==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JUL-93 5GST . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR X.JI,R.N.ARMSTRONG,G.L.GILLILAND . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 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 . 4 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 . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 39.6 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 1 0 1 2 1 2 0 4 1 0 0 0 2 0 0 0 0 0 0 1 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 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 P 0 0 96 0, 0.0 64,-0.3 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0-159.7 -3.9 23.9 37.7 2 2 A M E -a 27 0A 9 24,-1.5 26,-2.6 62,-0.1 2,-0.4 -0.499 360.0-144.6 -69.5 146.3 -1.4 22.5 35.1 3 3 A I E -aB 28 63A 48 60,-2.5 60,-2.6 24,-0.2 2,-0.5 -0.980 14.0-168.5-116.7 130.9 2.0 22.0 36.7 4 4 A L E -aB 29 62A 1 24,-2.3 26,-2.6 -2,-0.4 2,-0.4 -0.969 5.8-168.9-117.3 123.2 5.4 22.5 34.8 5 5 A G E +aB 30 61A 0 56,-2.0 56,-1.3 -2,-0.5 2,-0.3 -0.885 25.2 127.5-110.3 142.2 8.6 21.2 36.5 6 6 A Y E -a 31 0A 24 24,-1.5 26,-2.3 -2,-0.4 5,-0.0 -0.912 61.6 -67.0-173.8 166.5 12.2 22.1 35.2 7 7 A W E -a 32 0A 31 -2,-0.3 2,-2.0 24,-0.2 26,-0.2 -0.192 58.4 -99.0 -59.0 156.7 15.5 23.4 36.4 8 8 A N S S+ 0 0 64 24,-1.3 2,-0.3 23,-0.2 -1,-0.1 -0.571 97.6 90.0 -79.5 55.5 15.4 27.1 37.5 9 9 A V S S- 0 0 8 -2,-2.0 198,-0.2 1,-0.2 4,-0.1 -0.930 87.3-112.9-149.8 166.3 16.8 27.8 34.1 10 10 A R > + 0 0 0 196,-2.1 3,-1.3 -2,-0.3 4,-0.2 0.995 66.8 132.3 -65.5 -65.7 16.1 28.7 30.5 11 11 A G T 3 S- 0 0 7 196,-2.5 3,-0.3 1,-0.2 -1,-0.1 -0.206 86.4 -37.4 52.5-132.2 17.4 25.4 29.2 12 12 A L T 3 S+ 0 0 41 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.288 124.9 79.6-107.5 -1.5 15.0 23.7 26.7 13 13 A T X> + 0 0 0 -3,-1.3 4,-1.6 1,-0.2 3,-0.5 0.330 60.1 97.7 -94.0 7.8 11.8 24.7 28.4 14 14 A H H 3> S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.925 80.8 54.9 -65.5 -44.1 11.6 28.3 27.2 15 15 A P H 3> S+ 0 0 1 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.709 108.8 48.2 -53.4 -38.5 9.2 27.4 24.4 16 16 A I H <> S+ 0 0 1 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.913 109.4 50.3 -69.0 -48.7 6.7 25.8 26.8 17 17 A R H X S+ 0 0 1 -4,-1.6 4,-1.8 1,-0.3 5,-0.2 0.964 114.1 48.1 -60.1 -48.1 6.7 28.7 29.3 18 18 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.829 112.1 47.2 -55.5 -46.1 6.0 31.0 26.4 19 19 A L H X S+ 0 0 0 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.821 107.6 