==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JUN-13 4L5L . COMPND 2 MOLECULE: PUTATIVE GLUTATHIONE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLONORCHIS SINENSIS; . AUTHOR Y.J.CHUNG,Y.H.HAN . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.8 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 . 2 0.5 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 . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 45.4 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 0 2 0 0 2 0 5 1 2 0 0 0 2 0 0 0 0 0 0 2 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 M 0 0 223 0, 0.0 3,-0.1 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 111.3 -3.2 8.2 40.7 2 2 A A - 0 0 27 1,-0.2 26,-0.2 58,-0.1 59,-0.1 -0.386 360.0 -72.2 -82.0 165.1 -0.6 9.9 38.5 3 3 A P - 0 0 20 0, 0.0 26,-2.2 0, 0.0 2,-0.5 -0.236 56.7-130.4 -49.1 136.3 0.6 8.7 35.0 4 4 A V E -aB 29 59A 17 55,-3.4 55,-2.0 24,-0.2 2,-0.6 -0.885 16.6-161.9-105.1 131.0 2.7 5.6 35.4 5 5 A L E -aB 30 58A 0 24,-2.4 26,-2.4 -2,-0.5 2,-0.5 -0.961 15.2-162.2-103.7 121.5 6.1 4.9 33.9 6 6 A G E +aB 31 57A 0 51,-2.8 51,-2.0 -2,-0.6 2,-0.3 -0.914 27.7 124.1-113.5 126.7 7.0 1.3 33.9 7 7 A Y E -a 32 0A 17 24,-1.5 26,-2.5 -2,-0.5 -2,-0.0 -0.976 61.4 -73.2-163.2 164.7 10.6 -0.0 33.4 8 8 A W E -a 33 0A 68 -2,-0.3 2,-2.0 24,-0.2 26,-0.2 -0.246 58.1-101.2 -55.5 154.3 13.4 -2.1 34.9 9 9 A K S S+ 0 0 117 24,-2.5 2,-0.3 23,-0.1 -1,-0.1 -0.419 94.7 95.8 -79.5 59.0 15.1 -0.5 37.9 10 10 A I S S- 0 0 5 -2,-2.0 193,-0.2 1,-0.2 4,-0.1 -0.872 82.5-117.4-139.1 168.7 18.0 0.6 35.6 11 11 A R S >> S+ 0 0 3 191,-2.3 4,-2.0 -2,-0.3 3,-0.9 0.972 73.1 115.9 -74.2 -62.5 18.9 3.8 33.7 12 12 A G T 34 S- 0 0 9 191,-2.2 3,-0.4 190,-0.3 192,-0.1 0.095 91.5 -17.0 35.3-131.3 18.8 2.3 30.2 13 13 A L T 34 S+ 0 0 87 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.627 134.8 59.3 -80.3 -16.5 16.1 3.6 27.8 14 14 A A T X> S+ 0 0 0 -3,-0.9 4,-2.4 1,-0.2 3,-0.9 0.729 78.5 84.6 -87.8 -22.3 14.0 5.2 30.6 15 15 A Q H 3X S+ 0 0 0 -4,-2.0 4,-3.2 -3,-0.4 5,-0.2 0.895 90.2 49.9 -54.9 -43.4 16.5 7.6 32.1 16 16 A P H 3> S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.846 110.0 50.9 -62.3 -31.6 15.8 10.4 29.5 17 17 A I H <> S+ 0 0 1 -3,-0.9 4,-2.5 -4,-0.3 5,-0.2 0.937 112.2 47.6 -68.6 -44.7 12.0 10.1 30.1 18 18 A R H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.949 113.4 48.7 -60.7 -41.0 12.6 10.4 33.9 19 19 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.3 -1,-0.2 0.913 111.7 48.4 -68.8 -40.6 14.9 13.3 33.4 20 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.901 111.1 49.1 -62.4 -46.8 12.4 15.1 31.1 21 21 A L H X>S+ 0 0 2 -4,-2.5 5,-2.0 2,-0.2 4,-1.3 0.925 113.1 46.7 -62.6 -42.4 9.5 14.6 33.5 22 22 A E H <5S+ 0 0 22 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.932 112.0 53.8 -66.4 -40.2 11.5 16.0 36.5 23 23 A Y H <5S+ 0 0 64 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.947 114.7 37.4 -58.8 -52.1 12.6 18.9 34.3 24 24 A V H <5S- 0 0 33 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.642 109.5-127.4 -78.5 -9.8 9.1 19.9 33.3 25 25 A G T <5 + 0 0 51 -4,-1.3 -3,-0.2 -5,-0.2 2,-0.2 0.810 49.1 160.3 76.7 30.8 7.9 19.1 36.8 26 26 A D < - 0 