==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-FEB-10 3LQ7 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR Y.PATSKOVSKY,R.TORO,M.GILMORE,S.CHANG,J.M.SAUDER,S.K.BURLEY, . 602 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 46.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.5 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 0 6 7 1 1 1 0 5 0 0 0 0 0 1 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 3 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 . 1 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 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 15 A P 0 0 136 0, 0.0 53,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-138.1 -26.1 -37.0 -18.9 2 16 A N - 0 0 61 1,-0.0 53,-0.2 31,-0.0 33,-0.1 -0.827 360.0-114.9-106.2 136.1 -23.1 -36.9 -16.5 3 17 A P - 0 0 0 0, 0.0 33,-2.8 0, 0.0 2,-0.5 -0.291 22.1-153.6 -63.3 145.2 -19.5 -35.6 -17.3 4 18 A T E -aB 36 53A 31 49,-2.5 49,-2.1 31,-0.2 2,-0.3 -0.982 12.2-171.5-123.1 117.3 -16.6 -38.1 -17.2 5 19 A I E -aB 37 52A 0 31,-2.6 33,-2.1 -2,-0.5 2,-0.5 -0.764 14.9-135.7-106.0 155.5 -13.1 -36.7 -16.5 6 20 A T E +a 38 0A 2 45,-1.4 45,-0.4 -2,-0.3 2,-0.3 -0.950 23.7 174.0-115.8 125.9 -9.8 -38.5 -16.7 7 21 A V E -a 39 0A 4 31,-2.1 33,-1.8 -2,-0.5 2,-0.3 -0.774 38.8 -96.1-116.8 164.6 -7.1 -38.3 -14.1 8 22 A F E -a 40 0A 66 -2,-0.3 3,-0.2 31,-0.2 33,-0.1 -0.643 22.7-137.9 -78.8 141.4 -3.8 -40.2 -13.7 9 23 A E S S+ 0 0 50 31,-1.8 2,-0.4 -2,-0.3 194,-0.2 0.748 98.8 37.6 -70.4 -25.3 -3.9 -43.3 -11.4 10 24 A R S S- 0 0 161 30,-0.4 -1,-0.3 193,-0.1 190,-0.1 -0.938 85.6-149.1-129.7 108.5 -0.5 -42.2 -10.0 11 25 A S > - 0 0 26 -2,-0.4 3,-0.6 -3,-0.2 -2,-0.0 -0.568 11.9-144.4 -80.9 136.3 -0.0 -38.5 -9.5 12 26 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.744 104.1 59.0 -68.8 -24.3 3.5 -36.9 -9.9 13 27 A D T 3 S- 0 0 20 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.721 109.6-129.5 -72.3 -24.8 2.5 -34.4 -7.1 14 28 A G S < S- 0 0 29 -3,-0.6 183,-0.0 1,-0.1 -4,-0.0 0.950 70.7 -37.6 74.1 52.6 1.9 -37.5 -4.9 15 29 A G S S+ 0 0 7 181,-0.1 -1,-0.1 1,-0.0 182,-0.1 0.763 107.3 117.7 73.7 28.4 -1.6 -36.6 -3.6 16 30 A R S S- 0 0 105 180,-0.1 181,-0.1 181,-0.0 -2,-0.1 0.468 78.5-121.0-103.8 -3.9 -1.0 -32.9 -3.3 17 31 A G S S+ 0 0 4 179,-0.1 180,-0.0 176,-0.1 176,-0.0 0.918 73.0 126.0 67.3 47.7 -3.7 -31.8 -5.8 18 32 A L + 0 0 22 4,-0.1 145,-0.1 145,-0.0 -1,-0.0 0.532 37.7 101.3-114.5 -13.1 -1.3 -30.0 -8.1 19 33 A A S > S- 0 0 20 1,-0.1 3,-1.8 3,-0.0 -8,-0.0 -0.196 90.0 -98.9 -69.5 167.9 -2.0 -31.6 -11.4 20 34 A R T 3 S+ 0 0 83 1,-0.3 4,-0.5 29,-0.2 -1,-0.1 0.431 116.1 72.2 -75.6 2.9 -4.2 -30.0 -14.0 21 35 A D T 3> S+ 0 0 11 1,-0.1 4,-2.6 2,-0.1 -1,-0.3 0.640 79.5 77.5 -87.5 -16.7 -7.3 -32.0 -13.0 22 36 A M H <> S+ 0 0 2 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.912 92.6 47.6 -59.5 -46.3 -7.5 -30.0 -9.8 23 37 A P H > S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.883 114.1 49.1 -62.7 -35.8 -9.2 -26.9 -11.4 24 38 A V H > S+ 0 0 0 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.964 113.1 45.0 -63.5 -56.1 -11.6 -29.2 -13.2 25 39 A R