==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-NOV-11 3VK9 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE DELTA; . SOURCE 2 ORGANISM_SCIENTIFIC: BOMBYX MORI; . AUTHOR Y.KAKUTA,K.USUDA,A.HIGASHIURA,M.SUZUKI,A.NAKAGAWA,M.KIMURA,K . 857 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 638 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 4.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 43 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 397 46.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 3.2 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 4 0 0 0 0 1 7 8 6 2 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 7 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 209 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.2 22.7 75.9 27.8 2 2 A T - 0 0 84 26,-0.0 2,-0.4 1,-0.0 58,-0.4 -0.492 360.0-137.8 -94.0 156.9 22.8 72.6 25.9 3 3 A I - 0 0 6 24,-0.4 26,-3.1 -2,-0.2 2,-0.3 -0.924 15.6-141.9-116.8 130.3 20.2 69.9 25.5 4 4 A D E -aB 29 58A 38 54,-2.5 54,-3.2 -2,-0.4 2,-0.5 -0.713 9.8-166.3 -95.9 140.4 20.9 66.2 25.6 5 5 A L E -aB 30 57A 0 24,-2.6 26,-3.2 -2,-0.3 2,-0.5 -0.953 6.8-158.6-123.5 111.2 19.4 63.4 23.6 6 6 A Y E +aB 31 56A 24 50,-3.2 50,-2.2 -2,-0.5 2,-0.3 -0.792 38.8 133.3 -82.0 127.0 19.9 59.8 24.6 7 7 A Y E -a 32 0A 38 24,-1.6 26,-2.6 -2,-0.5 28,-0.1 -0.937 51.4-132.2-157.7 169.9 19.3 57.6 21.6 8 8 A V > - 0 0 26 -2,-0.3 3,-0.8 24,-0.2 6,-0.2 -0.967 28.8-130.0-130.2 146.2 20.3 54.7 19.4 9 9 A P T 3 S+ 0 0 36 0, 0.0 197,-0.1 0, 0.0 6,-0.1 0.764 101.4 59.5 -67.8 -26.7 20.2 55.3 15.6 10 10 A G T 3 S+ 0 0 10 195,-0.1 2,-0.4 196,-0.1 196,-0.1 0.722 82.1 100.4 -73.6 -21.2 18.2 52.1 14.7 11 11 A S <> - 0 0 22 -3,-0.8 4,-2.4 1,-0.1 3,-0.2 -0.515 65.2-148.2 -78.2 121.9 15.3 53.1 16.9 12 12 A A H > S+ 0 0 1 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.911 98.9 50.8 -55.9 -47.9 12.3 54.6 15.0 13 13 A P H > S+ 0 0 26 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.892 110.7 51.0 -61.8 -31.7 11.2 56.8 17.8 14 14 A C H > S+ 0 0 0 -3,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 108.1 51.6 -65.2 -43.6 14.8 58.1 18.0 15 15 A R H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.795 101.9 61.3 -62.8 -31.3 14.8 58.8 14.3 16 16 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.933 109.0 42.8 -58.9 -43.5 11.6 60.8 14.7 17 17 A V H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.896 110.9 53.4 -71.6 -41.2 13.5 63.1 17.0 18 18 A L H X S+ 0 0 24 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.943 111.1 48.8 -58.8 -43.6 16.6 63.3 14.8 19 19 