0 65 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.541 44.0-106.0 -88.7 160.4 5.0 16.8 35.8 27 27 A S + 0 0 84 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.605 52.9 146.0 -82.1 134.7 3.4 14.3 38.1 28 28 A Y - 0 0 32 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.963 34.5-144.9-159.2 164.8 4.2 10.7 37.5 29 29 A E E -a 4 0A 71 -26,-2.2 -24,-2.4 -2,-0.3 2,-0.5 -0.921 20.7-136.4-128.0 143.8 4.7 7.4 39.6 30 30 A E E -a 5 0A 44 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.926 6.6-158.6-100.9 136.8 7.3 4.8 38.5 31 31 A H E -a 6 0A 68 -26,-2.4 -24,-1.5 -2,-0.5 2,-0.4 -0.964 26.9-165.8-106.7 109.1 6.4 1.1 38.6 32 32 A S E -a 7 0A 34 -2,-0.7 2,-0.7 -26,-0.2 -24,-0.2 -0.840 15.0-147.5-103.7 128.7 10.0 -0.3 38.7 33 33 A Y E -a 8 0A 0 -26,-2.5 -24,-2.5 -2,-0.4 5,-0.1 -0.879 17.3-151.1 -98.8 115.6 10.9 -3.9 38.1 34 34 A G > - 0 0 18 -2,-0.7 3,-2.0 -26,-0.2 -24,-0.1 -0.151 36.4 -89.2 -72.5 175.4 13.9 -5.1 40.1 35 35 A R T 3 S+ 0 0 121 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.767 129.7 43.7 -63.3 -31.2 16.2 -7.8 39.0 36 36 A C T 3 S+ 0 0 121 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.163 92.7 88.8 -95.3 18.2 14.2 -10.5 40.5 37 37 A D <> + 0 0 62 -3,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.133 45.5 117.1-106.6 23.7 10.8 -9.0 39.3 38 38 A G H > S+ 0 0 25 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.800 74.5 51.3 -58.7 -35.0 10.7 -10.8 35.9 39 39 A E H > S+ 0 0 153 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.956 106.0 53.8 -75.0 -45.4 7.5 -12.7 36.7 40 40 A K H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 110.2 48.2 -52.2 -44.2 5.7 -9.7 37.8 41 41 A W H X S+ 0 0 14 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.923 107.1 56.4 -63.7 -43.1 6.6 -8.1 34.4 42 42 A Q H X S+ 0 0 100 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.929 109.8 46.5 -53.4 -42.8 5.4 -11.2 32.6 43 43 A N H >X S+ 0 0 92 -4,-2.5 4,-2.1 1,-0.2 3,-0.7 0.958 115.7 43.1 -62.7 -58.6 2.0 -10.8 34.4 44 44 A D H 3X S+ 0 0 28 -4,-2.6 4,-2.8 1,-0.2 6,-0.3 0.816 108.8 59.0 -52.8 -35.2 1.7 -7.0 33.5 45 45 A K H 3< S+ 0 0 81 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.846 114.1 37.9 -69.2 -31.3 2.9 -7.6 30.1 46 46 A H H << S+ 0 0 157 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.746 128.2 31.3 -82.8 -30.9 -0.0 -9.9 29.6 47 47 A N H < S+ 0 0 104 -4,-2.1 -3,-0.2 1,-0.1 -2,-0.2 0.666 90.9 83.6-110.6 -16.3 -2.6 -8.0 31.6 48 48 A L S < S- 0 0 36 -4,-2.8 -1,-0.1 -5,-0.2 -3,-0.1 0.710 93.5-117.2 -67.4 -21.4 -2.0 -4.2 31.4 49 49 A G + 0 0 57 1,-0.2 2,-0.2 -5,-0.2 -1,-0.1 0.703 53.8 162.4 92.3 16.3 -3.8 -3.8 28.1 50 50 A L - 0 0 14 -6,-0.3 -1,-0.2 -5,-0.2 9,-0.0 -0.523 34.6-148.7 -70.3 135.3 -0.7 -2.6 26.2 51 51 A E S S+ 0 0 76 1,-0.3 -1,-0.1 -2,-0.2 303,-0.1 0.843 97.5 21.4 -74.8 -34.4 -1.3 -2.8 22.5 52 52 A L S S- 0 0 5 2,-0.1 -1,-0.3 302,-0.0 15,-0.1 -0.732 96.2-145.9-129.6 75.8 2.5 -3.5 21.7 53 53 A P + 0 0 26 0, 0.0 2,-0.3 0, 0.0 13,-0.1 -0.176 42.0 123.4 -52.1 135.8 3.6 -4.8 25.2 54 54 A N - 0 0 62 13,-0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.950 55.7 -69.3-176.0 169.5 7.2 -3.8 26.0 55 55 A L S S+ 0 0 15 -2,-0.3 -48,-0.2 11,-0.1 