==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-DEC-98 1B4P . COMPND 2 MOLECULE: PROTEIN (GLUTATHIONE S-TRANSFERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR G.XIAO,J.CHEN,R.N.ARMSTRONG,G.L.GILLILAND . 217 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.1 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 . 2 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 . 7 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 42.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 2 0 1 0 2 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 1 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 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 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 0 105 0, 0.0 64,-0.4 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 168.2 14.6 35.7 30.5 2 2 A M E -a 27 0A 8 24,-2.0 26,-1.9 62,-0.1 2,-0.5 -0.586 360.0-138.6 -79.3 150.5 17.3 33.8 28.6 3 3 A I E -aB 28 63A 46 60,-2.3 60,-2.6 -2,-0.2 2,-0.5 -0.987 13.3-164.0-114.0 123.2 16.6 30.0 28.3 4 4 A L E -aB 29 62A 0 24,-2.5 26,-2.9 -2,-0.5 2,-0.4 -0.932 8.9-167.8-102.2 126.5 19.4 27.6 28.8 5 5 A G E +aB 30 61A 0 56,-2.7 56,-1.7 -2,-0.5 2,-0.3 -0.895 23.7 125.7-121.1 140.1 18.8 24.1 27.5 6 6 A Y E -a 31 0A 21 24,-1.6 26,-2.3 -2,-0.4 5,-0.0 -0.975 58.9 -71.0-175.0 164.2 20.9 20.9 28.2 7 7 A W E -a 32 0A 33 -2,-0.3 2,-1.1 24,-0.3 26,-0.2 -0.234 56.8 -98.2 -62.2 162.2 20.8 17.4 29.5 8 8 A N S S+ 0 0 83 24,-1.6 2,-0.3 23,-0.2 -1,-0.1 -0.321 97.9 84.1 -84.5 57.9 20.2 16.9 33.3 9 9 A V S S- 0 0 16 -2,-1.1 198,-0.2 1,-0.1 4,-0.1 -0.907 88.5-112.7-151.4 165.3 24.0 16.4 33.8 10 10 A R >> + 0 0 0 196,-2.6 3,-1.7 -2,-0.3 4,-0.7 0.958 64.2 141.4 -69.3 -51.5 27.0 18.7 34.4 11 11 A G T 34 S- 0 0 14 196,-2.8 3,-0.3 1,-0.2 -1,-0.1 -0.043 82.5 -33.8 47.5-124.2 28.5 17.6 31.0 12 12 A L T 34 S+ 0 0 53 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.237 126.0 81.3-110.3 18.2 30.2 20.6 29.2 13 13 A T T X> + 0 0 0 -3,-1.7 4,-2.4 1,-0.1 3,-1.1 0.624 55.9 95.5-103.3 -3.3 27.7 23.2 30.6 14 14 A H H 3X S+ 0 0 0 -4,-0.7 4,-3.1 -3,-0.3 5,-0.3 0.907 84.5 53.4 -55.0 -44.3 28.9 23.9 34.1 15 15 A P H 3> S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.838 109.6 49.2 -61.0 -35.0 30.9 27.0 32.9 16 16 A I H <> S+ 0 0 1 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.929 110.9 48.0 -70.5 -46.8 27.8 28.4 31.3 17 17 A R H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.937 114.5 48.8 -53.3 -45.2 25.6 27.8 34.4 18 18 A L H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.3 -1,-0.2 0.902 111.4 47.8 -61.9 -45.2 28.4 29.4 36.5 19 19 A L H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.3 0.830 107.4 54.6 -66.3 -42.9 28.7 32.5 34.3 20 20 A L H <>S+ 0 0 1 -4,-2.2 5,-2.5 2,-0.2 4,-0.4 0.877 113.9 45.6 -52.4 -40.3 24.9 33.1 34.2 21 21 A E H ><5S+ 0 0 19 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.933 111.1 49.3 -66.3 -52.0 25.2 33.1 38.0 22 22 A Y H 3<5S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.840 112.4 48.5 -54.1 -45.6 28.2 35.3 38.3 23 23 A T T 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.466 107.4-123.0 -81.0 -4.6 26.8 37.9 35.9 24 24 A D T < 5 + 0 0 106 -3,-1.5 -3,-0.2 -4,-0.4 2,-0.2 0.849 48.8 172.9 66.9 28.7 23.4 38.0 37.7 25 25 A S < - 0 0 17 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.2 -0.481 35.9-122.6 -72.2 144.5 21.7 37.1 34.4 26 26 A S + 0 0 82 -2,-0.2 -24,-2.0 2,-0.0 2,-0.3 -0.798 52.4 152.9 -86.8 117.4 17.9 36.4 34.6 27 27 A Y E -a 2 0A 44 -2,-0.6 2,-0.3 -26,-0.2 -24,-0.2 -0.977 38.0-151.1-147.3 161.9 17.5 32.9 33.2 28 28 A E E -a 3 0A 104 -26,-1.9 -24,-2.5 -2,-0.3 2,-0.4 -0.926 21.5-140.8-129.3 144.9 15.4 29.7 33.2 29 29 A E E -a 4 0A 46 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.968 10.2-161.9-112.1 136.3 16.7 26.2 32.6 30 30 A K E -a 5 0A 74 -26,-2.9 -24,-1.6 -2,-0.4 2,-0.5 -0.975 13.8-168.6-108.3 123.8 15.3 23.3 30.7 31 31 A R E -a 6 0A 72 -2,-0.5 -24,-0.3 -26,-0.2 2,-0.2 -0.989 13.5-146.2-116.5 112.3 17.1 20.1 31.7 32 32 A Y E -a 7 0A 1 -26,-2.3 -24,-1.6 -2,-0.5 2,-0.2 -0.581 9.4-128.6 -84.2 146.1 16.2 17.2 29.4 33 33 A A - 0 0 57 -2,-0.2 2,-0.4 -26,-0.2 12,-0.3 -0.648 14.6-145.8 -88.7 157.2 15.9 13.6 30.6 34 34 A M - 0 0 28 -2,-0.2 7,-0.2 10,-0.1 8,-0.2 -0.979 25.1-106.0-123.9 130.2 17.7 10.7 29.0 35 35 A G - 0 0 17 6,-4.1 175,-0.1 -2,-0.4 2,-0.1 -0.076 31.3-125.1 -53.6 151.6 16.3 7.2 28.8 36 36 A D > - 0 0 81 1,-0.2 4,-1.3 4,-0.1 5,-0.5 -0.138 62.3 -2.5 -84.2-175.5 17.8 4.6 31.1 37 37 A A T 4 S+ 0 0 74 1,-0.2 -1,-0.2 2,-0.2 2,-0.1 -0.146 111.8 2.9 -69.8 158.6 19.2 1.4 29.4 38 38 A P T 4 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.986 130.8 30.1-100.3 -9.5 19.5 0.1 26.9 39 39 A D T 4 S- 0 0 133 -3,-0.3 -2,-0.2 -2,-0.1 3,-0.2 0.473 78.8-147.3 -92.9 0.6 18.1 2.5 24.4 40 40 A Y < - 0 0 75 -4,-1.3 -5,-0.2 1,-0.1 -3,-0.1 0.824 25.7-138.8 40.2 45.3 19.0 5.7 26.3 41 41 A D - 0 0 73 -5,-0.5 -6,-4.1 -7,-0.2 -1,-0.1 0.058 30.0-179.3 -37.4 128.4 15.8 7.4 24.9 42 42 A R >> + 0 0 101 -8,-0.2 4,-2.4 -3,-0.2 3,-1.4 0.157 43.6 122.0-116.8 14.6 16.5 11.0 23.8 43 43 A S H 3> + 0 0 46 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.839 64.4 62.9 -44.7 -48.2 12.9 11.5 22.7 44 44 A Q H 34 S+ 0 0 74 1,-0.2 4,-0.4 -11,-0.2 -1,-0.3 0.885 115.7 31.0 -48.0 -43.6 12.3 14.4 25.0 45 45 A W H X> S+ 0 0 4 -3,-1.4 3,-1.4 -12,-0.3 4,-1.2 0.909 116.4 55.8 -83.6 -49.1 15.0 16.5 23.2 46 46 A L H 3X S+ 0 0 76 -4,-2.4 4,-0.6 1,-0.3 3,-0.3 0.866 98.6 64.9 -54.1 -31.0 14.6 15.0 19.7 47 47 A N H 3< S+ 0 0 105 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.861 118.8 23.5 -59.4 -40.0 10.9 16.0 19.8 48 48 A E H X> S+ 0 0 44 -3,-1.4 3,-1.4 -4,-0.4 4,-0.7 0.418 90.8 104.9-105.7 -4.6 11.9 19.6 19.9 49 49 A K H 3< S+ 0 0 47 -4,-1.2 5,-0.3 -3,-0.3 3,-0.3 0.818 95.8 30.4 -46.7 -38.2 15.4 19.6 18.4 50 50 A F T 3< S+ 0 0 159 -4,-0.6 3,-0.4 1,-0.2 -1,-0.3 0.472 109.1 70.6-103.5 6.3 14.1 21.1 15.1 51 51 A K T <4 S+ 0 0 162 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.510 81.9 72.2-103.9 2.1 11.2 23.1 16.6 52 52 A L S < S- 0 0 30 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.1 0.431 99.5-116.8 -95.8 -2.1 13.3 25.8 18.3 53 53 A G + 0 0 55 -3,-0.4 2,-0.3 1,-0.2 15,-0.1 0.757 58.1 155.5 73.0 29.2 14.6 27.8 15.4 54 54 A L - 0 0 16 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.737 43.1-140.6 -88.3 146.6 18.3 27.0 16.1 55 55 A D S S+ 0 0 137 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.864 99.9 15.9 -69.1 -47.1 20.7 27.2 13.0 56 56 A F S S- 0 0 161 2,-0.1 -1,-0.3 -3,-0.0 15,-0.1 -0.820 95.2-136.9-125.9 94.5 22.6 24.1 14.0 57 57 A P + 0 0 28 