==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE(GLUTATHIONE) 15-OCT-93 1HNA . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.RAGHUNATHAN,R.J.CHANDROSS,R.H.KRETSINGER,T.J.ALLISON, . 217 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 77.9 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 . 16 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 41.9 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 1 1 0 0 1 1 0 2 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 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 0 107 0, 0.0 64,-0.3 0, 0.0 26,-0.3 0.000 360.0 360.0 360.0 158.7 0.0 5.6 42.5 2 2 A M E -a 27 0A 9 24,-2.3 26,-2.6 62,-0.1 2,-0.5 -0.529 360.0-132.6 -86.0 158.7 0.9 7.8 39.5 3 3 A T E -aB 28 63A 31 60,-2.3 60,-2.5 24,-0.2 2,-0.6 -0.966 16.1-166.3-116.9 122.1 1.6 11.5 39.8 4 4 A L E -aB 29 62A 0 24,-2.5 26,-2.7 -2,-0.5 2,-0.4 -0.951 9.2-165.3-106.8 122.4 -0.1 13.8 37.4 5 5 A G E +aB 30 61A 0 56,-2.3 56,-1.7 -2,-0.6 2,-0.3 -0.912 25.8 126.3-111.5 138.2 1.4 17.3 37.4 6 6 A Y E -a 31 0A 15 24,-1.9 26,-1.6 -2,-0.4 5,-0.0 -0.961 59.3 -70.2-171.5 171.0 -0.3 20.3 35.8 7 7 A W E -a 32 0A 29 -2,-0.3 2,-2.7 24,-0.2 26,-0.2 -0.289 55.4 -99.4 -68.1 160.9 -1.4 23.9 36.6 8 8 A N S S+ 0 0 43 24,-2.3 2,-0.3 196,-0.1 26,-0.1 -0.471 98.1 93.4 -79.7 65.6 -4.3 24.4 39.0 9 9 A I S S- 0 0 2 -2,-2.7 4,-0.2 1,-0.2 199,-0.1 -0.954 84.4-115.8-154.1 161.6 -6.4 24.9 35.8 10 10 A R S >> S+ 0 0 21 195,-1.8 4,-0.9 197,-1.3 3,-0.9 0.995 74.0 111.8 -66.2 -68.2 -8.6 22.9 33.4 11 11 A G G >4 S- 0 0 4 196,-0.4 3,-0.7 1,-0.2 4,-0.3 0.189 90.2 -15.7 35.3-135.6 -6.4 23.2 30.3 12 12 A L G 34 S+ 0 0 45 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.589 127.9 65.4 -75.0 -16.8 -4.6 20.2 28.8 13 13 A A G <> S+ 0 0 0 -3,-0.9 4,-2.8 -4,-0.2 -1,-0.2 0.578 77.8 86.6 -84.3 -8.9 -5.0 17.9 31.9 14 14 A H H S+ 0 0 2 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.832 114.9 52.3 -60.1 -33.7 -9.0 14.7 29.3 16 16 A I H > S+ 0 0 0 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.937 107.7 49.2 -69.2 -46.6 -6.2 13.0 31.3 17 17 A R H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.911 112.4 50.3 -57.7 -44.1 -8.0 13.4 34.7 18 18 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.881 110.9 47.5 -62.3 -40.8 -11.1 12.0 33.1 19 19 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.876 111.4 50.6 -68.6 -39.2 -9.3 9.0 31.6 20 20 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 4,-0.2 0.928 113.7 45.9 -63.3 -43.1 -7.6 8.3 34.9 21 21 A E H ><5S+ 0 0 47 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.908 