47,-1.6 -47,-3.2 -2,-0.1 2,-0.5 -0.982 25.8-149.2-137.6 127.3 26.7 30.2 22.5 53 54 A L E -BC 4 61A 0 8,-2.5 8,-2.6 -2,-0.4 2,-0.5 -0.867 10.6-161.4 -99.6 124.3 27.2 29.5 18.8 54 55 A V E -BC 3 60A 11 -51,-3.4 -51,-2.7 -2,-0.5 6,-0.2 -0.929 9.3-145.6-111.3 126.4 25.7 32.0 16.4 55 56 A M > - 0 0 35 4,-3.1 3,-2.0 -2,-0.5 -53,-0.0 -0.278 32.2 -96.1 -84.4 170.4 25.1 31.0 12.7 56 57 A D T 3 S+ 0 0 125 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.827 125.5 50.2 -51.5 -38.1 25.4 33.2 9.6 57 58 A D T 3 S- 0 0 140 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.388 123.8-101.1 -85.5 1.5 21.6 33.8 9.7 58 59 A G S < S+ 0 0 46 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.0 0.279 73.5 144.8 99.0 -11.2 21.5 34.8 13.3 59 60 A G - 0 0 32 -5,-0.1 -4,-3.1 1,-0.1 2,-0.4 -0.332 38.1-144.8 -63.1 141.3 20.3 31.4 14.7 60 61 A A E -C 54 0A 32 -6,-0.2 2,-0.4 -16,-0.1 -6,-0.2 -0.902 12.2-163.0-120.6 140.2 21.8 30.6 18.1 61 62 A L E -C 53 0A 12 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.3 -0.950 17.1-160.1-124.6 143.8 22.8 27.2 19.6 62 63 A F + 0 0 10 -2,-0.4 247,-0.2 -10,-0.2 248,-0.2 -0.927 40.4 39.9-166.1 163.1 23.5 26.2 23.2 63 64 A D S > S- 0 0 45 -2,-0.3 4,-2.5 -12,-0.3 3,-0.3 0.621 70.8-108.4 -87.9-159.7 24.5 24.6 25.5 64 65 A S H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.846 118.4 52.9 -59.0 -35.4 28.1 23.2 25.1 65 66 A R H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 111.2 45.4 -65.0 -41.6 26.8 19.6 24.7 66 67 A V H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.908 114.5 48.9 -68.6 -42.1 24.4 20.6 21.9 67 68 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.935 111.5 48.5 -63.0 -48.1 27.1 22.7 20.2 68 69 A A H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.885 112.2 49.9 -59.2 -42.3 29.7 19.9 20.3 69 70 A E H X S+ 0 0 12 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.927 112.5 45.9 -62.8 -47.4 27.2 17.4 19.0 70 71 A Y H >X S+ 0 0 62 -4,-2.5 3,-1.2 1,-0.2 4,-0.6 0.938 109.9 55.3 -59.2 -45.9 26.2 19.7 16.1 71 72 A A H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.3 4,-0.4 0.854 99.4 60.2 -60.2 -36.7 29.9 20.4 15.3 72 73 A D H 3< S+ 0 0 15 -4,-1.9 3,-0.5 1,-0.2 -1,-0.3 0.802 104.5 51.2 -61.2 -28.1 30.8 16.7 15.0 73 74 A T H << S+ 0 0 102 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.636 97.1 69.4 -80.1 -16.6 28.2 16.5 12.1 74 75 A L S << S+ 0 0 72 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.528 103.3 31.5 -83.4 -9.9 29.7 19.4 10.1 75 76 A S - 0 0 22 -3,-0.5 -51,-0.1 -4,-0.4 -50,-0.1 -0.994 63.1-138.0-149.9 147.8 32.9 17.9 9.1 76 77 A P S S+ 0 0 130 0, 0.0 2,-0.6 0, 0.0 -4,-0.0 0.463 70.4 114.1 -86.3 -1.2 34.3 14.4 8.2 77 78 A V S S- 0 0 64 -54,-0.4 -2,-0.1 2,-0.0 0, 0.0 -0.646 87.6 -25.6 -77.0 115.9 37.5 15.0 10.1 78 79 A A - 0 0 50 -2,-0.6 2,-0.4 1,-0.1 -3,-0.1 0.240 68.3-112.3 63.4 165.8 37.5 12.6 13.0 79 80 A R + 0 0 130 75,-0.3 -1,-0.1 1,-0.1 74,-0.1 -0.868 34.1 175.0-131.3 102.7 34.4 11.1 14.6 80 81 A L S S+ 0 0 2 -2,-0.4 76,-2.7 1,-0.2 77,-0.4 0.691 70.3 43.0 -86.1 -19.4 34.1 12.5 18.1 81 82 A I S S- 0 0 4 74,-0.2 -1,-0.2 75,-0.1 7,-0.1 -0.971 