55.7 -69.3 -37.1 3.2 28.8 24.9 20 20 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.2 0.883 112.4 45.2 -58.7 -39.6 1.5 28.4 28.3 21 21 A E H ><5S+ 0 0 24 -4,-1.8 3,-1.8 -5,-0.2 -2,-0.2 0.944 109.5 52.2 -64.4 -51.8 1.4 32.3 28.5 22 22 A Y H 3<5S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.758 110.7 49.3 -57.7 -40.6 0.2 32.9 24.9 23 23 A T T 3<5S- 0 0 19 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.403 109.2-120.4 -80.5 -3.7 -2.7 30.6 25.3 24 24 A D T < 5 + 0 0 102 -3,-1.8 2,-0.3 -4,-0.2 -3,-0.2 0.896 51.4 170.7 62.0 43.1 -3.9 32.0 28.7 25 25 A S < - 0 0 21 -5,-2.4 2,-0.5 -6,-0.1 -1,-0.2 -0.684 35.0-129.5 -86.5 145.2 -3.4 28.7 30.4 26 26 A S + 0 0 95 -2,-0.3 -24,-1.5 -23,-0.0 2,-0.3 -0.836 51.7 137.3 -92.1 131.2 -3.7 28.5 34.2 27 27 A Y E -a 2 0A 37 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.935 39.4-146.5-165.6 159.1 -0.6 26.7 35.5 28 28 A E E -a 3 0A 103 -26,-2.6 -24,-2.3 -2,-0.3 2,-0.3 -0.820 19.9-136.8-127.5 165.3 2.0 26.8 38.2 29 29 A E E -a 4 0A 46 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.947 8.8-149.8-127.2 153.0 5.7 25.8 38.0 30 30 A K E -a 5 0A 76 -26,-2.6 -24,-1.5 -2,-0.3 2,-0.7 -0.972 15.9-165.7-119.1 118.7 8.2 23.9 40.1 31 31 A R E -a 6 0A 73 -2,-0.5 -24,-0.2 -26,-0.2 -23,-0.2 -0.889 12.0-153.2-109.1 95.5 11.7 25.3 39.5 32 32 A Y E -a 7 0A 0 -26,-2.3 -24,-1.3 -2,-0.7 2,-0.3 -0.543 9.0-136.0 -73.8 138.4 14.2 22.8 40.9 33 33 A A - 0 0 48 -26,-0.2 2,-0.4 -2,-0.2 11,-0.4 -0.638 9.3-145.4 -96.5 152.1 17.5 24.1 42.0 34 34 A M - 0 0 17 -2,-0.3 8,-0.2 -26,-0.1 7,-0.1 -0.943 20.4-115.9-115.9 133.8 20.9 22.5 41.3 35 35 A G - 0 0 25 6,-2.7 175,-0.2 -2,-0.4 2,-0.2 -0.007 33.9-108.2 -57.0 171.5 23.9 22.5 43.7 36 36 A D >> - 0 0 110 1,-0.2 4,-1.6 4,-0.1 3,-1.0 -0.507 54.3 -31.9 -97.3 165.9 27.1 24.3 42.9 37 37 A A T 34 S+ 0 0 45 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.005 108.0 32.0 -48.9 159.2 30.5 22.9 41.9 38 38 A P T 34 S+ 0 0 120 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.981 134.8 14.8 -96.8 5.4 32.3 20.6 42.4 39 39 A D T <4 S- 0 0 120 -3,-1.0 -2,-0.2 2,-0.0 -4,-0.1 0.581 77.7-147.9-112.1 -20.3 29.4 18.1 42.9 40 40 A Y < - 0 0 68 -4,-1.6 -3,-0.1 1,-0.1 -4,-0.1 0.892 21.1-135.0 49.3 64.7 26.3 19.8 41.6 41 41 A D - 0 0 86 -5,-0.4 -6,-2.7 -7,-0.1 -1,-0.1 -0.072 26.4-178.6 -49.9 138.0 23.6 18.3 43.9 42 42 A R >> + 0 0 106 -8,-0.2 4,-2.1 1,-0.1 3,-1.3 0.367 44.3 116.0-122.4 6.6 20.5 17.1 42.1 43 43 A S H 3> + 0 0 52 1,-0.3 4,-3.2 2,-0.2 5,-0.1 0.633 63.0 63.9 -55.1 -32.7 18.5 15.9 45.1 