==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-DEC-06 2OAC . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE P 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR O.J.KYRIELEIS,G.MCMANUS,T.J.MANTLE,A.R.KHAN . 418 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.3 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 1.0 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 . 14 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 3 0 0 2 2 1 1 2 0 0 0 2 0 0 0 0 0 0 0 2 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 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 2,-0.1 0, 0.0 58,-0.1 0.000 360.0 360.0 360.0 163.2 9.6 23.6 -6.3 2 2 A P - 0 0 94 0, 0.0 2,-0.4 0, 0.0 26,-0.1 0.529 360.0-153.4 -71.8 153.1 10.8 25.9 -7.8 3 3 A Y E -a 28 0A 9 24,-0.6 26,-3.4 54,-0.2 2,-0.4 -0.791 15.7-177.9-101.7 140.8 12.3 23.6 -10.4 4 4 A T E -aB 29 56A 14 52,-1.6 52,-2.1 -2,-0.4 2,-0.5 -0.998 10.9-156.4-135.6 135.3 15.3 24.5 -12.5 5 5 A I E -aB 30 55A 0 24,-2.5 26,-3.3 -2,-0.4 2,-0.6 -0.968 3.1-167.0-117.3 123.1 16.8 22.3 -15.3 6 6 A V E +aB 31 54A 5 48,-3.0 48,-2.8 -2,-0.5 2,-0.3 -0.947 36.9 125.8-109.8 111.6 20.5 22.7 -16.2 7 7 A Y E -a 32 0A 20 24,-1.4 26,-2.7 -2,-0.6 -2,-0.1 -0.965 60.6 -80.0-158.2 168.7 21.2 20.9 -19.5 8 8 A F - 0 0 47 -2,-0.3 2,-2.2 24,-0.2 26,-0.2 -0.248 60.1 -90.1 -68.9 164.3 22.5 21.2 -23.1 9 9 A P S S+ 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.323 97.3 87.6 -76.6 57.5 20.3 22.7 -25.8 10 10 A V S S- 0 0 7 -2,-2.2 193,-0.2 1,-0.2 194,-0.1 -0.937 80.0-120.9-146.7 166.1 18.7 19.3 -26.8 11 11 A R S >> S+ 0 0 47 191,-2.3 3,-2.4 -2,-0.3 4,-1.4 0.980 72.7 117.3 -72.5 -59.1 15.8 17.1 -25.8 12 12 A G G >4 S- 0 0 11 191,-2.7 3,-0.6 1,-0.3 4,-0.4 0.112 89.3 -8.3 33.0-126.3 17.9 14.1 -24.9 13 13 A R G 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.330 134.4 58.4 -82.3 7.3 17.8 13.0 -21.3 14 14 A A G <> S+ 0 0 0 -3,-2.4 4,-1.6 -4,-0.1 -1,-0.2 0.577 82.8 79.9-109.8 -14.9 15.8 16.0 -20.2 15 15 A E H S+ 0 0 3 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.920 111.2 46.9 -61.3 -42.6 10.9 13.0 -20.3 17 17 A M H > S+ 0 0 1 -4,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.835 111.0 54.4 -68.4 -27.8 11.2 15.1 -17.1 18 18 A R H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.924 109.0 46.4 -69.2 -44.4 10.0 18.1 -19.1 19 19 A M H X S+ 0 0 2 -4,-2.6 4,-3.5 2,-0.2 5,-0.3 0.953 111.8 52.7 -61.8 -48.0 6.9 16.3 -20.2 20 20 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.961 111.3 44.5 -51.6 -59.1 6.3 15.0 -16.7 21 21 A L H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 3,-0.5 0.916 116.1 48.4 -51.6 -48.4 6.5 18.5 -15.2 22 22 A A H ><5S+ 0 0 15 -4,-2.5 3,-2.3 1,-0.2 -1,-0.2 0.937 108.9 51.4 -58.1 -51.4 4.3 19.9 -18.0 23 23 A D H 3<5S+ 0 0 16 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.739 109.8 