==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUN-05 2A2R . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE P; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.J.PARKER,C.J.MORTON,J.J.ADAMS,M.W.PARKER . 421 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 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 . 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 . 17 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 45.8 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 2 2 2 0 2 2 0 3 1 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 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 PARALLEL BRIDGES PER LADDER . 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 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 0 A M 0 0 196 0, 0.0 29,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.6 28.8 -0.6 43.0 2 1 A P - 0 0 40 0, 0.0 57,-0.1 0, 0.0 27,-0.1 -0.340 360.0-133.9 -66.8 149.1 28.9 -0.3 39.2 3 2 A P S S+ 0 0 70 0, 0.0 56,-2.5 0, 0.0 2,-0.4 0.772 89.3 65.4 -74.0 -22.9 29.7 3.1 37.7 4 3 A Y E -aB 29 58A 18 24,-0.7 26,-2.8 54,-0.2 2,-0.4 -0.843 60.3-179.3-106.5 136.4 26.8 2.7 35.2 5 4 A T E -aB 30 57A 16 52,-2.1 52,-2.5 -2,-0.4 2,-0.5 -0.998 12.9-156.5-134.2 129.7 23.1 2.5 36.1 6 5 A V E -aB 31 56A 1 24,-3.1 26,-3.4 -2,-0.4 2,-0.6 -0.927 7.4-166.8-105.5 121.4 20.3 2.0 33.6 7 6 A V E +aB 32 55A 7 48,-3.0 48,-2.1 -2,-0.5 2,-0.3 -0.939 34.8 125.2-109.6 112.6 16.9 3.3 34.9 8 7 A Y E -a 33 0A 4 24,-1.9 26,-2.4 -2,-0.6 -2,-0.0 -0.960 61.4 -80.8-159.7 169.6 14.1 2.0 32.6 9 8 A F - 0 0 26 -2,-0.3 2,-2.5 24,-0.2 26,-0.2 -0.325 62.6 -89.6 -70.7 162.0 10.8 0.2 32.3 10 9 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.361 96.5 92.4 -76.4 64.0 11.0 -3.7 32.3 11 10 A V S S- 0 0 9 -2,-2.5 193,-0.2 1,-0.2 194,-0.1 -0.926 77.7-124.8-146.0 166.8 11.4 -3.9 28.5 12 11 A R S >> S+ 0 0 40 191,-2.5 3,-2.3 -2,-0.3 4,-0.8 0.957 70.9 119.1 -77.6 -59.7 14.3 -4.0 25.9 13 12 A G G >4 S- 0 0 9 191,-2.8 3,-1.0 1,-0.3 4,-0.4 0.058 86.7 -6.0 37.7-128.8 13.0 -1.0 23.9 14 13 A R G 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.331 135.0 57.4 -80.7 7.1 15.3 1.9 23.7 15 14 A C G <> S+ 0 0 0 -3,-2.3 4,-2.0 2,-0.1 -1,-0.2 0.458 80.3 89.2-111.2 -5.1 17.8 0.4 26.1 16 15 A A H S+ 0 0 4 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.938 113.1 49.0 -63.6 -47.9 21.2 -1.4 22.0 18 17 A L H > S+ 0 0 1 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.844 111.3 51.7 -63.5 -30.3 23.1 0.3 24.8 19 18 A R H X S+ 0 0 11 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.901 108.8 49.3 -71.5 -41.2 22.9 -2.9 26.9 20 19 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.901 111.9 51.0 -61.4 -40.4 24.3 -5.0 24.0 21 20 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.964 111.6 45.8 -60.5 -53.2 27.1 -2.4 23.7 22 21 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 -2,-0.2 0.921 116.1 45.4 -57.7 -47.2 27.9 -2.6 27.5 23 22 A A H ><5S+ 0 0 15 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.935 112.9 49.3 -64.0 -45.9 27.8 -6.4 27.5 24 23 A D H 3<5S+ 0 0 13 -4,-2.8 165,-0.2 1,-0.3 -1,-0.2 0.771 110.5 51.3 -66.2 -26.1 29.9 -6.8 24.4 25 