==== 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 07-APR-04 1VF1 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR S.C.LIN,Y.C.LO,M.F.TAM,Y.C.LIAW . 226 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.0 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 . 1 0.4 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 46.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 0 0 0 1 0 1 1 2 2 0 0 0 1 1 0 1 0 0 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 . 0 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 3 A A 0 0 146 0, 0.0 58,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 149.5 -3.7 16.1 15.4 2 4 A K - 0 0 108 1,-0.1 26,-0.2 56,-0.1 55,-0.1 -0.212 360.0 -97.0 -60.6 148.1 -1.1 13.6 16.6 3 5 A P - 0 0 7 0, 0.0 26,-2.8 0, 0.0 2,-0.5 -0.372 35.1-145.0 -65.7 146.1 0.2 11.1 14.1 4 6 A V E -aB 29 57A 17 53,-1.8 53,-2.4 24,-0.2 2,-0.6 -0.969 6.6-152.7-119.0 120.9 -1.5 7.7 14.2 5 7 A L E -aB 30 56A 1 24,-2.9 26,-2.7 -2,-0.5 2,-0.7 -0.828 4.5-161.0 -97.9 115.5 0.6 4.6 13.6 6 8 A Y E +aB 31 55A 32 49,-2.9 49,-1.2 -2,-0.6 2,-0.3 -0.847 43.5 98.3 -97.3 116.1 -1.2 1.5 12.2 7 9 A Y E S-a 32 0A 19 24,-1.9 26,-1.9 -2,-0.7 2,-0.1 -0.952 72.8 -60.2-171.9-174.1 0.7 -1.7 12.6 8 10 A F - 0 0 6 -2,-0.3 2,-2.4 24,-0.3 26,-0.1 -0.421 59.2 -96.7 -81.3 162.2 1.1 -4.8 14.8 9 11 A N S S+ 0 0 72 24,-0.4 2,-0.3 -2,-0.1 -1,-0.1 -0.503 99.8 58.6 -79.6 73.8 1.9 -4.5 18.5 10 12 A G S S- 0 0 4 -2,-2.4 4,-0.2 1,-0.2 195,-0.1 -0.970 95.3 -79.1-178.7-179.8 5.6 -5.0 17.8 11 13 A R >> + 0 0 16 193,-0.6 4,-1.5 -2,-0.3 3,-1.1 0.997 67.7 125.1 -64.5 -77.4 8.7 -3.8 16.0 12 14 A G T 34 S- 0 0 20 1,-0.2 3,-0.3 2,-0.2 4,-0.3 -0.132 93.0 -31.8 50.9-142.4 8.6 -4.9 12.4 13 15 A K T 34 S+ 0 0 87 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.545 135.9 65.5 -85.2 -8.4 8.9 -2.1 9.8 14 16 A M T X> S+ 0 0 0 -3,-1.1 4,-2.1 1,-0.2 3,-0.7 0.713 78.9 80.6 -87.4 -20.0 7.2 0.4 12.1 15 17 A E H 3X S+ 0 0 2 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.879 89.2 53.1 -55.2 -42.6 9.9 0.5 14.8 16 18 A S H 3> S+ 0 0 16 -4,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.832 108.7 51.4 -63.4 -31.2 12.1 2.9 12.8 17 19 A I H <> S+ 0 0 0 -3,-0.7 4,-2.3 -4,-0.3 5,-0.2 0.897 108.2 50.7 -71.8 -40.5 9.2 5.2 12.5 18 20 A R H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.927 111.2 51.0 -61.7 -42.9 8.5 5.1 16.2 19 21 A W H X S+ 0 0 3 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.948 110.5 46.2 -58.6 -52.3 12.2 5.9 16.7 20 22 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.910 113.8 47.8 -61.3 -43.9 12.3 8.9 14.4 21 23 A L H <>S+ 0 0 0 -4,-2.3 5,-3.0 2,-0.2 4,-0.2 0.936 114.2 47.2 -62.9 -45.0 9.1 10.4 15.8 22 24 A A H ><5S+ 0 0 18 -4,-2.4 3,-1.6 -5,-0.2 -2,-0.2 0.916 110.5 52.2 -61.7 -44.0 10.3 9.9 19.4 23 25 A A H 3<5S+ 0 0 8 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.843 108.7 50.9 -61.6 -33.8 13.7 11.4 18.5 24 26 A A T 3<5S- 0 0 32 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.453 118.4-115.2 -83.2 -0.5 12.0 14.5 17.1 25 27 A G T < 5 + 0 0 46 -3,-1.6 2,-0.6 -4,-0.2 -3,-0.2 0.731 63.0 153.4 74.0 23.7 10.0 14.7 20.3 26 28 A V < - 0 0 19 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.766 39.3-140.0 -94.1 122.6 6.7 14.0 18.6 27 29 A E + 0 0 116 -2,-0.6 2,-0.3 -5,-0.0 -5,-0.0 -0.603 31.0 176.1 -77.3 133.4 3.9 12.5 20.6 28 30 A F - 0 0 12 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.867 24.5-134.4-136.4 169.1 2.0 9.9 18.6 29 31 A E E -a 4 0A 105 -26,-2.8 -24,-2.9 -2,-0.3 2,-0.4 -0.831 17.8-146.1-119.2 159.9 -0.8 7.3 18.9 30 32 A E E -a 5 0A 38 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.980 9.4-161.3-132.4 143.2 -0.9 3.7 17.8 31 33 A V E -a 6 0A 44 -26,-2.7 -24,-1.9 -2,-0.4 2,-0.4 -0.984 22.2-150.2-120.5 113.6 -3.7 1.4 16.4 32 34 A F E -a 7 0A 64 -2,-0.5 2,-0.8 -26,-0.2 -24,-0.3 -0.734 8.9-135.1 -91.5 132.2 -2.6 -2.2 16.7 33 35 A L + 0 0 1 -26,-1.9 -24,-0.4 -2,-0.4 184,-0.1 -0.751 40.3 153.4 -84.2 113.5 -3.9 -4.8 14.3 34 36 A E + 0 0 59 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.600 53.9 41.2-116.2 -18.6 -4.9 -7.8 16.4 35 37 A T S > S- 0 0 65 1,-0.1 4,-1.6 182,-0.1 -1,-0.2 -0.934 70.6-123.9-134.7 158.0 -7.6 -9.6 14.4 36 38 A R H > S+ 0 0 62 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.902 112.8 54.0 -62.0 -43.3 -8.3 -10.7 10.8 37 39 A E H > S+ 0 0 150 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.871 104.6 54.6 -60.6 -38.7 -11.7 -8.8 10.8 38 40 A Q H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.910 110.7 46.0 -61.9 -41.5 -10.0 -5.6 11.9 39 41 A Y H X S+ 0 0 25 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.897 110.1 53.1 -68.1 -41.7 -7.6 -5.9 8.9 40 42 A E H X S+ 0 0 92 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.886 106.7 52.9 -62.3 -37.8 -10.5 -6.7 6.6 41 43 A K H X S+ 0 0 166 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.895 108.6 50.9 -64.2 -38.1 -12.3 -3.6 7.8 42 44 A L H X>S+ 0 0 20 -4,-1.5 5,-0.9 2,-0.2 4,-0.8 0.927 109.2 50.1 -63.5 -45.8 -9.2 -1.6 7.0 43 45 A L H ><5S+ 0 0 57 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.896 109.9 51.0 -59.3 -41.9 -9.0 -3.0 3.5 44 46 A Q H 3<5S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.828 104.1 57.5 -66.4 -32.2 -12.6 -2.2 2.9 45 47 A S H 3<5S- 0 0 67 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.701 100.3-138.2 -71.9 -18.6 -12.2 1.4 4.0 46 48 A G T <<5 + 0 0 54 -4,-0.8 -3,-0.1 -3,-0.7 -2,-0.1 0.612 63.2 130.3 71.9 12.5 -9.5 1.8 1.3 47 49 A I < + 0 0 40 -5,-0.9 2,-0.8 1,-0.1 -4,-0.1 0.589 57.0 72.7 -75.2 -8.5 -7.2 3.7 3.7 48 50 A L S > S- 0 0 8 -6,-0.4 3,-2.1 1,-0.2 -1,-0.1 -0.883 72.5-158.3-107.5 101.0 -4.3 1.5 2.8 49 51 A M T 3 S+ 0 0 138 -2,-0.8 -1,-0.2 13,-0.3 14,-0.0 0.828 93.4 24.7 -46.4 -42.5 -3.2 2.5 -0.8 50 52 A F T 3 S- 0 0 98 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.041 114.3-105.3-114.2 25.1 -1.5 -0.8 -1.4 51 53 A Q S < S+ 0 0 133 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.642 87.8 104.6 63.7 17.4 -3.4 -3.0 1.1 52 54 A Q - 0 0 107 2,-0.1 -2,-0.3 -9,-0.0 -1,-0.2 -0.831 59.3-110.3-128.2 164.4 -0.4 -3.0 3.5 53 55 A V S S+ 0 0 22 