==== 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 22-AUG-13 4MDC . COMPND 2 MOLECULE: PUTATIVE GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR I.G.SHABALIN,P.BACAL,D.R.COOPER,M.STEAD,M.AHMED,J.HAMMONDS,J . 930 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 5.2 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 36 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 370 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 4.3 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 4 8 4 0 4 4 0 9 4 0 3 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 8 0 8 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 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 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 0 A S 0 0 125 0, 0.0 56,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.4 -21.9 10.8 64.6 2 1 A X - 0 0 100 1,-0.1 26,-0.1 54,-0.1 24,-0.0 -0.229 360.0-105.3 -69.1 150.8 -19.4 8.1 64.2 3 2 A P - 0 0 19 0, 0.0 26,-2.7 0, 0.0 2,-0.3 -0.311 30.5-124.0 -71.8 171.1 -17.4 7.7 61.1 4 3 A T E -aB 29 55A 23 51,-2.8 51,-2.8 24,-0.2 2,-0.5 -0.864 12.1-156.9-118.9 139.0 -18.0 5.0 58.5 5 4 A L E -aB 30 54A 0 24,-2.5 26,-2.7 -2,-0.3 2,-0.4 -0.977 7.1-154.6-117.2 112.8 -15.6 2.4 57.1 6 5 A Y E +aB 31 53A 42 47,-2.8 47,-1.8 -2,-0.5 2,-0.3 -0.756 40.6 139.5 -82.4 127.9 -16.4 0.9 53.7 7 6 A H E -a 32 0A 9 24,-2.1 26,-2.8 -2,-0.4 3,-0.0 -0.910 48.6-126.5-155.9 174.7 -14.7 -2.4 53.7 8 7 A H > - 0 0 0 -2,-0.3 3,-2.0 24,-0.2 7,-0.2 -0.995 22.9-131.7-136.2 133.3 -14.9 -6.1 52.7 9 8 A P T 3 S+ 0 0 7 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.804 108.5 49.1 -46.9 -35.1 -14.3 -9.0 55.2 10 9 A X T 3 S+ 0 0 1 4,-0.0 3,-0.1 -3,-0.0 106,-0.1 0.222 87.4 101.4 -99.9 19.6 -11.8 -10.8 52.8 11 10 A S <> - 0 0 15 -3,-2.0 4,-2.4 1,-0.2 3,-0.3 -0.886 58.7-158.7 -98.7 110.0 -9.8 -7.6 52.1 12 11 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.903 94.0 55.0 -51.8 -42.1 -6.6 -7.6 54.1 13 12 A A H > S+ 0 0 17 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.865 108.2 49.2 -58.9 -41.4 -6.3 -3.8 53.8 14 13 A S H > S+ 0 0 0 -3,-0.3 4,-2.3 -6,-0.2 -1,-0.2 0.928 111.4 49.1 -63.5 -46.2 -9.8 -3.5 55.3 15 14 A R H X S+ 0 0 0 -4,-2.4 4,-2.4 -7,-0.2 -2,-0.2 0.886 107.0 56.1 -62.2 -39.0 -8.9 -5.8 58.2 16 15 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.926 108.7 45.9 -57.2 -45.4 -5.7 -3.9 58.9 17 16 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.921 109.6 54.8 -67.5 -39.9 -7.6 -0.6 59.3 18 17 A R H X S+ 0 0 16 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.899 