==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAR-11 2YCD . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR K.SKOPELITOU,P.DHAVALA,A.C.PAPAGEORGIOU,N.E.LABROU . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.8 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 0.5 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 0 0 0 0 1 3 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 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 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 14 A K 0 0 139 0, 0.0 2,-0.2 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 122.6 -11.8 14.1 6.1 2 15 A P - 0 0 78 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.490 360.0-113.4 -76.4 137.5 -13.2 17.4 4.9 3 16 A N - 0 0 58 -2,-0.2 63,-0.3 1,-0.1 33,-0.2 -0.328 39.4-109.9 -54.2 145.3 -10.8 20.2 3.8 4 17 A P - 0 0 0 0, 0.0 33,-2.2 0, 0.0 2,-0.4 -0.438 22.5-142.9 -79.8 158.3 -10.9 23.2 6.2 5 18 A T E -aB 37 64A 40 59,-2.4 59,-2.4 31,-0.2 2,-0.4 -0.987 14.8-164.5-120.8 129.6 -12.4 26.6 5.2 6 19 A I E -aB 38 63A 0 31,-2.6 33,-2.4 -2,-0.4 2,-0.3 -0.886 17.5-124.8-115.6 146.4 -10.9 29.8 6.4 7 20 A T E +a 39 0A 2 55,-1.8 2,-0.3 -2,-0.4 33,-0.2 -0.710 35.1 168.0 -90.0 143.9 -12.3 33.3 6.5 8 21 A V E -a 40 0A 2 31,-2.0 33,-2.6 -2,-0.3 2,-0.2 -0.912 41.6 -80.8-145.3 162.6 -10.4 36.1 4.7 9 22 A F E -a 41 0A 39 -2,-0.3 3,-0.5 31,-0.2 33,-0.2 -0.523 24.1-149.6 -66.2 136.0 -11.1 39.8 3.6 10 23 A E S S+ 0 0 66 31,-2.6 2,-0.4 1,-0.3 32,-0.2 0.913 101.2 20.9 -64.3 -44.8 -12.9 40.1 0.4 11 24 A R S S- 0 0 186 30,-0.5 -1,-0.3 -3,-0.1 200,-0.1 -0.774 92.1-151.9-125.9 86.3 -11.0 43.4 -0.1 12 25 A S > - 0 0 22 -3,-0.5 3,-0.9 -2,-0.4 4,-0.1 -0.283 13.2-140.8 -64.8 138.7 -7.9 43.2 2.1 13 26 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.414 89.5 82.8 -76.5 4.6 -6.5 46.5 3.3 14 27 A D T > S- 0 0 12 1,-0.0 3,-1.1 0, 0.0 -2,-0.1 0.401 99.8-120.5 -92.8 4.1 -2.9 45.2 2.8 15 28 A G T < - 0 0 45 -3,-0.9 -1,-0.0 1,-0.2 193,-0.0 0.683 69.1 -60.7 68.9 17.7 -2.7 46.0 -1.0 16 29 A G T 3 S+ 0 0 5 -4,-0.1 -1,-0.2 191,-0.0 192,-0.1 0.619 105.3 126.2 85.2 15.0 -2.2 42.3 -1.8 17 30 A R S < S- 0 0 111 -3,-1.1 -2,-0.1 190,-0.1 191,-0.1 0.396 74.8-119.8 -90.2 1.4 1.0 42.1 0.2 18 31 A G S S+ 0 0 2 186,-0.1 155,-0.1 1,-0.1 -3,-0.0 0.889 72.6 128.4 65.6 42.0 -0.0 39.1 2.3 19 32 A L + 0 0 30 4,-0.1 -1,-0.1 155,-0.0 155,-0.1 0.581 38.4 100.6-105.4 -12.8 0.2 40.9 5.6 20 33 A A S > S- 0 0 14 1,-0.1 3,-2.0 3,-0.0 -8,-0.0 -0.316 88.5-103.5 -71.2 162.1 -3.2 40.0 7.0 21 34 A R T 3> S+ 0 0 73 1,-0.3 4,-0.6 39,-0.3 -1,-0.1 0.494 112.8 73.5 -77.2 -2.1 -3.5 37.2 9.6 22 35 A D H 3> S+ 0 0 11 1,-0.2 4,-2.7 2,-0.1 -1,-0.3 0.767 83.6 75.8 -69.9 -24.1 -4.9 34.6 7.1 23 36 A M H <> S+ 0 0 1 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 0.917 92.0 46.4 -60.0 -48.1 -1.4 34.5 5.6 24 37 A P H > S+ 0 0 8 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.881 114.1 50.8 -63.4 -32.5 0.3 32.4 8.4 25 38 A V H X S+ 0 0 0 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.937 111.3 46.5 -65.9 -49.0 -2.7 30.0 8.3 26 39 A R H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.905 113.0 51.1 -56.3 -45.5 -2.5 29.6 4.5 27 40 A W H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.935 109.1 49.8 -62.4 -44.2 1.3 29.1 4.7 28 41 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.926 110.9 49.8 -59.2 -46.9 0.9 26.4 7.4 29 42 A L H X>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.8 0.912 111.9 48.4 -58.8 -42.2 -1.7 24.5 5.3 30 43 A E H <5S+ 0 0 41 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.878 107.3 55.4 -67.4 -35.2 0.6 24.7 2.2 31 44 A E H <5S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 114.1 40.2 -63.9 -36.7 3.6 23.4 4.3 32 45 A V H <5S- 0 0 27 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.525 112.8-118.5 -92.3 -4.4 1.7 20.3 5.3 33 46 A G T <5 + 0 0 57 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.835 58.4 153.0 74.0 33.5 0.0 19.8 1.9 34 47 A Q < - 0 0 33 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.854 40.6-135.6 -97.8 112.2 -3.6 20.3 3.1 35 48 A P + 0 0 76 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.326 33.9 176.8 -59.3 145.4 -6.0 21.6 0.4 36 49 A Y - 0 0 34 -33,-0.2 2,-0.3 -31,-0.0 -31,-0.2 -0.919 22.4-137.0-147.5 172.6 -8.3 24.3 1.8 37 50 A H E -a 5 0A 96 -33,-2.2 -31,-2.6 -2,-0.3 2,-0.3 -0.873 14.0-139.8-130.5 159.9 -11.0 26.7 0.9 38 51 A V E -a 6 0A 53 -2,-0.3 2,-0.5 -33,-0.2 -31,-0.2 -0.928 4.8-154.5-124.6 151.3 -11.8 30.3 1.7 39 52 A R E -a 7 0A 81 -33,-2.4 -31,-2.0 -2,-0.3 2,-0.4 -0.985 22.6-144.0-119.0 114.9 -14.8 32.4 2.5 40 53 A R E -a 8 0A 125 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.658 14.9-160.9 -84.4 130.4 -14.4 36.0 1.6 41 54 A L E -a 9 0A 13 -33,-2.6 -31,-2.6 -2,-0.4 -30,-0.5 -0.934 10.9-139.1-116.1 130.6 -16.0 38.5 3.9 42 55 A S > - 0 0 36 -2,-0.5 4,-2.1 -33,-0.2 5,-0.2 -0.389 35.1-106.9 -71.5 160.7 -16.9 42.1 3.2 43 56 A F H > S+ 0 0 94 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.879 124.1 49.9 -58.4 -35.9 -16.2 44.6 6.0 44 57 A E H >4 S+ 0 0 122 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.895 107.9 52.2 -68.6 -41.9 -19.9 44.8 6.5 45 58 A A H >4 S+ 0 0 30 1,-0.2 3,-1.1 2,-0.2 6,-0.4 0.853 102.0 60.4 -62.6 -34.6 -20.3 41.0 6.7 46 59 A M H 3< S+ 0 0 17 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.730 104.7 49.9 -66.8 -20.9 -17.6 40.8 9.3 47 60 A K T << S+ 0 0 167 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.510 87.6 107.8 -95.5 -8.4 -19.6 42.9 11.6 48 61 A E S X> S- 0 0 113 -3,-1.1 3,-1.2 -4,-0.5 4,-0.8 -0.365 80.9-117.5 -71.0 151.9 -22.8 40.9 11.3 49 62 A A T 34 S+ 0 0 81 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.767 111.4 66.2 -60.8 -25.6 -24.0 38.8 14.2 50 63 A S T >4 S+ 0 0 85 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.847 96.2 54.5 -64.4 -36.0 -23.7 35.7 11.9 51 64 A H G X> S+ 0 0 4 -3,-1.2 3,-2.2 -6,-0.4 4,-2.2 0.808 93.4 70.7 -70.8 -26.8 -19.9 36.1 11.8 52 65 A L G 3< S+ 0 0 81 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.737 85.2 68.2 -62.3 -22.7 -19.6 36.1 15.6 53 66 A A G <4 S+ 0 0 74 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.599 113.0 31.5 -69.0 -10.6 -20.5 32.4 15.6 54 67 A Y T <4 S+ 0 0 54 -3,-2.2 9,-0.2 1,-0.3 -2,-0.2 0.699 136.2 18.3-113.4 -37.4 -17.1 31.9 14.0 