==== 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 25-FEB-10 3LXT . COMPND 2 MOLECULE: GLUTATHIONE S TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 823 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 3.9 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 30 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 400 48.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 4 1 0 3 0 0 4 0 4 4 0 0 4 0 0 0 0 0 0 0 4 0 0 0 0 4 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 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 2 A S 0 0 83 0, 0.0 26,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 64.1 57.8 8.7 -4.1 2 3 A L E -a 27 0A 6 24,-0.5 26,-2.8 51,-0.0 2,-0.4 -0.321 360.0-160.5 -61.2 142.6 57.5 6.8 -0.8 3 4 A K E -aB 28 54A 66 51,-1.8 51,-2.6 24,-0.2 2,-0.6 -0.987 9.6-158.0-133.8 124.3 58.0 8.9 2.3 4 5 A L E -aB 29 53A 0 24,-3.1 26,-3.1 -2,-0.4 2,-0.6 -0.897 12.6-161.0-101.3 120.4 58.9 7.7 5.7 5 6 A I E +aB 30 52A 0 47,-3.3 47,-2.0 -2,-0.6 2,-0.2 -0.909 44.8 60.4-106.6 123.1 58.0 10.2 8.5 6 7 A G S S- 0 0 0 24,-2.6 2,-0.4 -2,-0.6 27,-0.2 -0.732 79.9 -71.9 146.2 165.3 59.6 9.8 11.9 7 8 A M > - 0 0 60 25,-0.3 3,-1.6 -2,-0.2 6,-0.3 -0.716 31.0-137.0 -90.7 137.0 62.8 9.8 13.8 8 9 A L T 3 S+ 0 0 29 -2,-0.4 6,-0.2 1,-0.3 -1,-0.1 0.538 97.5 77.9 -69.8 -6.6 65.2 6.9 13.5 9 10 A D T 3 S+ 0 0 73 195,-0.1 -1,-0.3 4,-0.1 194,-0.1 0.515 79.0 85.2 -80.8 -1.8 65.8 6.9 17.2 10 11 A S S <> S- 0 0 27 -3,-1.6 4,-2.7 1,-0.1 5,-0.2 -0.860 78.6-144.1 -95.0 130.6 62.4 5.1 17.4 11 12 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.878 100.4 54.8 -63.5 -34.7 62.8 1.4 16.9 12 13 A Y H > S+ 0 0 58 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.912 111.4 43.5 -64.2 -42.9 59.5 1.2 15.0 13 14 A V H > S+ 0 0 0 -6,-0.3 4,-2.1 1,-0.2 3,-0.2 0.935 114.8 50.4 -67.6 -45.9 60.7 3.9 12.5 14 15 A R H X S+ 0 0 8 -4,-2.7 4,-2.6 -7,-0.3 5,-0.3 0.889 105.7 54.1 -61.8 -41.2 64.1 2.4 12.2 15 16 A R H X S+ 0 0 6 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.865 110.2 48.6 -64.2 -31.0 62.9 -1.1 11.5 16 17 A V H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.2 -1,-0.2 0.914 110.9 50.3 -73.5 -40.4 60.8 0.3 8.6 17 18 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.938 113.6 44.0 -60.4 -50.4 63.7 2.2 7.2 18 19 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.854 113.5 51.7 -66.1 -33.5 66.1 -0.8 7.2 19 20 A S H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.914 107.6 53.0 -68.6 -40.9 63.3 -3.0 5.8 20 21 A L H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.9 0.942 114.0 42.3 -57.2 -50.0 62.7 -0.5 3.0 21 22 A K H <5S+ 0 0 80 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.891 114.2 50.1 -66.5 -39.9 66.4 -0.5 2.1 22 23 A S H <5S+ 0 0 40 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.831 110.1 52.2 -67.5 -30.2 66.7 -4.3 2.5 23 24 A L H <5S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.672 114.8-118.1 -78.2 -17.6 63.6 -4.7 0.2 24 25 A G T <5 + 0 0 60 -4,-0.9 -3,-0.2 -3,-0.5 -2,-0.1 0.838 64.5 142.8 83.4 34.7 65.2 -2.5 -2.4 25 26 A L < - 