H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.903 113.4 51.0 -52.2 -50.4 -12.6 -31.1 -10.1 26 40 A W H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.910 110.6 48.6 -55.5 -46.6 -12.9 -27.9 -8.1 27 41 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.909 111.3 49.3 -63.8 -44.5 -15.2 -26.3 -10.7 28 42 A L H X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-1.0 0.880 114.5 45.7 -59.8 -41.2 -17.4 -29.4 -10.9 29 43 A E H <5S+ 0 0 40 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.803 109.8 54.3 -69.9 -31.9 -17.7 -29.4 -7.1 30 44 A E H <5S+ 0 0 42 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.754 114.6 41.1 -73.7 -23.6 -18.3 -25.7 -7.0 31 45 A V H <5S- 0 0 28 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.578 110.0-123.7-102.0 -18.0 -21.2 -26.1 -9.4 32 46 A G T <5 + 0 0 55 -4,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.727 54.8 153.3 80.8 23.5 -22.5 -29.3 -7.7 33 47 A Q < - 0 0 37 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.775 42.6-132.4 -88.1 118.0 -22.3 -31.5 -10.8 34 48 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.502 33.7-173.0 -65.6 138.1 -21.9 -35.2 -10.1 35 49 A Y - 0 0 35 -2,-0.2 2,-0.3 -33,-0.1 -31,-0.2 -0.981 23.2-126.6-142.1 147.5 -19.1 -36.6 -12.3 36 50 A H E -a 4 0A 109 -33,-2.8 -31,-2.6 -2,-0.3 2,-0.4 -0.658 23.5-149.5 -93.9 149.7 -17.5 -39.9 -13.2 37 51 A V E -a 5 0A 52 -2,-0.3 2,-0.4 -33,-0.2 -31,-0.2 -0.971 8.8-167.2-125.1 131.2 -13.7 -40.5 -13.0 38 52 A R E -a 6 0A 121 -33,-2.1 -31,-2.1 -2,-0.4 2,-0.4 -0.978 15.9-139.6-116.9 133.3 -11.4 -42.7 -15.0 39 53 A R E -a 7 0A 118 -2,-0.4 2,-0.2 -33,-0.2 -31,-0.2 -0.752 24.9-162.1 -90.9 133.1 -7.9 -43.5 -14.0 40 54 A L E -a 8 0A 53 -33,-1.8 -31,-1.8 -2,-0.4 -30,-0.4 -0.730 13.3-166.9-117.1 161.0 -5.2 -43.6 -16.9 41 55 A S 0 0 76 -2,-0.2 -33,-0.0 -33,-0.1 -2,-0.0 -0.996 360.0 360.0-144.8 145.3 -1.7 -44.9 -17.6 42 56 A F 0 0 212 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.046 360.0 360.0-128.4 360.0 0.9 -44.3 -20.4 43 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 44 68 A Q > 0 0 73 0, 0.0 3,-0.9 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 108.8 -6.6 -35.1 -26.9 45 69 A P T 3 + 0 0 17 0, 0.0 294,-0.2 0, 0.0 293,-0.1 0.615 360.0 41.4 -66.4 -16.3 -4.0 -33.6 -29.4 46 70 A F T 3 S- 0 0 15 2,-0.1 3,-0.1 293,-0.0 289,-0.1 0.319 101.3-130.2-119.5 4.3 -1.4 -33.2 -26.6 47 71 A G < + 0 0 39 -3,-0.9 2,-0.0 1,-0.2 288,-0.0 0.614 63.1 126.2 63.0 19.1 -2.0 -36.5 -24.8 48 72 A Q - 0 0 52 2,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.111 54.0 -71.0 -91.1-173.1 -2.3 -34.9 -21.4 49 73 A I S S+ 0 0 15 1,-0.1 -29,-0.2 -3,-0.1 13,-0.2 -0.903 87.7 52.8-117.4 156.2 -4.9 -34.9 -18.6 50 74 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 11,-0.3 0.547 53.6 177.6 -94.4 152.0 -7.6 -33.9 -18.0 51 75 A S - 0 0 4 -45,-0.4 -45,-1.4 9,-0.1 2,-0.4 -0.802 15.9-151.6 -97.2 152.8 -10.0 -34.9 -20.7 52 76 A Y E -BC 5 59A 1 7,-2.1 7,-3.3 -2,-0.3 2,-0.4 -0.993 13.0-173.3-128.4 124.0 -13.6 -34.0 -20.3 53 77 A E E +BC 4 58A 68 -49,-2.1 -49,-2.5 -2,-0.4 2,-0.2 -0.972 17.3 160.5-124.6 127.8 -16.4 -36.1 -21.8 54 78 A Q E > S- C 