87.5-124.5-128.1 118.5 30.7 10.9 18.9 82 83 A P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.228 22.4-124.1 -56.3 145.7 30.0 7.3 17.9 83 84 A P S S- 0 0 71 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.745 71.8 -39.5 -69.4 -23.0 26.9 6.9 15.8 84 85 A S S > S+ 0 0 74 202,-0.0 4,-1.1 0, 0.0 3,-0.4 -0.962 88.2 58.9-175.2-172.7 25.1 4.4 18.0 85 86 A G H > S- 0 0 55 -2,-0.3 4,-1.4 1,-0.2 3,-0.4 -0.111 102.5 -28.1 65.8-158.1 25.0 1.5 20.3 86 87 A R H > S+ 0 0 179 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.846 133.0 57.9 -60.8 -41.2 26.9 1.1 23.5 87 88 A E H > S+ 0 0 94 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.846 103.5 52.1 -64.3 -38.3 29.8 3.3 22.5 88 89 A R H X S+ 0 0 42 -4,-1.1 4,-2.5 -3,-0.4 -1,-0.2 0.957 111.8 45.5 -63.7 -49.3 27.6 6.4 21.9 89 90 A V H X S+ 0 0 21 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.898 112.1 51.8 -63.6 -40.4 26.0 6.1 25.3 90 91 A E H X S+ 0 0 57 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.915 111.0 47.6 -59.6 -45.4 29.3 5.6 27.1 91 92 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.918 112.3 49.4 -63.8 -42.5 30.8 8.7 25.3 92 93 A R H X S+ 0 0 6 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.884 111.9 49.1 -62.0 -41.6 27.7 10.8 26.3 93 94 A C H X S+ 0 0 19 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.906 108.7 52.4 -66.0 -42.0 28.0 9.6 29.9 94 95 A W H X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.900 109.0 51.2 -57.6 -41.8 31.7 10.4 30.0 95 96 A E H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.916 109.7 49.3 -63.3 -40.6 30.8 13.9 28.8 96 97 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 179,-0.2 -2,-0.2 0.865 109.8 52.0 -66.6 -34.0 28.2 14.2 31.6 97 98 A L H X S+ 0 0 11 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.937 114.1 42.3 -68.2 -46.1 30.7 13.1 34.2 98 99 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 114.7 50.5 -63.7 -44.9 33.3 15.7 33.0 99 100 A D H X S+ 0 0 6 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.863 109.5 52.1 -61.5 -37.0 30.6 18.4 32.7 100 101 A G H X S+ 0 0 6 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.859 106.8 51.5 -68.6 -38.2 29.4 17.6 36.2 101 102 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.942 112.6 47.7 -58.4 -46.5 33.0 18.0 37.6 102 103 A L H X S+ 0 0 1 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.908 106.9 56.2 -59.7 -43.0 33.0 21.3 35.8 103 104 A D H X S+ 0 0 60 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.903 111.4 43.9 -56.6 -43.1 29.6 22.2 37.3 104 105 A A H X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.917 115.1 46.8 -69.9 -44.1 31.0 21.6 40.8 105 106 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.902 114.6 47.7 -65.0 -40.8 34.3 23.5 40.1 106 107 A V H X S+ 0 0 35 -4,-3.4 4,-2.6 2,-0.2 5,-0.2 0.884 106.0 57.9 -65.7 -38.9 32.3 26.5 38.5 107 108 A A H X S+ 0 0 20 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.900 107.0 49.9 -55.9 -39.8 29.9 26.4 41.5 108 109 A L H X S+ 0 0 11 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.892 108.7 50.6 -64.2 -41.9 33.0 27.0 43.6 109 110 A R