0 0 25 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.936 45.0-135.7-113.5 117.0 62.6 0.3 -2.3 26 27 A P + 0 0 112 0, 0.0 -24,-0.5 0, 0.0 2,-0.3 -0.370 35.0 162.0 -69.3 147.7 63.7 3.9 -2.7 27 28 A F E -a 2 0A 51 -26,-0.1 2,-0.4 -2,-0.1 -24,-0.2 -0.987 39.0-114.5-160.5 165.4 62.2 6.5 -0.4 28 29 A E E -a 3 0A 92 -26,-2.8 -24,-3.1 -2,-0.3 2,-0.6 -0.900 27.9-147.2-106.0 135.1 62.4 9.9 1.2 29 30 A H E -a 4 0A 74 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.919 10.1-168.9-109.7 121.7 63.0 10.2 4.9 30 31 A H E -a 5 0A 62 -26,-3.1 -24,-2.6 -2,-0.6 2,-1.6 -0.906 13.5-149.8-110.5 104.1 61.5 13.1 6.8 31 32 A S + 0 0 77 -2,-0.7 2,-0.4 -26,-0.2 -24,-0.2 -0.572 36.3 152.7 -76.8 88.7 62.9 13.2 10.3 32 33 A L - 0 0 24 -2,-1.6 -25,-0.3 8,-0.0 2,-0.3 -0.979 35.6-139.4-122.0 133.5 60.0 14.7 12.3 33 34 A S > - 0 0 19 -2,-0.4 4,-1.1 -27,-0.2 8,-0.3 -0.680 9.6-141.0 -91.5 143.0 59.4 14.1 16.0 34 35 A V T 4 S+ 0 0 18 -2,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.430 104.0 38.9 -80.2 1.0 55.9 13.5 17.3 35 36 A F T >4 S+ 0 0 91 2,-0.1 3,-0.6 3,-0.0 -1,-0.1 0.762 121.5 33.4-115.1 -51.3 57.0 15.6 20.3 36 37 A S T 34 S+ 0 0 95 1,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.700 131.5 32.2 -83.6 -20.7 59.1 18.5 19.1 37 38 A T T 3X S+ 0 0 28 -4,-1.1 4,-2.3 1,-0.1 -1,-0.2 -0.345 73.2 148.5-131.8 53.7 57.3 19.0 15.8 38 39 A F H <> S+ 0 0 63 -3,-0.6 4,-3.2 1,-0.2 5,-0.2 0.883 72.2 45.8 -53.5 -50.9 53.8 18.0 16.7 39 40 A E H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 111.5 49.9 -65.9 -44.5 52.0 20.3 14.3 40 41 A Q H 4 S+ 0 0 119 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.932 115.4 46.2 -59.2 -41.8 54.2 19.5 11.3 41 42 A F H >X S+ 0 0 0 -4,-2.3 3,-2.6 -8,-0.3 4,-2.5 0.976 110.7 51.0 -64.2 -53.4 53.6 15.8 12.0 42 43 A K H 3< S+ 0 0 73 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.827 101.3 63.7 -51.9 -35.9 49.8 16.2 12.5 43 44 A A T 3< S+ 0 0 87 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.692 112.6 35.5 -63.6 -18.6 49.7 18.1 9.2 44 45 A I T <4 S+ 0 0 55 -3,-2.6 -2,-0.2 -4,-0.5 -1,-0.2 0.809 141.6 6.5 -99.7 -43.2 50.8 14.8 7.5 45 46 A N >< - 0 0 0 -4,-2.5 3,-2.0 -5,-0.1 -1,-0.3 -0.887 64.3-156.9-144.2 105.2 49.0 12.4 9.8 46 47 A P T 3 S+ 0 0 35 0, 0.0 710,-0.2 0, 0.0 -4,-0.1 0.651 92.6 64.6 -59.0 -17.2 46.6 13.8 12.4 47 48 A V T 3 S- 0 0 0 709,-0.2 710,-0.1 -6,-0.1 -5,-0.1 0.724 98.5-143.1 -77.4 -18.2 46.8 10.7 14.6 48 49 A V < + 0 0 3 -3,-2.0 2,-0.4 1,-0.2 -6,-0.1 0.976 42.0 151.7 52.3 68.0 50.5 11.7 15.1 49 50 A K - 0 0 40 -4,-0.1 -1,-0.2 -8,-0.1 -2,-0.1 -0.996 39.2-113.4-129.2 129.5 52.0 8.2 15.1 50 51 A A S S+ 0 0 24 -2,-0.4 14,-0.1 1,-0.1 -44,-0.1 -0.914 92.0 42.7-111.6 138.9 55.6 7.4 14.0 51 52 A P S S+ 0 0 3 0, 0.0 12,-0.6 0, 0.0 2,-0.4 0.495 73.6 173.7 -78.5 151.4 56.5 5.8 11.7 52 53 A T E -BC 5 62A 0 -47,-2.0 -47,-3.3 10,-0.2 2,-0.5 -0.975 16.1-154.4-121.5 136.1 54.0 7.1 9.1 53 54 A L E -BC 4 61A 0 8,-2.9 8,-3.0 -2,-0.4 2,-0.6 -0.962 1.7-160.0-114.3 127.4 54.4 6.1 5.5 54 55 A V E -BC 3 60A 18 -51,-2.6 -51,-1.8 -2,-0.5 6,-0.2 -0.941 18.9-146.8-106.4 