==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-MAY-07 2PVQ . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OCHROBACTRUM ANTHROPI; . AUTHOR N.ALLOCATI,L.FEDERICI,M.MASULLI,B.FAVALORO,C.DI ILIO . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 10 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 42.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 0 0 1 2 1 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 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 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 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 52 0, 0.0 25,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 158.2 47.6 24.8 59.5 2 2 A K E -aB 26 56A 37 54,-2.3 54,-3.0 23,-0.2 2,-0.5 -0.964 360.0-154.8-120.9 121.5 48.7 21.2 59.8 3 3 A L E -aB 27 55A 0 23,-2.7 25,-2.7 -2,-0.5 2,-0.5 -0.826 5.3-151.4 -97.2 122.9 47.3 18.3 57.7 4 4 A Y E +aB 28 54A 15 50,-3.0 50,-1.1 -2,-0.5 2,-0.3 -0.827 35.1 161.1 -88.4 121.4 47.3 14.8 59.1 5 5 A Y E -a 29 0A 28 23,-2.3 25,-2.5 -2,-0.5 2,-0.4 -0.900 38.2-143.5-140.2 159.8 47.5 12.5 56.0 6 6 A K > - 0 0 104 -2,-0.3 3,-2.2 23,-0.2 5,-0.2 -0.987 50.0 -88.1-121.8 142.9 48.4 8.9 54.9 7 7 A V T 3 S- 0 0 71 -2,-0.4 3,-0.1 1,-0.3 188,-0.0 -0.206 108.0 -5.0 -53.6 122.3 50.1 8.5 51.5 8 8 A G T 3 S+ 0 0 23 1,-0.2 -1,-0.3 187,-0.1 2,-0.0 0.432 103.3 125.7 76.3 3.4 47.6 8.1 48.8 9 9 A A S X S- 0 0 17 -3,-2.2 3,-2.4 1,-0.1 4,-0.2 -0.184 84.7 -81.8 -86.5-178.9 44.6 8.2 51.1 10 10 A A T > S+ 0 0 5 1,-0.3 3,-1.4 42,-0.2 150,-0.1 0.660 121.3 78.6 -61.8 -18.6 41.6 10.5 50.9 11 11 A S T 3> S+ 0 0 0 1,-0.2 4,-1.8 -5,-0.2 -1,-0.3 0.654 74.5 78.3 -62.5 -15.3 43.7 13.1 52.7 12 12 A L H <> S+ 0 0 4 -3,-2.4 4,-2.8 -6,-0.2 -1,-0.2 0.836 83.6 65.3 -62.6 -29.9 45.4 13.8 49.3 13 13 A A H <> S+ 0 0 0 -3,-1.4 4,-2.2 -4,-0.2 -1,-0.2 0.975 107.0 36.2 -58.8 -59.2 42.3 15.8 48.4 14 14 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.818 113.4 60.2 -65.1 -26.5 42.9 18.6 51.0 15 15 A H H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.955 107.6 45.8 -60.0 -46.6 46.6 18.2 50.4 16 16 A I H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.930 114.0 48.1 -60.0 -45.9 46.0 19.2 46.8 17 17 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.897 109.0 52.4 -70.0 -37.2 43.7 22.1 47.8 18 18 A L H X>S+ 0 0 0 -4,-2.8 4,-1.1 2,-0.2 5,-0.8 0.915 112.1 47.4 -58.0 -45.5 46.1 23.4 50.4 19 19 A S H <5S+ 0 0 4 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.928 112.4 48.6 -63.5 -44.4 48.8 23.4 47.6 20 20 A E H <5S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.817 109.4 53.4 -62.6 -35.1 46.4 25.1 45.1 21 21 A A H <5S- 0 0 15 -4,-2.1 57,-0.3 -5,-0.2 -1,-0.2 0.722 98.7-141.1 -73.4 -25.7 45.5 27.8 47.7 22 22 A G T <5 + 0 0 64 -4,-1.1 -3,-0.1 -3,-0.5 -4,-0.1 0.601 50.4 141.7 73.2 13.4 49.1 28.7 48.3 23 23 A L < - 0 0 40 -5,-0.8 -1,-0.3 1,-0.1 2,-0.2 -0.502 61.2 -94.2 -79.9 156.5 48.6 29.1 52.1 24 24 A P + 0 0 114 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.524 54.6 167.7 -72.3 137.7 51.4 27.9 54.4 25 25 A Y - 0 0 43 -2,-0.2 2,-0.3 -3,-0.0 -23,-0.2 -0.989 28.4-145.1-150.9 155.6 50.9 24.4 55.8 26 26 A E E -a 2 0A 128 -25,-2.3 -23,-2.7 -2,-0.3 2,-0.4 -0.833 19.8-140.4-114.8 153.5 52.7 21.6 57.6 27 27 A L E -a 3 0A 49 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.927 10.7-167.0-117.6 145.3 52.1 17.8 57.0 28 28 A E E -a 4 0A 56 -25,-2.7 -23,-2.3 -2,-0.4 2,-0.4 -0.935 14.7-143.8-134.2 114.9 51.9 14.9 59.4 29 29 A A E -a 5 0A 43 -2,-0.4 2,-0.4 -25,-0.2 9,-0.4 -0.578 17.4-153.9 -80.5 130.9 52.1 11.3 58.3 30 30 A V - 0 0 10 -25,-2.5 2,-0.9 -2,-0.4 7,-0.2 -0.866 14.1-140.5-106.9 135.5 49.9 9.0 60.3 31 31 A D B >> -D 36 0B 83 5,-2.7 5,-2.1 -2,-0.4 4,-0.7 -0.854 20.0-172.8 -88.2 105.5 50.4 5.2 60.7 32 32 A L T 45S+ 0 0 45 -2,-0.9 -1,-0.1 3,-0.2 5,-0.0 0.674 77.3 61.9 -79.8 -19.6 46.8 4.0 60.5 33 33 A K T 45S+ 0 0 202 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.978 120.1 24.2 -63.9 -58.6 47.6 0.5 61.5 34 34 A A T 45S- 0 0 48 2,-0.1 -2,-0.2 3,-0.0 -1,-0.2 0.497 104.7-127.9 -83.8 -5.4 48.9 1.5 64.9 35 35 A K T <5 + 0 0 59 -4,-0.7 8,-2.0 1,-0.2 9,-0.6 0.956 62.7 138.1 51.2 55.4 46.8 4.7 64.9 36 36 A K B < -DE 31 42B 103 -5,-2.1 -5,-2.7 6,-0.2 6,-0.2 -0.948 54.2-126.5-129.9 146.8 49.9 6.7 65.8 37 37 A T > - 0 0 16 4,-1.9 3,-1.5 -2,-0.3 -7,-0.1 -0.343 45.6 -94.8 -77.8 174.1 51.5 10.0 64.7 38 38 A A T 3 S+ 0 0 79 -9,-0.4 -8,-0.1 1,-0.3 -1,-0.1 0.780 125.8 56.6 -71.8 -26.5 55.1 10.0 63.5 39 39 A D T 3 S- 0 0 139 1,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.589 124.1-102.7 -76.5 -10.3 56.4 10.9 67.0 40 40 A G S < S+ 0 0 46 -3,-1.5 -2,-0.1 1,-0.3 3,-0.1 0.402 76.5 138.2 104.4 1.9 54.6 7.7 68.4 41 41 A G - 0 0 28 1,-0.1 -4,-1.9 -5,-0.1 2,-0.7 -0.156 64.3 -81.4 -73.9 171.6 51.7 9.5 70.0 42 42 A D B > -E 36 0B 96 -6,-0.2 3,-1.5 1,-0.2 4,-0.5 -0.636 29.6-162.8 -82.9 110.3 48.1 8.6 69.9 43 43 A Y G >> S+ 0 0 0 -8,-2.0 4,-2.6 -2,-0.7 3,-1.1 0.770 87.1 71.3 -62.8 -26.4 46.3 9.6 66.7 44 44 A F G 34 S+ 0 0 86 -9,-0.6 -1,-0.3 1,-0.3 6,-0.1 0.778 90.2 60.3 -60.7 -24.3 43.0 9.1 68.4 45 45 A A G <4 S+ 0 0 88 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.753 110.7 41.6 -70.8 -27.2 43.8 12.3 70.5 46 46 A V T <4 S+ 0 0 27 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.1 0.928 138.4 7.6 -79.7 -58.5 43.9 14.1 67.1 47 47 A N >< - 0 0 4 -4,-2.6 3,-2.1 1,-0.1 -1,-0.3 -0.925 63.0-163.9-125.7 103.1 40.9 12.5 65.5 48 48 A P T 3 S+ 0 0 81 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.720 92.4 62.7 -57.6 -21.6 38.8 10.2 67.9 49 49 A R T 3 S- 0 0 155 2,-0.1 -5,-0.1 -5,-0.0 15,-0.0 0.585 107.1-131.5 -74.7 -15.0 37.1 8.7 64.7 50 50 A G < + 0 0 1 -3,-2.1 2,-0.2 1,-0.2 -6,-0.1 0.518 61.0 121.7 84.3 6.4 40.6 7.4 63.8 51 51 A A - 0 0 44 2,-0.1 -1,-0.2 -7,-0.1 -2,-0.1 -0.651 54.8 -99.7-106.5 156.2 40.6 8.6 60.1 52 52 A V S S+ 0 0 18 -2,-0.2 -42,-0.2 12,-0.1 -47,-0.1 -0.825 83.3 61.0-100.3 151.4 42.6 10.9 57.9 53 53 A P + 0 0 8 0, 0.0 12,-0.6 0, 0.0 2,-0.3 0.563 57.7 157.8 -78.1 161.2 42.4 13.6 56.9 54 54 A A E -BC 4 64A 0 -50,-1.1 -50,-3.0 10,-0.1 2,-0.5 -0.968 24.1-153.1-135.6 146.4 42.4 15.9 60.0 55 55 A L E -BC 3 63A 0 8,-2.6 8,-2.7 -2,-0.3 2,-0.8 -0.954 5.0-154.2-121.2 113.4 43.3 19.5 59.8 56 56 A E E -BC 2 62A 39 -54,-3.0 -54,-2.3 -2,-0.5 6,-0.3 -0.783 11.6-176.2 -83.1 110.5 44.8 21.4 62.8 57 57 A V E S- 0 0 27 4,-2.4 -1,-0.2 -2,-0.8 5,-0.1 0.896 71.6 -25.7 -75.2 -42.0 43.7 25.0 62.1 58 58 A K E > S- C 0 61A 129 3,-1.0 3,-2.8 -3,-0.2 -1,-0.4 -0.940 98.9 -54.2-159.1 164.9 45.6 26.2 65.2 59 59 A P T 3 S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.155 127.9 14.8 -49.1 125.4 46.6 24.5 68.5 60 60 A G T 3 S+ 0 0 79 1,-0.1 2,-0.5 -3,-0.0 -4,-0.0 0.321 108.2 92.1 92.9 -6.7 43.5 23.1 70.1 61 61 A T E < +C 58 0A 54 -3,-2.8 -4,-2.4 2,-0.0 -3,-1.0 -0.922 46.3 166.8-125.1 102.8 41.3 23.3 67.0 62 62 A V E -C 56 0A 50 -2,-0.5 2,-0.4 -6,-0.3 -6,-0.2 -0.978 18.5-156.4-118.3 125.8 41.2 20.2 64.8 63 63 A I E -C 55 0A 51 -8,-2.7 -8,-2.6 -2,-0.5 2,-0.3 -0.853 11.4-170.2-100.2 133.9 38.6 19.8 62.0 64 64 A T E +C 54 0A 23 -2,-0.4 4,-0.2 -10,-0.2 -10,-0.1 -0.744 44.2 64.8-117.4 169.5 37.7 16.4 60.8 65 65 A Q S > S- 0 0 129 -12,-0.6 4,-2.4 -2,-0.3 3,-0.5 0.694 73.8-117.1 82.9 120.3 35.6 15.2 57.8 66 66 A N H > S+ 0 0 12 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.867 111.6 55.5 -54.7 -43.5 36.8 15.9 54.3 67 67 A A H > S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 112.8 43.3 -58.0 -42.3 33.8 18.1 53.3 68 68 A A H > S+ 0 0 44 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.876 116.3 46.4 -66.5 -45.6 34.5 20.4 56.3 69 69 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.942 112.0 50.6 -65.4 -46.5 38.2 20.5 55.8 70 70 A L H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.882 114.8 43.5 -60.9 -37.7 37.9 21.1 52.0 71 71 A Q H X S+ 0 0 18 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.802 110.0 55.2 -81.1 -29.4 35.5 24.0 52.5 72 72 A Y H X S+ 0 0 67 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.953 111.0 45.8 -64.8 -48.5 37.5 25.5 55.4 73 73 A I H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.938 114.2 49.1 -58.1 -45.2 40.6 25.7 53.2 74 74 A G H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 5,-0.2 0.902 109.0 51.0 -62.7 -41.8 38.6 27.1 50.4 75 75 A D H 3< S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.750 112.0 48.7 -69.3 -24.4 36.9 29.8 52.5 76 76 A H T 3< S+ 0 0 105 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.299 102.1 82.7 -98.9 10.5 40.4 30.9 53.8 77 77 A S S < S- 0 0 2 -3,-1.3 -55,-0.1 -4,-0.2 -56,-0.1 -0.485 80.6-126.2 -98.7 175.4 41.9 31.0 50.3 78 78 A D S S+ 0 0 148 -57,-0.3 2,-0.9 -2,-0.2 -3,-0.1 0.275 76.1 111.9 -99.7 5.9 41.8 33.7 47.7 79 79 A V > - 0 0 50 -5,-0.2 3,-1.5 1,-0.2 4,-0.4 -0.734 55.4-158.9 -88.6 106.6 40.4 31.3 45.0 80 80 A A G > S+ 0 0 76 -2,-0.9 3,-1.8 1,-0.3 -1,-0.2 0.842 88.4 57.1 -54.5 -41.9 36.9 32.4 44.3 81 81 A A G 3 S+ 0 0 25 1,-0.3 -1,-0.3 2,-0.1 72,-0.1 0.777 102.9 55.9 -61.0 -28.0 35.8 29.1 42.9 82 82 A F G < S+ 0 0 2 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.583 113.4 41.3 -78.0 -12.3 36.7 27.4 46.1 83 83 A K < + 0 0 80 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 -0.400 69.5 172.9-140.9 61.6 34.5 29.7 48.1 84 84 A P - 0 0 21 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.313 50.5 -82.2 -62.3 154.3 31.1 30.4 46.6 85 85 A A > - 0 0 71 1,-0.1 3,-2.5 2,-0.1 6,-0.5 -0.345 48.8-107.6 -59.9 128.7 28.6 32.4 