51.8 -61.3 -21.8 1.7 17.2 -17.7 24 24 A Q T 3<5S- 0 0 59 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.329 117.8-112.8 -97.3 9.1 1.5 17.9 -14.0 25 25 A G T < 5 + 0 0 44 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.782 69.0 144.0 67.8 27.4 1.0 21.6 -14.6 26 26 A Q < - 0 0 66 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.701 37.9-148.0 -98.7 151.3 4.3 22.5 -13.1 27 27 A S - 0 0 98 -2,-0.3 -24,-0.6 -3,-0.1 2,-0.3 -0.749 17.5-178.6-111.9 164.3 6.6 25.3 -14.3 28 28 A W E -a 3 0A 66 -2,-0.3 2,-0.3 -26,-0.1 -24,-0.3 -0.995 29.8-107.7-160.6 156.5 10.4 25.4 -14.2 29 29 A K E -a 4 0A 122 -26,-3.4 -24,-2.5 -2,-0.3 2,-0.6 -0.664 30.2-144.5 -87.3 143.3 13.4 27.6 -15.0 30 30 A E E -a 5 0A 60 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.942 14.9-175.0-112.9 118.7 15.4 26.5 -18.0 31 31 A E E -a 6 0A 86 -26,-3.3 -24,-1.4 -2,-0.6 2,-0.2 -0.810 14.2-162.7-114.3 88.9 19.2 26.9 -17.7 32 32 A V E -a 7 0A 78 -2,-0.7 2,-0.5 -26,-0.2 -24,-0.2 -0.525 4.2-158.4 -76.6 135.4 20.6 26.0 -21.1 33 33 A V - 0 0 11 -26,-2.7 2,-0.1 -2,-0.2 -2,-0.0 -0.960 10.1-146.6-117.2 114.7 24.3 25.2 -21.4 34 34 A T > - 0 0 58 -2,-0.5 4,-2.7 -26,-0.2 5,-0.2 -0.373 25.7-114.1 -75.7 157.6 25.9 25.5 -24.9 35 35 A I H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 118.6 57.9 -59.2 -37.9 28.7 23.2 -25.9 36 36 A D H > S+ 0 0 127 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.963 109.0 42.5 -55.7 -55.0 30.9 26.3 -26.1 37 37 A T H >4 S+ 0 0 61 1,-0.2 3,-1.4 2,-0.2 5,-0.5 0.915 112.8 55.1 -58.5 -43.4 30.2 27.1 -22.4 38 38 A W H >< S+ 0 0 31 -4,-2.7 3,-1.8 1,-0.3 6,-0.3 0.912 103.0 54.3 -58.5 -43.8 30.6 23.4 -21.5 39 39 A M H 3< S+ 0 0 145 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.602 88.0 80.1 -68.5 -8.9 34.1 23.2 -23.0 40 40 A Q T << S- 0 0 126 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.756 96.0-138.6 -67.5 -21.4 35.1 26.2 -20.9 41 41 A G S < S+ 0 0 40 -3,-1.8 -2,-0.1 -4,-0.4 -3,-0.1 0.803 71.9 107.7 69.9 32.1 35.5 23.6 -18.1 42 42 A L S S+ 0 0 125 -5,-0.5 4,-0.2 -4,-0.1 -4,-0.1 0.778 82.4 35.0-105.3 -38.0 34.0 25.7 -15.3 43 43 A L S >> S+ 0 0 39 -6,-0.3 3,-1.6 -5,-0.1 4,-0.5 0.885 106.8 64.7 -83.9 -44.5 30.7 23.9 -14.8 44 44 A K G >4 S+ 0 0 93 -6,-0.3 3,-1.8 1,-0.3 6,-0.3 0.892 99.2 52.9 -47.4 -51.6 31.6 20.3 -15.5 45 45 A P G 34 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.692 105.5 54.9 -62.2 -18.2 34.0 20.0 -12.5 46 46 A T G <4 S+ 0 0 86 -3,-1.6 2,-0.4 -4,-0.2 -2,-0.2 0.490 89.3 97.6 -91.9 -4.9 31.3 21.3 -10.1 47 47 A C S X< S- 0 0 8 -3,-1.8 3,-0.8 -4,-0.5 5,-0.1 -0.688 81.2-128.1 -85.9 134.4 29.0 18.5 -11.4 48 48 A L T 3 S+ 0 0 28 -2,-0.4 -1,-0.1 1,-0.3 293,-0.1 0.891 108.5 16.2 -47.5 -50.4 28.9 15.4 -9.2 49 49 A Y T 3 S- 0 0 44 2,-0.3 -1,-0.3 289,-0.1 3,-0.1 0.207 113.1-106.1-110.9 13.8 29.6 13.0 -12.0 50 50 A G S < S+ 0 0 12 -3,-0.8 2,-0.3 -6,-0.3 -2,-0.1 0.780 87.8 96.7 68.2 28.6 30.8 15.7 -14.4 51 51 A Q - 0 0 122 -7,-0.1 -2,-0.3 2,-0.1 -1,-0.2 -0.926 61.4 -90.3-144.5 168.3 27.7 15.5 -16.5 52 52 A L S S+ 0 0 17 -2,-0.3 -45,-0.1 -3,-0.1 2,-0.1 -0.830 75.2 74.1-120.0 163.5 24.3 17.0 -17.1 53 53 A P - 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.333 59.5-174.3 -68.8 150.1 21.3 17.2 -16.6 54 54 A K E -BC 6 63A 36 -48,-2.8 -48,-3.0 9,-0.2 2,-0.4 -0.953 7.9-156.3-115.0 134.6 21.6 18.9 -13.3 55 55 A F E -BC 5 62A 0 7,-3.4 7,-3.9 -2,-0.4 2,-0.5 -0.946 9.6-168.3-120.4 136.7 18.4 19.5 -11.3 56 56 A E E +BC 4 61A 50 -52,-2.1 -52,-1.6 -2,-0.4 5,-0.2 -0.977 14.3 179.5-126.8 120.8 17.5 22.0 -8.7 57 57 A D - 0 0 26 3,-2.8 2,-1.8 -2,-0.5 3,-0.3 -0.190 65.2 -97.3-105.2 35.2 14.4 21.8 -6.5 58 58 A G S S+ 0 0 53 1,-0.2 -55,-0.1 2,-0.2 3,-0.0 -0.513 116.9 25.6 85.9 -71.8 15.5 25.0 -4.7 59 59 A D S S+ 0 0 140 -2,-1.8 2,-0.5 -58,-0.1 -1,-0.2 0.827 117.4 64.0 -92.5 -37.0 17.1 23.4 -1.7 60 60 A L - 0 0 12 -3,-0.3 -3,-2.8 2,-0.0 2,-0.5 -0.781 64.7-161.2 -95.8 127.6 18.0 20.0 -3.2 61 61 A T E -C 56 0A 54 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.918 18.1-175.7-107.7 129.0 20.5 19.8 -6.1 62 62 A L E -C 55 0A 0 -7,-3.9 -7,-3.4 -2,-0.5 2,-0.3 -0.876 16.4-171.7-127.3 160.5 20.4 16.5 -8.1 63 63 A Y E +C 54 0A 24 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.908 51.1 67.2-140.2 163.0 22.2 14.7 -11.0 64 64 A Q > - 0 0 25 -11,-0.8 4,-2.1 -2,-0.3 3,-0.2 0.758 69.6-126.7 84.6 107.0 21.4 11.6 -13.0 65 65 A S H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.827 107.7 46.6 -50.6 -42.4 18.3 11.8 -15.2 66 66 A N H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.887 109.4 54.1 -72.5 -36.0 16.6 8.7 -13.9 67 67 A A H > S+ 0 0 0 1,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.882 110.2 49.4 -63.0 -35.8 17.2 9.7 -10.3 68 68 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.909 109.8 49.3 -69.4 -41.7 15.5 13.0 -11.2 69 69 A L H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.902 112.0 49.3 -62.2 -42.1 12.5 11.3 -12.8 70 70 A R H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.868 108.6 53.0 -64.9 -38.1 12.1 9.1 -9.7 71 71 A H H X S+ 0 0 9 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.904 112.7 44.7 -63.5 -42.4 12.3 12.1 -7.4 72 72 A L H < S+ 0 0 0 -4,-2.1 4,-0.3 2,-0.2 6,-0.2 0.898 113.0 50.0 -69.3 -41.8 9.6 13.8 -9.3 73 73 A G H ><>S+ 0 0 0 -4,-2.6 5,-3.2 1,-0.2 3,-0.6 0.888 115.3 44.4 -64.2 -37.9 7.4 10.7 -9.5 74 74 A R H ><5S+ 0 0 48 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.913 116.4 44.1 -73.5 -43.5 7.8 10.1 -5.8 75 75 A S T 3<5S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.260 119.0 44.0 -87.3 13.9 7.2 13.8 -4.8 76 76 A L T < 5S- 0 0 43 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.289 114.5-102.5-136.8 6.1 4.2 14.2 -7.2 77 77 A G T < 5S+ 0 0 