==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-FEB-09 2WB9 . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE SIGMA CLASS; . SOURCE 2 ORGANISM_SCIENTIFIC: FASCIOLA HEPATICA; . AUTHOR K.LINE,M.N.ISUPOV,J.LACOURSE,P.M.BROPHY,J.A.LITTLECHILD . 421 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 76.0 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 . 24 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 47.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 3 2 0 0 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 0 188 0, 0.0 60,-0.1 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 103.4 12.1 -0.6 8.4 2 3 A K + 0 0 132 58,-0.3 59,-0.1 57,-0.1 56,-0.1 0.517 360.0 131.6 -75.7 -7.7 8.7 0.1 6.9 3 4 A Q + 0 0 84 57,-0.1 2,-0.3 54,-0.1 56,-0.2 -0.062 27.4 155.4 -43.8 133.1 8.2 1.2 10.6 4 5 A H E -A 58 0A 83 54,-1.7 54,-3.3 2,-0.0 2,-0.4 -0.941 26.4-158.7-164.4 143.7 6.6 4.6 11.1 5 6 A F E -A 57 0A 25 -2,-0.3 26,-2.8 24,-0.3 2,-0.4 -0.989 9.4-176.7-122.1 132.5 4.5 6.4 13.9 6 7 A K E -Ab 56 31A 43 50,-2.4 50,-2.9 -2,-0.4 2,-0.5 -0.968 8.9-159.2-128.5 124.8 2.3 9.3 13.1 7 8 A L E -Ab 55 32A 0 24,-2.8 26,-2.3 -2,-0.4 2,-0.5 -0.870 6.5-154.9-104.2 133.2 0.6 11.2 16.0 8 9 A W E +Ab 54 33A 28 46,-3.1 46,-1.1 -2,-0.5 2,-0.3 -0.919 33.1 122.0-103.9 124.2 -2.5 13.3 15.2 9 10 A Y E - b 0 34A 4 24,-2.2 26,-2.5 -2,-0.5 2,-0.1 -0.955 56.9 -84.3-164.7 168.6 -3.6 16.2 17.5 10 11 A F E - b 0 35A 34 -2,-0.3 2,-2.0 24,-0.2 26,-0.2 -0.211 62.6 -82.7 -61.3 177.1 -4.4 19.9 17.7 11 12 A Q S S+ 0 0 103 24,-0.7 2,-0.3 23,-0.1 -1,-0.1 -0.560 101.7 95.0 -83.5 77.8 -1.6 22.4 18.2 12 13 A F S S- 0 0 25 -2,-2.0 4,-0.1 1,-0.2 195,-0.0 -0.977 73.4-135.9-167.7 153.0 -1.7 21.8 21.9 13 14 A R >> + 0 0 12 -2,-0.3 3,-1.6 3,-0.1 4,-1.4 0.931 67.7 112.9 -84.5 -74.3 -0.1 19.7 24.6 14 15 A G G >4 S- 0 0 2 196,-3.1 3,-0.7 1,-0.3 154,-0.1 0.005 94.1 -10.7 49.6-136.1 -3.3 18.5 26.4 15 16 A R G 34 S+ 0 0 38 408,-2.4 4,-0.4 1,-0.2 -1,-0.3 0.677 134.4 59.7 -71.8 -22.3 -4.0 14.7 26.1 16 17 A A G X> S+ 0 0 0 -3,-1.6 4,-1.9 407,-0.3 3,-0.8 0.744 84.0 80.3 -77.9 -29.5 -1.3 14.1 23.4 17 18 A E H S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.916 109.1 49.6 -60.1 -33.0 2.4 12.1 27.5 19 20 A I H <> S+ 0 0 0 -3,-0.8 4,-2.8 -4,-0.4 5,-0.3 0.940 110.7 49.7 -68.6 -42.9 2.6 10.2 24.2 20 21 A R H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.917 113.3 46.7 -59.1 -43.8 5.1 12.7 22.7 21 22 A L H X S+ 0 0 0 -4,-3.2 4,-3.1 2,-0.2 5,-0.2 0.924 111.1 50.9 -68.7 -35.3 7.2 12.5 25.9 22 23 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 6,-0.2 0.970 112.7 45.2 -65.8 -46.1 7.1 8.7 25.9 23 24 A L H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.5 0.925 114.2 51.2 -63.7 -38.4 8.2 8.4 22.3 24 25 A T H ><5S+ 0 0 20 -4,-2.3 3,-1.1 -5,-0.3 -1,-0.2 0.939 111.6 45.4 -60.9 -52.0 10.9 11.0 22.9 25 26 A a H 3<5S+ 0 0 19 