55 68 A Q >< - 0 0 7 -4,-2.2 3,-2.1 7,-0.1 -1,-0.3 -0.916 66.0-155.6-142.8 106.3 -15.0 34.7 15.4 56 69 A P T 3 S+ 0 0 67 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.587 94.1 50.2 -66.6 -11.1 -16.3 36.3 18.6 57 70 A F T 3 S- 0 0 141 2,-0.1 3,-0.1 -6,-0.1 -5,-0.1 0.211 113.4-113.1-109.6 11.5 -14.5 39.6 18.1 58 71 A G S < S+ 0 0 18 -3,-2.1 2,-0.2 1,-0.2 -6,-0.1 0.793 76.5 119.6 66.0 32.2 -15.6 40.0 14.5 59 72 A Q - 0 0 122 -8,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.681 55.3 -77.8-119.7 172.5 -12.2 39.5 13.0 60 73 A I S S+ 0 0 15 -2,-0.2 -39,-0.3 1,-0.1 13,-0.1 -0.878 81.0 49.8-116.0 156.0 -10.4 37.2 10.5 61 74 A P + 0 0 4 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.495 52.8 159.6 -94.8 155.8 -9.2 34.5 10.3 62 75 A S E - C 0 71A 2 9,-0.2 -55,-1.8 -55,-0.2 2,-0.4 -0.846 25.8-143.5-117.8 169.6 -11.5 31.7 11.5 63 76 A Y E -BC 6 70A 2 7,-2.5 7,-2.8 -2,-0.3 2,-0.4 -0.999 12.6-171.5-138.8 127.4 -11.1 28.0 10.6 64 77 A E E +BC 5 69A 62 -59,-2.4 -59,-2.4 -2,-0.4 2,-0.3 -0.990 13.4 161.0-128.0 129.7 -14.0 25.5 10.0 65 78 A Q E > - C 0 68A 43 3,-2.7 3,-2.2 -2,-0.4 2,-0.1 -0.857 68.1 -54.5-149.3 105.7 -13.6 21.8 9.5 66 79 A G T 3 S- 0 0 47 -2,-0.3 -1,-0.1 -63,-0.3 -63,-0.0 -0.420 123.7 -14.8 56.5-128.6 -16.6 19.6 10.1 67 80 A D T 3 S+ 0 0 174 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.588 117.6 99.3 -79.7 -12.9 -17.8 20.3 13.6 68 81 A L E < +C 65 0A 61 -3,-2.2 -3,-2.7 2,-0.0 2,-0.4 -0.662 45.7 177.6 -84.0 124.5 -14.6 22.2 14.6 69 82 A I E +C 64 0A 68 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.998 10.3 176.0-121.7 126.9 -14.6 25.9 14.5 70 83 A L E -C 63 0A 38 -7,-2.8 -7,-2.5 -2,-0.4 2,-0.3 -0.905 11.2-172.1-124.5 156.4 -11.4 27.7 15.6 71 84 A F E +C 62 0A 66 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.851 45.9 74.8-136.9 177.5 -10.2 31.2 15.8 72 85 A E > - 0 0 101 -11,-0.7 4,-2.5 -2,-0.3 3,-0.4 0.789 66.3-128.6 79.1 107.2 -6.8 32.9 16.6 73 86 A S H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 110.2 52.6 -48.3 -40.9 -4.2 32.7 13.9 74 87 A G H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 112.3 43.9 -63.9 -41.3 -1.7 31.3 16.4 75 88 A A H > S+ 0 0 47 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.797 111.9 53.2 -74.5 -30.5 -4.1 28.6 17.6 76 89 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.943 110.7 46.6 -69.2 -47.8 -5.1 27.7 14.0 77 90 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.935 111.5 53.4 -57.2 -42.7 -1.4 27.2 13.1 78 91 A M H X S+ 0 0 39 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.928 108.8 48.4 -57.3 -48.4 -1.0 25.2 16.3 79 92 A H H X S+ 0 0 46 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.915 112.3 47.7 -60.0 -45.8 -3.9 22.9 15.4 80 93 A I H >X S+ 0 0 1 -4,-2.4 4,-0.7 1,-0.2 3,-0.6 0.929 113.7 48.8 -58.8 -46.0 -2.6 22.3 11.8 81 94 A A H 3< S+ 0 0 1 -4,-2.7 6,-0.3 1,-0.2 7,-0.3 0.744 108.3 54.2 -67.7 -26.6 0.9 21.7 13.2 82 95 A Q H 3< S+ 0 0 82 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.734 113.9 39.3 -80.5 -23.0 -0.3 19.2 15.8 83 96 A H H << S+ 0 0 131 -4,-1.1 2,-0.3 -3,-0.6 -2,-0.2 0.359 115.4 47.5-115.4 5.0 -2.2 17.0 13.4 84 97 A H S < S- 0 0 64 -4,-0.7 2,-0.3 -3,-0.1 3,-0.3 -0.808 83.2-109.3-128.9 174.4 0.2 16.9 10.4 85 98 A S S S+ 0 0 98 -2,-0.3 -3,-0.1 -53,-0.2 -2,-0.1 -0.809 85.5 47.7-105.5 151.3 4.0 16.4 10.1 86 99 A G S S+ 0 0 52 2,-0.5 -1,-0.1 -2,-0.3 -5,-0.1 0.377 95.0 67.1 109.7 -3.8 6.6 19.0 9.3 87 100 A L S S+ 0 0 2 -6,-0.3 76,-2.8 1,-0.3 77,-0.3 0.531 100.3 37.7-122.8 -15.1 5.8 21.9 11.5 88 101 A L S S- 0 0 11 -7,-0.3 -2,-0.5 74,-0.2 -1,-0.3 -0.998 83.3-119.8-134.9 136.0 6.5 20.6 15.1 89 102 A P - 0 0 15 0, 0.0 9,-0.1 0, 0.0 6,-0.0 -0.375 14.2-132.1 -73.3 158.0 9.3 18.3 16.0 90 103 A E S S+ 0 0 134 4,-0.1 2,-0.1 -2,-0.1 5,-0.0 0.869 81.1 93.6 -75.2 -38.9 8.6 14.9 17.6 91 104 A D S > S- 0 0 78 1,-0.1 4,-2.5 4,-0.1 5,-0.2 -0.370 75.9-137.8 -60.4 129.7 11.1 15.3 20.4 92 105 A Q H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.834 99.1 49.3 -63.5 -37.1 9.2 16.6 23.4 93 106 A L H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.951 113.9 45.3 -66.4 -49.3 11.9 19.1 24.5 94 107 A R H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.883 112.0 53.5 -61.8 -38.4 12.4 20.6 21.1 95 108 A R H X S+ 0 0 36 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.921 106.4 51.4 -64.0 -42.7 8.6 20.7 20.7 96 109 A A H X S+ 0 0 64 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.884 111.1 48.4 -62.4 -39.5 8.2 22.7 23.9 97 110 A R H X S+ 0 0 112 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.854 107.7 55.1 -69.2 -33.4 10.8 25.2 22.8 98 111 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.933 107.9 49.5 -62.6 -44.3 9.1 25.5 19.4 99 112 A V H X S+ 0 0 34 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.901 105.7 57.5 -62.8 -40.3 5.8 26.4 21.2 100 113 A A H X S+ 0 0 57 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.936 108.0 47.0 -51.5 -46.8 7.8 29.0 23.3 101 114 A W H X S+ 0 0 48 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.833 106.7 57.3 -70.9 -29.8 8.9 30.7 20.0 102 115 A M H X S+ 0 0 5 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.952 112.0 42.4 -59.9 -48.9 5.3 30.6 18.6 103 116 A F H X S+ 0 0 127 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.885 111.7 55.1 -64.0 -38.7 4.2 32.6 21.7 104 117 A A H X>S+ 0 0 22 -4,-2.5 5,-2.7 -5,-0.2 4,-1.9 0.901 104.0 54.5 -62.9 -41.2 7.2 34.9 21.5 105 118 A A H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 -1,-0.2 0.922 121.3 30.0 -54.1 -46.4 6.4 35.8 17.9 106 119 A L H <5S+ 0 0 41 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.748 129.9 33.6 -90.4 -23.6 2.9 36.9 19.0 107 120 A N H <5S+ 0 0 121 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.447 130.6 21.7-118.4 -6.7 3.3 38.1 22.6 108 121 A T T X5S+ 0 0 70 -4,-1.9 4,-1.0 -5,-0.3 -3,-0.2 0.585 130.5 31.3-121.6 -54.5 6.8 39.6 22.7 109 122 A I H > S+ 0 0 46 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.902 109.5 51.4 -59.4 -36.2 3.4 43.9 20.3 112 125 A S H X S+ 0 0 8 -4,-1.0 4,-1.1 -3,-0.3 -2,-0.2 0.882 114.4 44.0 -63.6 -39.1 6.7 45.8 19.9 113 126 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.945 115.1 46.5 -70.3 -47.4 6.1 46.0 16.1 114 127 A L H X S+ 0 0 32 -4,-3.1 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