==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUN-93 3GST . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR X.JI,H.L.AMMON,R.N.ARMSTRONG,G.L.GILLILAND . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.1 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 . 4 0.9 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 . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 1 1 0 3 1 3 3 0 0 1 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 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 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 1 A P 0 0 111 0, 0.0 64,-0.4 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 170.6 -3.7 24.7 37.5 2 2 A M E -a 27 0A 15 24,-2.1 26,-2.6 62,-0.1 2,-0.5 -0.550 360.0-138.2 -79.2 147.6 -1.3 22.9 35.1 3 3 A I E -aB 28 63A 49 60,-2.4 60,-2.5 24,-0.2 2,-0.5 -0.986 15.4-168.1-112.7 123.3 2.1 22.2 36.7 4 4 A L E -aB 29 62A 0 24,-2.3 26,-2.5 -2,-0.5 2,-0.4 -0.945 9.9-168.6-103.5 121.7 5.3 22.7 34.6 5 5 A G E +aB 30 61A 0 56,-2.0 56,-1.8 -2,-0.5 2,-0.3 -0.928 24.7 123.8-112.4 141.6 8.5 21.3 36.3 6 6 A Y E -a 31 0A 20 24,-2.2 26,-2.1 -2,-0.4 -2,-0.0 -0.938 60.3 -66.0-171.9 171.3 12.1 22.0 35.1 7 7 A W E -a 32 0A 40 -2,-0.3 2,-1.2 24,-0.3 26,-0.2 -0.176 54.3-101.8 -60.7 163.1 15.4 23.3 36.3 8 8 A N S S+ 0 0 63 24,-1.9 2,-0.3 23,-0.2 -1,-0.1 -0.308 96.9 85.1 -88.5 51.4 15.8 27.0 37.3 9 9 A V S S- 0 0 12 -2,-1.2 198,-0.2 1,-0.1 4,-0.2 -0.934 87.2-115.2-142.9 163.8 17.4 27.7 33.9 10 10 A R >> + 0 0 0 196,-2.7 3,-2.0 -2,-0.3 4,-0.7 0.933 63.9 138.9 -67.4 -49.2 16.2 28.5 30.4 11 11 A G T 34 S- 0 0 11 196,-2.1 3,-0.2 195,-0.3 -1,-0.1 -0.069 84.6 -32.3 43.0-123.1 17.7 25.3 29.0 12 12 A L T 34 S+ 0 0 46 1,-0.1 -1,-0.3 -3,-0.1 4,-0.2 0.217 124.7 83.9-106.9 11.6 15.3 23.7 26.5 13 13 A T T X> + 0 0 0 -3,-2.0 4,-2.0 -4,-0.2 3,-0.8 0.493 55.9 94.4 -96.9 -2.0 12.1 24.9 28.3 14 14 A H H 3X S+ 0 0 0 -4,-0.7 4,-2.9 1,-0.3 5,-0.2 0.839 82.3 55.6 -54.1 -48.3 11.7 28.5 27.0 15 15 A P H 3> S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.819 109.5 47.4 -55.0 -40.4 9.3 27.5 24.2 16 16 A I H <> S+ 0 0 1 -3,-0.8 4,-3.1 2,-0.2 5,-0.2 0.930 112.0 48.2 -68.5 -49.0 6.9 25.9 26.7 17 17 A R H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.914 114.5 47.8 -54.1 -47.6 7.0 28.9 29.2 18 18 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.881 113.4 47.9 -60.0 -41.7 6.4 31.2 26.2 19 19 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.816 107.5 53.2 -69.2 -44.9 3.5 29.0 24.9 20 20 A L H <>S+ 0 0 0 -4,-3.1 5,-2.4 2,-0.2 -1,-0.2 0.884 115.1 44.3 -56.9 -41.0 1.8 28.7 28.3 21 21 A E H ><5S+ 0 0 23 -4,-1.8 3,-1.3 -5,-0.2 -2,-0.2 0.893 110.5 52.2 -69.1 -48.2 1.9 32.5 28.5 22 22 A Y H 3<5S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.828 112.0 46.0 -57.0 -35.6 0.8 33.1 24.9 23 23 A T T 3<5S- 0 0 22 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.247 110.4-121.4 -94.2 8.6 -2.3 30.9 25.3 24 24 A D T < 5 + 0 0 110 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.775 48.9 175.9 50.7 39.8 -3.2 32.4 28.6 25 25 A S < - 0 0 21 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.2 -0.399 34.7-122.5 -72.4 145.7 -2.9 29.1 30.4 26 26 A S + 0 0 93 -2,-0.1 -24,-2.1 -23,-0.0 2,-0.3 -0.856 53.8 149.6 -89.5 115.0 -3.3 28.8 34.2 27 27 A Y E -a 2 0A 38 -2,-0.7 2,-0.3 -26,-0.2 -24,-0.2 -0.989 37.4-153.9-152.0 150.9 -0.1 27.2 35.3 28 28 A E E -a 3 0A 95 -26,-2.6 -24,-2.3 -2,-0.3 2,-0.4 -0.929 22.1-138.1-117.5 154.0 2.3 27.0 38.2 29 29 A E E -a 4 0A 47 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.887 10.4-156.3-119.5 149.9 5.9 26.2 37.9 30 30 A K E -a 5 0A 76 -26,-2.5 -24,-2.2 -2,-0.4 2,-0.7 -0.989 15.4-169.9-118.8 104.8 8.3 24.1 39.8 31 31 A R E -a 6 0A 76 -2,-0.6 -24,-0.3 -26,-0.2 -23,-0.2 -0.898 10.8-154.7-102.6 96.9 11.8 25.3 39.2 32 32 A Y E -a 7 0A 0 -26,-2.1 -24,-1.9 -2,-0.7 2,-0.3 -0.491 7.7-138.5 -72.0 138.5 14.3 22.8 40.7 33 33 A A - 0 0 42 -26,-0.2 11,-0.4 -2,-0.2 2,-0.4 -0.742 5.2-145.1-101.1 151.8 17.7 24.0 41.7 34 34 A M - 0 0 19 -2,-0.3 8,-0.2 10,-0.1 7,-0.2 -0.883 23.5-118.5-108.7 138.1 21.0 22.2 41.1 35 35 A G - 0 0 23 6,-3.0 175,-0.2 -2,-0.4 2,-0.1 -0.127 36.3 -95.3 -65.0 173.0 23.8 22.4 43.7 36 36 A D >> - 0 0 107 1,-0.2 4,-2.2 4,-0.1 3,-0.6 -0.450 59.2 -42.4 -85.3 164.8 27.2 23.9 42.8 37 37 A A T 34 S+ 0 0 54 1,-0.3 -1,-0.2 2,-0.2 4,-0.0 -0.153 108.6 34.0 -56.6 157.9 30.4 22.2 41.7 38 38 A P T 34 S+ 0 0 121 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.971 134.2 22.5 -86.1 -14.8 32.0 19.8 42.3 39 39 A D T <4 S- 0 0 122 -3,-0.6 -2,-0.2 2,-0.0 3,-0.1 0.824 77.9-155.1 -79.4 -35.8 29.0 17.6 43.2 40 40 A Y < - 0 0 63 -4,-2.2 -3,-0.1 1,-0.2 -4,-0.1 0.956 24.2-138.3 55.6 59.3 26.3 19.5 41.4 41 41 A D + 0 0 79 -5,-0.5 -6,-3.0 -7,-0.2 3,-0.2 -0.165 29.7 179.8 -54.0 128.3 23.6 18.2 43.7 42 42 A R >> + 0 0 106 -8,-0.2 4,-2.1 -3,-0.1 3,-1.5 0.318 41.6 118.8-113.9 10.8 20.4 17.2 42.0 43 43 A S H 3> + 0 0 45 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.711 63.2 66.5 -50.7 -35.2 18.3 16.0 45.0 44 44 A Q H 34 S+ 0 0 83 -11,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.886 116.3 30.4 -55.8 -45.5 15.5 18.5 44.8 45 45 A W H X> S+ 0 0 4 -3,-1.5 3,-2.2 -12,-0.3 4,-1.4 0.906 119.3 52.0 -75.2 -55.0 14.5 16.7 41.5 46 46 A L H 3< S+ 0 0 78 -4,-2.1 4,-0.5 1,-0.3 -2,-0.2 0.822 98.8 67.3 -55.4 -33.0 15.7 13.2 42.3 47 47 A N T 3< S+ 0 0 120 -4,-3.4 -1,-0.3 1,-0.2 -2,-0.2 0.682 118.9 21.6 -60.7 -23.1 13.7 13.2 45.6 48 48 A E T X4 S+ 0 0 45 -3,-2.2 3,-2.2 -5,-0.2 4,-0.4 0.451 90.3 107.8-124.3 -0.0 10.5 13.3 43.5 49 49 A K T 3< S+ 0 0 47 -4,-1.4 3,-0.4 1,-0.3 5,-0.3 0.813 92.6 32.3 -42.9 -46.4 11.6 11.9 40.2 50 50 A F T 3 S+ 0 0 147 -4,-0.5 -1,-0.3 1,-0.2 3,-0.2 0.264 109.7 72.1-100.4 10.6 9.8 8.5 40.6 51 51 A K S < S+ 0 0 172 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.373 79.1 70.7-111.3 9.3 7.0 10.0 42.7 52 52 A L S S- 0 0 28 -3,-0.4 -1,-0.1 -4,-0.4 -2,-0.1 0.369 99.7-112.9-106.9 1.0 5.0 11.9 40.2 53 53 A G + 0 0 52 1,-0.2 2,-0.3 -3,-0.2 15,-0.1 0.727 58.9 157.9 72.7 23.8 3.3 9.2 38.1 54 54 A L - 0 0 17 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.648 42.3-141.2 -78.5 141.1 5.3 10.0 34.9 55 55 A D S S+ 0 0 75 -2,-0.3 303,-0.1 1,-0.3 -1,-0.1 0.901 100.3 14.1 -64.7 -48.8 5.5 7.1 32.4 56 56 A F S S- 0 0 2 2,-0.1 -1,-0.3 302,-0.0 15,-0.1 -0.833 96.7-134.9-127.6 87.4 9.2 8.0 31.5 57 57 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.179 47.2 128.1 -52.8 129.1 10.3 10.4 34.3 58 58 A N - 0 0 55 -9,-0.1 -2,-0.1 13,-0.0 -4,-0.0 -0.981 51.1 -71.4-164.2 174.1 12.2 13.5 33.0 59 59 A L S S+ 0 0 18 -2,-0.3 2,-0.2 11,-0.1 -53,-0.2 -0.993 102.4 45.2-122.5 136.9 12.4 17.3 33.0 60 60 A P S S+ 0 0 4 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.505 77.3 170.3 -73.2 162.6 10.6 19.1 31.7 61 61 A Y E -BC 5 70A 3 -56,-1.8 -56,-2.0 -2,-0.2 2,-0.4 -0.903 19.3-157.1-133.2 153.1 7.3 17.6 32.7 62 62 A L E -BC 4 69A 1 7,-2.2 7,-2.9 -2,-0.3 2,-0.5 -0.984 1.8-164.8-135.1 125.3 3.7 19.0 32.4 63 63 A I E +BC 3 68A 22 -60,-2.5 -60,-2.4 -2,-0.4 2,-0.5 -0.976 11.2 173.6-110.9 115.5 0.8 17.8 34.6 64 64 A D E > - C 0 67A 37 3,-3.5 3,-2.6 -2,-0.5 2,-0.3 -0.855 64.4 -71.8-126.9 83.3 -2.6 18.8 33.3 65 65 A G T 3 S- 0 0 60 -2,-0.5 -1,-0.1 -64,-0.4 -62,-0.0 -0.419 119.2 -7.1 68.4-119.1 -5.0 17.1 35.6 66 66 A S T 3 S+ 0 0 117 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.599 118.5 97.0 -78.5 -17.9 -4.9 13.4 34.9 67 67 A R E < -C 64 0A 92 -3,-2.6 -3,-3.5 2,-0.0 2,-0.5 -0.701 51.9-178.2 -80.3 121.5 -2.6 14.1 31.9 68 68 A K E -C 63 0A 73 -2,-0.5 2,-0.4 -5,-0.2 -13,-0.2 -0.999 8.6-180.0-123.6 118.9 1.1 13.7 32.7 69 69 A I E +C 62 0A 2 -7,-2.9 -7,-2.2 -2,-0.5 2,-0.2 -0.995 12.3 178.1-127.3 141.2 3.6 14.4 29.9 70 70 A T E +C 61 0A 3 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.695 47.9 72.4-127.0 170.0 7.4 14.4 29.4 71 71 A Q S >> S- 0 0 15 -11,-0.7 4,-1.9 -2,-0.2 3,-1.2 0.839 74.1-123.0 83.2 115.4 9.5 15.1 26.4 72 72 A S H 3> S+ 0 0 11 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.815 110.8 51.0 -50.0 -47.6 9.7 18.8 25.5 73 73 A N H 3> S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.841 108.5 51.5 -64.7 -29.1 8.4 18.3 22.0 74 74 A A H <> S+ 0 0 2 -3,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.863 109.5 51.1 -75.0 -34.3 5.4 16.2 23.2 75 75 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.933 110.3 48.9 -59.1 -51.9 4.6 19.1 25.7 76 76 A M H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.932 113.8 46.8 -53.4 -49.6 4.7 21.6 22.8 77 77 A R H X S+ 0 0 20 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.857 109.9 52.2 -62.3 -38.7 2.4 19.4 20.7 78 78 A Y H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.940 114.4 42.6 -64.4 -48.3 -0.0 18.8 23.4 79 79 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.900 112.4 55.3 -64.7 -34.3 -0.4 22.5 24.1 80 80 A A H <>S+ 0 0 0 -4,-2.8 5,-3.1 -5,-0.3 6,-0.3 0.902 108.8 45.7 -64.6 -48.1 -0.5 23.2 20.4 81 81 A R H ><5S+ 0 0 48 -4,-2.4 3,-0.8 3,-0.2 -1,-0.2 0.865 110.2 55.2 -64.3 -39.4 -3.4 20.8 19.7 82 82 A K H 3<5S+ 0 0 87 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.917 119.9 31.5 -60.6 -36.5 -5.3 22.2 22.8 83 83 A H T 3<5S- 0 0 69 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.142 111.6-110.3-109.4 15.2 -5.1 25.8 21.4 84 84 A H T < 5S+ 0 0 152 -3,-0.8 -3,-0.2 -4,-0.2 -4,-0.1 0.906 71.6 136.4 52.9 53.2 -5.1 25.1 17.6 85 85 A L < + 0 0 17 -5,-3.1 69,-2.4 -6,-0.1 70,-0.3 -0.189 37.8 