==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAR-09 2WDU . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE SIGMA CLASS; . SOURCE 2 ORGANISM_SCIENTIFIC: FASCIOLA HEPATICA; . AUTHOR K.LINE,M.N.ISUPOV,E.J.LACOURSE,P.M.BROPHY,J.A.LITTLECHILD . 420 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.7 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 . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 47.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 2 0 0 0 5 1 2 0 2 0 2 2 0 0 0 0 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 D 0 0 216 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 67.2 11.3 -0.9 4.4 2 3 A K - 0 0 177 1,-0.1 60,-0.0 60,-0.1 59,-0.0 -0.798 360.0 -32.0-161.7-160.2 10.9 -0.9 8.2 3 4 A Q - 0 0 91 -2,-0.2 2,-0.3 54,-0.0 56,-0.2 -0.247 47.0-177.2 -72.2 158.5 8.9 0.5 11.2 4 5 A H E -A 58 0A 86 54,-1.5 54,-2.7 2,-0.0 2,-0.4 -0.957 12.8-156.2-154.3 143.8 7.4 4.0 11.3 5 6 A F E -A 57 0A 14 -2,-0.3 26,-3.3 52,-0.2 2,-0.5 -0.992 9.9-178.3-119.8 126.9 5.5 6.0 14.0 6 7 A K E -Ab 56 31A 46 50,-2.5 50,-3.4 -2,-0.4 2,-0.5 -0.967 8.1-163.3-126.4 118.1 3.1 8.9 13.1 7 8 A L E -Ab 55 32A 0 24,-2.8 26,-1.9 -2,-0.5 2,-0.5 -0.851 5.8-155.5 -96.8 129.8 1.4 10.7 15.9 8 9 A W E +Ab 54 33A 29 46,-3.6 46,-1.4 -2,-0.5 2,-0.3 -0.926 32.5 123.9-108.1 128.3 -1.6 12.9 15.1 9 10 A Y E - b 0 34A 25 24,-2.1 26,-2.2 -2,-0.5 4,-0.0 -0.975 56.1 -85.0-159.7 173.2 -2.6 15.9 17.3 10 11 A F E - b 0 35A 35 -2,-0.3 2,-1.8 24,-0.2 26,-0.2 -0.183 61.0 -85.9 -67.3 176.1 -3.4 19.5 17.6 11 12 A Q S S+ 0 0 99 24,-0.7 2,-0.3 23,-0.1 -1,-0.1 -0.502 101.4 94.2 -85.0 63.0 -0.5 22.1 18.1 12 13 A F S S- 0 0 58 -2,-1.8 4,-0.1 1,-0.2 194,-0.0 -0.950 75.3-134.1-147.2 160.1 -0.8 21.5 21.8 13 14 A R >> + 0 0 9 -2,-0.3 4,-2.0 3,-0.1 3,-1.2 0.939 69.0 114.9 -79.3 -65.2 0.8 19.4 24.5 14 15 A G T 34 S- 0 0 5 196,-3.3 3,-0.4 1,-0.2 154,-0.1 0.065 93.4 -11.9 41.1-128.9 -2.5 18.3 26.1 15 16 A R T 34 S+ 0 0 46 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.691 134.4 59.8 -77.7 -20.1 -3.2 14.6 25.8 16 17 A A T X> S+ 0 0 0 -3,-1.2 4,-1.7 1,-0.2 3,-1.2 0.803 82.3 80.8 -75.8 -31.9 -0.4 13.9 23.2 17 18 A E H 3X S+ 0 0 3 -4,-2.0 4,-3.1 -3,-0.4 5,-0.3 0.828 85.2 55.6 -56.2 -41.7 2.6 15.0 25.2 18 19 A P H 3> S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.900 109.3 50.3 -57.2 -32.9 3.1 11.9 27.3 19 20 A I H <> S+ 0 0 0 -3,-1.2 4,-2.6 -4,-0.3 5,-0.2 0.943 110.7 47.9 -69.1 -45.9 3.3 9.9 24.1 20 21 A R H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.910 113.4 48.0 -60.6 -45.0 5.9 12.3 22.6 21 22 A L H X S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.2 5,-0.2 0.915 110.9 51.6 -62.6 -41.2 8.0 12.2 25.9 22 23 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.953 112.3 44.3 -58.3 -49.8 7.8 8.4 25.9 23 24 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.3 0.908 114.9 50.6 -65.4 -39.7 9.0 8.0 22.3 24 25 A T H ><5S+ 0 0 8 -4,-2.4 3,-1.3 -5,-0.2 -1,-0.2 