111.2 52.1 -64.9 -44.6 -10.9 8.4 36.7 22 22 A Y H 3<5S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.885 112.8 44.0 -60.0 -41.8 -12.6 6.2 34.1 23 23 A T T 3<5S- 0 0 24 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.359 108.7-124.4 -86.8 4.3 -9.9 3.5 34.4 24 24 A D T < 5 + 0 0 119 -3,-1.2 2,-0.2 -4,-0.2 -3,-0.2 0.858 47.6 174.3 53.8 41.6 -10.0 3.8 38.2 25 25 A S < - 0 0 20 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.567 35.2-119.5 -80.8 140.0 -6.3 4.4 38.2 26 26 A S + 0 0 83 -2,-0.2 -24,-2.3 2,-0.0 2,-0.3 -0.698 53.1 149.3 -78.4 124.8 -4.7 5.3 41.5 27 27 A Y E -a 2 0A 42 -2,-0.5 2,-0.3 -26,-0.3 -24,-0.2 -0.997 36.3-149.5-157.5 158.9 -3.1 8.7 41.2 28 28 A E E -a 3 0A 109 -26,-2.6 -24,-2.5 -2,-0.3 2,-0.5 -0.918 23.0-127.3-127.8 151.8 -2.2 11.9 43.1 29 29 A E E -a 4 0A 59 -2,-0.3 2,-0.8 -26,-0.2 -24,-0.2 -0.893 9.9-162.8-111.0 130.3 -2.1 15.4 41.7 30 30 A K E -a 5 0A 72 -26,-2.7 -24,-1.9 -2,-0.5 2,-0.4 -0.916 23.2-166.5-104.9 106.8 0.8 17.9 41.9 31 31 A K E -a 6 0A 56 -2,-0.8 2,-0.4 -26,-0.2 -24,-0.2 -0.821 10.2-157.7-101.9 140.1 -0.7 21.2 41.2 32 32 A Y E -a 7 0A 0 -26,-1.6 -24,-2.3 -2,-0.4 2,-0.3 -0.914 11.0-147.3-112.5 139.6 1.2 24.4 40.4 33 33 A T - 0 0 66 -2,-0.4 11,-0.4 -26,-0.2 2,-0.3 -0.785 6.8-140.7-107.6 150.8 -0.3 27.8 40.9 34 34 A M - 0 0 16 -2,-0.3 2,-0.6 -26,-0.1 8,-0.2 -0.747 40.9 -78.2-105.1 158.8 0.3 30.9 38.8 35 35 A G - 0 0 13 -2,-0.3 7,-0.1 1,-0.1 -1,-0.0 -0.428 38.4-151.5 -63.3 107.8 0.7 34.5 40.1 36 36 A D S S+ 0 0 122 -2,-0.6 -1,-0.1 4,-0.1 4,-0.1 0.894 76.8 56.4 -39.7 -65.4 -2.9 35.8 40.8 37 37 A A S S- 0 0 48 2,-0.2 4,-0.2 1,-0.1 173,-0.0 -0.142 118.2 -72.5 -66.6 167.9 -2.1 39.4 40.1 38 38 A P S S+ 0 0 112 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.406 123.7 74.3 -36.6 -6.6 -0.6 40.8 36.9 39 39 A D S S- 0 0 135 2,-0.1 2,-2.7 -5,-0.0 -2,-0.2 -0.724 78.4-159.3-116.5 73.4 2.8 39.3 37.8 40 40 A Y - 0 0 79 -2,-0.6 2,-0.4 -4,-0.1 -4,-0.1 -0.309 8.9-153.4 -58.0 72.8 1.8 35.7 37.1 41 41 A D + 0 0 97 -2,-2.7 3,-0.4 -7,-0.2 -5,-0.1 -0.319 22.6 174.0 -55.2 103.1 4.5 34.1 39.2 42 42 A R >> + 0 0 106 -2,-0.4 4,-2.3 -8,-0.2 3,-1.5 0.218 44.4 114.8 -96.0 12.1 5.1 30.7 37.5 43 43 A S H 3> + 0 0 39 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.731 59.3 69.5 -57.1 -28.2 8.0 30.0 39.9 44 44 A Q H 34 S+ 0 0 75 -11,-0.4 4,-0.3 -3,-0.4 -1,-0.3 0.885 113.2 30.9 -60.8 -34.7 6.3 27.1 41.6 45 45 A W H X> S+ 0 0 5 -3,-1.5 3,-1.8 -12,-0.2 4,-1.2 0.917 117.7 54.9 -85.2 -48.8 6.8 25.2 38.4 46 46 A L H 3< S+ 0 0 74 -4,-2.3 4,-0.4 1,-0.3 3,-0.3 