116.4 53.1 8.3 2.7 55 56 A C > - 0 0 3 4,-2.7 3,-2.1 -2,-0.6 -53,-0.0 -0.229 30.4 -93.8 -77.0 170.2 52.6 6.3 -0.5 56 57 A E T 3 S+ 0 0 132 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.892 127.9 47.2 -50.4 -47.3 53.0 7.5 -4.0 57 58 A G T 3 S- 0 0 63 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.476 125.3-102.2 -76.1 -1.5 49.4 8.4 -4.4 58 59 A G < + 0 0 42 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.447 68.1 153.5 96.5 0.6 49.4 10.1 -1.0 59 60 A E - 0 0 78 -5,-0.1 -4,-2.7 1,-0.1 2,-0.5 -0.465 38.0-137.6 -65.9 129.8 47.8 7.4 1.0 60 61 A V E -C 54 0A 20 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.799 22.9-175.4 -97.7 126.9 48.9 7.6 4.7 61 62 A L E -C 53 0A 1 -8,-3.0 -8,-2.9 -2,-0.5 2,-0.3 -0.903 3.2-175.6-120.7 147.4 49.8 4.4 6.6 62 63 A M E +C 52 0A 3 -2,-0.3 -10,-0.2 652,-0.2 4,-0.1 -0.847 43.9 66.5-134.2 172.3 50.8 3.8 10.2 63 64 A D S > S- 0 0 40 -12,-0.6 4,-2.5 -2,-0.3 3,-0.4 0.775 70.8-122.4 78.5 109.8 51.9 0.8 12.4 64 65 A S H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.839 110.0 51.1 -50.1 -40.7 55.4 -0.5 11.5 65 66 A S H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 112.0 45.2 -67.4 -41.6 54.1 -4.0 10.9 66 67 A L H > S+ 0 0 14 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.877 112.5 52.7 -68.7 -36.4 51.2 -2.9 8.6 67 68 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.930 110.2 47.1 -62.6 -45.8 53.6 -0.6 6.7 68 69 A I H X S+ 0 0 10 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.869 107.1 57.0 -65.4 -36.7 56.1 -3.5 6.2 69 70 A D H X S+ 0 0 34 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.937 109.6 46.9 -57.8 -44.9 53.2 -5.7 5.0 70 71 A Y H X S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.944 112.2 48.6 -61.6 -49.2 52.5 -3.1 2.4 71 72 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.840 108.0 54.8 -61.5 -34.3 56.2 -2.8 1.4 72 73 A E H X S+ 0 0 31 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.909 109.9 47.6 -64.0 -41.2 56.5 -6.6 1.1 73 74 A T H < S+ 0 0 55 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.878 111.8 49.8 -65.7 -39.7 53.5 -6.5 -1.3 74 75 A L H < S+ 0 0 61 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 113.8 45.6 -68.2 -36.5 55.1 -3.6 -3.2 75 76 A A H < S- 0 0 25 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.771 105.7-132.5 -79.9 -29.3 58.5 -5.5 -3.5 76 77 A G >X - 0 0 20 -4,-1.9 3,-1.0 -5,-0.2 4,-0.6 -0.006 29.7 -65.7 94.6 159.5 57.2 -8.9 -4.5 77 78 A P G >4 S+ 0 0 127 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.817 125.0 57.9 -49.6 -46.0 57.9 -12.5 -3.3 78 79 A Q G 34 S+ 0 0 159 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.824 109.2 45.8 -60.5 -32.2 61.5 -12.8 -4.4 79 80 A R G <4 S+ 0 0 129 -3,-1.0 -1,-0.2 -4,-0.2 -3,-0.1 0.513 84.3 136.3 -89.2 -7.4 62.5 -9.7 -2.3 80 81 A S << - 0 0 33 -3,-1.0 4,-0.1 -4,-0.6 -8,-0.0 0.006 47.9-154.7 -45.3 143.0 60.6 -10.8 0.9 81 82 A L S S+ 0 0 13 75,-0.1 76,-2.6 2,-0.1 77,-0.3 0.265 77.3 76.7-100.2 6.8 62.3 -10.5 4.3 82 83 A M S S- 0 0 25 74,-0.2 2,-0.1 75,-0.1 7,-0.1 -0.913 84.5-118.2-120.5 