49 -3,-0.6 -3,-0.2 -4,-0.4 3,-0.2 0.824 85.8 119.4 74.4 33.8 2.2 11.0 -6.7 78 78 A L < + 0 0 10 -5,-3.2 72,-2.1 -6,-0.2 73,-0.3 -0.332 46.4 87.2-123.5 48.4 3.4 9.3 -9.9 79 79 A Y S S- 0 0 22 1,-0.5 -1,-0.1 70,-0.2 10,-0.1 0.005 96.4 -89.4-137.3 30.4 5.0 6.2 -8.4 80 80 A G - 0 0 19 68,-0.2 -1,-0.5 -3,-0.2 65,-0.1 -0.143 36.3 -92.4 87.4 174.7 2.2 3.6 -8.1 81 81 A K S S+ 0 0 159 -3,-0.1 2,-0.2 66,-0.0 -1,-0.1 0.613 98.9 12.6-103.6 -16.6 -0.2 2.9 -5.2 82 82 A N S > S- 0 0 76 -3,-0.1 4,-1.2 1,-0.0 5,-0.1 -0.771 87.7 -87.9-143.5-172.5 1.8 0.2 -3.4 83 83 A Q H > S+ 0 0 92 -2,-0.2 4,-2.0 2,-0.2 5,-0.1 0.763 119.5 57.6 -75.0 -28.9 5.3 -1.4 -3.2 84 84 A R H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 108.4 45.3 -69.4 -43.1 4.5 -3.9 -5.9 85 85 A E H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 111.6 53.7 -67.3 -35.1 3.7 -1.3 -8.5 86 86 A A H X S+ 0 0 6 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.908 108.3 49.1 -65.0 -42.8 6.8 0.7 -7.5 87 87 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.909 113.1 48.0 -62.9 -42.6 9.1 -2.3 -8.0 88 88 A Q H X S+ 0 0 53 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.862 106.9 54.3 -67.8 -37.9 7.5 -2.9 -11.4 89 89 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.837 109.8 50.2 -64.8 -31.4 7.8 0.7 -12.5 90 90 A D H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.928 107.5 51.5 -69.7 -46.8 11.5 0.5 -11.7 91 91 A M H X S+ 0 0 13 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.856 113.3 47.9 -57.2 -35.5 11.9 -2.7 -13.7 92 92 A V H >X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 3,-0.5 0.970 111.1 48.1 -68.8 -55.2 10.2 -0.8 -16.5 93 93 A N H 3X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 -2,-0.2 0.846 107.3 56.6 -55.8 -39.0 12.4 2.3 -16.2 94 94 A D H 3X S+ 0 0 15 -4,-2.9 4,-2.0 1,-0.2 -1,-0.3 0.892 108.1 47.9 -60.7 -39.7 15.6 0.2 -16.1 95 95 A G H S+ 0 0 84 -4,-1.9 4,-2.6 2,-0.2 5,-0.8 0.929 114.2 46.2 -58.5 -45.0 25.8 5.4 -28.5 106 106 A L H X5S+ 0 0 11 -4,-2.3 4,-1.4 3,-0.2 5,-0.4 0.978 113.5 47.2 -59.6 -59.4 24.3 5.0 -32.0 107 107 A I H <5S+ 0 0 1 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.874 126.0 28.3 -51.5 -45.3 23.3 8.6 -32.4 108 108 A Y H <5S+ 0 0 103 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.666 131.4 29.0 -95.4 -16.7 26.6 10.0 -31.3 109 109 A T H <5S+ 0 0 104 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.751 130.7 4.3-115.9 -34.9 29.1 7.3 -32.2 110 110 A N X< + 0 0 62 -4,-1.4 4,-2.3 -5,-0.8 5,-0.4 -0.095 66.3 142.4-153.2 50.1 28.1 5.2 -35.2 111 111 A Y H > S+ 0 0 40 -5,-0.4 4,-2.1 -4,-0.3 5,-0.2 0.935 77.6 45.6 -56.0 -54.6 24.9 6.5 -36.8 112 112 A E H 4 S+ 0 0 118 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.964 124.2 29.6 -55.7 -62.6 25.9 5.8 -40.4 113 113 A N H 4 S+ 0 0 127 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.668 