44 44 A Q H 34 S+ 0 0 84 -11,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.851 118.8 32.2 -57.6 -36.4 15.5 18.4 45.1 45 45 A W H X> S+ 0 0 5 -3,-1.3 3,-1.8 -12,-0.3 4,-1.0 0.927 117.9 54.0 -81.1 -54.7 14.7 16.7 41.8 46 46 A L H 3< S+ 0 0 75 -4,-2.1 4,-0.4 1,-0.3 -2,-0.2 0.742 97.8 66.6 -53.0 -32.3 16.0 13.3 42.6 47 47 A N T 3< S+ 0 0 105 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.1 0.634 119.1 20.2 -62.7 -22.2 13.8 13.1 45.8 48 48 A E T X4 S+ 0 0 35 -3,-1.8 3,-2.3 -4,-0.2 4,-0.4 0.311 88.6 109.1-125.5 -4.2 10.7 13.0 43.6 49 49 A K T 3< S+ 0 0 47 -4,-1.0 3,-0.4 1,-0.3 5,-0.3 0.850 92.2 34.8 -40.2 -44.7 11.8 11.9 40.2 50 50 A F T 3 S+ 0 0 143 -4,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.135 109.2 67.6-101.9 14.5 10.1 8.5 40.7 51 51 A K S < S+ 0 0 146 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.310 75.8 78.9-118.4 5.8 7.1 9.7 42.6 52 52 A L S S- 0 0 32 -4,-0.4 -1,-0.1 -3,-0.4 -2,-0.1 0.397 99.3-114.2 -93.8 -1.7 5.1 11.8 40.2 53 53 A G + 0 0 54 1,-0.2 2,-0.4 -3,-0.1 15,-0.1 0.750 61.6 156.0 74.6 23.4 3.5 8.9 38.2 54 54 A L - 0 0 18 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.738 43.9-140.5 -87.5 138.3 5.4 9.8 35.0 55 55 A D S S+ 0 0 73 -2,-0.4 303,-0.1 1,-0.3 -1,-0.1 0.881 97.9 14.2 -59.8 -53.3 6.0 7.0 32.4 56 56 A F S S- 0 0 5 2,-0.1 -1,-0.3 302,-0.0 2,-0.3 -0.854 94.2-135.8-127.6 88.1 9.5 8.0 31.5 57 57 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.311 46.8 125.7 -52.2 126.4 10.7 10.4 34.3 58 58 A N - 0 0 59 -2,-0.3 -2,-0.1 -9,-0.1 -4,-0.0 -0.921 53.1 -65.4-164.5 179.4 12.5 13.5 33.0 59 59 A L S S+ 0 0 12 -2,-0.3 -53,-0.2 1,-0.1 13,-0.1 -0.990 104.2 40.1-125.9 128.3 12.6 17.3 33.0 60 60 A P S S+ 0 0 3 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.483 74.9 168.6 -83.7 171.4 10.6 19.0 31.9 61 61 A Y E -BC 5 70A 6 -56,-1.3 -56,-2.0 9,-0.2 2,-0.4 -0.926 21.0-152.1-141.9 149.4 7.2 17.4 32.7 62 62 A L E -BC 4 69A 0 7,-2.0 7,-2.1 -2,-0.3 2,-0.6 -0.995 4.7-166.3-121.3 115.3 3.7 18.7 32.4 63 63 A I E +BC 3 68A 27 -60,-2.6 -60,-2.5 -2,-0.4 2,-0.4 -0.921 9.8 175.1-103.7 120.6 0.9 17.4 34.8 64 64 A D E > - C 0 67A 34 3,-3.2 3,-1.7 -2,-0.6 2,-0.9 -0.696 65.8 -72.8-123.8 75.4 -2.6 18.4 33.4 65 65 A G T 3 S- 0 0 60 -2,-0.4 -62,-0.0 -64,-0.3 -1,-0.0 -0.651 120.5 -3.9 73.9-105.9 -4.9 16.7 35.9 66 66 A S T 3 S+ 0 0 112 -2,-0.9 2,-0.5 -3,-0.1 -1,-0.3 0.479 117.2 91.2 -97.8 -7.5 -4.6 13.0 35.0 67 67 A R E < -C 64 0A 114 -3,-1.7 -3,-3.2 2,-0.0 2,-0.5 -0.779 53.5-175.8 -95.0 121.9 -2.3 13.6 31.9 68 68 A K E -C 63 0A 69 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.995 8.8-176.4-118.4 118.4 1.4 13.4 32.8 69 69 A I E -C 62 0A 2 -7,-2.1 -7,-2.0 -2,-0.5 2,-0.3 -0.980 12.1-179.7-125.1 145.3 3.7 14.2 29.9 70 70 A T E +C 61 0A 2 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.798 50.1 71.9-132.6 165.0 7.5 14.2 29.6 71 71 A Q S >> S- 0 0 18 -11,-0.7 4,-1.8 -2,-0.3 3,-0.8 0.788 74.4-125.1 83.5 105.0 9.6 15.0 26.5 72 72 A S H 3> S+ 0 0 12 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.937 109.7 52.8 -41.8 -45.9 9.5 18.8 25.7 73 73 A N H 3> S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.910 107.7 49.9 -66.3 -38.4 8.3 18.2 22.1 74 74 A A H <> S+ 0 0 1 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.892 111.1 49.3 -70.7 -33.4 5.4 16.1 23.3 75 75 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.945 110.3 52.1 -62.5 -45.1 4.3 18.8 25.8 76 76 A M H X S+ 0 0 2 -4,-3.1 4,-1.8 1,-0.3 -2,-0.2 0.896 112.9 45.1 -58.0 -45.7 4.6 21.4 23.0 77 77 A R H X S+ 0 0 21 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.3 0.875 108.1 54.1 -69.8 -37.7 2.3 19.2 20.8 78 78 A Y H X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.926 111.6 47.9 -63.0 -44.2 -0.3 18.4 23.5 79 79 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.885 110.3 52.8 -60.4 -40.4 -0.6 22.2 24.1 80 80 A A H <>S+ 0 0 0 -4,-1.8 5,-2.8 -5,-0.2 4,-0.5 0.857 109.0 47.4 -64.6 -41.2 -0.9 22.8 20.3 81 81 A R H ><5S+ 0 0 57 -4,-1.8 3,-0.6 3,-0.2 -1,-0.2 0.883 111.4 51.6 -66.7 -43.5 -3.7 20.3 19.8 82 82 A K H 3<5S+ 0 0 90 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.860 121.0 33.3 -60.5 -36.5 -5.7 21.7 22.8 83 83 A H T 3<5S- 0 0 57 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.265 109.9-113.7-112.2 15.3 -5.4 25.3 21.5 84 84 A H T < 5 + 0 0 155 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.896 66.9 142.1 52.1 45.0 -5.5 24.7 17.7 85 85 A L < + 0 0 15 -5,-2.8 69,-2.4 -6,-0.1 2,-0.2 -0.323 37.4 107.8-105.3 48.8 -1.9 25.8 17.1 86 86 A C S S- 0 0 41 -6,-0.2 7,-0.1 67,-0.2 2,-0.1 -0.749 81.8 -84.8-117.3 167.3 -1.1 23.2 14.5 87 87 A G - 0 0 5 -2,-0.2 -1,-0.1 5,-0.2 62,-0.0 -0.472 34.9-151.0 -69.5 146.0 -0.6 23.4 10.7 88 88 A E S S+ 0 0 130 -2,-0.1 2,-0.2 -3,-0.0 -1,-0.1 0.598 72.6 35.7 -93.5 -19.4 -4.0 23.2 9.0 89 89 A T S > S- 0 0 72 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.704 95.2 -95.0-124.6 176.2 -3.0 21.6 5.7 90 90 A E H > S+ 0 0 48 -2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.961 121.1 55.0 -58.8 -46.7 -0.4 19.0 4.7 91 91 A E H > S+ 