0 57A 49 3,-2.3 3,-1.2 -2,-0.4 2,-0.6 -0.710 72.4 -55.0-144.0 90.8 -20.1 -35.4 -22.0 55 79 A G T 3 S- 0 0 58 -53,-0.2 -53,-0.0 1,-0.2 0, 0.0 -0.706 122.1 -15.5 78.7-118.8 -21.9 -37.4 -24.7 56 80 A D T 3 S+ 0 0 159 -2,-0.6 2,-0.4 -3,-0.1 -1,-0.2 0.600 115.4 101.9 -92.7 -15.0 -20.2 -36.8 -28.0 57 81 A L E < -C 54 0A 8 -3,-1.2 -3,-2.3 2,-0.0 2,-0.5 -0.585 49.2-176.0 -73.6 123.9 -18.4 -33.7 -26.7 58 82 A I E -C 53 0A 55 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.991 7.3-170.3-119.7 121.2 -14.7 -34.3 -25.9 59 83 A L E -C 52 0A 0 -7,-3.3 -7,-2.1 -2,-0.5 2,-0.3 -0.832 9.1-179.2-112.1 153.7 -12.8 -31.3 -24.3 60 84 A F + 0 0 4 -2,-0.3 4,-0.2 -9,-0.2 -9,-0.1 -0.837 46.1 63.1-137.8 175.1 -9.2 -30.7 -23.5 61 85 A E S > S- 0 0 13 -11,-0.3 4,-2.2 -2,-0.3 3,-0.3 0.793 71.2-122.5 65.6 118.3 -7.2 -27.8 -21.9 62 86 A S H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.819 111.2 56.9 -54.1 -39.2 -8.0 -27.0 -18.2 63 87 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 111.0 41.2 -57.2 -50.7 -8.9 -23.5 -19.2 64 88 A A H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.785 113.6 52.6 -72.5 -32.8 -11.6 -24.5 -21.7 65 89 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.952 111.6 45.9 -65.6 -51.0 -13.0 -27.3 -19.5 66 90 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.870 113.2 53.0 -59.5 -36.9 -13.4 -24.9 -16.6 67 91 A M H X S+ 0 0 7 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.934 108.4 47.4 -60.1 -52.3 -15.0 -22.5 -19.2 68 92 A H H X S+ 0 0 7 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.871 114.8 46.9 -59.8 -40.0 -17.5 -25.0 -20.5 69 93 A I H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 3,-0.2 0.905 111.3 53.0 -65.3 -41.6 -18.5 -25.9 -16.9 70 94 A A H < S+ 0 0 1 -4,-2.3 6,-0.4 1,-0.2 7,-0.3 0.709 112.3 42.0 -69.8 -24.6 -18.7 -22.3 -15.9 71 95 A Q H < S+ 0 0 63 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.610 111.4 52.9-102.4 -14.4 -21.1 -21.2 -18.7 72 96 A H S < S+ 0 0 81 -4,-1.1 2,-0.3 -3,-0.2 -2,-0.2 0.333 115.8 41.1 -97.5 2.5 -23.4 -24.3 -18.6 73 97 A H S S- 0 0 60 -4,-0.4 3,-0.4 -5,-0.1 4,-0.3 -0.968 83.7-106.5-143.6 163.1 -24.0 -23.8 -14.9 74 98 A S S S+ 0 0 106 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.503 86.5 44.4 -83.6 153.5 -24.6 -21.0 -12.3 75 99 A G S S+ 0 0 49 2,-0.4 -1,-0.2 -2,-0.2 -5,-0.1 0.059 96.2 66.1 111.1 -24.2 -22.0 -19.8 -9.8 76 100 A L S S+ 0 0 1 -3,-0.4 76,-2.5 -6,-0.4 77,-0.3 0.595 98.4 43.3-110.3 -16.1 -18.7 -19.4 -11.6 77 101 A L S S- 0 0 14 -7,-0.3 -2,-0.4 -4,-0.3 -1,-0.2 -0.996 81.8-114.8-130.5 140.6 -19.4 -16.6 -14.1 78 102 A P - 0 0 21 0, 0.0 6,-0.1 0, 0.0 9,-0.0 -0.349 16.7-133.6 -64.7 149.6 -21.3 -13.2 -13.6 79 103 A E S S+ 0 0 167 4,-0.1 2,-0.2 -2,-0.0 5,-0.0 0.893 84.8 84.6 -67.0 -45.9 -24.6 -12.6 -15.5 80 104 A D S > S- 0 0 60 1,-0.1 4,-2.4 4,-0.0 5,-0.1 -0.431 75.3-143.0 -65.1 131.8 -23.5 -9.1 -16.7 81 105 A Q H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.715 100.0 56.5 -73.1 -25.1 -21.5 -9.2 -19.9 82 106 A L H > S+ 0 0 73 2,-0.2 4,-1.0 1,-0.1 -1,-0.2 0.887 114.7 40.1 -66.6 -42.8 -19.2 -6.4 -18.8 83 107 A R H > S+ 0 0 123 