107.9 51.2 -59.0 -41.8 -10.2 -2.3 61.5 19 18 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.910 109.5 47.9 -59.3 -45.7 -7.4 -3.5 63.7 20 19 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 6,-0.2 0.962 111.8 51.1 -64.1 -46.5 -5.9 0.0 64.0 21 20 A L H <>S+ 0 0 4 -4,-2.8 5,-2.8 1,-0.2 4,-0.3 0.909 113.4 44.2 -54.6 -45.6 -9.3 1.5 64.9 22 21 A S H ><5S+ 0 0 57 -4,-2.4 3,-1.2 3,-0.2 -1,-0.2 0.897 110.7 53.7 -67.3 -43.4 -10.0 -1.1 67.6 23 22 A E H 3<5S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.872 113.1 44.7 -57.1 -36.9 -6.5 -0.8 69.1 24 23 A Y T 3<5S- 0 0 15 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.369 118.0-111.7 -95.3 3.5 -6.9 3.0 69.4 25 24 A G T < 5 + 0 0 62 -3,-1.2 -3,-0.2 -4,-0.3 2,-0.2 0.683 59.8 155.3 83.6 18.0 -10.5 2.7 70.8 26 25 A Y < - 0 0 59 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.2 -0.503 37.5-139.8 -77.0 150.3 -12.5 4.2 67.9 27 26 A Q + 0 0 148 -2,-0.2 2,-0.3 2,-0.0 -5,-0.0 -0.962 30.1 179.5-106.3 130.8 -16.1 3.3 67.3 28 27 A T - 0 0 34 -2,-0.5 2,-0.6 -26,-0.1 -24,-0.2 -0.965 31.8-130.9-138.4 141.1 -16.9 2.8 63.6 29 28 A E E -a 4 0A 107 -26,-2.7 -24,-2.5 -2,-0.3 2,-0.4 -0.841 30.1-145.5 -87.8 122.6 -19.9 2.0 61.5 30 29 A L E -a 5 0A 78 -2,-0.6 2,-0.5 -26,-0.2 -24,-0.2 -0.756 15.6-172.7 -92.9 129.9 -18.8 -0.8 59.1 31 30 A S E -a 6 0A 38 -26,-2.7 -24,-2.1 -2,-0.4 2,-0.2 -0.950 19.1-137.4-124.2 112.8 -20.4 -0.8 55.6 32 31 A E E -a 7 0A 95 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.471 24.8-169.0 -75.3 133.0 -19.7 -3.8 53.4 33 32 A E - 0 0 4 -26,-2.8 3,-0.1 -2,-0.2 18,-0.0 -0.943 22.2-153.8-128.4 141.9 -18.8 -2.9 49.8 34 33 A Q > - 0 0 43 -2,-0.4 3,-1.9 1,-0.1 5,-0.4 -0.925 10.9-165.8-112.2 98.0 -18.5 -4.9 46.7 35 34 A P G > S+ 0 0 32 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.831 81.8 68.2 -58.6 -32.3 -16.1 -2.9 44.5 36 35 A W G 3 S+ 0 0 37 1,-0.3 13,-0.0 2,-0.1 -3,-0.0 0.654 87.7 68.5 -64.0 -17.2 -17.0 -5.0 41.3 37 36 A E G < S- 0 0 86 -3,-1.9 -1,-0.3 2,-0.0 3,-0.2 0.664 94.0-142.8 -70.6 -18.4 -20.4 -3.5 41.4 38 37 A N < - 0 0 111 -3,-2.3 2,-0.2 -4,-0.2 -2,-0.1 0.910 21.5-161.9 52.6 46.4 -19.0 -0.0 40.5 39 38 A R > - 0 0 89 -5,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.414 13.1-140.1 -59.4 122.4 -21.6 1.6 42.8 40 39 A R H > S+ 0 0 208 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.864 99.6 50.1 -57.1 -41.6 -21.7 5.2 41.7 41 40 A D H > S+ 0 0 115 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.896 111.9 49.5 -67.8 -35.3 -22.0 6.7 45.3 42 41 A F H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.939 