0 0 140 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 108.5 45.6 -50.5 -50.9 2.1 21.7 3.8 92 92 A E H > S+ 0 0 37 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.909 111.5 54.2 -65.2 -40.9 2.0 23.4 7.1 93 93 A R H X S+ 0 0 89 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.921 110.4 45.2 -65.3 -36.5 2.2 20.1 8.9 94 94 A I H X S+ 0 0 19 -4,-2.9 4,-2.2 2,-0.2 5,-0.3 0.917 111.9 51.7 -71.5 -42.0 5.4 19.1 7.0 95 95 A R H X S+ 0 0 31 -4,-2.4 4,-2.2 -5,-0.3 5,-0.3 0.972 112.2 48.1 -54.3 -50.7 7.0 22.5 7.5 96 96 A A H X S+ 0 0 4 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.916 108.6 51.2 -59.3 -45.2 6.3 22.2 11.2 97 97 A D H X S+ 0 0 5 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.919 112.0 48.7 -56.7 -44.1 7.7 18.7 11.6 98 98 A I H X S+ 0 0 4 -4,-2.2 4,-3.3 -5,-0.2 5,-0.3 0.969 113.5 44.1 -61.1 -51.4 10.9 19.7 9.9 99 99 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.982 108.9 57.8 -61.9 -44.2 11.5 22.9 12.0 100 100 A E H X S+ 0 0 1 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.942 115.4 36.8 -47.7 -52.9 10.6 21.1 15.2 101 101 A N H X S+ 0 0 9 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.911 113.0 55.5 -73.4 -36.7 13.4 18.6 14.6 102 102 A Q H X S+ 0 0 15 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.894 105.4 54.8 -63.8 -43.8 15.9 21.0 13.0 103 103 A V H X S+ 0 0 3 -4,-3.0 4,-3.0 -5,-0.3 -1,-0.2 0.917 105.7 51.3 -49.7 -47.1 15.7 23.2 16.2 104 104 A M H X S+ 0 0 49 -4,-1.4 4,-2.9 -5,-0.3 -1,-0.2 0.937 109.0 51.5 -63.9 -35.1 16.5 20.3 18.4 105 105 A D H X S+ 0 0 53 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.951 112.4 45.2 -61.3 -52.1 19.6 19.5 16.2 106 106 A N H X S+ 0 0 5 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.809 112.3 52.9 -65.2 -29.5 20.7 23.1 16.5 107 107 A R H X S+ 0 0 9 -4,-3.0 4,-2.0 1,-0.2 3,-0.2 0.910 107.8 50.3 -67.5 -46.5 20.0 23.1 20.2 108 108 A M H X S+ 0 0 67 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.860 104.8 57.9 -56.8 -35.9 22.2 19.9 20.7 109 109 A Q H X S+ 0 0 68 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.907 109.3 44.9 -60.7 -41.7 25.1 21.4 18.8 110 110 A L H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.2 -2,-0.2 0.908 112.4 50.3 -69.3 -46.7 25.3 24.4 21.2 111 111 A I H X S+ 0 0 46 -4,-2.0 4,-0.8 1,-0.2 5,-0.2 0.950 109.0 52.1 -55.3 -54.3 24.9 22.2 24.3 112 112 A M H < S+ 0 0 98 -4,-2.5 4,-0.4 2,-0.2 3,-0.4 0.887 113.3 45.7 -54.4 -39.7 27.8 19.8 23.1 113 113 A L H 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3,-0.6 