127.3 42.0 -75.9 -18.9 27.3 2.3 -40.1 114 114 A G H X S+ 0 0 12 -4,-2.3 4,-2.3 -8,-0.2 3,-0.4 0.742 88.4 80.8-103.3 -23.7 25.1 1.2 -37.2 115 115 A K H X S+ 0 0 66 -4,-2.1 4,-2.7 -5,-0.4 5,-0.3 0.885 90.4 55.2 -50.4 -47.8 21.6 2.4 -37.8 116 116 A N H > S+ 0 0 103 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.922 113.5 41.5 -54.1 -46.3 20.7 -0.4 -40.2 117 117 A D H > S+ 0 0 92 -3,-0.4 4,-1.4 -4,-0.3 -1,-0.2 0.836 113.6 54.9 -70.4 -32.2 21.7 -3.0 -37.6 118 118 A Y H X S+ 0 0 29 -4,-2.3 4,-1.6 2,-0.2 3,-0.3 0.946 106.9 46.9 -66.7 -51.6 20.0 -1.0 -34.8 119 119 A V H < S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.0 52.9 -58.9 -38.0 16.6 -0.7 -36.4 120 120 A K H < S+ 0 0 129 -4,-1.3 4,-0.3 -5,-0.3 -1,-0.2 0.842 113.8 41.5 -68.7 -32.4 16.6 -4.4 -37.2 121 121 A A H X S+ 0 0 35 -4,-1.4 4,-0.6 -3,-0.3 3,-0.4 0.636 96.1 86.2 -87.3 -14.9 17.4 -5.3 -33.6 122 122 A L H >X S+ 0 0 2 -4,-1.6 3,-1.4 1,-0.2 4,-0.9 0.861 78.2 60.3 -54.0 -44.8 14.9 -2.7 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56.6 -60.2 -45.3 12.0 11.8 -0.0 294 84 B R H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.912 112.2 41.9 -56.2 -45.1 15.1 14.0 0.1 295 85 B E H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.817 111.6 55.9 -72.2 -32.1 17.2 11.0 1.1 296 86 B A H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.931 109.6 45.5 -65.6 -44.9 15.5 8.7 -1.3 297 87 B A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.900 113.1 51.0 -64.4 -40.8 16.3 11.0 -4.2 298 88 B Q H X S+ 0 0 49 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.875 109.1 51.1 -64.0 -38.8 19.9 11.3 -3.0 299 89 B M H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.884 108.5 50.4 -67.5 -39.9 20.2 7.5 -2.7 300 90 B D H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.876 107.5 55.1 -65.2 -34.7 19.0 7.0 -6.3 301 91 B M H X S+ 0 0 14 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.892 111.9 44.1 -63.1 -39.2 21.5 9.6 -7.4 302 92 B V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.964 113.1 49.2 -69.1 -54.1 24.2 7.5 -5.8 303 93 B N H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.852 109.2 52.4 -55.3 -38.9 23.0 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314 104 B V H X S+ 0 0 43 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.916 108.8 54.7 -60.7 -41.5 31.7 -4.9 -17.2 315 105 B T H X S+ 0 0 82 -4,-1.9 4,-2.1 -5,-0.2 5,-0.5 0.919 110.6 46.2 -58.9 -44.3 32.6 -3.6 -20.6 316 106 B L H X S+ 0 0 7 -4,-2.1 4,-2.0 3,-0.2 3,-0.2 0.993 114.8 46.4 -60.5 -60.3 36.3 -3.7 -19.6 317 107 B I H < S+ 0 0 1 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.864 123.4 31.0 -48.3 -49.4 36.1 -7.2 -18.1 318 108 B Y H < S+ 0 0 102 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.674 131.8 22.0 -90.8 -19.5 34.1 -8.8 -21.0 319 109 B T H < S+ 0 0 107 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.489 