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.208 46.5 131.8 -57.6 134.7 20.4 22.3 16.7 58 58 A N - 0 0 70 -9,-0.1 -2,-0.1 13,-0.0 -4,-0.0 -0.938 50.2 -76.1-168.7 173.8 22.5 21.1 19.6 59 59 A L S S+ 0 0 17 -2,-0.3 2,-0.2 1,-0.1 -53,-0.2 -0.993 103.2 45.3-128.4 130.5 22.8 21.0 23.4 60 60 A P S S+ 0 0 3 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.464 77.8 169.5 -74.2 164.9 23.6 23.2 25.1 61 61 A Y E -BC 5 70A 4 -56,-1.7 -56,-2.7 -2,-0.2 2,-0.4 -0.923 19.2-155.6-134.4 149.7 21.6 26.0 23.5 62 62 A L E -BC 4 69A 0 7,-2.6 7,-2.9 -2,-0.3 2,-0.5 -0.997 2.6-164.0-125.6 132.3 20.9 29.5 24.8 63 63 A I E +BC 3 68A 22 -60,-2.6 -60,-2.3 -2,-0.4 2,-0.4 -0.961 11.1 174.0-114.4 116.6 17.9 31.6 23.8 64 64 A D E > - C 0 67A 33 3,-3.2 3,-2.1 -2,-0.5 2,-0.3 -0.757 62.1 -78.3-125.4 78.5 18.2 35.3 24.5 65 65 A G T 3 S+ 0 0 56 -2,-0.4 -1,-0.1 -64,-0.4 -62,-0.1 -0.498 119.8 1.4 67.5-117.2 15.1 36.9 22.9 66 66 A S T 3 S+ 0 0 116 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.620 119.1 86.0 -75.5 -21.7 15.9 37.0 19.2 67 67 A R E < -C 64 0A 150 -3,-2.1 -3,-3.2 2,-0.0 2,-0.5 -0.761 54.0-174.9 -88.8 132.7 19.3 35.4 19.5 68 68 A K E -C 63 0A 85 -2,-0.4 2,-0.4 -5,-0.2 -13,-0.3 -0.997 12.6-175.6-128.4 118.0 19.5 31.6 19.5 69 69 A I E +C 62 0A 27 -7,-2.9 -7,-2.6 -2,-0.5 2,-0.3 -0.979 13.0 178.4-123.9 138.4 22.9 30.2 20.1 70 70 A T E +C 61 0A 19 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.804 47.3 69.9-124.2 172.7 24.5 26.7 20.1 71 71 A Q S >> S- 0 0 116 -11,-0.7 4,-1.8 -2,-0.3 3,-1.0 0.775 74.7-120.3 81.4 115.9 28.1 25.5 20.7 72 72 A S H 3> S+ 0 0 8 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.842 111.5 50.0 -49.4 -46.4 29.3 25.9 24.3 73 73 A N H 3> S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.829 109.5 52.2 -59.1 -41.9 32.2 28.2 23.5 74 74 A A H <> S+ 0 0 37 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.879 109.2 49.1 -62.2 -38.6 29.9 30.5 21.5 75 75 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.928 111.0 52.4 -66.2 -45.5 27.4 30.8 24.4 76 76 A M H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.935 111.0 44.6 -58.6 -39.5 30.4 31.6 26.6 77 77 A R H X S+ 0 0 107 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.864 109.9 55.5 -77.5 -31.5 31.7 34.4 24.4 78 78 A Y H X S+ 0 0 23 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.964 112.7 42.0 -63.1 -50.4 28.2 35.9 23.9 79 79 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.906 114.7 53.5 -61.8 -40.6 27.8 36.2 27.7 80 80 A A H <>S+ 0 0 0 -4,-2.7 5,-3.1 1,-0.2 4,-0.4 0.863 109.2 46.8 -54.0 -50.5 31.4 37.4 27.9 81 81 A R H ><5S+ 0 0 153 -4,-2.2 3,-0.8 3,-0.2 -1,-0.2 0.904 111.4 51.4 -62.6 -43.7 30.8 40.2 25.4 82 82 A K H 3<5S+ 0 0 100 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.796 120.9 34.0 -66.4 -28.1 27.6 41.3 27.0 83 83 A H T 3<5S- 0 0 65 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.192 110.9-112.8-115.0 12.2 29.3 41.5 30.4 84 84 A H T < 5 + 0 0 148 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.844 67.8 140.6 57.9 46.1 32.7 42.7 29.4 85 85 A L < + 0 0 15 -5,-3.1 69,-2.7 -6,-0.2 70,-0.3 -0.152 36.9 107.6-109.5 39.6 34.5 39.5 30.5 86 86 A C S S- 0 0 41 -6,-0.3 2,-0.1 67,-0.2 7,-0.1 -0.674 81.2 -86.6-104.9 164.5 37.0 39.3 27.5 87 87 A G - 0 0 11 -2,-0.2 -1,-0.1 5,-0.1 3,-0.1 -0.409 35.3-161.0 -65.8 144.7 40.7 40.0 27.2 