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 179,-0.3 -2,-0.2 0.911 110.9 48.7 -58.0 -46.0 14.3 64.2 11.9 20 20 A T H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.894 110.3 52.0 -65.8 -38.6 12.6 66.9 13.9 21 21 A A H X>S+ 0 0 8 -4,-2.6 5,-2.6 2,-0.2 4,-0.5 0.901 110.8 47.6 -64.2 -42.0 15.9 68.3 15.0 22 22 A K H ><5S+ 0 0 61 -4,-2.1 3,-0.9 3,-0.2 -2,-0.2 0.927 109.8 53.0 -63.3 -44.9 17.1 68.5 11.4 23 23 A A H 3<5S+ 0 0 25 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 116.4 38.9 -61.5 -31.0 13.9 70.2 10.3 24 24 A L H 3<5S- 0 0 31 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.461 108.5-126.7 -92.0 -4.4 14.3 72.9 13.1 25 25 A N T <<5 + 0 0 143 -3,-0.9 -3,-0.2 -4,-0.5 2,-0.2 0.919 52.1 162.7 51.1 48.2 18.1 73.0 12.5 26 26 A L < - 0 0 38 -5,-2.6 2,-0.6 -6,-0.1 -1,-0.2 -0.576 40.1-135.2 -87.4 156.9 18.8 72.4 16.2 27 27 A N + 0 0 140 -2,-0.2 -24,-0.4 2,-0.0 2,-0.2 -0.790 29.2 179.8-113.7 89.1 22.0 71.3 17.7 28 28 A L - 0 0 13 -2,-0.6 2,-1.1 -26,-0.1 -24,-0.2 -0.602 34.9-117.9 -82.5 146.1 21.3 68.6 20.3 29 29 A N E -a 4 0A 75 -26,-3.1 -24,-2.6 -2,-0.2 2,-0.3 -0.744 35.6-146.8 -82.4 103.1 24.0 66.9 22.2 30 30 A L E -a 5 0A 76 -2,-1.1 2,-0.5 -26,-0.2 -24,-0.2 -0.576 16.0-171.2 -79.7 129.9 23.6 63.3 21.0 31 31 A K E -a 6 0A 76 -26,-3.2 -24,-1.6 -2,-0.3 2,-0.1 -0.897 15.5-143.0-125.5 102.7 24.4 60.7 23.6 32 32 A L E -a 7 0A 112 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.371 15.1-148.9 -63.2 130.1 24.6 57.1 22.2 33 33 A V - 0 0 2 -26,-2.6 2,-2.1 -2,-0.1 3,-0.3 -0.909 13.7-131.7-106.1 136.8 23.2 54.6 24.7 34 34 A D > > + 0 0 70 -2,-0.4 5,-2.5 1,-0.2 3,-0.9 -0.492 42.4 157.3 -79.4 70.5 24.5 51.0 24.8 35 35 A L G > 5 + 0 0 42 -2,-2.1 3,-2.5 1,-0.2 -1,-0.2 0.893 66.2 67.7 -61.1 -39.5 21.0 49.3 24.8 36 36 A H G 3 5S+ 0 0 35 1,-0.3 -1,-0.2 -3,-0.3 822,-0.2 0.759 110.6 33.9 -53.5 -30.7 22.6 46.1 23.4 37 37 A H G < 5S- 0 0 38 -3,-0.9 817,-0.3 820,-0.1 -1,-0.3 0.020 120.2-103.9-117.8 23.3 24.4 45.7 26.8 38 38 A G T X 5 + 0 0 3 -3,-2.5 3,-1.8 816,-0.1 4,-0.3 0.738 65.7 149.3 70.6 27.6 21.7 47.2 29.0 39 39 A E G > S- 0 0 104 -3,-1.4 4,-2.3 -4,-0.3 3,-0.9 -0.444 85.4-109.9 -79.6 154.9 21.6 51.0 35.3 43 43 A P H 3> S+ 0 0 105 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.847 114.8 59.1 -53.4 -43.2 20.6 53.4 38.1 44 44 A E H 3> S+ 0 0 152 1,-0.2 4,-0.8 2,-0.2 -4,-0.1 0.878 112.3 40.1 -57.0 -38.1 22.1 56.5 36.4 45 45 A Y H <> S+ 0 0 9 -3,-0.9 4,-2.9 -6,-0.3 3,-0.5 0.889 111.7 55.2 -77.0 -39.8 19.9 56.0 33.4 46 46 A L H < S+ 0 0 59 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.877 100.7 61.9 -58.6 -38.2 16.8 