132.1 12.7-129.9 -1.8 35.2 -6.9 -24.1 320 110 B N X + 0 0 75 -4,-2.0 4,-1.4 -5,-0.5 5,-0.2 0.050 67.8 139.7-169.6 45.8 38.6 -5.2 -23.7 321 111 B Y H > S+ 0 0 35 -4,-0.3 4,-1.4 1,-0.2 -4,-0.1 0.943 76.9 39.4 -61.9 -56.4 40.4 -6.4 -20.6 322 112 B E H 4 S+ 0 0 141 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.836 124.1 36.5 -67.7 -35.6 44.0 -6.6 -21.9 323 113 B N H 4 S+ 0 0 136 -7,-0.1 4,-0.2 1,-0.1 -1,-0.2 0.601 124.5 37.5 -95.4 -10.7 44.0 -3.5 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14.0 3.0 345 135 B Q T 3< S+ 0 0 151 -4,-1.3 2,-0.6 -3,-0.3 -1,-0.3 0.481 100.2 70.8 -89.8 -3.2 29.4 15.9 2.8 346 136 B N T X4>S- 0 0 26 -3,-1.7 3,-1.9 -4,-0.3 5,-0.7 -0.817 131.8 -41.4-118.8 93.2 27.6 13.4 5.0 347 137 B Q G >45S- 0 0 121 -2,-0.6 3,-1.1 1,-0.3 -2,-0.1 0.829 108.3 -65.2 60.2 32.2 28.7 13.6 8.6 348 138 B G G 3<5S- 0 0 50 -4,-0.5 -1,-0.3 1,-0.2 -4,-0.2 0.471 91.9 -66.4 71.4 -0.9 32.3 14.0 7.4 349 139 B G G < 5S+ 0 0 2 -3,-1.9 -1,-0.2 -6,-0.4 -2,-0.2 0.690 106.2 117.9 94.7 22.0 32.1 10.5 6.0 350 140 B K T < 5S+ 0 0 146 -3,-1.1 -3,-0.1 -4,-0.4 -2,-0.1 0.528 75.8 38.8 -96.0 -7.6 31.8 8.5 9.2 351 141 B A S > - 0 0 0 -70,-0.1 4,-1.2 -4,-0.1 3,-1.1 -0.877 43.3 -95.1-136.3 168.5 20.5 1.7 2.4 360 150 B F H 3> S+ 0 0 0 -72,-2.6 4,-1.7 -2,-0.3 5,-0.2 0.824 121.5 63.8 -55.3 -31.9 20.5 -0.4 -0.8 361 151 B A H 3> S+ 0 0 0 -73,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.878 97.6 55.0 -62.1 -37.0 22.8 2.2 -2.3 362 152 B D H <> S+ 0 0 0 -3,-1.1 4,-3.6 1,-0.2 5,-0.3 0.943 105.7 50.9 -60.5 -50.1 25.6 1.3 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163 B Q H << S+ 0 0 62 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.725 107.4 48.6 -79.6 -22.2 40.2 -3.2 -5.3 374 164 B V H < S+ 0 0 64 -4,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.854 115.0 44.9 -80.5 -38.5 40.8 -6.7 -6.9 375 165 B L H < S+ 0 0 3 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.2 0.920 133.7 16.5 -70.4 -44.0 41.1 -5.1 -10.3 376 166 B A S >< S- 0 0 10 -4,-2.7 3,-1.8 -5,-0.1 -1,-0.3 -0.718 83.0-144.5-134.8 85.0 43.4 -2.3 -9.1 377 167 B P T 3 S+ 0 0 115 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.200 87.5 15.7 -50.3 124.9 45.0 -3.0 -5.6 378 168 B G T > S+ 0 0 34 -5,-0.1 3,-1.9 1,-0.0 4,-0.3 0.626 77.4 137.0 84.7 14.9 45.2 0.2 -3.7 379 169 B C T < S+ 0 0 22 -3,-1.8 3,-0.3 1,-0.3 -6,-0.1 0.675 75.9 52.6 -67.6 -14.2 42.9 2.3 -5.9 380 170 B L T > S+ 0 0 2 -4,-0.2 3,-2.1 1,-0.2 7,-0.3 0.383 77.6 100.1-100.3 4.4 41.5 3.6 -2.6 381 171 B D T < S+ 0 0 126 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.819 87.5 44.3 -57.3 -32.8 44.8 4.7 -1.3 382 172 B N T 3 S+ 0 0 142 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.180 105.0 70.3 -97.5 14.8 44.1 8.3 -2.3 383 173 B F <> + 0 0 14 -3,-2.1 4,-2.3 1,-0.1 -1,-0.2 -0.739 55.9 175.3-134.6 83.0 