0.935 112.0 45.2 -61.5 -51.2 11.7 10.6 23.0 25 26 A a H 3<5S+ 0 0 24 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.837 110.3 55.1 -66.7 -30.0 13.0 8.9 26.2 26 27 A A T 3<5S- 0 0 37 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.486 113.6-120.0 -75.8 -7.3 12.9 5.5 24.4 27 28 A G T < 5 + 0 0 43 -3,-1.3 2,-0.6 -4,-0.3 -3,-0.2 0.763 63.0 147.7 72.9 27.8 15.2 6.9 21.7 28 29 A V < - 0 0 32 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.1 -0.850 43.9-136.4-101.9 119.3 12.6 6.2 19.0 29 30 A K + 0 0 162 -2,-0.6 2,-0.3 -3,-0.1 -24,-0.2 -0.479 33.5 172.0 -68.9 142.9 12.3 8.6 16.0 30 31 A F - 0 0 46 -2,-0.1 2,-0.8 -26,-0.1 -24,-0.2 -0.996 40.6-107.8-152.4 156.9 8.8 9.5 15.0 31 32 A E E -b 6 0A 76 -26,-3.3 -24,-2.8 -2,-0.3 2,-1.2 -0.794 30.5-159.9 -86.3 112.0 6.7 11.8 12.8 32 33 A D E -b 7 0A 55 -2,-0.8 2,-0.9 -26,-0.2 -24,-0.1 -0.724 9.6-168.9 -95.6 84.8 5.1 14.3 15.1 33 34 A Y E +b 8 0A 70 -26,-1.9 -24,-2.1 -2,-1.2 2,-0.5 -0.710 9.2 176.0 -85.1 110.6 2.2 15.6 13.1 34 35 A Q E -b 9 0A 53 -2,-0.9 -24,-0.2 -26,-0.2 2,-0.2 -0.947 10.7-167.3-115.1 106.6 0.7 18.7 14.7 35 36 A F E -b 10 0A 1 -26,-2.2 -24,-0.7 -2,-0.5 2,-0.1 -0.558 19.4-107.7 -98.4 159.6 -2.1 20.3 12.6 36 37 A T > - 0 0 41 -2,-0.2 4,-1.6 -26,-0.2 3,-0.3 -0.336 26.8-112.6 -79.9 162.0 -3.8 23.7 13.0 37 38 A M T 4 S+ 0 0 116 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.850 120.3 54.2 -55.7 -39.1 -7.3 24.4 14.2 38 39 A D T 4 S+ 0 0 149 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.810 108.3 48.1 -67.7 -32.2 -8.2 25.4 10.6 39 40 A Q T >> S+ 0 0 87 -3,-0.3 3,-1.4 1,-0.2 4,-0.8 0.787 94.9 78.7 -77.6 -28.4 -6.9 22.1 9.2 40 41 A W H >X S+ 0 0 31 -4,-1.6 4,-3.0 1,-0.3 3,-1.3 0.849 78.8 64.3 -53.9 -44.8 -8.8 20.0 11.7 41 42 A P H 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.797 109.6 41.1 -56.5 -26.0 -12.3 20.1 10.2 42 43 A T H <4 S+ 0 0 113 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.575 116.5 48.2 -97.3 -8.5 -11.1 18.3 7.1 43 44 A I H XX S+ 0 0 17 -3,-1.3 3,-2.3 -4,-0.8 4,-0.5 0.863 99.4 69.3 -88.1 -44.9 -8.9 15.8 9.0 44 45 A K G >< S+ 0 0 80 -4,-3.0 3,-1.4 1,-0.3 6,-0.2 0.802 92.3 55.0 -41.5 -50.6 -11.6 14.9 11.5 45 46 A P G 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.628 107.0 53.8 -69.7 -7.8 -14.0 12.9 9.1 46 47 A T G <4 S+ 0 0 89 -3,-2.3 -2,-0.2 2,-0.1 -3,-0.1 0.541 93.1 82.3 -98.7 -12.7 -11.1 10.7 8.1 47 48 A L S X< S- 0 0 10 -3,-1.4 3,-1.7 -4,-0.5 2,-0.2 -0.795 88.0-102.6-101.3 144.4 -10.0 9.5 11.6 48 49 A P G > S+ 0 0 47 0, 0.0 3,-0.6 0, 0.0 -2,-0.1 -0.400 108.5 4.1 -62.9 124.5 -11.6 6.6 13.6 49 50 A G G 3 S- 0 0 9 1,-0.2 299,-0.1 -2,-0.2 3,-0.1 0.227 106.9-105.6 82.3 -12.4 -13.7 8.1 16.3 50 51 A G G < S+ 0 0 9 -3,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.735 87.7 102.8 66.0 23.2 -13.1 11.6 15.0 51 52 A R < - 0 0 78 -3,-0.6 -1,-0.2 2,-0.1 18,-0.1 -0.929 60.0-100.0-134.7 159.9 -10.7 12.5 17.9 52 53 A V S S+ 0 0 21 -2,-0.3 2,-0.2 -3,-0.1 -43,-0.1 -0.887 76.4 66.5-123.0 160.8 -7.0 12.8 18.5 53 54 A P + 0 0 9 0, 0.0 16,-0.6 0, 0.0 2,-0.4 0.364 61.0 168.2 -69.2 153.1 -4.3 11.7 19.6 54 55 A L E -AC 8 68A 0 -46,-1.4 -46,-3.6 -2,-0.2 2,-0.5 -0.988 20.0-156.8-133.3 135.4 -4.0 8.9 17.1 55 56 A L E -AC 7 67A 2 12,-2.4 12,-3.1 -2,-0.4 2,-0.6 -0.976 3.2-159.6-114.2 118.3 -0.8 6.9 16.7 56 57 A D E -AC 6 66A 14 -50,-3.4 -50,-2.5 -2,-0.5 2,-0.6 -0.885 9.9-168.3 -97.4 117.9 -0.2 5.1 13.4 57 58 A V E -AC 5 65A 15 8,-3.0 8,-2.1 -2,-0.6 2,-0.7 -0.938 11.4-158.7-109.7 117.2 2.3 2.3 13.7 58 59 A T E -AC 4 64A 38 -54,-2.7 -54,-1.5 -2,-0.6 6,-0.2 -0.872 29.7-139.9 -92.0 115.0 3.7 0.7 10.6 59 60 A G > - 0 0 3 4,-2.9 3,-1.8 -2,-0.7 -1,-0.0 -0.007 25.2-100.2 -74.2 174.0 5.0 -2.6 11.8 60 61 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.791 126.9 61.0 -55.8 -28.0 8.1 -4.7 11.1 61 62 A D T 3 S- 0 0 86 2,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.303 117.7-115.3 -83.9 6.9 5.5 -6.5 8.8 62 63 A G S < S+ 0 0 40 -3,-1.8 2,-0.2 1,-0.2 -1,-0.1 0.374 75.4 129.0 77.0 -4.5 4.9 -3.4 6.8 63 64 A K - 0 0 119 -5,-0.1 -4,-2.9 1,-0.0 2,-0.4 -0.581 56.0-125.6 -89.6 147.7 1.2 -3.3 8.0 64 65 A L E -C 58 0A 93 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.745 23.2-179.2 -94.6 131.6 -0.5 -0.2 9.5 65 66 A R E -C 57 0A 114 -8,-2.1 -8,-3.0 -2,-0.4 2,-0.5 -1.000 14.1-153.2-128.3 132.0 -2.3 -0.3 12.9 66 67 A R E -C 56 0A 84 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.934 12.3-159.8-110.8 121.7 -4.0 2.9 14.1 67 68 A Y E -C 55 0A 44 -12,-3.1 -12,-2.4 -2,-0.5 2,-0.2 -0.874 4.8-164.3-111.1 137.3 -4.2 3.3 17.9 68 69 A Q E +C 54 0A 17 -2,-0.4 5,-0.2 -14,-0.2 -14,-0.1 -0.611 50.3 56.0-108.0 168.5 -6.6 5.5 19.8 69 70 A E S >> S- 0 0 26 -16,-0.6 4,-2.9 -2,-0.2 3,-1.3 0.933 70.5-125.2 71.5 106.8 -6.8 6.9 23.4 70 71 A S H 3> S+ 0 0 4 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.790 105.6 37.2 -50.0 -52.7 -3.7 8.8 24.6 71 72 A M H 3> S+ 0 0 4 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.580 114.3 55.8 -86.4 -8.5 -2.9 6.8 27.8 72 73 A A H <> S+ 0 0 2 -3,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.902 111.8 44.3 -73.2 -51.4 -3.9 3.4 26.2 73 74 A I H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.943 114.5 50.8 -53.5 -50.8 -1.3 4.2 23.4 74 75 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.878 110.1 47.4 -59.5 -42.0 1.2 5.3 26.1 75 76 A R H X S+ 0 0 12 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.882 111.3 51.0 -69.4 -39.5 0.8 2.2 28.2 76 77 A L H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.967 114.8 43.7 -59.3 -50.6 1.2 -0.2 25.2 77 78 A L H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.905 112.4 52.8 -60.1 -44.1 4.3 1.7 24.1 78 79 A A H <>S+ 0 0 0 -4,-2.6 5,-3.4 -5,-0.2 6,-0.5 0.904 108.6 49.3 -63.9 -40.8 5.6 1.8 27.7 79 80 A R H ><5S+ 0 0 68 -4,-2.7 3,-1.5 4,-0.2 -1,-0.2 0.945 112.5 48.8 -58.7 -46.6 5.2 -2.0 28.0 80 81 A Q H 3<5S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.867 