88 88 A E + 0 0 137 -2,-0.1 2,-0.3 -3,-0.0 -1,-0.1 0.346 68.1 46.0-111.4 -13.0 41.3 43.7 26.6 89 89 A T S > S- 0 0 73 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.917 92.2-105.0-122.6 167.3 44.8 43.7 25.2 90 90 A E H > S+ 0 0 105 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.899 120.7 53.3 -60.9 -42.4 46.4 41.5 22.5 91 91 A E H > S+ 0 0 132 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 111.6 46.9 -61.2 -38.6 48.4 39.5 25.1 92 92 A E H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.910 110.1 51.3 -72.0 -37.5 45.1 38.8 27.0 93 93 A R H X S+ 0 0 124 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.852 110.1 51.1 -65.3 -42.9 43.1 37.9 23.9 94 94 A I H X S+ 0 0 86 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.926 110.2 47.4 -53.9 -53.9 45.8 35.4 22.9 95 95 A R H X S+ 0 0 31 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.942 113.3 49.4 -56.8 -44.5 45.8 33.8 26.4 96 96 A V H X S+ 0 0 5 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.917 111.3 48.8 -60.1 -52.9 42.0 33.6 26.3 97 97 A D H X S+ 0 0 85 -4,-3.2 4,-1.6 2,-0.2 -1,-0.2 0.910 114.0 44.4 -58.2 -45.4 42.0 32.0 22.8 98 98 A V H X S+ 0 0 82 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.958 116.3 46.8 -59.8 -50.6 44.6 29.3 23.6 99 99 A L H X S+ 0 0 6 -4,-2.9 4,-3.3 -5,-0.2 5,-0.3 0.818 107.0 56.7 -68.1 -38.0 43.1 28.4 26.9 100 100 A E H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.929 115.3 38.6 -47.8 -51.7 39.5 28.3 25.6 101 101 A N H X S+ 0 0 92 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.916 116.2 50.8 -68.6 -36.8 40.6 25.7 23.0 102 102 A Q H X S+ 0 0 82 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.904 106.6 55.1 -71.5 -36.4 43.0 23.9 25.4 103 103 A A H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.3 -1,-0.2 0.838 108.4 50.5 -65.7 -35.7 40.2 23.6 28.1 104 104 A M H X S+ 0 0 32 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.3 0.944 109.6 48.3 -64.8 -51.4 38.1 21.9 25.5 105 105 A D H X S+ 0 0 89 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.921 112.2 50.8 -54.3 -43.0 40.9 19.4 24.5 106 106 A T H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.942 112.0 46.2 -65.2 -41.0 41.4 18.6 28.3 107 107 A R H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.882 111.8 51.1 -63.8 -45.0 37.7 18.0 28.9 108 108 A L H X S+ 0 0 96 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.881 108.2 52.1 -60.6 -40.5 37.4 15.8 25.8 109 109 A Q H X S+ 0 0 68 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.938 110.6 47.8 -66.4 -39.2 40.4 13.6 26.8 110 110 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.906 111.8 50.6 -66.2 -40.1 38.8 13.1 30.2 111 111 A A H X S+ 0 0 17 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.921 104.9 57.5 -64.1 -40.6 35.5 12.2 28.6 112 112 A M H X S+ 0 0 136 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.873 110.2 43.8 -55.9 -47.0 37.1 9.7 26.2 113 113 A V H >< S+ 0 0 16 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.917 114.2 48.8 -65.7 -45.8 38.5 7.8 29.2 114 114 A C H 3< S+ 0 0 0 -4,-2.0 99,-3.2 1,-0.3 100,-0.7 0.716 113.7 46.9 -70.2 -26.4 35.3 7.9 31.2 115 115 A Y H 3< S+ 0 0 91 -4,-2.1 -1,-0.3 97,-0.2 -2,-0.2 0.514 87.8 105.9 -90.8 -12.3 33.2 6.8 28.3 116 116 A S X< - 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