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.844 111.5 53.0 -63.3 -34.0 12.3 9.2 25.9 26 27 A A T 3<5S- 0 0 39 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.527 112.7-120.8 -76.7 -8.2 12.2 5.9 24.1 27 28 A G T < 5 + 0 0 24 -3,-1.1 2,-0.6 -4,-0.5 -3,-0.2 0.747 61.0 150.0 74.1 24.0 14.2 7.4 21.3 28 29 A V < - 0 0 33 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.789 41.7-138.5 -96.6 119.6 11.4 6.6 18.7 29 30 A K + 0 0 162 -2,-0.6 2,-0.3 -3,-0.1 -24,-0.3 -0.545 31.9 171.2 -76.2 143.0 11.2 9.1 15.9 30 31 A F - 0 0 45 -2,-0.2 2,-0.7 -26,-0.1 -24,-0.2 -0.987 41.1-108.6-150.8 158.4 7.7 10.0 14.9 31 32 A E E -b 6 0A 79 -26,-2.8 -24,-2.8 -2,-0.3 2,-1.1 -0.805 30.5-155.3 -88.4 115.1 5.8 12.4 12.7 32 33 A D E -b 7 0A 55 -2,-0.7 2,-0.9 -26,-0.2 -24,-0.1 -0.746 12.6-169.4 -96.6 88.7 4.2 14.9 15.2 33 34 A Y E +b 8 0A 61 -26,-2.3 -24,-2.2 -2,-1.1 2,-0.7 -0.664 9.5 175.6 -89.4 105.8 1.2 16.1 13.1 34 35 A Q E -b 9 0A 48 -2,-0.9 -24,-0.2 -26,-0.2 2,-0.2 -0.929 12.6-165.1-110.7 108.9 -0.4 19.1 14.9 35 36 A F E -b 10 0A 1 -26,-2.5 -24,-0.7 -2,-0.7 2,-0.1 -0.574 18.3-109.1 -95.7 161.9 -3.2 20.6 12.8 36 37 A T >> - 0 0 47 -2,-0.2 4,-1.3 -26,-0.2 3,-0.6 -0.396 27.7-111.0 -84.6 164.2 -4.9 23.9 13.1 37 38 A M T 34 S+ 0 0 133 1,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.836 118.7 56.8 -57.2 -34.8 -8.5 24.5 14.3 38 39 A D T 34 S+ 0 0 149 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.825 107.5 47.7 -71.8 -28.2 -9.5 25.6 10.7 39 40 A Q T X> S+ 0 0 76 -3,-0.6 3,-1.4 1,-0.2 4,-0.8 0.755 92.7 82.0 -79.9 -26.2 -8.3 22.2 9.3 40 41 A W H >X S+ 0 0 34 -4,-1.3 4,-3.5 1,-0.3 3,-1.4 0.869 80.6 59.5 -55.0 -44.0 -10.1 20.1 11.9 41 42 A P H 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.787 110.4 43.4 -63.7 -21.9 -13.6 20.0 10.3 42 43 A T H <4 S+ 0 0 115 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.552 118.4 44.4 -95.0 -6.4 -12.2 18.4 7.1 43 44 A I H X< S+ 0 0 15 -3,-1.4 3,-2.4 -4,-0.8 4,-0.4 0.829 100.9 69.4 -92.9 -48.1 -9.9 15.9 9.1 44 45 A K G >< S+ 0 0 75 -4,-3.5 3,-1.5 1,-0.3 6,-0.2 0.825 92.2 54.8 -38.1 -48.6 -12.5 14.9 11.7 45 46 A P G 3 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.586 106.5 55.2 -76.2 -0.4 -14.9 12.9 9.4 46 47 A T G < S+ 0 0 89 -3,-2.4 -2,-0.2 2,-0.1 -3,-0.1 0.457 92.2 83.1 -99.9 -11.6 -12.0 10.7 8.3 47 48 A L S X S- 0 0 9 -3,-1.5 3,-2.2 -4,-0.4 2,-0.1 -0.843 89.5-100.8 -99.5 146.2 -10.8 9.5 11.7 48 49 A P G > S+ 0 0 45 0, 0.0 3,-0.7 0, 0.0 -2,-0.1 -0.346 109.8 5.6 -61.1 124.8 -12.2 6.6 13.7 49 50 A G G 3 S- 0 0 7 1,-0.2 299,-0.1 -4,-0.1 3,-0.1 0.313 106.9-102.4 85.8 -9.3 -14.5 8.1 16.4 50 51 A G G < S+ 0 0 10 -3,-2.2 2,-0.3 -6,-0.2 -1,-0.2 0.755 91.9 98.3 65.0 29.3 -14.1 11.6 15.0 51 52 A R < - 0 0 96 -3,-0.7 -1,-0.2 -7,-0.1 18,-0.0 -0.948 59.2-101.7-148.6 156.1 -11.6 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 -0.854 74.6 66.9-126.9 164.9 -7.9 12.8 18.7 53 54 A P + 0 0 10 0, 0.0 