105.4-117.3 36.0 -1.5 26.1 17.0 86 86 A C S S- 0 0 42 -6,-0.3 2,-0.1 67,-0.2 7,-0.1 -0.612 85.2 -82.2-104.7 169.1 -0.7 23.2 14.6 87 87 A G - 0 0 10 -2,-0.2 -1,-0.1 5,-0.1 -2,-0.1 -0.464 34.4-153.6 -68.4 150.7 -0.3 23.5 10.8 88 88 A E S S+ 0 0 127 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 0.643 72.7 40.3-100.9 -18.1 -3.7 23.4 9.1 89 89 A T S > S- 0 0 68 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.712 91.7-103.0-126.2 167.0 -2.6 21.9 5.8 90 90 A E H > S+ 0 0 39 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 120.6 54.7 -55.5 -45.3 -0.2 19.2 4.7 91 91 A E H > S+ 0 0 125 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.846 109.9 44.9 -60.2 -44.7 2.4 21.9 3.7 92 92 A E H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.836 112.0 53.2 -67.7 -36.6 2.3 23.6 7.1 93 93 A R H X S+ 0 0 94 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.879 110.3 46.8 -65.9 -41.8 2.5 20.3 8.9 94 94 A I H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.924 112.4 49.3 -67.3 -43.1 5.6 19.2 7.0 95 95 A R H X S+ 0 0 24 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.935 113.6 48.2 -59.3 -44.5 7.3 22.6 7.5 96 96 A A H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.921 110.0 50.3 -61.0 -49.3 6.5 22.3 11.2 97 97 A D H X S+ 0 0 6 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.877 113.7 46.0 -55.4 -46.3 7.8 18.8 11.6 98 98 A I H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.964 113.8 46.7 -67.2 -46.2 11.1 19.7 9.9 99 99 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.898 108.9 56.2 -63.0 -42.0 11.6 22.9 11.9 100 100 A E H X S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.927 114.9 37.7 -52.0 -51.1 10.8 21.1 15.2 101 101 A N H X S+ 0 0 10 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.842 113.9 54.7 -71.7 -38.7 13.5 18.5 14.6 102 102 A Q H X S+ 0 0 14 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.871 105.6 54.3 -59.6 -44.7 16.0 20.9 13.0 103 103 A V H X S+ 0 0 2 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.908 106.8 51.1 -54.3 -50.2 15.8 23.1 16.1 104 104 A M H X S+ 0 0 43 -4,-1.4 4,-2.5 -5,-0.3 -2,-0.2 0.914 109.0 51.4 -56.1 -45.1 16.6 20.1 18.3 105 105 A D H X S+ 0 0 57 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.924 112.7 44.5 -56.6 -45.5 19.7 19.4 16.1 106 106 A N H X S+ 0 0 5 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.750 112.7 52.7 -74.3 -26.4 21.0 23.0 16.4 107 107 A R H X S+ 0 0 14 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.925 108.8 49.3 -71.7 -46.2 20.3 22.9 20.1 108 108 A M H X S+ 0 0 74 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.833 107.4 55.1 -63.5 -33.3 22.3 19.7 20.6 109 109 A Q H X S+ 0 0 66 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.897 110.2 46.2 -65.5 -42.9 25.2 21.2 18.6 110 110 A L H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.888 112.7 49.5 -65.6 -44.5 25.3 24.2 21.0 111 111 A I H X S+ 0 0 50 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.884 106.4 56.8 -60.3 -44.3 25.1 21.9 24.1 112 112 A M H < S+ 0 0 112 -4,-2.3 4,-0.5 -5,-0.2 3,-0.2 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