H X S+ 0 0 75 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.888 111.2 49.4 -62.9 -39.5 34.2 29.9 41.4 110 111 A V H X S+ 0 0 16 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.886 105.5 56.6 -67.5 -39.3 30.7 31.5 41.7 111 112 A E H < S+ 0 0 7 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.830 113.4 42.6 -61.4 -30.8 30.9 31.0 45.5 112 113 A Q H < S+ 0 0 105 -4,-1.4 -2,-0.2 -5,-0.1 3,-0.2 0.951 124.4 31.1 -75.4 -52.6 34.1 33.1 45.3 113 114 A T H < S+ 0 0 56 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.716 124.2 39.2 -86.8 -23.5 33.0 35.8 42.8 114 115 A Q S < S+ 0 0 54 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 0.360 105.7 66.0-112.7 1.7 29.3 36.3 43.4 115 116 A R S S- 0 0 15 -4,-0.3 5,-0.1 -5,-0.3 218,-0.0 -0.975 77.1-127.3-123.3 140.1 29.0 36.0 47.2 116 117 A T >> - 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0 0 30 -3,-2.0 3,-0.2 1,-0.1 -5,-0.1 -0.155 42.2-153.6 -54.2 147.0 22.7 10.2 51.2 253 41 B Q > + 0 0 132 1,-0.1 3,-1.9 2,-0.1 4,-0.3 0.258 63.3 111.6-105.0 11.6 23.9 7.0 49.5 254 42 B I G >> + 0 0 2 1,-0.3 4,-2.9 2,-0.2 3,-2.0 0.805 64.1 68.7 -59.4 -32.6 23.7 8.5 45.9 255 43 B H G 34 S+ 0 0 36 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.632 83.6 72.3 -66.3 -13.6 27.5 8.6 45.4 256 44 B Q G <4 S+ 0 0 142 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.805 118.7 16.8 -63.3 -27.4 27.6 4.8 45.3 257 45 B F T <4 S+ 0 0 71 -3,-2.0 -2,-0.2 -4,-0.3 -3,-0.1 0.776 130.9 39.4-117.7 -44.7 25.9 5.1 41.9 258 46 B N >< - 0 0 2 -4,-2.9 3,-2.1 1,-0.1 -1,-0.3 -0.938 61.5-158.9-114.3 111.9 26.3 8.7 40.6 259 47 B P T 3 S+ 0 0 13 0, 0.0 -124,-0.3 0, 0.0 -125,-0.2 0.782 94.9 59.5 -54.8 -27.9 29.7 10.3 41.3 260 48 B L T 3 S- 0 0 10 -126,-0.1 -129,-0.1 2,-0.1 -5,-0.1 0.591 106.2-130.2 -79.1 -11.3 28.1 13.7 40.8 261 49 B G < + 0 0 2 -3,-2.1 2,-0.3 1,-0.2 -6,-0.1 0.780 63.6 124.8 69.9 30.2 25.7 13.0 43.7 262 50 B K - 0 0 99 -8,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.805 53.9 -96.3-120.7 157.0 22.7 14.0 41.6 263 51 B V S S+ 0 0 18 -2,-0.3 -37,-0.2 -3,-0.1 -38,-0.2 -0.919 86.1 57.7-112.7 147.8 19.3 12.4 40.6 264 52 B P + 0 0 4 0, 0.0 2,-0.4 0, 0.0 12,-0.3 0.415 62.2 161.4 -80.8 155.1 18.3 10.9 38.2 265 53 B C E -E 218 0B 0 -47,-1.6 -47,-3.3 -2,-0.1 2,-0.5 -0.978 25.2-150.4-137.1 128.4 20.6 8.0 38.0 266 54 B L E -EF 217 274B 1 8,-2.5 8,-2.8 -2,-0.4 2,-0.5 -0.859 9.1-163.5-101.4 125.9 19.7 4.8 36.0 267 55 B V E -EF 216 273B 15 -51,-3.3 -51,-2.9 -2,-0.5 6,-0.2 -0.951 9.6-149.8-113.6 120.9 21.2 1.6 37.2 268 56 B M > - 0 0 29 4,-2.8 3,-1.3 -2,-0.5 -53,-0.0 -0.207 32.0 -99.0 -79.3 173.0 21.1 -1.4 34.9 269 57 B D T 3 S+ 0 0 121 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.851 125.2 54.0 -61.4 -37.7 20.9 -5.2 35.7 270 58 B D T 3 S- 0 0 137 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.525 123.1-107.2 -73.2 -7.8 24.7 -5.5 35.2 271 59 B G < + 0 0 48 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.489 69.1 149.1 92.6 4.6 25.2 -2.6 37.7 272 60 B G - 0 0 27 -5,-0.0 -4,-2.8 1,-0.0 2,-0.4 -0.525 36.5-144.5 -69.8 136.5 26.2 -0.0 35.1 273 61 B A E -F 267 0B 32 