13,-0.1 -0.990 105.4 45.5-119.3 132.4 9.3 -2.0 28.6 56 56 A P S S+ 0 0 3 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.530 77.6 170.2 -77.2 160.6 9.2 0.9 29.0 57 57 A Y E -BC 6 66A 2 -51,-2.0 -51,-2.8 9,-0.2 2,-0.4 -0.916 20.1-154.4-128.1 161.7 5.5 1.6 29.1 58 58 A Y E -BC 5 65A 14 7,-2.5 7,-2.8 -2,-0.3 2,-0.4 -0.993 14.1-179.4-136.4 139.1 3.5 4.7 30.0 59 59 A K E +BC 4 64A 60 -55,-2.0 -55,-3.4 -2,-0.4 2,-0.4 -0.976 14.9 174.4-151.4 126.6 -0.1 4.5 31.2 60 60 A D E > S- C 0 63A 67 3,-2.9 3,-2.3 -2,-0.4 2,-0.3 -0.919 70.7 -62.9-136.8 98.2 -2.4 7.3 32.2 61 61 A G T 3 S- 0 0 55 -2,-0.4 -57,-0.0 1,-0.3 -59,-0.0 -0.415 121.8 -10.0 55.1-114.8 -5.9 5.9 32.8 62 62 A N T 3 S+ 0 0 177 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.516 119.7 89.6 -87.7 -16.9 -7.1 4.3 29.6 63 63 A F E < +C 60 0A 28 -3,-2.3 -3,-2.9 2,-0.0 2,-0.3 -0.754 55.5 169.3 -85.3 129.3 -4.3 5.9 27.5 64 64 A S E -C 59 0A 6 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.970 11.9-175.1-140.0 158.9 -1.1 3.7 27.2 65 65 A L E -C 58 0A 0 -7,-2.8 -7,-2.5 -2,-0.3 2,-0.3 -0.995 8.1-164.1-146.5 146.5 2.1 3.7 25.1 66 66 A T E +C 57 0A 1 -2,-0.3 -9,-0.2 -9,-0.2 249,-0.1 -0.797 51.4 71.0-119.8 176.7 5.1 1.6 24.6 67 67 A Q S >> S- 0 0 23 -11,-0.9 4,-2.6 -2,-0.3 3,-0.7 0.772 71.1-120.8 84.7 109.7 8.5 2.5 22.9 68 68 A S H 3> S+ 0 0 29 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.839 111.9 47.2 -40.6 -48.1 10.9 4.8 24.7 69 69 A L H 3> S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.850 110.8 51.2 -73.2 -33.1 11.0 7.4 21.9 70 70 A A H <> S+ 0 0 1 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.927 113.1 46.2 -65.1 -43.9 7.2 7.4 21.5 71 71 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.951 113.3 48.4 -68.7 -47.0 6.8 8.0 25.3 72 72 A L H X S+ 0 0 5 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.924 113.8 48.3 -51.8 -47.6 9.5 10.7 25.3 73 73 A R H X S+ 0 0 10 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.840 105.5 56.9 -66.3 -34.5 7.8 12.3 22.3 74 74 A Y H X S+ 0 0 19 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.964 114.3 39.2 -61.7 -46.7 4.4 12.2 23.9 75 75 A I H X S+ 0 0 3 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.929 115.7 51.8 -67.8 -40.9 5.7 14.2 26.9 76 76 A A H ><>S+ 0 0 0 -4,-3.0 5,-2.7 -5,-0.3 3,-0.8 0.933 109.0 51.9 -59.1 -43.3 7.8 16.4 24.6 77 77 A D H ><5S+ 0 0 17 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.909 101.8 58.6 -58.5 -44.5 4.7 17.1 22.5 78 78 A K H 3<5S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.745 112.3 44.2 -62.2 -20.1 2.6 18.1 25.6 79 79 A H T <<5S- 0 0 55 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.175 116.8-110.9-108.4 17.0 5.3 20.8 26.1 80 80 A N T < 5S+ 0 0 149 -3,-2.1 3,-0.3 1,-0.1 -3,-0.2 0.818 77.8 128.9 62.4 35.3 5.7 22.0 22.5 81 81 A M < + 0 0 24 -5,-2.7 -4,-0.2 1,-0.1 70,-0.2 0.304 49.5 76.7-101.3 8.7 9.1 20.5 22.1 82 82 A I S S- 0 0 9 1,-0.3 10,-0.2 -6,-0.3 11,-0.1 0.424 101.2-105.5-109.3 6.4 8.6 18.5 18.8 83 83 A G - 0 0 17 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.081 16.7-104.6 100.0 169.0 8.7 21.5 16.5 84 84 A N S S+ 0 0 134 -3,-0.1 -1,-0.1 -2,-0.0 3,-0.0 0.590 87.1 31.4-109.5 -26.1 6.4 