55.0 35.4 47 47 A K H < S+ 0 0 159 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.901 112.6 36.2 -49.0 -45.4 17.3 58.3 37.2 48 48 A L H < S+ 0 0 34 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.870 140.1 10.2 -77.8 -38.5 16.7 60.1 33.9 49 49 A N >< - 0 0 0 -4,-2.9 3,-2.2 -9,-0.1 -1,-0.3 -0.799 56.9-170.9-149.7 96.6 14.1 57.6 32.6 50 50 A P T 3 S+ 0 0 85 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.665 91.0 63.5 -64.4 -16.0 12.6 55.0 34.9 51 51 A Q T 3 S- 0 0 100 -5,-0.1 -5,-0.1 2,-0.1 -11,-0.0 0.475 99.9-141.8 -84.8 -1.7 11.0 53.4 31.8 52 52 A H < + 0 0 59 -3,-2.2 2,-0.2 1,-0.2 -12,-0.1 0.837 52.9 128.1 41.8 51.8 14.5 52.7 30.5 53 53 A T - 0 0 48 2,-0.1 -1,-0.2 -13,-0.0 -2,-0.1 -0.736 51.0 -84.7-120.6 170.8 13.7 53.5 26.9 54 54 A V S S+ 0 0 15 -2,-0.2 -40,-0.2 1,-0.1 -47,-0.2 -0.945 89.9 46.5-121.7 152.8 15.2 55.7 24.1 55 55 A P + 0 0 1 0, 0.0 2,-0.4 0, 0.0 -48,-0.2 0.552 62.5 174.9 -81.7 160.6 15.0 58.4 23.2 56 56 A T E -B 6 0A 0 -50,-2.2 -50,-3.2 -2,-0.1 2,-0.5 -0.974 14.6-157.8-127.3 121.1 15.4 60.4 26.3 57 57 A L E -BC 5 64A 0 7,-2.9 7,-2.2 -2,-0.4 2,-0.5 -0.808 6.6-165.7 -93.1 127.5 15.6 64.2 25.9 58 58 A V E +BC 4 63A 20 -54,-3.2 -54,-2.5 -2,-0.5 2,-0.6 -0.940 12.9 172.4-122.2 114.2 17.2 66.0 28.9 59 59 A D E > - C 0 62A 15 3,-3.3 3,-2.1 -2,-0.5 2,-0.3 -0.822 63.2 -73.9-123.8 87.2 16.7 69.7 29.1 60 60 A D T 3 S- 0 0 124 -2,-0.6 -1,-0.1 -58,-0.4 -56,-0.0 -0.447 121.7 -0.2 54.2-116.8 18.1 70.9 32.4 61 61 A G T 3 S+ 0 0 86 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.596 120.1 89.0 -74.6 -10.7 15.6 69.8 35.0 62 62 A L E < +C 59 0A 73 -3,-2.1 -3,-3.3 2,-0.0 2,-0.5 -0.794 48.0 177.9-100.7 122.3 13.3 68.2 32.4 63 63 A S E +C 58 0A 31 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.977 9.5 167.9-113.9 123.6 13.6 64.7 31.2 64 64 A I E +C 57 0A 35 -7,-2.2 -7,-2.9 -2,-0.5 -15,-0.0 -1.000 13.0 178.2-136.3 141.5 11.0 63.4 28.7 65 65 A W + 0 0 62 -2,-0.4 2,-0.8 -9,-0.2 3,-0.1 0.482 46.6 103.3-125.6 -4.3 11.1 60.2 26.7 66 66 A E >> - 0 0 84 1,-0.2 4,-2.2 -9,-0.1 3,-1.4 -0.760 62.4-146.3 -80.8 116.3 8.1 59.7 24.5 67 67 A S H 3> S+ 0 0 3 -2,-0.8 4,-2.5 1,-0.3 5,-0.2 0.875 97.7 55.6 -49.1 -41.5 9.4 60.6 21.1 68 68 A R H 3> S+ 0 0 29 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.740 109.5 44.6 -72.7 -23.5 6.0 62.1 20.2 69 69 A A H <> S+ 0 0 47 -3,-1.4 4,-2.0 2,-0.1 -1,-0.2 0.767 112.3 54.1 -79.7 -32.8 6.1 64.5 23.1 70 70 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.922 106.7 49.8 -66.7 -45.4 9.7 65.4 22.4 71 71 A I H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.889 114.1 43.8 -66.8 -37.4 9.1 66.4 18.8 72 72 A T H X S+ 0 0 19 -4,-0.7 4,-2.8 -5,-0.2 -1,-0.2 0.891 111.9 55.7 -73.5 -35.2 6.2 68.6 19.7 73 73 A Y H X S+ 0 0 56 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.900 103.6 54.2 -58.0 -43.7 8.2 70.0 22.6 74 74 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.4 0.888 113.5 42.0 -58.6 -42.3 11.1 71.0 20.3 75 75 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.934 114.2 50.5 -69.1 -47.6 8.7 73.0 18.1 76 76 A N H < S+ 0 0 73 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.858 119.1 39.8 -59.3 -37.9 6.8 74.5 21.0 77 77 A K H < S+ 0 0 89 -4,-2.6 3,-0.2 -5,-0.2 -2,-0.2 0.950 130.5 19.9 -74.3 -55.7 10.1 75.6 22.6 78 78 A Y H < S+ 0 0 100 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.683 133.3 25.6 -99.2 -22.7 12.2 76.8 19.7 79 79 A A >< - 0 0 32 -4,-2.3 3,-2.2 -5,-0.4 6,-0.2 -0.248 67.6-177.2-143.9 49.8 9.8 77.6 16.8 80 80 A K T 3 S+ 0 0 148 -4,-0.3 -4,-0.1 1,-0.3 -3,-0.0 -0.286 79.1 27.1 -50.3 124.9 6.4 78.5 18.1 81 81 A G T 3 S+ 0 0 44 4,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.474 86.6 149.5 96.1 2.6 4.2 79.0 15.1 82 82 A S X - 0 0 25 -3,-2.2 3,-2.0 3,-0.2 -1,-0.3 -0.432 56.9-126.8 -69.3 143.2 6.1 76.7 12.8 83 83 A S T 3 S+ 0 0 62 1,-0.3 70,-0.1 2,-0.1 -1,-0.1 0.697 107.5 74.3 -60.2 -18.8 4.3 74.9 10.0 84 84 A L T 3 S+ 0 0 16 1,-0.3 72,-2.5 71,-0.2 73,-0.3 0.720 120.1 8.7 -67.1 -21.3 5.9 71.8 11.4 85 85 A Y S < S- 0 0 13 -3,-2.0 -4,-0.4 70,-0.2 -1,-0.3 -0.433 90.6-153.6-156.2 71.9 3.4 72.0 14.3 86 86 A P - 0 0 28 0, 0.0 9,-0.1 0, 0.0 -3,-0.1 -0.166 11.9-140.5 -59.5 143.6 0.8 74.7 13.5 87 87 A E + 0 0 90 4,-0.1 5,-0.1 5,-0.1 -4,-0.0 0.696 69.1 110.5 -75.7 -24.8 -0.9 76.5 16.4 88 88 A D S > S- 0 0 92 1,-0.1 4,-3.4 2,-0.1 5,-0.3 -0.378 72.8-133.4 -53.1 125.4 -4.3 76.7 14.7 89 89 A P H > S+ 0 0 100 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.893 102.1 44.6 -52.1 -52.5 -6.4 74.2 16.8 90 90 A K H > S+ 0 0 178 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.947 117.4 46.1 -58.8 -47.5 -8.0 72.3 13.9 91 91 A A H > S+ 0 0 37 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.902 115.6 46.5 -61.5 -40.3 -4.7 72.2 12.1 92 92 A R H X S+ 0 0 48 -4,-3.4 4,-3.0 1,-0.2 5,-0.2 0.898 106.7 57.5 -69.9 -40.1 -2.9 71.1 15.3 93 93 A A H X S+ 0 0 55 -4,-3.0 4,-3.0 -5,-0.3 -1,-0.2 0.864 104.1 53.5 -58.3 -37.1 -5.6 68.5 16.1 94 94 A L H X S+ 0 0 55 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.911 110.2 46.4 -66.0 -41.3 -4.9 66.8 12.8 95 95 A V H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.964 114.2 47.7 -62.9 -52.6 -1.2 66.5 13.5 96 96 A D H X S+ 0 