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.847 114.5 53.3 -72.1 -37.9 -18.4 -8.4 -15.7 84 108 A R H X S+ 0 0 75 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.865 105.7 52.4 -69.2 -38.6 -18.2 -11.7 -17.6 85 109 A A H X S+ 0 0 4 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.837 108.9 50.7 -66.2 -35.6 -15.7 -10.5 -20.2 86 110 A R H X S+ 0 0 37 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.796 106.6 55.0 -71.9 -32.0 -13.4 -9.3 -17.4 87 111 A T H X S+ 0 0 2 -4,-1.3 4,-1.9 2,-0.2 3,-0.2 0.938 106.0 51.1 -63.0 -48.7 -13.6 -12.7 -15.8 88 112 A V H X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.850 105.8 57.8 -55.1 -38.4 -12.5 -14.4 -19.0 89 113 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.901 107.4 46.1 -59.3 -44.0 -9.6 -11.9 -19.0 90 114 A W H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.2 -2,-0.2 0.824 108.9 55.9 -69.1 -32.1 -8.5 -13.2 -15.6 91 115 A M H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.931 112.9 41.2 -64.1 -48.1 -8.9 -16.8 -16.8 92 116 A F H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.4 0.889 113.4 54.5 -63.7 -41.6 -6.5 -16.2 -19.7 93 117 A A H X>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-1.5 0.877 105.0 54.5 -60.3 -42.6 -4.2 -14.1 -17.4 94 118 A A H <>S+ 0 0 0 -4,-2.5 5,-2.0 3,-0.2 -1,-0.2 0.903 119.0 31.3 -53.5 -46.6 -3.9 -17.0 -14.9 95 119 A L H <5S+ 0 0 11 -4,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.757 128.8 31.3 -94.8 -31.1 -2.8 -19.5 -17.6 96 120 A N H <5S+ 0 0 21 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.551 130.8 27.0-106.4 -8.1 -0.8 -17.5 -20.2 97 121 A T T X5S+ 0 0 8 -4,-1.5 4,-0.6 -5,-0.4 -3,-0.2 0.728 128.9 28.8-116.9 -49.2 0.7 -14.7 -18.0 98 122 A I H > S+ 0 0 22 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.884 109.0 53.1 -61.9 -34.7 4.6 -19.6 -17.4 101 125 A S H X S+ 0 0 14 -4,-0.6 4,-1.2 -3,-0.3 28,-0.2 0.886 113.8 43.6 -61.4 -42.5 6.5 -17.3 -15.0 102 126 A I H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.935 112.4 51.5 -65.9 -50.7 5.9 -19.8 -12.2 103 127 A L H X S+ 0 0 55 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.839 107.4 52.3 -61.0 -38.4 6.7 -22.9 -14.3 104 128 A N H X S+ 0 0 35 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.872 115.7 41.4 -63.9 -40.2 10.1 -21.5 -15.6 105 129 A F H X S+ 0 0 0 -4,-1.2 4,-2.8 -3,-0.2 3,-0.3 0.930 114.5 49.0 -72.4 -48.8 11.2 -20.8 -12.0 106 130 A T H X S+ 0 0 13 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.789 106.2 56.6 -67.3 -31.5 9.9 -23.9 -10.4 107 131 A T H X>S+ 0 0 57 -4,-1.8 4,-1.5 -5,-0.2 5,-0.6 0.866 113.6 40.8 -67.3 -36.4 11.5 -26.2 -13.0 108 132 A V H X5S+ 0 0 3 -4,-0.9 4,-1.1 -3,-0.3 -2,-0.2 0.927 118.6 47.3 -71.9 -47.0 14.9 -24.7 -12.2 109 133 A W H <5S+ 0 0 76 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.835 123.9 29.4 -64.9 -38.8 14.2 -24.7 -8.5 110 134 A L H <5S+ 0 0 72 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.781 136.0 15.6 -93.9 -31.7 12.9 -28.3 -8.2 111 135 A F H <5S+ 0 0 162 -4,-1.5 3,-0.4 -5,-0.3 -3,-0.2 0.583 106.3 71.5-124.5 -16.1 14.6 -30.2 -11.0 112 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