24 A Q T 3<5S- 0 0 53 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.268 116.5-115.0 -92.8 9.3 32.5 -4.4 25.7 26 25 A G T < 5 + 0 0 47 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.780 61.5 157.8 63.8 30.6 32.7 -6.3 29.0 27 26 A Q < - 0 0 66 -5,-3.0 2,-0.4 -6,-0.2 -1,-0.2 -0.539 37.8-129.5 -89.9 154.0 31.3 -3.4 31.0 28 27 A S + 0 0 64 -2,-0.2 -24,-0.7 2,-0.0 2,-0.3 -0.852 35.1 159.0-104.3 134.3 29.6 -3.6 34.4 29 28 A W E -a 4 0A 39 -2,-0.4 2,-0.3 -26,-0.1 -24,-0.2 -0.992 32.6-126.1-151.7 159.6 26.3 -1.9 35.1 30 29 A K E -a 5 0A 77 -26,-2.8 -24,-3.1 -2,-0.3 2,-0.6 -0.827 17.2-141.3-106.8 143.5 23.2 -1.9 37.3 31 30 A E E -a 6 0A 55 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.923 12.7-170.5-106.2 118.6 19.6 -2.2 36.2 32 31 A E E -a 7 0A 85 -26,-3.4 -24,-1.9 -2,-0.6 2,-0.4 -0.944 17.5-150.4-108.0 109.6 17.1 -0.1 38.1 33 32 A V E -a 8 0A 82 -2,-0.7 2,-0.5 -26,-0.2 -24,-0.2 -0.675 9.5-162.0 -88.9 134.0 13.6 -1.1 37.1 34 33 A V - 0 0 8 -26,-2.4 2,-0.2 -2,-0.4 -2,-0.0 -0.962 12.9-146.2-114.7 119.8 10.7 1.2 37.0 35 34 A T > - 0 0 66 -2,-0.5 4,-2.4 -26,-0.2 5,-0.2 -0.501 24.2-116.6 -83.7 155.0 7.2 -0.3 37.0 36 35 A V H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.860 118.6 54.8 -55.8 -35.8 4.3 1.3 35.1 37 36 A E H > S+ 0 0 141 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.936 108.3 45.8 -63.1 -49.3 2.6 1.6 38.6 38 37 A T H >> S+ 0 0 72 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.846 111.4 53.9 -63.0 -35.4 5.6 3.5 40.1 39 38 A W H >< S+ 0 0 23 -4,-2.4 3,-1.1 1,-0.2 6,-0.3 0.887 101.2 58.3 -66.8 -39.4 5.7 5.7 37.0 40 39 A Q H 3< S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.714 89.4 76.4 -63.6 -19.5 2.0 6.6 37.4 41 40 A E H << S- 0 0 143 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.903 93.1-144.6 -57.2 -43.4 3.0 7.9 40.8 42 41 A G S S+ 0 0 82 -5,-0.2 4,-1.1 2,-0.2 -4,-0.1 0.950 88.2 38.6 -54.8 -58.9 7.4 11.6 41.4 44 43 A L H >> S+ 0 0 36 -6,-0.4 3,-0.8 1,-0.2 4,-0.7 0.939 116.1 52.3 -59.6 -49.0 10.1 10.0 39.2 45 44 A K H >4 S+ 0 0 76 -6,-0.3 3,-1.0 1,-0.3 6,-0.2 0.889 107.6 51.5 -54.9 -44.0 8.6 11.3 36.0 46 45 A A H 3< S+ 0 0 89 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.768 108.9 52.7 -65.8 -24.7 8.5 14.9 37.2 47 46 A S H << S+ 0 0 68 -4,-1.1 2,-0.4 -3,-0.8 -1,-0.2 0.551 88.0 98.2 -87.5 -10.4 12.2 14.6 38.2 48 47 A C S X< S- 0 0 7 -3,-1.0 3,-1.9 -4,-0.7 5,-0.1 -0.659 81.3-125.1 -81.5 134.5 13.2 13.4 34.7 49 48 A L T 3 S+ 0 0 29 -2,-0.4 -1,-0.1 1,-0.3 293,-0.1 0.858 109.7 17.7 -44.0 -51.8 14.6 16.2 32.5 50 49 A Y T 3 S- 0 0 43 2,-0.3 -1,-0.3 289,-0.1 3,-0.1 0.079 114.1-105.4-110.5 20.9 12.1 15.5 29.7 51 50 A G S < S+ 0 0 14 -3,-1.9 2,-0.3 -6,-0.2 -2,-0.1 0.723 88.1 94.7 64.4 24.3 9.7 13.6 31.8 52 51 A Q - 0 0 42 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.912 63.1 -86.4-142.8 168.1 10.7 10.3 30.2 53 52 A L S S+ 0 0 0 -2,-0.3 2,-0.1 -3,-0.1 -45,-0.1 -0.795 75.1 73.7-113.6 162.2 13.0 7.2 30.5 54 53 A P - 0 0 1 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.380 56.6-179.8 -70.3 155.8 15.6 5.9 30.0 55 54 A K E -BC 7 64A 34 -48,-2.1 -48,-3.0 9,-0.2 2,-0.4 -0.944 8.3-164.2-120.5 140.7 17.6 