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.821 74.5 88.0-120.4 162.4 0.9 -1.5 6.7 54 56 A P + 0 0 5 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.382 64.1 162.5 -55.8 145.3 2.9 0.4 8.0 55 57 A M E -BC 6 64A 0 -49,-1.2 -49,-2.9 9,-0.2 2,-0.4 -0.985 19.1-166.4-143.0 135.7 0.4 3.2 7.5 56 58 A V E -BC 5 63A 0 7,-2.6 7,-2.1 -2,-0.3 2,-0.8 -0.990 15.1-145.9-131.5 124.8 0.6 6.5 9.3 57 59 A E E +BC 4 62A 43 -53,-2.4 -53,-1.8 -2,-0.4 2,-0.4 -0.803 41.0 153.3 -87.1 111.1 -2.2 9.1 9.4 58 60 A I E > - C 0 61A 5 3,-1.8 3,-2.4 -2,-0.8 -56,-0.1 -0.987 57.9 -11.3-148.1 134.2 -0.3 12.4 9.5 59 61 A D T 3 S- 0 0 79 -58,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.861 128.3 -49.8 46.4 47.5 -1.1 15.9 8.4 60 62 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -59,-0.1 2,-0.2 0.315 115.3 114.2 80.2 -8.5 -4.2 14.8 6.5 61 63 A M E < -C 58 0A 67 -3,-2.4 -3,-1.8 2,-0.0 2,-0.7 -0.646 61.5-146.0 -98.3 153.7 -2.4 12.0 4.6 62 64 A K E -C 57 0A 101 -2,-0.2 2,-0.4 -5,-0.2 -13,-0.3 -0.803 37.4-166.9-111.9 79.6 -2.9 8.3 4.8 63 65 A L E +C 56 0A 35 -7,-2.1 -7,-2.6 -2,-0.7 2,-0.3 -0.601 13.8 174.7 -82.3 124.4 0.8 7.6 4.2 64 66 A V E +C 55 0A 14 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.770 41.3 70.8-120.0 169.4 2.0 4.1 3.3 65 67 A Q S >> S- 0 0 95 -11,-0.8 4,-2.0 -2,-0.3 3,-0.5 0.750 73.9-123.4 83.9 105.3 5.4 2.7 2.3 66 68 A T H 3> S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.863 108.2 47.5 -42.7 -52.6 7.9 2.8 5.2 67 69 A R H 3> S+ 0 0 83 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.862 108.9 54.1 -64.5 -35.7 10.5 4.9 3.5 68 70 A A H <> S+ 0 0 43 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.914 110.5 47.7 -63.6 -41.0 8.0 7.5 2.3 69 71 A I H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.936 114.7 44.8 -64.0 -48.8 6.8 7.9 5.9 70 72 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.919 110.6 54.0 -62.5 -45.4 10.3 8.2 7.3 71 73 A N H X S+ 0 0 40 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.907 110.8 48.0 -54.9 -43.6 11.4 10.6 4.5 72 74 A Y H X S+ 0 0 78 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.940 113.2 45.3 -64.3 -48.5 8.4 12.8 5.3 73 75 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.922 112.4 51.6 -62.5 -44.3 9.0 12.8 9.1 74 76 A A H <>S+ 0 0 0 -4,-3.0 5,-3.1 1,-0.2 6,-0.4 0.911 115.2 42.7 -59.9 -43.0 12.8 13.5 8.7 75 77 A G H ><5S+ 0 0 35 -4,-2.1 3,-1.4 -5,-0.3 -2,-0.2 0.930 112.4 52.0 -69.8 -46.1 12.1 16.4 6.4 76 78 A K H 3<5S+ 0 0 82 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.859 115.4 41.5 -59.6 -37.0 9.2 17.9 8.5 77 79 A Y T 3<5S- 0 0 64 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.083 113.7-111.1-102.7 25.1 11.3 17.9 11.6 78 80 A N T < 5S+ 0 0 108 -3,-1.4 -3,-0.2 1,-0.1 3,-0.2 0.844 82.5 121.3 51.6 45.0 14.6 19.1 10.1 79 81 A L < + 0 0 17 -5,-3.1 74,-3.1 -6,-0.2 75,-0.3 -0.015 53.8 82.2-119.8 24.9 16.5 15.9 10.5 80 82 A Y S S- 0 0 24 -6,-0.4 3,-0.2 1,-0.4 -1,-0.1 0.029 99.7-103.3-118.7 24.7 17.2 15.6 6.8 81 83 A G - 0 0 21 70,-0.2 -1,-0.4 -3,-0.2 3,-0.1 -0.194 35.7 -85.2 81.5-178.1 