40.6 8.2 -1.0 384 174 B P H > S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.831 81.6 48.2 -56.9 -40.1 40.6 8.1 2.9 385 175 B L H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.952 113.8 46.0 -68.8 -48.2 36.9 8.3 3.3 386 176 B L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.837 114.1 49.7 -63.3 -34.1 36.2 5.5 0.7 387 177 B S H X S+ 0 0 39 -4,-2.3 4,-2.4 -7,-0.3 5,-0.2 0.967 114.8 41.6 -68.5 -53.1 38.9 3.3 2.2 388 178 B A H X S+ 0 0 47 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.813 112.6 58.0 -63.3 -31.1 37.7 3.6 5.8 389 179 B Y H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.958 107.7 45.0 -64.1 -51.0 34.1 3.3 4.5 390 180 B V H X S+ 0 0 6 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.954 114.9 46.8 -58.7 -51.9 34.8 -0.1 2.9 391 181 B A H X S+ 0 0 61 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.905 113.3 51.1 -56.3 -43.3 36.7 -1.4 6.0 392 182 B R H < S+ 0 0 79 -4,-2.4 4,-0.4 -5,-0.2 3,-0.3 0.949 116.4 37.9 -59.9 -53.5 33.9 -0.1 8.2 393 183 B L H >< S+ 0 0 2 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39 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.713 117.4 36.6 -57.0 -20.9 32.3 -12.0 2.5 404 194 B S H 3< S+ 0 0 84 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.410 89.7 120.8-111.4 1.5 34.0 -15.1 3.9 405 195 B S S S+ 0 0 96 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.897 109.5 56.4 -56.5 -42.8 31.9 -20.5 1.1 407 197 B E H 4 S+ 0 0 63 1,-0.2 4,-0.3 2,-0.2 -5,-0.1 0.892 113.3 40.8 -58.2 -41.1 29.1 -19.7 -1.4 408 198 B H H >4 S+ 0 0 16 -6,-0.3 3,-0.9 -3,-0.3 -1,-0.2 0.924 117.5 47.3 -70.6 -49.1 30.5 -16.2 -1.9 409 199 B V H 3< S+ 0 0 79 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.899 110.0 52.1 -60.6 -44.7 34.1 -17.4 -2.0 410 200 B N T 3< S+ 0 0 132 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.567 95.1 87.9 -70.4 -9.9 33.5 -20.3 -4.4 411 201 B R S < S- 0 0 26 -3,-0.9 -191,-0.2 -4,-0.3 -190,-0.0 -0.805 79.6-130.2 -96.0 121.8 31.7 -17.9 -6.8 412 202 B P - 0 0 62 0, 0.0 -191,-2.0 0, 0.0 -190,-0.2 -0.257 17.0-122.2 -64.8 159.6 34.0 -16.2 -9.3 413 203 B I S S+ 0 0 10 -193,-0.2 -191,-2.5 -192,-0.2 2,-0.3 0.947 90.0 12.8 -65.4 -49.2 33.6 -12.4 -9.7 414 204 B N S > S- 0 0 5 4,-0.2 3,-1.1 -193,-0.2 -1,-0.1 -0.806 79.4-105.1-128.8 168.2 32.8 -12.6 -13.4 415 205 B G T 3 S+ 0 0 52 -2,-0.3 -1,-0.0 1,-0.2 -97,-0.0 0.616 115.1 44.3 -67.0 -17.8 31.8 -15.1 -16.1 416 206 B N T 3 S- 0 0 65 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.215 108.8-114.6-112.2 11.3 35.2 -15.2 -17.9 417 207 B G S < S+ 0 0 54 -3,-1.1 2,-0.1 1,-0.2 -4,-0.1 0.257 72.9 130.3 77.3 -15.4 37.4 -15.5 -14.8 418 208 B K 0 0 63 -101,-0.1 -1,-0.2 -6,-0.1 -2,-0.2 -0.468 360.0 360.0 -74.6 144.6 39.0 -12.1 -15.3 419 209 B Q 0 0 92 -2,-0.1 -47,-0.1 -45,-0.1 -48,-0.0 -0.940 360.0 360.0-154.4 360.0 39.1 -9.7 -12.4