144.4 60.1 -13.3 5.5 83 84 A P - 0 0 37 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 -0.513 15.8-155.1 -75.8 150.1 60.3 -17.1 5.0 84 85 A T + 0 0 124 -2,-0.1 2,-0.1 -4,-0.1 5,-0.0 0.746 66.2 98.6 -95.3 -27.2 57.2 -18.4 3.2 85 86 A A S > S- 0 0 49 1,-0.1 4,-3.0 4,-0.1 5,-0.3 -0.419 79.7-127.4 -61.5 129.0 57.5 -22.0 4.5 86 87 A L H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 102.1 43.7 -46.0 -58.8 55.1 -22.4 7.5 87 88 A P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.935 119.1 43.7 -59.8 -43.0 57.5 -23.7 10.2 88 89 A Q H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.869 114.2 50.4 -68.0 -36.3 60.2 -21.2 9.3 89 90 A R H X S+ 0 0 35 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.864 107.8 54.9 -68.9 -34.4 57.7 -18.4 9.0 90 91 A L H X S+ 0 0 10 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.952 108.5 47.1 -61.9 -50.2 56.3 -19.3 12.4 91 92 A R H X S+ 0 0 42 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.910 111.8 51.8 -58.1 -42.4 59.8 -19.1 14.0 92 93 A E H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.910 108.4 50.1 -61.9 -42.7 60.3 -15.7 12.3 93 94 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 590,-0.2 0.842 109.8 51.6 -66.1 -32.6 57.0 -14.3 13.6 94 95 A R H X S+ 0 0 15 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.934 110.9 47.3 -69.0 -45.5 57.9 -15.4 17.1 95 96 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.936 114.4 46.5 -61.0 -47.3 61.3 -13.7 17.0 96 97 A V H X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.928 111.7 52.2 -61.7 -42.7 59.8 -10.5 15.6 97 98 A G H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.901 110.6 46.7 -59.8 -43.1 57.0 -10.6 18.2 98 99 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.905 113.0 50.0 -65.9 -40.8 59.5 -11.0 21.0 99 100 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.921 111.7 47.4 -63.8 -44.6 61.6 -8.1 19.6 100 101 A L H X S+ 0 0 10 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.857 109.8 53.8 -65.6 -33.5 58.6 -5.9 19.2 101 102 A A H X S+ 0 0 2 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.917 107.8 50.8 -64.4 -42.3 57.6 -6.8 22.8 102 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.893 111.4 48.2 -61.8 -40.9 61.0 -5.7 23.9 103 104 A C H X S+ 0 0 3 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.945 110.4 51.4 -64.8 -48.3 60.6 -2.4 22.0 104 105 A E H X S+ 0 0 61 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.926 112.9 44.0 -54.5 -50.1 57.1 -1.9 23.6 105 106 A K H X S+ 0 0 12 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.860 112.8 52.5 -66.5 -34.8 58.4 -2.4 27.1 106 107 A S H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.946 111.7 45.8 -65.4 -46.0 61.4 -0.3 26.5 107 108 A V H X S+ 0 0 26 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.867 110.0 55.1 -64.6 -35.6 59.2 2.6 25.2 108 109 A Q H X S+ 0 0 42 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.903 108.4 47.8 -65.3 -39.0 56.9 2.2 28.1 109 110 A I H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.912 112.8 49.4 -66.5 -41.2 59.7 2.6 30.6 