110.6 49.6 -67.0 -43.7 -19.0 4.5 46.3 43 42 A L H < S+ 0 0 51 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.804 105.0 59.0 -66.2 -26.2 -16.9 5.7 43.3 44 43 A T H < S+ 0 0 114 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.895 110.6 42.2 -67.2 -39.1 -17.8 9.3 44.2 45 44 A L H < S+ 0 0 30 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.913 137.1 12.8 -68.7 -43.6 -16.2 8.8 47.5 46 45 A N >< - 0 0 2 -4,-2.6 3,-2.1 -5,-0.1 -1,-0.3 -0.834 63.1-170.2-140.0 94.8 -13.2 6.9 46.1 47 46 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.738 86.7 64.2 -65.7 -16.6 -12.8 7.1 42.3 48 47 A A T 3 S- 0 0 27 2,-0.1 -5,-0.1 1,-0.0 -2,-0.0 0.645 98.8-137.1 -74.3 -19.2 -10.1 4.4 42.4 49 48 A G < + 0 0 18 -3,-2.1 2,-0.2 1,-0.2 -11,-0.1 0.707 54.5 139.0 71.1 20.8 -12.7 1.8 43.7 50 49 A T - 0 0 72 2,-0.1 -1,-0.2 -15,-0.0 14,-0.1 -0.533 45.2 -81.0 -99.9 164.5 -10.3 0.5 46.3 51 50 A L S S+ 0 0 21 -2,-0.2 14,-0.5 12,-0.1 -44,-0.1 -0.883 84.8 28.8-126.1 155.3 -10.9 -0.6 50.0 52 51 A P - 0 0 0 0, 0.0 12,-2.5 0, 0.0 2,-0.4 0.668 58.2-175.6 -84.7 179.7 -11.2 0.4 52.7 53 52 A V E -BC 6 63A 0 -47,-1.8 -47,-2.8 10,-0.2 2,-0.5 -0.998 9.4-156.9-133.2 128.8 -12.5 4.0 52.8 54 53 A Y E +BC 5 62A 9 8,-2.5 8,-2.6 -2,-0.4 2,-0.5 -0.899 14.6 180.0-110.3 128.0 -12.9 6.0 56.0 55 54 A V E -BC 4 61A 9 -51,-2.8 -51,-2.8 -2,-0.5 6,-0.1 -0.964 6.1-175.8-134.7 120.2 -15.4 8.8 56.1 56 55 A D > - 0 0 40 4,-0.5 3,-2.5 -2,-0.5 4,-0.1 -0.365 53.0 -74.8 -93.6-176.7 -16.3 11.1 58.9 57 56 A D T 3 S+ 0 0 106 -56,-0.4 -55,-0.1 1,-0.3 -2,-0.0 0.730 124.7 68.3 -47.5 -31.8 -19.0 13.9 59.1 58 57 A S T 3 S- 0 0 48 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.608 102.5-130.7 -67.3 -14.8 -16.9 16.2 56.9 59 58 A X < + 0 0 129 -3,-2.5 2,-1.0 1,-0.2 -2,-0.1 0.646 59.7 142.5 66.5 18.2 -17.5 13.8 53.9 60 59 A R - 0 0 124 -4,-0.1 -4,-0.5 2,-0.0 2,-0.4 -0.782 44.8-144.4 -92.5 105.0 -13.8 13.8 53.2 61 60 A A E -C 55 0A 23 -2,-1.0 2,-0.6 -16,-0.2 -6,-0.2 -0.548 6.4-152.8 -75.3 125.5 -13.1 10.3 52.1 62 61 A L E -C 54 0A 3 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.7 -0.900 20.6-148.3 -99.9 117.8 -9.7 8.8 53.2 63 62 A C E -C 53 0A 4 -2,-0.6 4,-0.4 -10,-0.2 -10,-0.2 -0.828 44.4 -6.3-107.6 111.2 -8.9 6.2 50.6 64 63 A G S > S- 0 0 8 -12,-2.5 4,-2.3 -2,-0.7 5,-0.2 0.067 80.4 -77.5 99.6 161.4 -6.9 3.0 51.2 65 64 A A H > S+ 0 0 9 -14,-0.5 4,-2.5 1,-0.2 5,-0.2 0.853 123.6 50.9 -59.6 -46.3 -5.0 1.4 54.1 66 65 A T H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.978 113.1 43.4 -61.6 -47.4 -1.9 3.5 53.8 67 66 A I H > S+ 0 0 1 