20.2 17.9 6.4 82 84 A K S S+ 0 0 125 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.500 97.3 12.5-109.8 -6.7 20.3 21.4 5.0 83 85 A D S > S- 0 0 87 -3,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.951 87.2 -82.0-157.4 177.2 20.5 20.7 1.2 84 86 A L H > S+ 0 0 145 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.858 122.7 49.1 -54.5 -43.3 20.3 18.2 -1.6 85 87 A K H > S+ 0 0 177 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 110.3 49.5 -69.0 -37.3 23.9 16.8 -1.0 86 88 A E H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.869 110.3 52.1 -69.4 -34.2 23.5 16.4 2.7 87 89 A R H X S+ 0 0 99 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.881 105.8 55.3 -66.8 -36.1 20.2 14.6 2.1 88 90 A A H X S+ 0 0 55 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.909 109.2 46.2 -62.1 -42.3 22.1 12.3 -0.4 89 91 A L H X S+ 0 0 69 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.926 113.2 49.5 -65.9 -44.0 24.6 11.4 2.3 90 92 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.920 112.2 48.2 -61.0 -43.2 21.8 10.8 4.8 91 93 A D H X S+ 0 0 38 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.879 111.1 50.5 -65.5 -37.6 20.0 8.6 2.3 92 94 A M H X S+ 0 0 118 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.930 114.0 44.3 -66.4 -43.2 23.1 6.6 1.6 93 95 A Y H X S+ 0 0 32 -4,-2.6 4,-1.8 1,-0.2 3,-0.4 0.935 113.5 50.3 -66.3 -45.1 23.8 6.0 5.2 94 96 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.872 104.4 59.4 -60.8 -37.3 20.1 5.2 6.0 95 97 A G H X S+ 0 0 22 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.888 105.3 49.9 -59.0 -38.8 20.1 2.7 3.1 96 98 A G H X S+ 0 0 14 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.2 0.931 114.3 41.3 -66.7 -46.1 22.9 0.8 4.8 97 99 A T H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.770 111.7 57.6 -74.1 -23.3 21.3 0.6 8.2 98 100 A D H X S+ 0 0 47 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.903 109.4 45.2 -71.3 -39.6 17.9 -0.2 6.5 99 101 A D H X S+ 0 0 91 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.942 113.8 50.1 -66.7 -46.4 19.5 -3.2 4.8 100 102 A L H >< S+ 0 0 1 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.939 116.6 38.6 -58.5 -51.9 21.2 -4.3 8.0 101 103 A M H >< S+ 0 0 14 -4,-2.6 3,-1.8 1,-0.2 4,-0.3 0.828 109.7 64.6 -69.5 -28.1 18.1 -4.1 10.1 102 104 A G H >< S+ 0 0 29 -4,-1.8 3,-1.3 1,-0.3 4,-0.4 0.835 91.0 63.6 -62.1 -31.9 16.2 -5.5 7.2 103 105 A F T << S+ 0 0 57 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.562 103.3 51.0 -68.9 -7.2 18.1 -8.7 7.5 104 106 A L T < S+ 0 0 8 -3,-1.8 3,-0.5 -4,-0.1 -1,-0.3 0.459 81.1 92.0-107.7 -4.0 16.5 -9.1 10.9 105 107 A L S < S+ 0 0 67 -3,-1.3 4,-0.1 -4,-0.3 -2,-0.1 0.859 91.4 42.8 -60.4 -36.1 12.9 -8.7 9.9 106 108 A S S > S+ 0 0 31 -4,-0.4 3,-2.4 1,-0.2 4,-0.5 0.678 86.9 101.3 -83.8 -16.8 12.3 -12.4 9.3 107 109 A F G > S+ 0 0 32 -3,-0.5 3,-1.6 1,-0.3 -1,-0.2 0.777 77.6 49.4 -37.7 -52.7 14.1 -13.4 12.5 108 110 A P G 3 S+ 0 0 15 0, 0.0 -1,-0.3 0, 0.0 103,-0.1 0.729 110.0 54.0 -66.4 -17.1 11.2 -14.1 14.8 109 111 A F G < S+ 0 0 28 -3,-2.4 115,-0.6 -4,-0.1 -2,-0.2 0.431 91.6 101.1 -93.1 -1.6 9.5 -16.2 12.1 110 112 A L S < S- 0 0 9 -3,-1.6 115,-0.1 -4,-0.5 -3,-0.0 -0.474 76.9-107.7 -86.9 156.5 12.6 -18.5 11.6 111 113 A S > - 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0 0 64 -7,-0.4 -3,-0.1 -5,-0.2 -191,-0.0 -0.420 59.4-129.3 -61.5 138.5 9.8 1.5 22.0 203 205 A K - 0 0 18 1,-0.1 3,-0.1 -193,-0.1 -1,-0.1 -0.644 15.5-120.3 -95.7 150.3 8.9 -2.1 21.2 204 206 A P - 0 0 96 0, 0.0 -193,-0.6 0, 0.0 -1,-0.1 -0.217 47.2 -66.6 -80.2 173.3 10.7 -5.2 22.5 205 207 A I - 0 0 83 1,-0.1 -41,-0.0 -195,-0.1 0, 0.0 -0.400 69.3 -99.9 -57.5 131.5 12.5 -7.9 20.5 206 208 A S - 0 0 30 -3,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.257 46.3-170.5 -60.3 140.6 9.7 -9.8 18.7 207 209 A D > - 0 0 91 -3,-0.1 4,-1.9 -98,-0.0 3,-0.3 -0.556 42.2 -82.0-121.7-174.5 8.5 -13.0 20.2 208 210 A D H > S+ 0 0 121 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.819 125.3 59.1 -61.3 -31.8 6.2 -16.0 19.2 209 211 A K H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 105.3 49.3 -63.0 -43.5 3.1 -14.0 20.2 210 212 A Y H > S+ 0 0 17 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.945 112.6 46.8 -59.7 -50.6 4.0 -11.3 17.7 211 213 A V H X S+ 0 0 4 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.918 110.6 52.8 -57.7 -46.6 4.5 -13.9 14.9 212 214 A E H X S+ 0 0 126 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.892 110.7 47.9 -57.2 -41.5 1.3 -15.6 15.9 213 215 A T H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.911 110.3 50.2 -68.6 -42.8 -0.6 -12.3 15.6 214 216 A V H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.937 113.4 46.7 -60.8 -45.7 0.9 -11.4 12.2 215 217 A R H X S+ 0 0 66 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.854 113.0 49.5 -65.1 -35.1 0.0 -14.8 10.8 216 218 A R H < S+ 0 0 90 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.896 117.0 40.3 -71.4 -40.5 -3.5 -14.6 12.3 217 219 A V H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.938 130.2 25.3 -74.0 -48.9 -4.2 -11.1 10.9 218 220 A L H < S- 0 0 22 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.607 88.1-139.1 -93.7 -14.5 -2.5 -11.5 7.4 219 221 A R S < S+ 0 0 144 -4,-1.5 2,-0.2 -5,-0.4 -4,-0.2 0.906 70.6 98.7 54.5 42.5 -2.8 -15.2 7.0 220 222 A M + 0 0 93 -6,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.810 42.6 58.2-143.4-177.4 0.7 -15.2 5.5 221 223 A Y + 0 0 109 -2,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.891 56.7 145.8 54.9 45.6 4.3 -15.8 6.5 222 224 A Y S S+ 0 0 142 1,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.677 72.1 29.1 -84.0 -19.8 3.6 -19.4 7.5 223 225 A D S S+ 0 0 116 2,-0.0 2,-0.4 -113,-0.0 -1,-0.3 -0.704 74.8 178.6-145.1 89.2 7.0 -20.6 6.3 224 226 A V - 0 0 33 -115,-0.6 -113,-0.3 -3,-0.3 0, 0.0 -0.743 10.5-157.3 -95.5 138.5 9.9 -18.2 6.4 225 227 A K 0 0 135 -2,-0.4 -116,-0.1 -115,-0.1 -115,-0.1 -0.788 360.0 360.0-112.7 156.1 13.4 -19.1 5.3 226 228 A P 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -111,-0.1 -0.163 360.0 360.0 -71.7 360.0 16.8 -17.5 6.3