114.7 45.2 -62.1 -36.1 7.0 -2.5 24.7 81 82 A F T 3<5S- 0 0 42 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.268 113.5-114.6 -93.1 10.8 9.8 -0.2 25.8 82 83 A K T < 5S+ 0 0 143 -3,-1.5 -3,-0.2 -4,-0.2 3,-0.2 0.880 84.8 118.9 57.9 40.0 10.2 -1.7 29.3 83 84 A M < + 0 0 6 -5,-3.4 74,-2.8 -6,-0.2 75,-0.4 0.065 49.4 78.9-121.5 24.0 9.0 1.6 30.9 84 85 A M S S- 0 0 8 -6,-0.5 -1,-0.1 1,-0.3 11,-0.1 0.046 110.6 -76.8-120.4 22.3 5.9 0.2 32.6 85 86 A G - 0 0 23 -3,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.189 26.3-125.9 92.8 147.1 7.6 -1.3 35.6 86 87 A E S S+ 0 0 131 -3,-0.1 2,-0.3 -4,-0.1 -1,-0.1 0.514 91.6 37.3-105.3 -10.4 9.6 -4.5 36.1 87 88 A T S > S- 0 0 67 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.893 87.8-109.1-133.1 164.3 7.6 -6.0 39.0 88 89 A D H > S+ 0 0 71 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.835 121.6 54.6 -61.4 -35.1 3.9 -6.0 39.9 89 90 A E H > S+ 0 0 92 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 108.3 47.5 -65.5 -41.8 4.7 -3.5 42.7 90 91 A E H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 110.9 51.9 -64.8 -41.7 6.4 -1.1 40.2 91 92 A Y H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.943 110.5 49.0 -56.6 -49.9 3.4 -1.5 37.9 92 93 A Y H X S+ 0 0 4 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.916 109.2 51.4 -54.2 -48.4 1.2 -0.6 40.8 93 94 A L H X S+ 0 0 19 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.911 111.6 48.3 -59.6 -40.1 3.3 2.5 41.8 94 95 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.938 112.5 47.5 -64.5 -47.1 3.1 3.7 38.2 95 96 A E H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.866 108.6 56.3 -66.1 -35.5 -0.7 3.2 38.0 96 97 A R H X S+ 0 0 21 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.961 110.5 42.9 -58.8 -50.8 -1.1 5.0 41.3 97 98 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.877 112.8 52.7 -64.6 -37.7 0.7 8.1 40.1 98 99 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.945 109.3 49.1 -64.7 -44.5 -1.1 8.1 36.8 99 100 A G H X S+ 0 0 14 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.941 114.2 45.8 -58.4 -46.9 -4.5 7.9 38.5 100 101 A E H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.934 114.6 47.8 -62.3 -45.3 -3.6 10.8 40.8 101 102 A C H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.809 103.1 61.3 -68.4 -29.9 -2.2 12.8 37.9 102 103 A E H X S+ 0 0 39 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.911 106.9 47.5 -61.6 -39.2 -5.3 12.1 35.7 103 104 A D H X S+ 0 0 29 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.925 113.4 46.8 -63.2 -44.5 -7.4 13.9 38.4 104 105 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.928 110.4 53.8 -62.8 -45.7 -4.9 16.8 38.6 105 106 A Y H X S+ 0 0 8 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.913 108.9 48.5 -55.8 -47.6 -4.8 17.0 34.8 106 107 A R H X S+ 0 0 90 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.906 109.8 52.1 -63.2 -41.2 -8.6 17.3 34.7 107 108 A E H X S+ 0 0 54 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.923 115.0 41.0 -57.2 -47.0 -8.6 20.1 37.4 108 109 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.860 111.4 54.4 -78.2 -32.4 -6.1 22.2 35.5 109 110 A Y H X S+ 0 0 54 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.905 106.2 54.5 -63.0 -40.6 -7.5 21.6 32.0 110 111 A T H < S+ 0 0 60 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.909 109.3 48.0 -57.1 -43.7 -10.9 22.9 33.4 111 112 A I H >< S+ 0 0 6 -4,-1.5 3,-2.2 1,-0.2 -2,-0.2 0.970 108.9 52.8 -62.4 -52.3 -9.1 26.0 34.6 112 113 A F H 3< S+ 0 0 65 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.863 110.5 48.9 -49.3 -40.6 -7.4 26.5 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4,-2.6 1,-0.2 5,-0.2 0.888 115.3 50.8 -66.6 -38.0 -17.8 9.1 23.7 346 136 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.834 108.5 52.8 -73.5 -29.2 -20.6 6.6 23.2 347 137 B K H X S+ 0 0 105 -4,-2.0 4,-3.0 -5,-0.3 5,-0.2 0.925 110.0 49.2 -66.5 -42.3 -19.6 6.2 19.5 348 138 B L H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.944 113.6 45.2 -61.8 -46.7 -16.0 5.6 20.6 349 139 B V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.933 112.8 51.7 -62.6 -40.6 -17.1 3.0 23.1 350 140 B S H X S+ 0 0 32 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.941 112.3 45.3 -62.3 -48.6 -19.5 1.4 20.6 351 141 B E H X S+ 0 0 85 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.890 112.0 52.3 -63.3 -41.4 -16.7 1.1 18.0 352 142 B S H X S+ 0 0 2 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.930 112.5 44.4 -55.2 -48.9 -14.2 -0.2 20.5 353 143 B L H ><>S+ 0 0 5 -4,-2.6 5,-2.4 1,-0.2 3,-0.9 0.904 112.3 52.1 -66.8 -38.6 -16.7 -2.9 21.6 354 144 B E H ><5S+ 0 0 98 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.913 101.8 61.2 -64.4 -38.8 -17.6 -3.8 18.0 355 145 B S H 3<5S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.702 107.8 44.4 -61.8 -19.8 -13.9 -4.2 17.1 356 146 B S T <<5S- 0 0 29 -3,-0.9 4,-0.4 -4,-0.7 3,-0.3 0.239 130.8 -90.3-108.2 12.4 -13.6 -7.0 19.7 357 147 B G T < 5 - 0 0 55 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.482 53.1 -89.7 97.8 3.2 -16.9 -8.7 18.7 358 148 B G S S- 0 0 1 3,-0.3 3,-0.6 -58,-0.1 -1,-0.3 -0.952 117.3 -29.1-153.7 127.4 -11.0 -8.3 24.9 363 153 B G T 3 S- 0 0 35 -2,-0.3 -3,-0.1 1,-0.2 4,-0.1 -0.213 94.4 -52.3 68.3-148.8 -10.8 -12.1 24.3 364 154 B N T 3 S+ 0 0 127 2,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.254 109.2 50.7-117.0 8.9 -13.5 -14.6 25.3 365 155 B R S < S- 0 0 76 -3,-0.6 -3,-0.3 1,-0.0 5,-0.1 -0.944 91.9 -65.5-147.0 168.4 -13.9 -13.9 29.0 366 156 B I + 0 0 13 39,-0.4 2,-0.3 -2,-0.3 -2,-0.1 -0.193 51.8 170.8 -56.1 133.7 -14.5 -11.3 31.6 367 157 B T > - 0 0 3 -72,-0.1 4,-2.4 -4,-0.1 3,-0.2 -0.889 52.3 -97.8-133.8 169.0 -11.8 -8.7 32.1 368 158 B L H > S+ 0 0 0 -74,-2.8 4,-2.9 -2,-0.3 5,-0.3 0.876 125.6 61.1 -54.6 -34.6 -11.4 -5.4 34.1 369 