7.7 32.6 56 55 A F E -BC 6 63A 0 7,-2.9 7,-3.4 -2,-0.4 2,-0.4 -0.994 8.4-157.6-135.2 139.0 21.3 6.7 32.8 57 56 A Q E +BC 5 62A 60 -52,-2.5 -52,-2.1 -2,-0.4 2,-0.5 -0.957 12.2 177.5-120.6 131.2 23.9 7.3 35.5 58 57 A D E > S-BC 4 61A 39 3,-2.6 3,-2.2 -2,-0.4 -54,-0.2 -0.883 75.4 -57.6-126.3 94.2 27.7 7.3 35.0 59 58 A G T 3 S- 0 0 51 -56,-2.5 -1,-0.1 -2,-0.5 -54,-0.1 -0.493 121.3 -19.4 64.2-134.3 29.0 8.2 38.4 60 59 A D T 3 S+ 0 0 149 -2,-0.1 2,-0.7 -3,-0.1 -1,-0.3 0.335 115.4 106.8 -86.8 8.5 27.4 11.5 39.3 61 60 A L E < -C 58 0A 13 -3,-2.2 -3,-2.6 2,-0.0 2,-0.6 -0.796 54.6-163.8 -90.2 117.7 26.6 12.2 35.6 62 61 A T E -C 57 0A 55 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.910 11.4-177.5-106.2 120.2 22.9 11.8 35.0 63 62 A L E -C 56 0A 0 -7,-3.4 -7,-2.9 -2,-0.6 2,-0.3 -0.809 13.4-170.2-117.3 155.7 21.8 11.5 31.4 64 63 A Y E +C 55 0A 24 -2,-0.3 -9,-0.2 -9,-0.2 242,-0.1 -0.877 51.1 67.4-132.2 165.6 18.5 11.2 29.5 65 64 A Q >> - 0 0 6 -11,-0.8 4,-2.1 -2,-0.3 3,-0.9 0.753 70.0-125.6 84.5 110.4 17.9 10.4 25.8 66 65 A S H 3> S+ 0 0 3 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.853 110.4 48.5 -52.5 -42.3 18.8 6.9 24.5 67 66 A N H 3> S+ 0 0 8 355,-0.4 4,-2.3 2,-0.2 -1,-0.3 0.757 106.9 57.0 -73.0 -23.6 21.0 8.2 21.7 68 67 A T H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.905 108.2 47.8 -69.7 -40.8 22.8 10.5 24.2 69 68 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.931 111.8 49.9 -65.0 -43.0 23.6 7.4 26.2 70 69 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.920 113.3 45.2 -61.2 -45.2 24.8 5.6 23.1 71 70 A R H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.882 111.8 52.7 -67.1 -37.9 27.0 8.5 22.0 72 71 A H H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.943 113.6 42.4 -62.4 -48.8 28.4 8.9 25.5 73 72 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 6,-0.2 0.872 113.3 54.0 -65.9 -35.8 29.4 5.2 25.7 74 73 A G H <>S+ 0 0 0 -4,-2.3 5,-3.0 -5,-0.3 4,-0.4 0.906 111.7 45.1 -64.0 -40.0 30.7 5.4 22.1 75 74 A R H ><5S+ 0 0 46 -4,-2.5 3,-0.8 3,-0.2 -2,-0.2 0.964 117.8 41.5 -66.6 -53.8 32.9 8.3 23.0 76 75 A T H 3<5S+ 0 0 42 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.808 119.4 43.0 -68.3 -31.8 34.2 6.9 26.3 77 76 A L T 3<5S- 0 0 42 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.328 113.2-108.8 -99.7 7.4 34.7 3.3 25.1 78 77 A G T < 5S+ 0 0 46 -3,-0.8 -3,-0.2 -4,-0.4 3,-0.2 0.886 78.7 127.0 70.4 41.7 36.3 4.1 21.7 79 78 A L < + 0 0 6 -5,-3.0 72,-2.4 -6,-0.2 73,-0.3 -0.340 44.4 90.4-122.9 50.0 33.3 3.1 19.5 80 79 A Y S S- 0 0 23 1,-0.5 -1,-0.1 -6,-0.2 10,-0.1 -0.104 97.1 -80.8-137.8 35.3 33.0 6.3 17.5 81 80 A G - 0 0 19 68,-0.3 -1,-0.5 -3,-0.2 65,-0.1 0.033 42.8 -88.6 85.7 164.5 35.2 5.8 14.4 82 81 A K S S+ 0 0 135 -3,-0.1 2,-0.3 66,-0.1 -1,-0.1 0.702 103.1 1.3 -84.4 -22.2 38.9 6.2 13.9 83 82 A D S > S- 0 0 66 -3,-0.1 4,-2.2 1,-0.0 5,-0.1 -0.868 88.9 -80.8-150.9-176.8 38.7 9.9 13.1 84 83 A Q H > S+ 0 0 96 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.869 124.0 54.9 -62.1 -38.4 36.3 12.8 12.7 85 84 A Q H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.930 111.2 44.0 -61.8 -45.6 35.3 11.7 9.2 86 85 A E