0.757 118.1 65.8 -58.6 -30.4 4.4 4.8 13.2 373 155 B V H 3> S+ 0 0 0 -70,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.783 87.5 65.3 -66.7 -35.8 5.8 4.7 16.7 374 156 B D H <> S+ 0 0 0 -3,-1.4 4,-3.4 2,-0.2 5,-0.3 0.865 98.7 56.9 -55.2 -36.1 6.0 0.9 16.8 375 157 B F H X S+ 0 0 2 -4,-2.1 4,-1.3 -5,-0.3 3,-0.6 0.776 108.2 55.4 -60.0 -35.1 19.6 -2.6 19.0 384 166 B Y H 3X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 3,-0.3 0.913 105.9 49.2 -63.3 -47.6 19.5 -3.0 22.8 385 167 B H H 3< S+ 0 0 67 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.241 109.0 55.4 -78.9 7.8 19.3 -6.8 22.6 386 168 B I H <4 S+ 0 0 63 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.703 112.7 40.3-100.5 -40.9 22.2 -6.7 20.2 387 169 B F H < S+ 0 0 10 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.1 0.744 137.0 17.0 -81.8 -32.4 24.4 -4.7 22.7 388 170 B E >< - 0 0 56 -4,-2.3 3,-3.4 -5,-0.1 4,-0.4 -0.685 66.5-177.5-145.0 81.8 23.2 -6.8 25.7 389 171 B P T 3 S+ 0 0 90 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.812 84.1 62.3 -48.8 -34.0 21.5 -10.0 24.6 390 172 B K T 3 S+ 0 0 164 1,-0.2 4,-0.3 2,-0.1 -5,-0.1 0.356 86.5 80.7 -77.8 9.0 20.8 -10.8 28.2 391 173 B C S X S+ 0 0 11 -3,-3.4 3,-0.9 1,-0.2 4,-0.3 0.994 78.0 58.4 -79.3 -64.0 18.6 -7.6 28.5 392 174 B L G > S+ 0 0 13 -4,-0.4 3,-1.5 1,-0.2 7,-0.4 0.644 88.5 98.1 -38.2 -20.1 15.2 -8.6 26.9 393 175 B D G 3 S+ 0 0 86 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.826 78.4 37.3 -40.7 -68.2 15.3 -11.3 29.7 394 176 B A G < S+ 0 0 77 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.512 110.8 68.9 -69.4 -5.7 13.2 -10.0 32.6 395 177 B F X> + 0 0 33 -3,-1.5 4,-1.8 -4,-0.3 3,-1.3 -0.720 49.8 168.6-123.6 89.3 10.7 -8.5 30.2 396 178 B P H 3> S+ 0 0 78 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.798 78.7 62.0 -65.3 -37.8 8.6 -11.0 28.2 397 179 B N H 3> S+ 0 0 39 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.787 106.4 48.8 -62.5 -26.0 6.1 -8.4 27.0 398 180 B L H <> S+ 0 0 0 -3,-1.3 4,-2.2 -6,-0.2 3,-0.4 0.913 109.8 50.4 -76.5 -38.8 9.1 -6.8 25.2 399 181 B K H X S+ 0 0 96 -4,-1.8 4,-1.6 -7,-0.4 -2,-0.2 0.901 112.8 47.6 -61.7 -42.0 10.2 -10.2 23.8 400 182 B D H X S+ 0 0 89 -4,-3.0 4,-2.3 2,-0.2 -1,-0.3 0.704 107.7 54.0 -65.0 -39.5 6.7 -10.7 22.5 401 183 B F H X S+ 0 0 0 -4,-1.1 4,-2.9 -3,-0.4 5,-0.3 0.914 108.4 51.0 -56.3 -51.0 6.4 -7.2 20.9 402 184 B L H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.912 114.4 42.8 -55.2 -37.0 9.6 -7.9 19.0 403 185 B A H X S+ 0 0 62 