110 111 A V H X S+ 0 0 20 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.923 112.1 47.3 -64.0 -45.2 60.9 5.7 28.7 111 112 A Y H X S+ 0 0 75 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.890 110.5 52.3 -63.7 -41.3 57.5 7.3 28.6 112 113 A E H < S+ 0 0 6 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.890 116.1 41.0 -62.1 -39.7 56.9 6.6 32.3 113 114 A R H < S+ 0 0 80 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.635 127.0 29.1 -84.3 -16.1 60.2 8.3 33.1 114 115 A N H < S+ 0 0 108 -4,-1.4 -2,-0.2 -3,-0.2 -3,-0.2 0.537 110.8 54.7-125.0 -8.8 60.0 11.2 30.7 115 116 A L S < S+ 0 0 54 -4,-2.3 -3,-0.1 -5,-0.2 -2,-0.1 0.316 109.0 41.3-109.1 8.0 56.4 12.2 30.0 116 117 A R S S- 0 0 22 -4,-0.2 -1,-0.1 -5,-0.2 5,-0.1 -0.990 92.7 -88.0-149.8 154.7 55.4 12.8 33.6 117 118 A P > - 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0 0 22 -4,-2.1 3,-1.1 1,-0.1 4,-0.7 0.014 29.7 -73.0 98.9 153.7 22.3 20.5 68.5 281 78 B P T 34 S+ 0 0 125 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.770 125.4 61.8 -55.1 -30.3 26.1 19.9 68.5 282 79 B Q T 34 S+ 0 0 163 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.859 108.3 43.2 -65.5 -34.5 25.7 16.3 69.8 283 80 B R T <4 S+ 0 0 130 -3,-1.1 -1,-0.2 -4,-0.2 -3,-0.1 0.528 85.7 137.4 -87.3 -9.2 23.8 15.3 66.7 284 81 B S < - 0 0 32 -4,-0.7 4,-0.1 -3,-0.5 -8,-0.0 0.015 46.5-156.0 -45.5 140.0 26.0 17.1 64.2 285 82 B L S S+ 0 0 14 75,-0.1 76,-2.5 2,-0.1 77,-0.3 0.313 75.5 79.3 -96.1 5.0 26.9 15.4 60.9 286 83 B M S S- 0 0 25 74,-0.2 7,-0.1 75,-0.1 2,-0.1 -0.909 82.6-120.0-118.5 141.2 30.0 17.7 60.7 287 84 B P - 0 0 40 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 -0.433 17.3-156.6 -72.3 152.4 33.4 17.4 62.5 288 85 B T + 0 0 113 -2,-0.1 2,-0.2 -4,-0.1 -2,-0.0 0.680 63.5 96.8-103.3 -23.3 34.1 20.5 64.7 289 86 B A S > S- 0 0 46 1,-0.1 4,-3.3 4,-0.0 5,-0.3 -0.485 81.8-123.1 -67.6 137.3 37.9 20.3 64.8 290 87 B L H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 105.9 46.2 -49.2 -55.4 39.4 22.5 62.2 291 88 B P H > S+ 0 0 84 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.906 118.8 42.6 -57.7 -43.4 41.5 20.0 60.2 292 89 B Q H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.883 114.3 49.5 -70.0 -41.7 38.6 17.5 60.1 293 90 B R H X S+ 0 0 35 -4,-3.3 4,-2.8 2,-0.2 5,-0.2 0.886 108.6 54.7 -66.2 -37.8 35.9 20.0 59.3 294 91 B L H X S+ 0 0 9 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.950 110.2 45.0 -60.2 -49.4 38.1 21.4 56.5 295 92 B R H X S+ 0 0 34 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.920 112.1 52.6 -61.4 -41.9 38.4 18.0 54.9 296 93 B E H X S+ 0 0 25 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.931 110.6 47.5 -59.3 -46.0 34.7 17.4 55.4 297 94 B L H X S+ 0 0 4 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.863 110.1 53.1 -64.0 -36.7 33.8 20.7 53.7 298 95 B R H X S+ 0 0 21 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.952 111.2 45.6 -63.3 -48.6 36.2 19.9 50.8 299 96 B L H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.935 113.6 49.0 -59.9 -47.8 34.6 16.6 50.2 300 97 B V H X S+ 0 