16,-0.6 0, 0.0 2,-0.3 0.437 62.8 168.4 -68.4 156.7 -5.2 12.0 19.7 54 55 A L E -AC 8 68A 0 -46,-1.1 -46,-3.1 -2,-0.2 2,-0.5 -0.985 21.1-156.0-137.2 137.4 -4.8 9.1 17.3 55 56 A L E -AC 7 67A 2 12,-2.5 12,-3.2 -2,-0.3 2,-0.6 -0.982 4.1-159.2-118.0 121.4 -1.5 7.2 16.8 56 57 A D E -AC 6 66A 11 -50,-2.9 -50,-2.4 -2,-0.5 2,-0.5 -0.920 9.7-167.3 -99.4 122.2 -1.0 5.5 13.4 57 58 A V E -AC 5 65A 21 8,-2.8 8,-2.4 -2,-0.6 2,-0.6 -0.953 9.8-162.8-113.7 120.4 1.6 2.8 13.7 58 59 A T E -AC 4 64A 32 -54,-3.3 -54,-1.7 -2,-0.5 6,-0.2 -0.877 25.0-151.5 -99.6 113.1 3.0 1.2 10.4 59 60 A G > - 0 0 6 4,-2.9 3,-2.2 -2,-0.6 -57,-0.1 -0.167 32.2 -86.5 -83.2-173.0 4.6 -1.9 11.6 60 61 A P T 3 S+ 0 0 92 0, 0.0 -58,-0.3 0, 0.0 -1,-0.1 0.860 126.5 61.4 -63.7 -24.3 7.5 -3.9 10.2 61 62 A D T 3 S- 0 0 76 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.496 117.8-112.3 -77.8 -0.5 5.1 -5.8 7.9 62 63 A G S < S+ 0 0 33 -3,-2.2 2,-0.3 1,-0.3 -1,-0.1 0.566 74.9 136.3 84.3 4.6 4.2 -2.4 6.3 63 64 A K - 0 0 134 1,-0.0 -4,-2.9 -5,-0.0 2,-0.4 -0.723 48.9-133.2 -98.8 149.8 0.7 -2.7 7.8 64 65 A L E -C 58 0A 96 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.757 19.8-178.0-106.3 131.0 -1.1 0.3 9.5 65 66 A R E -C 57 0A 114 -8,-2.4 -8,-2.8 -2,-0.4 2,-0.5 -0.991 14.9-150.0-124.3 135.4 -2.9 0.1 12.8 66 67 A R E -C 56 0A 85 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.925 12.0-160.6-113.0 124.4 -4.7 3.2 14.1 67 68 A Y E -C 55 0A 50 -12,-3.2 -12,-2.5 -2,-0.5 2,-0.2 -0.877 5.0-165.7-114.1 134.6 -4.9 3.5 17.9 68 69 A Q E +C 54 0A 15 -2,-0.4 5,-0.2 -14,-0.2 -14,-0.2 -0.669 50.5 55.4-107.6 167.0 -7.4 5.8 19.9 69 70 A E S >> S- 0 0 25 -16,-0.6 4,-2.7 -2,-0.2 3,-1.4 0.907 71.9-126.2 75.2 102.6 -7.6 7.0 23.6 70 71 A S H 3> S+ 0 0 4 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.826 105.0 39.5 -52.4 -48.2 -4.5 8.9 24.7 71 72 A M H 3> S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.608 113.5 55.5 -88.1 -7.4 -3.6 7.1 27.9 72 73 A A H <> S+ 0 0 1 -3,-1.4 4,-2.7 2,-0.2 5,-0.2 0.889 112.5 45.1 -72.8 -50.0 -4.5 3.5 26.3 73 74 A I H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.971 114.9 48.2 -53.0 -50.0 -2.0 4.5 23.5 74 75 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.916 112.5 47.2 -63.4 -42.3 0.5 5.7 26.2 75 76 A R H X S+ 0 0 11 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.888 111.6 50.3 -66.1 -37.6 0.2 2.5 28.3 76 77 A L H X S+ 0 0 14 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.951 116.4 42.1 -66.1 -45.0 0.5 0.1 25.3 77 78 A L H X S+ 0 0 12 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.944 113.3 53.7 -62.4 -48.1 3.7 2.0 24.2 78 79 A A H <>S+ 0 0 0 -4,-3.0 5,-2.9 -5,-0.3 6,-0.4 0.927 108.1 48.7 -57.4 -42.7 4.9 2.2 27.7 79 80 A R H ><5S+ 0 0 59 -4,-2.8 3,-1.7 4,-0.2 -1,-0.2 0.961 111.0 51.1 -61.6 -44.2 4.6 -1.5 28.2 80 81 A Q H 3<5S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.823 113.5 45.5 -59.2 -34.1 6.4 -2.1 24.9 81 82 A F T 3<5S- 0 0 49 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.198 115.7-115.0 -97.3 11.2 9.2 0.2 26.1 82 83 A K T < 5S+ 0 0 150 -3,-1.7 -3,-0.2 -5,-0.2 3,-0.2 0.872 83.3 121.2 56.6 41.8 9.4 -1.4 29.6 83 84 A M < + 0 0 8 -5,-2.9 74,-2.9 -6,-0.2 75,-0.4 0.006 50.2 79.5-119.4 27.1 8.2 1.9 31.2 84 85 A M S S- 0 0 11 -6,-0.4 11,-0.1 1,-0.4 10,-0.1 0.067 110.8 -78.6-121.6 12.1 5.0 0.4 32.8 85 86 A G - 0 0 26 -3,-0.2 -1,-0.4 -7,-0.1 -2,-0.1 0.088 25.3-124.8 104.2 148.4 6.8 -1.1 35.8 86 87 A E S S+ 0 0 138 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.415 92.6 34.9-105.5 -4.9 8.9 -4.3 36.3 87 88 A T S > S- 0 0 72 1,-0.0 4,-2.2 0, 0.0 5,-0.2 -0.920 88.5-107.9-136.9 164.6 6.9 -5.8 39.2 88 89 A D H > S+ 0 0 60 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.823 121.6 56.3 -59.2 -39.2 3.2 -5.7 40.1 89 90 A E H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 107.9 46.0 -56.7 -47.1 4.1 -3.3 42.9 90 91 A E H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.893 110.7 53.8 -62.4 -41.2 5.7 -0.9 40.4 91 92 A Y H X S+ 0 0 14 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.945 109.1 48.5 -59.2 -45.1 2.7 -1.2 38.1 92 93 A Y H X S+ 0 0 3 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.941 109.4 52.3 -64.8 -44.0 0.4 -0.3 41.0 93 94 A L H X S+ 0 0 19 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.897 111.5 47.2 -57.5 -40.6 2.5 2.8 41.9 94 95 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.928 114.1 47.0 -64.3 -52.3 2.4 4.0 38.3 95 96 A E H X S+ 0 0 2 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.849 108.5 55.0 -57.0 -39.1 -1.3 3.4 38.1 96 97 A R H X S+ 0 0 22 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.958 111.9 43.8 -60.9 -47.9 -1.9 5.2 41.5 97 98 A I H X S+ 0 0 1 -4,-2.1 4,-3.1 -5,-0.2 5,-0.2 0.932 111.9 52.3 -67.7 -31.7 -0.1 8.3 40.3 98 99 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.949 110.2 48.8 -70.9 -40.0 -1.8 8.3 37.0 99 100 A G H X S+ 0 0 14 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.920 114.9 44.8 -58.1 -45.2 -5.3 8.1 38.6 100 101 A E H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.912 113.7 49.3 -68.3 -44.4 -4.5 10.9 41.0 101 102 A C H X S+ 0 0 0 -4,-3.1 4,-3.3 -5,-0.2 5,-0.2 0.841 103.8 61.2 -66.3 -30.3 -3.0 13.0 38.1 102 103 A E H X S+ 0 0 41 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.937 107.3 46.1 -58.6 -41.5 -6.2 12.4 36.0 103 104 A D H X S+ 0 0 35 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.931 114.0 46.2 -62.0 -46.9 -8.1 14.1 38.7 104 105 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.906 108.9 56.1 -64.5 -42.8 -5.7 17.0 38.9 105 106 A Y H X S+ 0 0 11 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.924 106.1 51.7 -54.4 -48.0 -5.6 17.3 35.1 106 107 A R H X S+ 0 0 79 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.918 108.7 51.0 -58.0 -39.6 -9.4 17.8 35.0 107 108 A E H X