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.888 12.9-164.7-109.8 136.3 25.1 3.5 36.2 274 62 B L E -F 266 0B 13 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.3 -0.949 14.6-161.8-123.6 144.3 24.0 6.2 33.7 275 63 B F + 0 0 11 -2,-0.4 -179,-0.2 -10,-0.2 -178,-0.2 -0.919 39.9 40.7-167.0 162.8 23.6 9.9 34.2 276 64 B D S > S- 0 0 44 -2,-0.3 4,-2.5 -12,-0.3 3,-0.3 0.616 71.7-107.1 -87.8-157.5 22.6 12.7 33.7 277 65 B S H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.841 118.7 53.2 -60.7 -34.5 19.0 13.1 32.7 278 66 B R H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 111.0 45.7 -65.8 -41.8 19.9 14.0 29.0 279 67 B V H > S+ 0 0 2 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.926 114.3 48.3 -67.6 -44.7 22.1 10.8 28.7 280 68 B I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.931 111.3 49.7 -60.4 -48.2 19.4 8.6 30.3 281 69 B A H X S+ 0 0 2 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.913 112.2 48.6 -59.1 -42.4 16.6 10.1 28.1 282 70 B E H X S+ 0 0 11 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.925 112.3 47.8 -62.1 -47.1 18.8 9.5 24.9 283 71 B Y H >X S+ 0 0 49 -4,-2.6 3,-0.9 1,-0.2 4,-0.9 0.937 110.0 53.2 -58.9 -46.2 19.6 5.9 26.0 284 72 B A H >X S+ 0 0 1 -4,-2.9 4,-0.8 1,-0.3 3,-0.6 0.835 101.4 59.5 -60.2 -36.1 15.9 5.2 26.7 285 73 B D H 3< S+ 0 0 25 -4,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.828 107.5 46.7 -63.9 -30.7 14.9 6.4 23.3 286 74 B T H << S+ 0 0 103 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.644 102.3 66.1 -81.2 -18.7 17.1 3.7 21.7 287 75 B L H << S+ 0 0 77 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.720 105.3 34.7 -77.5 -24.1 15.9 0.9 24.0 288 76 B S < - 0 0 18 -4,-0.8 -1,-0.1 -3,-0.3 -51,-0.1 -0.976 62.1-143.5-137.4 143.7 12.3 0.8 22.7 289 77 B P + 0 0 128 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.459 69.6 110.4 -83.5 -3.4 10.6 1.2 19.4 290 78 B V S S- 0 0 54 -54,-0.4 -2,-0.1 2,-0.0 -52,-0.1 -0.671 85.6 -13.3 -76.2 121.0 7.5 2.9 20.9 291 79 B A S S- 0 0 42 -2,-0.5 2,-0.4 1,-0.1 -3,-0.1 0.194 70.7-112.7 66.6 165.2 7.5 6.6 19.9 292 80 B R + 0 0 200 75,-0.4 -1,-0.1 1,-0.1 -6,-0.1 -0.777 39.9 166.5-134.4 86.6 10.4 8.5 18.3 293 81 B L + 0 0 2 -2,-0.4 76,-2.9 1,-0.2 77,-0.4 0.736 66.0 39.1 -85.5 -22.4 11.6 11.1 20.8 294 82 B I S S- 0 0 12 74,-0.2 -1,-0.2 75,-0.1 7,-0.1 -0.985 85.9-124.2-128.4 119.1 14.9 12.2 19.3 295 83 B P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.298 21.1-127.7 -60.5 142.7 15.2 12.6 15.6 296 84 B P S S- 0 0 115 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.772 72.1 -23.7 -68.8 -22.0 18.1 10.4 14.2 297 85 B S S > S+ 0 0 77 0, 0.0 4,-0.9 0, 0.0 3,-0.5 -0.972 88.5 39.1-168.8 177.8 19.8 13.3 12.4 298 86 B G H >> S- 0 0 52 -2,-0.3 4,-1.5 1,-0.2 3,-0.5 -0.110 102.5 -22.2 68.1-156.6 20.1 16.6 10.6 299 87 B R H 3> S+ 0 0 183 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.828 132.4 57.1 -58.4 -39.3 18.4 19.8 11.5 300 88 B E H 3> S+ 0 0 93 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.858 104.1 52.5 -66.7 -37.2 15.6 18.3 13.5 301 89 B R H > - 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