48.7 86 86 A Y T 3 S+ 0 0 129 1,-0.3 3,-0.1 5,-0.1 -1,-0.1 -0.303 109.6 25.9 -49.7 132.0 26.7 30.3 51.2 87 87 A G T 3 S+ 0 0 81 1,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.130 94.2 120.7 88.4 -23.1 23.2 30.0 50.0 88 88 A S S <> S- 0 0 30 -3,-2.5 4,-1.6 1,-0.1 -1,-0.4 -0.392 77.2-118.5 -64.0 152.2 24.2 30.5 46.4 89 89 A I H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 116.1 61.6 -59.4 -34.3 23.3 27.7 44.0 90 90 A E H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 102.4 49.3 -59.7 -38.5 27.0 27.3 43.4 91 91 A R H > S+ 0 0 4 -6,-0.5 4,-2.4 -3,-0.3 -1,-0.2 0.911 110.6 50.4 -67.2 -41.9 27.7 26.6 47.1 92 92 A A H X S+ 0 0 53 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.901 110.6 49.6 -61.6 -39.5 24.9 23.9 47.0 93 93 A R H X S+ 0 0 128 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.897 109.9 51.7 -68.0 -40.0 26.5 22.4 43.9 94 94 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.946 114.1 42.6 -58.8 -47.1 29.9 22.3 45.6 95 95 A Q H X S+ 0 0 85 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.852 111.9 54.7 -70.4 -33.0 28.4 20.6 48.7 96 96 A E H X S+ 0 0 104 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.930 109.6 46.4 -67.8 -45.3 26.4 18.2 46.6 97 97 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.910 113.0 50.0 -64.2 -40.3 29.5 17.1 44.7 98 98 A L H X S+ 0 0 3 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.894 109.9 51.2 -64.7 -38.3 31.4 16.7 48.0 99 99 A G H X S+ 0 0 36 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.902 110.3 48.8 -63.2 -42.4 28.6 14.7 49.4 100 100 A F H X S+ 0 0 21 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.887 105.0 58.9 -66.1 -36.6 28.6 12.4 46.3 101 101 A C H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.886 102.7 53.7 -56.7 -39.0 32.4 12.1 46.7 102 102 A S H X S+ 0 0 62 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.882 109.2 48.4 -62.5 -37.8 31.8 10.6 50.2 103 103 A D H X S+ 0 0 68 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.917 113.1 46.8 -67.2 -45.0 29.4 8.1 48.6 104 104 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.906 112.3 51.0 -62.8 -45.6 32.0 7.2 45.9 105 105 A H H X S+ 0 0 43 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.920 107.1 54.0 -55.8 -47.3 34.7 6.9 48.6 106 106 A A H X S+ 0 0 63 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.844 106.4 51.3 -61.6 -37.0 32.5 4.6 50.6 107 107 A A H >< S+ 0 0 4 -4,-1.7 3,-0.6 1,-0.2 4,-0.4 0.943 113.2 45.5 -63.3 -47.3 32.0 2.2 47.7 108 108 A F H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 4,-0.5 0.837 100.3 68.1 -64.2 -35.0 35.8 2.1 47.1 109 109 A S H >< S+ 0 0 55 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.795 89.2 65.7 -57.0 -33.9 36.6 1.6 50.8 110 110 A G G X< S+ 0 0 23 -4,-0.8 3,-0.9 -3,-0.6 -1,-0.3 0.767 92.1 62.8 -58.3 -29.9 35.1 -1.9 50.8 111 111 A L G < S+ 0 0 14 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.758 104.0 46.0 -67.7 -29.6 37.8 -3.1 48.4 112 112 A F G < S+ 0 0 106 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.238 82.2 122.1-101.1 10.1 40.6 -2.5 50.9 113 113 A A X - 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