159 B G H > S+ 0 0 0 -75,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.940 105.0 44.9 -56.7 -49.7 -12.2 -3.8 30.7 370 160 B D H > S+ 0 0 0 -3,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.920 114.5 49.6 -59.8 -45.3 -15.7 -5.6 30.7 371 161 B L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.924 111.8 45.8 -65.4 -43.1 -16.3 -4.7 34.3 372 162 B F H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.890 113.1 50.5 -71.6 -30.9 -15.4 -1.0 34.0 373 163 B L H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.3 5,-0.2 0.961 111.1 50.7 -64.8 -44.9 -17.5 -0.7 30.8 374 164 B F H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.927 112.2 44.5 -57.1 -53.2 -20.4 -2.4 32.7 375 165 B T H X S+ 0 0 3 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.909 114.3 49.4 -62.5 -41.5 -20.2 -0.0 35.7 376 166 B T H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.946 109.4 51.5 -65.3 -45.4 -19.9 3.1 33.5 377 167 B L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.896 104.5 57.5 -60.7 -39.6 -22.8 2.1 31.3 378 168 B T H X S+ 0 0 9 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.940 106.1 50.8 -53.9 -44.9 -25.0 1.6 34.5 379 169 B H H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.893 109.9 48.8 -60.2 -39.9 -24.2 5.3 35.3 380 170 B V H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.947 111.5 49.8 -64.3 -45.8 -25.2 6.4 31.9 381 171 B M H < S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.836 116.4 42.5 -60.8 -36.9 -28.5 4.4 32.1 382 172 B E H < S+ 0 0 92 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.835 120.0 40.3 -80.5 -33.0 -29.3 5.9 35.5 383 173 B T H < S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.817 128.8 27.3 -89.2 -30.3 -28.3 9.5 34.7 384 174 B V S >X S- 0 0 6 -4,-3.1 3,-1.6 -5,-0.2 4,-0.6 -0.634 86.6-155.6-128.3 72.0 -29.7 9.8 31.2 385 175 B P T 34 S+ 0 0 105 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.171 73.8 10.3 -59.6 137.3 -32.6 7.3 31.1 386 176 B G T 3> S+ 0 0 17 -5,-0.2 4,-3.2 1,-0.1 5,-0.3 -0.051 100.7 98.1 94.0 -29.9 -33.5 6.0 27.6 387 177 B F H <> S+ 0 0 14 -3,-1.6 4,-2.7 2,-0.2 5,-0.5 0.926 88.4 37.7 -65.4 -49.5 -30.5 7.4 25.8 388 178 B L H X S+ 0 0 0 -4,-0.6 4,-2.3 2,-0.2 8,-0.4 0.944 118.6 51.8 -61.7 -44.9 -28.3 4.3 25.8 389 179 B E H 4 S+ 0 0 59 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.907 120.1 32.8 -60.2 -44.4 -31.4 2.1 25.2 390 180 B Q H < S+ 0 0 155 -4,-3.2 -1,-0.2 1,-0.1 -2,-0.2 0.826 130.9 28.8 -86.4 -32.8 -32.6 4.2 22.2 391 181 B K H < S+ 0 0 138 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.668 129.4 30.3-107.6 -19.6 -29.3 5.4 20.6 392 182 B F >X + 0 0 33 -4,-2.3 4,-2.0 -5,-0.5 3,-1.1 -0.460 63.6 162.3-138.5 60.6 -26.7 2.7 21.5 393 183 B P H 3> S+ 0 0 77 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.828 73.2 58.6 -57.2 -35.2 -28.7 -0.6 21.7 394 184 B K H 3> S+ 0 0 129 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.833 107.7 46.9 -65.6 -30.4 -25.6 -2.8 21.3 395 185 B L H <> S+ 0 0 1 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.874 111.3 51.2 -75.3 -39.6 -24.1 -1.3 24.4 396 186 B H H X S+ 0 0 50 -4,-2.0 4,-2.0 -8,-0.4 -2,-0.2 0.934 109.6 51.2 -58.9 -44.5 -27.4 -1.7 26.2 397 187 B E H X S+ 0 0 88 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.889 107.8 52.0 -57.7 -41.7 -27.3 -5.3 25.1 398 188 B F H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.927 107.4 52.0 -60.1 -44.4 -23.7 -5.6 26.5 399 189 B H H < S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 113.4 46.7 -62.0 -34.8 -25.0 -4.2 29.8 400 190 B K H < S+ 0 0 119 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.932 119.5 35.5 -69.0 -47.2 -27.7 -6.9 29.7 401 191 B S H >< S+ 0 0 32 -4,-2.6 3,-1.5 1,-0.2 4,-0.4 0.752 96.1 79.1 -86.2 -31.0 -25.5 -9.9 28.8 402 192 B L G >< S+ 0 0 0 -4,-2.7 3,-2.4 1,-0.3 4,-0.3 0.854 82.1 63.1 -54.1 -46.0 -22.2 -9.4 30.6 403 193 B P G > S+ 0 0 15 0, 0.0 3,-1.2 0, 0.0 7,-0.7 0.756 95.4 62.9 -54.7 -23.9 -23.2 -10.5 34.1 404 194 B T G < S+ 0 0 111 -3,-1.5 -2,-0.2 1,-0.2 3,-0.1 0.707 87.6 71.5 -71.8 -19.7 -23.8 -14.1 32.8 405 195 B S G < S+ 0 0 51 -3,-2.4 -39,-0.4 -4,-0.4 2,-0.4 0.544 103.8 43.6 -72.6 -8.6 -20.1 -14.3 31.8 406 196 B b S X> S- 0 0 11 -3,-1.2 3,-0.9 -4,-0.3 4,-0.9 -0.944 75.4-152.3-140.6 117.4 -19.4 -14.5 35.6 407 197 B S H 3> S+ 0 0 111 -2,-0.4 4,-0.9 1,-0.3 3,-0.4 0.912 94.6 47.6 -59.8 -49.2 -21.5 -16.8 37.7 408 198 B R H 3> S+ 0 0 134 1,-0.2 4,-2.4 -172,-0.2 -1,-0.3 0.687 101.3 71.3 -64.6 -18.8 -21.1 -14.9 41.1 409 199 B L H <> S+ 0 0 0 -3,-0.9 4,-2.8 -6,-0.3 5,-0.2 0.947 94.8 45.7 -68.5 -51.0 -21.8 -11.6 39.4 410 200 B S H X S+ 0 0 50 -4,-0.9 4,-2.2 -7,-0.7 5,-0.2 0.932 114.7 51.0 -61.3 -44.3 -25.6 -11.9 38.6 411 201 B E H X S+ 0 0 121 -4,-0.9 4,-1.7 1,-0.2 3,-0.3 0.965 112.2 46.0 -49.9 -59.6 -26.1 -13.2 42.1 412 202 B Y H X S+ 0 0 53 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.883 111.8 51.2 -52.6 -46.9 -24.2 -10.3 43.7 413 203 B L H < S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.841 107.5 52.5 -66.2 -36.2 -26.0 -7.6 41.5 414 204 B K H < S+ 0 0 170 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.862 115.2 40.3 -68.6 -35.5 -29.4 -8.9 42.4 415 205 B K H < S+ 0 0 141 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.642 88.0 113.1 -88.9 -16.2 -28.8 -8.7 46.2 416 206 B R S < S- 0 0 70 -4,-1.4 2,-0.1 -5,-0.2 3,-0.1 -0.326 72.9-114.9 -60.1 134.4 -26.8 -5.4 46.2 417 207 B A - 0 0 77 1,-0.1 2,-0.1 -2,-0.0 -1,-0.1 -0.431 37.1-101.0 -70.5 145.4 -28.6 -2.6 48.0 418 208 B K - 0 0 206 -2,-0.1 -1,-0.1 2,-0.0 3,-0.0 -0.409 41.7-170.8 -68.0 139.8 -29.6 0.4 45.7 419 209 B T - 0 0 27 -2,-0.1 -196,-0.1 -3,-0.1 -3,-0.0 -0.942 33.0-122.7-131.0 154.4 -27.3 3.5 45.8 420 210 B P 0 0 89 0, 0.0 -197,-0.1 0, 0.0 -1,-0.1 0.764 360.0 360.0 -66.0 -25.8 -27.7 7.0 44.3 421 211 B F 0 0 6 -3,-0.0 -196,-3.4 -98,-0.0 -198,-0.1 0.130 360.0 360.0-165.3 360.0 -24.3 6.6 42.4