0 48 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.925 109.5 54.2 -52.8 -47.5 -1.9 65.2 17.0 97 97 A Q H X S+ 0 0 109 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.937 108.9 48.1 -52.7 -47.8 -4.4 62.7 15.6 98 98 A R H X S+ 0 0 24 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.859 108.6 54.8 -65.1 -34.6 -1.8 61.3 13.2 99 99 A L H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.921 110.0 45.7 -62.9 -43.3 0.7 61.1 16.1 100 100 A Y H X S+ 0 0 170 -4,-2.4 4,-2.5 2,-0.2 5,-0.4 0.862 110.6 53.8 -68.7 -34.3 -1.7 59.0 18.1 101 101 A F H X>S+ 0 0 17 -4,-2.4 5,-2.2 -5,-0.2 4,-1.7 0.917 108.7 51.9 -59.2 -45.4 -2.4 56.9 15.0 102 102 A D H <>S+ 0 0 0 -4,-2.3 5,-2.8 3,-0.2 6,-0.7 0.973 118.3 32.4 -56.9 -59.0 1.3 56.3 14.7 103 103 A I H <5S+ 0 0 55 -4,-2.3 5,-0.4 1,-0.2 -2,-0.2 0.935 127.6 36.8 -68.4 -45.7 2.0 55.1 18.3 104 104 A G H <5S+ 0 0 47 -4,-2.5 -3,-0.2 -5,-0.2 -1,-0.2 0.701 133.3 11.8 -85.0 -20.9 -1.3 53.3 19.0 105 105 A T T X5S+ 0 0 35 -4,-1.7 4,-2.5 -5,-0.4 5,-0.2 0.728 125.1 35.1-121.5 -67.9 -2.1 51.8 15.7 106 106 A L H > S+ 0 0 83 -6,-0.7 4,-2.8 -5,-0.4 -1,-0.2 0.938 110.7 45.1 -60.9 -46.0 2.0 49.2 17.6 109 109 A R H X S+ 0 0 61 -4,-2.5 4,-1.9 2,-0.2 23,-0.2 0.911 114.6 48.4 -66.4 -41.1 0.7 46.8 15.0 110 110 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.937 111.9 49.1 -62.5 -50.3 4.1 46.6 13.3 111 111 A S H X S+ 0 0 28 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.932 111.3 50.4 -50.4 -50.5 5.8 46.0 16.6 112 112 A D H < S+ 0 0 73 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.853 117.5 39.9 -60.0 -36.1 3.3 43.3 17.5 113 113 A Y H < S+ 0 0 5 -4,-1.9 4,-0.4 15,-0.2 12,-0.3 0.909 125.0 31.3 -77.8 -45.1 3.8 41.6 14.1 114 114 A F H >X S+ 0 0 7 -4,-3.0 4,-1.7 -5,-0.2 3,-0.5 0.862 106.1 58.9 -91.1 -43.9 7.6 42.0 13.7 115 115 A Y H 3X S+ 0 0 48 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.801 99.8 58.2 -72.1 -29.3 9.5 42.0 17.1 116 116 A P H 3> S+ 0 0 47 0, 0.0 6,-2.4 0, 0.0 4,-1.3 0.885 110.1 47.4 -58.7 -36.7 8.3 38.5 18.2 117 117 A Q H <4 S+ 0 0 34 -3,-0.5 4,-0.4 -4,-0.4 -2,-0.2 0.880 118.2 39.9 -71.0 -38.1 9.9 37.2 14.9 118 118 A V H < S+ 0 0 4 -4,-1.7 -3,-0.2 1,-0.1 -1,-0.1 0.898 129.7 24.4 -79.1 -42.8 13.1 39.1 15.5 119 119 A F H < S+ 0 0 66 -4,-2.8 647,-0.5 -5,-0.1 -2,-0.2 0.448 132.9 32.4-108.9 -2.3 13.7 38.7 19.2 120 120 A A S < S- 0 0 35 -4,-1.3 645,-0.2 -5,-0.3 -3,-0.1 0.104 97.8-120.2-137.6 21.5 11.7 35.5 20.0 121 121 A G + 0 0 56 -4,-0.4 -4,-0.3 643,-0.4 -3,-0.1 0.748 55.8 164.2 40.2 32.4 12.1 33.5 16.8 122 122 A A - 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