0 3 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.920 110.9 51.4 -59.2 -42.9 31.1 18.1 50.4 301 98 B G H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.918 110.8 46.8 -60.5 -44.1 32.1 20.8 48.0 302 99 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.897 113.1 50.4 -64.4 -39.7 33.5 18.3 45.5 303 100 B A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.927 111.4 46.6 -65.2 -44.3 30.3 16.3 45.8 304 101 B L H X S+ 0 0 13 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.896 110.1 54.6 -65.5 -37.6 28.0 19.2 45.3 305 102 B A H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.925 107.2 50.6 -59.5 -45.0 30.2 20.3 42.3 306 103 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.900 111.3 48.7 -59.8 -41.1 29.6 16.8 40.9 307 104 B C H X S+ 0 0 4 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.946 109.9 51.4 -63.6 -48.7 25.9 17.2 41.4 308 105 B E H X S+ 0 0 59 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.932 113.3 43.4 -54.2 -51.3 25.8 20.6 39.8 309 106 B K H X S+ 0 0 11 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.892 113.3 51.9 -64.7 -39.4 27.6 19.5 36.6 310 107 B S H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.948 112.2 46.6 -61.2 -47.1 25.5 16.3 36.4 311 108 B V H X S+ 0 0 23 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.851 109.1 54.8 -63.4 -36.2 22.4 18.4 36.7 312 109 B Q H X S+ 0 0 40 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.913 108.0 49.2 -65.0 -39.3 23.7 20.9 34.1 313 110 B I H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.945 112.7 48.0 -63.3 -45.9 24.2 18.0 31.6 314 111 B V H X S+ 0 0 19 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.930 113.1 46.9 -59.6 -49.2 20.7 16.7 32.3 315 112 B Y H X S+ 0 0 78 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.914 112.1 50.7 -61.1 -42.6 19.1 20.2 31.9 316 113 B E H < S+ 0 0 6 -4,-2.6 4,-0.2 -5,-0.2 -1,-0.2 0.913 118.4 37.5 -61.9 -43.7 21.1 20.8 28.7 317 114 B R H < S+ 0 0 78 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.791 128.5 32.0 -79.1 -29.5 20.0 17.5 27.2 318 115 B N H < S+ 0 0 113 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.718 111.2 54.0-103.4 -26.3 16.4 17.5 28.5 319 116 B L S < S+ 0 0 58 -4,-2.8 -3,-0.1 -5,-0.3 -1,-0.1 0.260 106.2 37.6-100.5 16.3 15.1 21.0 28.8 320 117 B R S S- 0 0 25 -4,-0.2 5,-0.1 -5,-0.1 211,-0.0 -0.987 91.0 -82.8-156.2 158.6 15.7 22.4 25.3 321 118 B P > - 0 0 48 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.236 41.2-113.8 -61.8 154.9 15.5 21.2 21.6 322 119 B A G > S+ 0 0 74 1,-0.3 3,-1.6 2,-0.2 -4,-0.0 0.880 116.7 59.5 -56.1 -40.5 18.4 19.3 20.2 323 120 B E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.733 105.0 49.7 -63.2 -21.5 19.1 22.2 17.8 324 121 B K G < S+ 0 0 57 -3,-1.4 -1,-0.3 -8,-0.1 2,-0.2 0.406 86.7 107.3 -99.1 4.2 19.5 24.6 20.8 325 122 B Q < - 0 0 51 -3,-1.6 2,-0.5 -4,-0.3 -8,-0.1 -0.542 61.0-143.6 -80.3 146.5 22.0 22.3 22.6 326 123 B H > - 0 0 25 -2,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.926 11.1-161.4-122.2 114.2 25.6 23.5 22.6 327 124 B G H > S+ 0 0 38 