H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 107.8 59.8 -67.9 -35.0 34.3 8.3 10.4 87 86 A A H X S+ 0 0 5 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.897 105.1 49.6 -59.2 -40.3 32.6 9.8 13.5 88 87 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.898 109.8 50.2 -65.7 -41.0 30.3 11.7 11.1 89 88 A L H X S+ 0 0 51 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.885 108.9 52.7 -64.7 -38.0 29.5 8.6 9.2 90 89 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.920 110.1 48.0 -62.3 -43.6 28.7 6.8 12.4 91 90 A D H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.909 108.3 54.9 -62.7 -41.9 26.3 9.6 13.3 92 91 A M H X S+ 0 0 11 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.891 111.0 45.4 -59.8 -40.2 24.7 9.4 9.9 93 92 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.949 113.2 49.1 -68.1 -48.5 24.0 5.7 10.4 94 93 A N H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.889 109.3 51.5 -60.9 -39.4 22.7 6.2 13.9 95 94 A D H X S+ 0 0 10 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.870 110.4 50.1 -65.4 -34.8 20.3 9.0 12.9 96 95 A G H X S+ 0 0 3 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.908 110.5 49.0 -67.3 -42.2 19.0 6.8 10.2 97 96 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.930 110.7 51.5 -61.4 -43.7 18.5 4.0 12.7 98 97 A E H X S+ 0 0 27 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.903 105.8 54.7 -61.0 -42.6 16.7 6.4 15.0 99 98 A D H X S+ 0 0 34 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.924 113.1 41.7 -58.3 -45.6 14.4 7.6 12.2 100 99 A L H X S+ 0 0 4 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.885 111.5 55.4 -71.2 -35.8 13.2 4.0 11.5 101 100 A R H X S+ 0 0 10 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.891 105.6 53.5 -61.8 -37.2 13.0 3.2 15.2 102 101 A C H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.896 110.2 46.1 -63.0 -41.0 10.7 6.2 15.6 103 102 A K H X S+ 0 0 93 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.892 113.0 51.0 -67.2 -41.0 8.4 4.8 12.9 104 103 A Y H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.933 111.3 47.1 -61.1 -48.5 8.6 1.3 14.4 105 104 A I H X S+ 0 0 25 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.911 109.2 54.3 -61.4 -43.3 7.7 2.7 17.9 106 105 A S H X>S+ 0 0 62 -4,-2.3 4,-2.1 -5,-0.2 5,-0.7 0.888 111.0 46.7 -58.1 -40.2 4.8 4.7 16.4 107 106 A L H X5S+ 0 0 10 -4,-1.9 4,-1.2 3,-0.2 -2,-0.2 0.967 113.8 46.6 -66.0 -53.1 3.5 1.5 14.8 108 107 A I H <5S+ 0 0 0 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.869 125.2 28.5 -57.5 -41.8 3.8 -0.6 17.9 109 108 A Y H <5S+ 0 0 86 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.696 130.4 23.6 -99.7 -21.8 2.2 1.9 20.3 110 109 A T H <5S+ 0 0 104 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.562 131.9 8.7-124.5 -9.8 -0.3 4.1 18.4 111 110 A N X< + 0 0 79 -4,-1.2 4,-0.7 -5,-0.7 -3,-0.1 -0.091 68.8 139.1-169.1 56.4 -1.5 2.2 15.3 112 111 A Y H > S+ 0 0 33 -4,-0.3 4,-1.8 2,-0.2 3,-0.5 0.970 76.1 44.8 -70.5 -58.0 -0.4 -1.4 15.1 113 112 A E H 4 S+ 0 0 139 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.908 122.2 36.2 -54.5 -49.3 -3.6 -3.1 13.8 114 113 A A H 4 S+ 