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.841 113.3 51.8 -82.0 -35.2 8.3 -11.2 17.7 404 186 B R H < S+ 0 0 81 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.853 113.5 44.8 -66.0 -36.8 4.8 -9.7 17.0 405 187 B F H >< S+ 0 0 0 -4,-2.9 3,-2.0 2,-0.2 6,-0.2 0.944 112.9 50.1 -68.3 -46.4 6.5 -6.9 14.9 406 188 B E H 3< S+ 0 0 67 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.862 105.8 61.4 -58.4 -26.0 8.8 -9.3 13.2 407 189 B G T 3< S+ 0 0 52 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.601 70.8 116.3 -87.8 -5.0 5.7 -11.3 12.4 408 190 B L S <> S- 0 0 37 -3,-2.0 4,-2.2 -4,-0.3 5,-0.1 -0.330 72.9-124.7 -71.1 135.3 3.9 -8.7 10.3 409 191 B K H > S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.911 106.2 44.4 -43.6 -63.0 3.6 -10.1 6.8 410 192 B K H > S+ 0 0 69 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.814 116.6 49.0 -59.8 -35.3 5.2 -7.4 4.9 411 193 B I H > S+ 0 0 0 2,-0.2 4,-1.7 -6,-0.2 -1,-0.2 0.701 105.6 55.5 -67.8 -45.0 8.0 -7.2 7.4 412 194 B S H < S+ 0 0 45 -4,-2.2 4,-0.5 -3,-0.3 -2,-0.2 0.948 110.6 46.3 -55.4 -47.1 8.7 -10.9 7.5 413 195 B A H >< S+ 0 0 46 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.838 109.3 54.1 -65.6 -39.8 9.3 -10.9 3.8 414 196 B Y H >< S+ 0 0 0 -4,-1.5 3,-2.4 1,-0.2 6,-0.6 0.904 101.6 59.6 -60.8 -45.1 11.5 -7.8 3.8 415 197 B M T 3< S+ 0 0 50 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.635 108.1 43.8 -58.2 -22.1 13.8 -9.4 6.4 416 198 B K T < S+ 0 0 171 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.236 100.5 102.5-102.8 -0.2 14.7 -12.3 4.1 417 199 B S S < S- 0 0 31 -3,-2.4 3,-0.4 1,-0.1 -3,-0.0 -0.437 84.0-115.9 -87.1 174.1 15.0 -9.9 1.1 418 200 B S S S+ 0 0 119 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.1 0.621 112.2 64.8 -74.4 -25.3 18.1 -8.5 -0.6 419 201 B R S S+ 0 0 100 -5,-0.2 -1,-0.2 2,-0.0 -4,-0.1 0.760 77.5 111.0 -68.8 -25.7 17.1 -5.0 0.5 420 202 B Y + 0 0 59 -6,-0.6 2,-0.3 -3,-0.4 -5,-0.1 -0.115 40.6 179.4 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32.4 3.6 15.7 431 213 B Q S S+ 0 0 57 -99,-2.0 2,-0.3 1,-0.2 -98,-0.1 0.333 87.9 48.3-119.6 -6.9 33.6 1.0 18.2 432 214 B W S S- 0 0 41 -100,-0.5 -1,-0.2 1,-0.1 -6,-0.2 -0.983 122.5 -3.6-146.9 132.5 30.5 -1.2 17.9 433 215 B S S S+ 0 0 18 -2,-0.3 -7,-2.7 -8,-0.1 -8,-0.9 0.953 86.2 137.0 53.3 50.1 28.6 -2.5 15.0 434 216 B N 0 0 33 -10,-0.2 -1,-0.1 -9,-0.2 -4,-0.1 0.369 360.0 360.0-106.7 -0.8 31.1 -0.5 12.9 435 217 B K 0 0 212 -7,-0.1 -10,-0.1 -8,-0.0 -9,-0.1 -0.960 360.0 360.0-142.0 360.0 31.6 -3.2 10.3