23.7 14.5 85 85 A T S > S- 0 0 68 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.840 88.1 -97.1-129.5 170.0 6.6 23.0 10.7 86 86 A P H > S+ 0 0 32 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.862 123.6 51.6 -56.7 -40.3 7.3 19.8 8.8 87 87 A V H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.910 114.2 42.3 -60.5 -45.6 11.0 20.8 8.3 88 88 A E H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.921 112.1 52.5 -73.0 -43.4 11.4 21.4 12.1 89 89 A R H X S+ 0 0 57 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.925 112.7 47.6 -56.0 -41.6 9.5 18.4 13.1 90 90 A A H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.871 109.1 51.7 -66.4 -47.2 11.8 16.4 10.8 91 91 A K H X S+ 0 0 33 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.879 110.9 49.4 -52.9 -44.6 15.0 18.0 12.0 92 92 A I H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.878 109.8 50.7 -65.6 -38.2 14.0 17.1 15.6 93 93 A S H X S+ 0 0 9 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.870 109.6 52.0 -69.1 -37.9 13.2 13.5 14.6 94 94 A M H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.949 109.0 48.8 -56.7 -55.5 16.7 13.3 12.9 95 95 A I H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.940 110.7 52.4 -55.9 -43.3 18.4 14.5 16.1 96 96 A E H X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.930 108.8 49.5 -53.7 -51.5 16.4 11.9 18.0 97 97 A G H X S+ 0 0 10 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.880 109.8 49.9 -55.7 -47.5 17.5 9.1 15.7 98 98 A G H X S+ 0 0 8 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.861 111.6 49.5 -59.6 -36.6 21.1 10.1 16.0 99 99 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.886 107.2 53.8 -75.3 -39.6 20.8 10.2 19.8 100 100 A V H X S+ 0 0 66 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.925 112.3 46.5 -47.4 -55.0 19.2 6.8 19.9 101 101 A D H X S+ 0 0 79 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.853 108.7 55.3 -60.3 -37.4 22.2 5.5 17.8 102 102 A L H X S+ 0 0 9 -4,-1.9 4,-0.6 1,-0.2 3,-0.2 0.931 113.6 39.3 -67.2 -40.5 24.7 7.3 20.2 103 103 A R H >X S+ 0 0 21 -4,-2.2 4,-1.5 1,-0.2 3,-0.6 0.843 114.1 54.4 -73.0 -34.9 23.3 5.5 23.3 104 104 A A H 3X S+ 0 0 35 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.658 91.8 72.0 -77.7 -18.4 22.8 2.2 21.5 105 105 A G H 3X S+ 0 0 22 -4,-1.3 4,-0.6 -3,-0.2 -1,-0.2 0.888 104.7 41.8 -64.1 -34.3 26.5 2.1 20.4 106 106 A V H XX S+ 0 0 0 -3,-0.6 4,-1.6 -4,-0.6 3,-1.3 0.968 114.5 51.0 -71.6 -52.6 27.3 1.4 24.0 107 107 A S H 3X S+ 0 0 35 -4,-1.5 4,-0.8 1,-0.3 -2,-0.2 0.769 100.7 63.4 -51.9 -36.6 24.4 -1.0 24.4 108 108 A R H 3< S+ 0 0 117 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.804 117.5 25.2 -65.7 -32.0 25.3 -3.0 21.4 109 109 A I H X< S+ 0 0 24 -3,-1.3 3,-1.3 -4,-0.6 -1,-0.2 0.573 104.4 80.3-106.3 -12.0 28.7 -4.1 22.9 110 110 A A H 3< S+ 0 0 0 -4,-1.6 99,-2.4 1,-0.3 100,-1.4 0.786 91.2 50.4 -76.4 -25.0 27.9 -3.9 26.6 111 111 A Y T 3< S+ 0 0 97 -4,-0.8 2,-0.3 97,-0.3 -1,-0.3 0.481 90.7 101.7 -85.1 -2.0 26.1 -7.2 26.9 112 112 A Q S X S- 0 0 80 -3,-1.3 3,-1.5 1,-0.1 4,-0.1 -0.635 70.8-140.8 -90.8 143.9 28.9 -9.1 25.2 113 113 A E T 3 S+ 0 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