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.920 117.1 46.8 -67.3 -40.8 -3.6 6.9 53.8 68 67 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.930 111.9 50.0 -69.0 -45.2 -6.0 6.0 56.6 69 68 A S H X S+ 0 0 3 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.896 112.7 47.1 -62.4 -36.8 -3.2 4.5 58.7 70 69 A E H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.920 111.8 50.8 -67.8 -43.8 -1.1 7.6 58.3 71 70 A Y H X S+ 0 0 26 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.914 108.9 51.5 -59.3 -45.3 -4.1 9.9 59.1 72 71 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-1.0 0.851 109.8 49.7 -64.8 -33.1 -4.8 7.9 62.3 73 72 A D H <>S+ 0 0 2 -4,-1.7 5,-2.3 3,-0.2 3,-0.5 0.945 112.2 48.3 -66.1 -41.3 -1.2 8.3 63.4 74 73 A E H <5S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.757 121.4 33.6 -68.3 -30.7 -1.3 12.1 62.7 75 74 A T H <5S- 0 0 54 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.381 144.2 -1.0-109.4 -6.6 -4.6 12.6 64.6 76 75 A S T >X5S+ 0 0 21 -4,-1.0 3,-1.8 -3,-0.5 4,-0.6 0.294 116.4 70.6-146.9 -49.2 -4.3 10.0 67.4 77 76 A G G >4 S+ 0 0 211 -3,-0.3 3,-2.0 1,-0.3 -1,-0.2 -0.188 77.7 13.4 44.8-116.6 3.4 7.1 73.7 82 81 A D G 3 S+ 0 0 81 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.767 133.5 51.8 -56.7 -23.7 4.2 3.4 74.5 83 82 A R G < S+ 0 0 164 -3,-2.4 -1,-0.3 -4,-0.1 2,-0.2 0.212 76.4 127.3-100.2 5.3 1.1 2.3 72.5 84 83 A R < - 0 0 18 -3,-2.0 3,-0.1 1,-0.1 -6,-0.1 -0.554 47.5-156.8 -68.0 132.7 1.8 4.2 69.3 85 84 A L S S+ 0 0 2 -2,-0.2 85,-2.1 1,-0.2 2,-0.4 0.602 80.7 49.1 -94.5 -13.4 1.7 1.8 66.4 86 85 A L S S- 0 0 0 83,-0.2 -1,-0.2 84,-0.1 7,-0.1 -0.954 88.9-129.8-121.9 114.8 3.9 4.0 64.1 87 86 A A - 0 0 9 -2,-0.4 -2,-0.1 5,-0.2 -9,-0.0 0.266 6.6-128.8 -54.9 175.7 7.2 5.3 65.5 88 87 A E S S+ 0 0 143 5,-0.0 -1,-0.1 -10,-0.0 -10,-0.0 0.839 82.6 88.6 -90.6 -42.3 8.7 8.8 65.6 89 88 A D S > S- 0 0 82 1,-0.1 4,-2.8 2,-0.1 5,-0.2 -0.379 77.2-134.9 -62.7 131.5 12.2 8.0 64.2 90 89 A P H > S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.863 103.6 48.1 -59.0 -39.9 12.3 8.2 60.4 91 90 A F H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.886 113.4 47.1 -68.6 -37.2 14.2 5.0 59.9 92 91 A Q H > S+ 0 0 55 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.914 112.3 50.5 -68.2 -39.4 11.8 3.1 62.2 93 92 A R H X S+ 0 0 20 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.925 108.6 53.0 -59.5 -43.4 8.8 4.6 60.5 94 93 A A H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.888 109.6 48.5 -59.5 -40.3 10.3 3.5 57.2 95 94 A E H X S+ 0 0 43 