0.836 100.5 62.6 -55.2 -32.7 10.0 26.9 37.2 47 47 A N T 3< S+ 0 0 117 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.737 119.5 22.7 -67.7 -24.5 11.7 26.0 40.5 48 48 A E T X4 S+ 0 0 46 -3,-1.8 3,-1.6 -4,-0.3 4,-0.2 0.334 89.4 108.2-124.8 9.6 11.3 22.2 39.9 49 49 A K G >< S+ 0 0 56 -4,-1.2 3,-0.5 -3,-0.3 5,-0.3 0.892 91.2 34.0 -51.7 -46.8 11.0 22.1 36.1 50 50 A F G 3 S+ 0 0 164 -4,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.215 109.3 68.1 -97.9 17.0 14.5 20.6 35.6 51 51 A K G < S+ 0 0 171 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.206 79.7 75.8-119.7 16.4 14.5 18.5 38.8 52 52 A L S < S- 0 0 36 -3,-0.5 -2,-0.1 -4,-0.2 -1,-0.1 0.505 100.5-115.5-103.8 -10.3 11.9 15.9 38.0 53 53 A G + 0 0 54 1,-0.3 2,-0.3 -4,-0.1 15,-0.1 0.697 60.1 154.5 81.9 18.7 13.9 13.8 35.6 54 54 A L - 0 0 16 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.641 43.6-144.0 -81.2 134.7 11.7 14.5 32.6 55 55 A D S S+ 0 0 133 -2,-0.3 -1,-0.1 13,-0.3 14,-0.1 0.905 100.9 17.6 -64.1 -41.1 13.4 14.2 29.2 56 56 A F S S- 0 0 154 2,-0.1 -1,-0.3 -3,-0.0 15,-0.1 -0.717 94.4-141.8-131.9 79.0 11.5 17.2 27.9 57 57 A P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.074 44.3 127.4 -48.7 135.7 10.1 19.0 31.0 58 58 A N - 0 0 70 -9,-0.1 -2,-0.1 13,-0.0 -4,-0.0 -0.963 52.1 -69.2-176.6 169.6 6.6 20.3 30.4 59 59 A L S S+ 0 0 13 -2,-0.3 -53,-0.1 11,-0.1 2,-0.1 -0.994 103.0 41.1-125.6 133.1 3.1 20.4 31.9 60 60 A P S S+ 0 0 2 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.510 77.6 167.6 -81.3 167.7 1.2 18.2 32.1 61 61 A Y E -BC 5 70A 5 -56,-1.7 -56,-2.3 9,-0.2 2,-0.4 -0.950 22.0-152.0-138.4 158.0 3.5 15.3 33.1 62 62 A L E -BC 4 69A 0 7,-2.2 7,-2.9 -2,-0.3 2,-0.6 -0.990 3.8-165.3-134.9 124.6 2.8 11.8 34.3 63 63 A I E +BC 3 68A 33 -60,-2.5 -60,-2.3 -2,-0.4 2,-0.3 -0.959 13.7 168.9-111.8 120.9 5.2 9.8 36.5 64 64 A D E > - C 0 67A 36 3,-3.6 3,-2.2 -2,-0.6 2,-0.6 -0.763 63.7 -71.7-132.1 84.7 4.4 6.1 36.7 65 65 A G T 3 S- 0 0 63 -2,-0.3 -1,-0.0 -64,-0.3 0, 0.0 -0.522 120.3 -4.9 69.6-112.1 7.3 4.4 38.5 66 66 A T T 3 S+ 0 0 131 -2,-0.6 2,-0.6 -3,-0.1 -1,-0.3 0.588 120.5 92.1 -88.2 -12.5 10.2 4.4 36.0 67 67 A H E < +C 64 0A 98 -3,-2.2 -3,-3.6 2,-0.0 2,-0.5 -0.748 49.4 176.2 -90.1 120.1 8.0 5.9 33.3 68 68 A K E -C 63 0A 89 -2,-0.6 2,-0.4 -5,-0.2 -13,-0.3 -0.976 12.4-176.2-124.5 112.7 8.0 9.7 33.2 69 69 A I E -C 62 0A 26 -7,-2.9 -7,-2.2 -2,-0.5 2,-0.2 -0.912 12.8-179.3-118.8 137.4 5.9 11.1 30.3 70 70 A T E +C 61 0A 18 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.729 49.2 70.2-119.5 175.9 5.3 14.6 28.9 71 71 A Q S >> S- 0 0 113 -11,-0.7 4,-2.1 -2,-0.2 3,-0.6 0.785 75.3-121.9 75.9 109.5 3.1 15.7 26.0 72 72 A S H 3> S+ 0 0 8 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.829 110.2 51.4 -47.6 -43.4 -0.7 15.3 26.7 73 73 A N H 3> S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.885 109.3 50.2 -66.1 -38.7 -1.3 13.0 23.7 74 74 A A H <> S+ 0 0 42 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.885 110.6 51.1 -66.3 -36.9 1.5 10.6 24.7 75 75 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.938 110.7 47.1 -64.6 -48.1 0.1 10.5 28.3 76 76 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.946 113.3 48.8 -59.5 -46.8 -3.4 9.6 27.1 77 77 A R H X S+ 0 0 55 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.841 107.8 56.0 -61.8 -36.0 -2.0 6.9 24.8 78 78 A Y H X S+ 0 0 31 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.947 113.9 37.8 -60.9 -51.5 0.1 5.5 27.6 79 79 A I H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 3,-0.4 0.910 115.9 53.5 -67.7 -42.5 -2.9 5.0 29.9 80 80 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-1.3 0.898 103.6 56.5 -59.6 -42.6 -5.2 3.9 27.1 81 81 A R H ><5S+ 0 0 151 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.850 104.6 53.0 -58.2 -37.7 -2.8 1.2 25.9 82 82 A K H 3<5S+ 0 0 102 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.631 115.9 40.5 -74.8 -14.7 -2.8 -0.3 29.4 83 83 A H T <<5S- 0 0 71 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.051 111.9-104.0-126.0 28.0 -6.6 -0.5 29.4 84 84 A N T < 5S+ 0 0 135 -3,-0.8 -3,-0.2 1,-0.1 -4,-0.1 0.861 75.8 135.0 56.9 37.8 -7.7 -1.6 25.9 85 85 A L < + 0 0 10 -5,-2.3 69,-2.7 -8,-0.1 2,-0.3 -0.174 41.0 100.6-110.5 42.2 -8.8 2.0 24.9 86 86 A C S S- 0 0 36 67,-0.2 7,-0.1 -6,-0.2 2,-0.1 -0.885 79.9 -98.3-125.8 154.3 -7.2 2.0 21.4 87 87 A G - 0 0 5 -2,-0.3 -2,-0.1 5,-0.2 -3,-0.0 -0.413 34.5-166.1 -66.7 144.4 -8.4 1.5 17.8 88 88 A E + 0 0 143 -2,-0.1 -1,-0.1 5,-0.0 2,-0.1 0.850 58.4 60.6-104.3 -47.3 -7.6 -2.0 16.7 89 89 A S S > S- 0 0 57 1,-0.1 4,-2.5 4,-0.0 3,-0.2 -0.383 89.7-108.9 -81.2 163.4 -8.0 -2.3 12.9 90 90 A E H > S+ 0 0 143 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.880 122.0 55.7 -56.9 -34.3 -5.9 -0.3 10.5 91 91 A K H > S+ 0 0 149 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 108.7 45.5 -66.1 -41.4 -9.1 1.6 9.7 92 92 A E H > S+ 0 0 50 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.882 111.8 51.7 -71.0 -38.5 -9.6 2.6 13.4 93 93 A Q H X S+ 0 0 92 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.911 108.8 50.3 -66.1 -40.4 -5.9 3.5 13.8 94 94 A I H X S+ 0 0 88 