S+ 0 0 46 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.937 114.2 41.8 -65.7 -46.5 -9.2 20.5 37.6 108 109 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.888 112.0 54.3 -73.9 -32.8 -6.6 22.5 35.8 109 110 A Y H X S+ 0 0 39 -4,-3.1 4,-2.2 -5,-0.3 -1,-0.2 0.915 105.6 54.2 -60.1 -37.4 -8.1 22.0 32.4 110 111 A T H < S+ 0 0 64 -4,-2.1 4,-0.3 -5,-0.3 -2,-0.2 0.910 109.5 47.9 -63.9 -39.4 -11.4 23.4 33.8 111 112 A I H >< S+ 0 0 4 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.956 109.7 52.1 -64.6 -47.5 -9.5 26.5 34.9 112 113 A F H 3< S+ 0 0 52 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.859 111.9 47.5 -53.3 -38.2 -7.8 26.8 31.5 113 114 A R T 3< S+ 0 0 151 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.389 88.8 106.5 -84.6 -1.0 -11.3 26.7 29.9 114 115 A T S < S- 0 0 21 -3,-1.9 5,-0.2 -4,-0.3 -3,-0.0 -0.702 83.5 -99.4 -86.2 133.8 -12.9 29.2 32.2 115 116 A P >> - 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0 0 22 -4,-0.9 4,-2.6 1,-0.2 -1,-0.2 -0.685 64.9-163.9 -89.9 118.2 -20.4 -15.1 35.2 407 197 B S H > S+ 0 0 88 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.898 91.5 55.9 -68.1 -37.2 -22.7 -16.8 37.7 408 198 B R H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 110.6 46.8 -56.8 -38.0 -21.0 -15.2 40.7 409 199 B L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 109.7 51.1 -74.7 -45.3 -21.7 -11.8 39.2 410 200 B S H X S+ 0 0 27 -4,-2.6 4,-1.9 -7,-0.6 -1,-0.2 0.939 112.8 46.8 -54.5 -47.0 -25.3 -12.5 38.3 411 201 B E H X S+ 0 0 95 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.940 112.0 49.6 -63.9 -48.2 -26.0 -13.7 41.9 412 202 B Y H X S+ 0 0 52 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.941 110.5 51.1 -53.1 -50.0 -24.2 -10.7 43.5 413 203 B L H < S+ 0 0 24 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.872 108.1 52.4 -60.1 -36.8 -26.1 -8.3 41.3 414 204 B K H < S+ 0 0 127 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.923 115.6 39.1 -66.3 -40.2 -29.5 -9.9 42.3 415 205 B K H < S+ 0 0 148 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.609 89.4 112.8 -87.7 -12.3 -28.9 -9.6 46.0 416 206 B R S < S- 0 0 68 -4,-1.5 2,-0.1 -5,-0.2 3,-0.1 -0.336 71.8-113.5 -70.8 136.6 -27.2 -6.2 46.1 417 207 B A - 0 0 76 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.412 35.2-107.9 -63.7 142.5 -29.0 -3.3 47.8 418 208 B K - 0 0 192 -2,-0.1 -1,-0.1 2,-0.0 3,-0.0 -0.403 39.7-172.8 -69.6 141.7 -30.1 -0.5 45.4 419 209 B T - 0 0 19 -2,-0.1 -196,-0.1 -3,-0.1 -3,-0.0 -0.957 34.5-116.8-135.2 157.3 -28.0 2.8 45.8 420 210 B P 0 0 83 0, 0.0 -197,-0.1 0, 0.0 -1,-0.0 0.730 360.0 360.0 -65.2 -29.4 -28.6 6.2 44.2 421 211 B F 0 0 4 -38,-0.0 -196,-3.2 -39,-0.0 -198,-0.1 0.111 360.0 360.0-160.9 360.0 -25.2 6.0 42.2 422 !* 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 0.0 423 301 A C 0 0 70 0, 0.0 -408,-2.4 0, 0.0 -407,-0.3 0.000 360.0 360.0 360.0 360.0 -8.5 18.3 25.4