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.888 110.1 50.3 -70.0 -39.9 10.7 -0.1 58.5 96 95 A I H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.963 114.0 45.7 -63.0 -42.5 7.1 -0.2 59.7 97 96 A R H X S+ 0 0 11 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.869 108.4 56.8 -64.6 -40.3 5.8 1.1 56.4 98 97 A R H X S+ 0 0 57 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.933 110.7 44.0 -59.2 -43.5 8.1 -1.4 54.5 99 98 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.877 111.2 53.3 -69.5 -38.9 6.5 -4.3 56.4 100 99 A T H X S+ 0 0 8 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.949 112.8 45.1 -59.1 -45.7 3.0 -2.9 55.9 101 100 A E H X>S+ 0 0 31 -4,-2.9 4,-2.0 2,-0.2 5,-1.9 0.854 107.7 59.2 -68.1 -34.6 3.6 -2.7 52.1 102 101 A W H <>S+ 0 0 29 -4,-2.1 5,-2.9 -5,-0.2 6,-0.4 0.960 116.5 31.7 -57.0 -51.9 5.2 -6.2 52.1 103 102 A F H <5S+ 0 0 1 -4,-2.1 -2,-0.2 3,-0.2 5,-0.2 0.885 126.5 39.4 -80.7 -34.0 2.0 -7.8 53.3 104 103 A L H <5S+ 0 0 20 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.2 0.577 132.8 18.5 -90.3 -14.4 -0.7 -5.5 51.9 105 104 A Q T X5S+ 0 0 72 -4,-2.0 4,-2.1 -5,-0.2 -3,-0.2 0.693 128.5 36.2-119.7 -54.6 0.9 -4.9 48.5 106 105 A K H >XS+ 0 0 4 -5,-2.9 4,-2.4 1,-0.2 5,-1.7 0.852 115.9 60.1 -65.7 -29.2 2.0 -10.7 49.2 108 107 A E H 4>S+ 0 0 29 -6,-0.4 5,-2.4 3,-0.2 -1,-0.2 0.933 111.2 38.2 -63.2 -44.8 -1.3 -9.3 48.2 109 108 A A H <5S+ 0 0 45 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.903 120.6 45.5 -72.2 -41.6 -0.4 -9.3 44.5 110 109 A D H <5S- 0 0 33 -4,-2.6 35,-0.2 -5,-0.2 -2,-0.2 0.805 138.3 -13.6 -68.8 -37.3 1.6 -12.5 44.6 111 110 A V T X5S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 -3,-0.2 0.628 120.6 53.5-131.3 -61.8 -1.0 -14.5 46.6 112 111 A T H > S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.893 116.0 49.1 -64.5 -31.9 -6.0 -13.5 43.2 115 114 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.940 112.7 46.4 -70.4 -45.6 -6.8 -16.2 45.6 116 115 A V H X>S+ 0 0 3 -4,-2.8 4,-3.2 2,-0.2 5,-1.9 0.915 111.7 53.7 -61.4 -40.7 -9.6 -14.2 47.3 117 116 A R H <>S+ 0 0 106 -4,-2.7 5,-2.3 -5,-0.3 -2,-0.2 0.945 113.9 40.5 -60.0 -49.2 -10.9 -13.3 43.9 118 117 A E H <5S+ 0 0 8 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.881 127.0 32.4 -66.0 -42.1 -11.1 -16.9 42.7 119 118 A R H <5S+ 0 0 73 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.760 135.1 12.8 -93.0 -26.3 -12.5 -18.3 45.9 120 119 A I T >X5S+ 0 0 1 -4,-3.2 4,-1.8 -5,-0.3 3,-1.4 0.784 123.8 44.8-116.4 -59.5 -14.6 -15.6 47.4 121 120 A F H 3>>> - 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