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.880 91.2 56.1 -56.3 -45.6 28.5 21.1 22.4 328 125 B P H > S+ 0 0 83 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.885 109.8 47.7 -57.1 -37.2 31.2 23.4 23.8 329 126 B W H > S+ 0 0 24 -3,-0.4 4,-2.5 2,-0.2 3,-0.3 0.962 112.3 48.5 -66.4 -51.2 29.1 24.0 26.9 330 127 B L H X S+ 0 0 32 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.860 110.4 51.9 -56.5 -39.2 28.6 20.2 27.3 331 128 B E H X S+ 0 0 103 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.860 110.1 48.6 -67.9 -35.0 32.3 19.5 26.9 332 129 B R H X S+ 0 0 54 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.953 114.6 44.2 -68.1 -50.9 33.2 22.1 29.5 333 130 B V H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.870 111.8 53.9 -62.4 -39.1 30.7 20.8 32.1 334 131 B G H X S+ 0 0 8 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.897 108.0 50.3 -64.1 -38.3 31.7 17.2 31.3 335 132 B G H X S+ 0 0 40 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.917 110.6 48.8 -65.0 -43.0 35.3 18.0 32.0 336 133 B Q H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.863 108.7 53.7 -64.1 -37.3 34.4 19.6 35.3 337 134 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.922 110.2 47.3 -63.2 -44.8 32.3 16.6 36.2 338 135 B Q H X S+ 0 0 32 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.920 112.2 50.7 -61.4 -45.4 35.3 14.3 35.6 339 136 B A H X S+ 0 0 21 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.911 107.3 53.5 -60.0 -45.3 37.6 16.6 37.5 340 137 B A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.952 112.7 42.0 -56.8 -53.6 35.2 16.7 40.5 341 138 B Y H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.846 111.4 57.4 -65.4 -30.6 35.1 12.9 40.9 342 139 B G H X S+ 0 0 17 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.900 107.9 46.9 -65.8 -39.3 38.8 12.6 40.2 343 140 B E H X S+ 0 0 24 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.910 112.9 49.0 -66.8 -42.7 39.5 14.9 43.2 344 141 B L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.896 109.9 52.3 -62.7 -42.0 37.1 12.9 45.4 345 142 B E H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.894 108.7 50.0 -62.0 -42.7 38.7 9.7 44.3 346 143 B Q H X S+ 0 0 77 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.885 111.0 49.7 -64.5 -39.3 42.2 11.0 45.3 347 144 B E H X S+ 0 0 25 -4,-2.0 4,-2.4 2,-0.2 3,-0.3 0.938 113.0 45.2 -64.8 -48.2 40.9 12.1 48.7 348 145 B L H < S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.860 110.6 53.3 -65.4 -36.4 39.3 8.8 49.4 349 146 B Q H < S+ 0 0 80 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.800 113.2 46.1 -68.4 -25.5 42.4 6.8 48.2 350 147 B K H < S+ 0 0 143 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.867 134.3 9.1 -82.3 -41.3 44.5 8.9 50.6 351 148 B Q S < S- 0 0 101 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.769 82.7-141.1-144.6 92.8 42.2 8.6 53.6 352 149 B P - 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.183 22.5-113.9 -54.5 143.5 39.3 6.1 53.3 353 150 B L - 0 0 23 1,-0.1 2,-0.0 10,-0.0 -5,-0.0 -0.501 39.4 -97.4 -77.7 148.4 35.9 7.1 54.8 354 151 B P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.326 24.8-159.2 -68.5 147.9 34.7 5.1 57.8 355 152 B R + 0 0 141 1,-0.1 4,-0.1 -3,-0.1 -2,-0.0 -0.693 49.6 122.1-125.5 74.9 32.3 2.2 57.3 356 153 B D S S- 0 0 111 2,-0.4 -1,-0.1 -2,-0.3 3,-0.1 0.250 89.6 -93.8-119.1 8.0 30.8 1.8 60.8 357 154 B G S S+ 0 0 48 1,-0.4 2,-0.3 -3,-0.1 -2,-0.1 0.333 97.7 99.5 95.5 -7.6 27.1 2.3 60.0 358 155 B S - 0 0 67 41,-0.0 -2,-0.4 0, 0.0 -1,-0.4 -0.763 56.6-151.4-110.5 159.2 27.2 6.0 60.8 359 156 B L - 0 0 27 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.0 -0.956 9.3-160.9-134.3 150.9 27.5 8.9 58.4 360 157 B G > - 0 0 21 -2,-0.3 4,-2.1 -64,-0.0 -74,-0.2 -0.587 47.8 -90.5-113.4 178.9 28.8 12.5 58.2 361 158 B Q H > S+ 0 0 5 -76,-2.5 4,-2.6 -2,-0.2 5,-0.2 0.840 125.4 53.6 -63.5 -33.2 27.8 15.1 55.7 362 159 B A H > S+ 0 0 2 -77,-0.3 4,-2.9 2,-0.2 5,-0.3 0.933 109.1 48.2 -67.2 -44.7 30.6 14.2 53.3 363 160 B G H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.930 114.7 45.3 -60.2 -47.7 29.5 10.5 53.3 364 161 B I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.947 117.3 43.4 -61.3 -51.0 25.9 11.4 52.7 365 162 B S H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.899 114.3 49.5 -64.0 -42.8 26.6 14.0 49.9 366 163 B L H X S+ 0 0 2 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.928 114.4 44.3 -62.6 -46.9 29.2 11.9 48.2 367 164 B A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 5,-0.2 0.907 114.1 48.6 -66.1 -43.5 27.0 8.8 48.0 368 165 B V H X S+ 0 0 3 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.910 114.0 48.8 -63.8 -39.2 23.9 10.7 47.0 369 166 B A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.959 110.0 48.8 -65.5 -52.2 25.9 12.4 44.3 370 167 B W H X S+ 0 0 16 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.931 112.8 47.9 -55.0 -49.0 27.6 9.3 42.8 371 168 B S H X S+ 0 0 27 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.882 111.6 50.9 -60.6 -38.7 24.2 7.4 42.6 372 169 B F H X S+ 0 0 22 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.927 110.4 49.1 -64.7 -45.4 22.6 10.4 40.9 373 170 B S H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.903 111.4 48.6 -60.7 -42.7 25.4 10.7 38.4 374 171 B Q H < S+ 0 0 56 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.807 114.0 47.6 -68.5 -28.4 25.1 6.9 37.6 375 172 B M H < S+ 0 0 92 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.867 128.0 22.1 -78.6 -38.1 21.4 7.3 37.2 376 173 B M H < S+ 0 0 75 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.728 134.7 25.3-105.1 -27.5 21.4 10.3 35.0 377 174 B V >< + 0 0 0 -4,-3.1 3,-2.0 -5,-0.3 4,-0.1 -0.235 65.4 143.3-134.3 48.9 24.8 10.6 33.3 378 175 B A G > + 0 0 54 -4,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.750 63.8 74.5 -57.8 -27.7 26.1 7.0 33.2 379 176 B D G 3 S+ 0 0 60 1,-0.3 -1,-0.3 -3,-0.1 419,-0.2 0.573 88.8 60.3 -63.6 -11.6 27.6 7.6 29.8 380 177 B Q G < S+ 0 0 19 -3,-2.0 2,-0.3 -7,-0.2 -1,-0.3 0.438 97.2 71.4 -97.3 0.5 30.4 9.7 31.4 381 178 B F < - 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