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.936 113.1 48.3 -61.7 -43.0 -6.0 5.8 10.8 95 95 A R H X S+ 0 0 66 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.911 110.8 47.9 -63.6 -46.5 -9.1 7.4 12.2 96 96 A E H X S+ 0 0 7 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.903 111.0 52.9 -65.3 -35.0 -7.7 7.9 15.8 97 97 A D H X S+ 0 0 70 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.924 112.4 43.5 -63.8 -47.0 -4.6 9.4 14.3 98 98 A I H X S+ 0 0 95 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.949 117.5 46.3 -63.0 -48.5 -6.5 12.0 12.2 99 99 A L H X S+ 0 0 5 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.914 108.3 54.7 -61.3 -46.3 -8.9 12.8 15.1 100 100 A E H X S+ 0 0 16 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.911 116.5 38.3 -54.3 -44.6 -6.1 13.1 17.7 101 101 A N H X S+ 0 0 94 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.875 115.0 53.7 -77.2 -34.5 -4.4 15.7 15.5 102 102 A Q H X S+ 0 0 83 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.919 108.0 49.4 -66.3 -45.3 -7.6 17.4 14.3 103 103 A F H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.874 107.2 55.1 -63.0 -36.3 -8.9 18.0 17.9 104 104 A M H X S+ 0 0 42 -4,-1.2 4,-2.6 -5,-0.3 -1,-0.2 0.914 107.2 51.1 -62.8 -41.1 -5.5 19.5 18.9 105 105 A D H X S+ 0 0 97 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.939 112.0 46.2 -60.8 -45.5 -5.9 21.9 16.0 106 106 A S H X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 3,-0.4 0.922 110.8 52.8 -63.5 -43.5 -9.4 22.9 17.2 107 107 A R H >X S+ 0 0 22 -4,-2.9 4,-3.0 1,-0.2 3,-0.6 0.938 106.3 53.9 -56.9 -48.1 -8.2 23.2 20.8 108 108 A M H 3X S+ 0 0 93 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.804 103.2 56.3 -58.7 -32.8 -5.5 25.6 19.7 109 109 A Q H 3X S+ 0 0 75 -4,-1.4 4,-1.3 -3,-0.4 -1,-0.2 0.861 113.1 40.9 -67.4 -37.4 -7.9 27.9 17.9 110 110 A L H << S+ 0 0 4 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.922 111.3 54.9 -76.0 -43.9 -9.9 28.3 21.1 111 111 A A H >X S+ 0 0 15 -4,-3.0 4,-2.0 1,-0.2 3,-0.8 0.848 104.0 59.4 -55.4 -36.2 -6.8 28.5 23.3 112 112 A K H 3< S+ 0 0 142 -4,-1.8 2,-1.6 1,-0.3 -1,-0.2 0.961 104.3 47.0 -58.0 -55.7 -5.7 31.4 21.0 113 113 A L T 3< S+ 0 0 6 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.1 -0.287 113.9 52.8 -83.7 52.7 -8.9 33.5 21.8 114 114 A C T <4 S+ 0 0 0 -2,-1.6 100,-0.8 -3,-0.8 99,-0.4 0.336 103.9 45.2-144.6 -59.8 -8.4 32.8 25.5 115 115 A Y S < S+ 0 0 87 -4,-2.0 -2,-0.1 97,-0.3 -3,-0.1 -0.002 97.4 109.4 -82.5 30.9 -4.8 33.8 26.5 116 116 A D - 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