0 0 77 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.551 124.6 39.8 -86.0 -7.1 -4.3 -0.5 11.1 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1,-0.2 -1,-0.2 0.886 105.8 53.1 -62.8 -36.3 11.2 19.8 16.7 312 101 B C H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.900 109.8 46.9 -64.4 -41.1 9.6 16.5 15.7 313 102 B K H X S+ 0 0 89 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.894 112.4 50.8 -66.8 -39.7 6.4 17.3 17.5 314 103 B Y H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.934 110.3 49.2 -62.5 -46.2 6.4 20.8 15.9 315 104 B I H X S+ 0 0 28 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.897 109.4 51.7 -61.0 -42.3 6.9 19.2 12.5 316 105 B S H X>S+ 0 0 63 -4,-2.3 4,-2.1 2,-0.2 5,-0.8 0.930 112.5 46.8 -60.5 -45.1 4.1 16.8 13.0 317 106 B L H X5S+ 0 0 8 -4,-2.3 4,-1.5 3,-0.2 5,-0.4 0.971 115.1 45.2 -59.4 -56.5 1.8 19.7 14.0 318 107 B I H <5S+ 0 0 0 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.894 124.0 30.9 -55.6 -48.3 2.8 21.9 11.1 319 108 B Y H <5S+ 0 0 82 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.634 132.9 20.2 -92.4 -16.0 2.6 19.2 8.4 320 109 B T H <5S+ 0 0 102 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.608 131.8 14.1-129.8 -15.7 -0.1 16.9 9.5 321 110 B N X< + 0 0 80 -4,-1.5 4,-2.4 -5,-0.8 5,-0.3 0.054 69.2 134.1-156.3 37.2 -2.5 18.4 12.1 322 111 B Y H > S+ 0 0 34 -5,-0.4 4,-2.0 -4,-0.3 5,-0.2 0.947 76.3 44.4 -57.2 -58.3 -2.1 22.2 12.3 323 112 B E H 4 S+ 0 0 138 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.933 127.0 27.7 -54.5 -54.5 -5.7 23.3 12.3 324 113 B A H 4 S+ 0 0 67 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.731 125.2 47.1 -83.3 -23.6 -7.0 20.7 14.8 325 114 B G H X S+ 0 0 9 -4,-2.4 4,-2.4 -8,-0.2 -3,-0.2 0.658 86.3 82.0 -95.7 -16.3 -3.8 20.2 16.8 326 115 B K H X S+ 0 0 72 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.888 87.4 59.0 -56.3 -42.4 -2.6 23.7 17.5 327 116 B D H > S+ 0 0 78 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.946 113.3 35.4 -52.5 -56.6 -4.9 24.2 20.4 328 117 B D H > S+ 0 0 105 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.869 115.4 57.2 -67.8 -37.2 -3.6 21.2 22.4 329 118 B Y H X S+ 0 0 34 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.929 108.8 44.4 -60.5 -47.6 0.0 21.8 21.2 330 119 B V H < S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 110.4 55.8 -67.0 -34.1 0.2 25.3 22.5 331 120 B K H < S+ 0 0 161 -4,-1.5 4,-0.3 -5,-0.3 -1,-0.2 0.860 112.9 42.3 -65.9 -32.4 -1.4 24.3 25.8 332 121 B A H X S+ 0 0 52 -4,-1.8 4,-1.0 1,-0.2 3,-0.4 0.614 92.1 90.3 -88.4 -13.2 1.3 21.7 26.2 333 122 B L H >X S+ 0 0 4 -4,-1.1 4,-1.8 1,-0.2 3,-0.8 0.860 77.2 58.7 -54.3 -45.4 4.1 24.0 25.1 334 123 B P H 3> S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.935 107.4 48.3 -53.2 -44.8 5.1 25.5 28.5 335 124 B G H 34 S+ 0 0 51 -3,-0.4 -2,-0.2 -4,-0.3 -3,-0.1 0.747 110.7 52.7 -66.2 -22.8 5.8 22.0 29.8 336 125 B Q H << S+ 0 0 74 -4,-1.0 -1,-0.2 -3,-0.8 4,-0.2 0.727 113.1 42.4 -84.0 -24.8 7.9 21.3 26.7 337 126 B L H >X S+ 0 0 0 -4,-1.8 3,-1.4 -3,-0.5 4,-1.2 0.768 94.3 79.5 -91.6 -29.6 10.0 24.4 27.1 338 127 B K H 3X S+ 0 0 118 -4,-2.1 4,-2.7 -5,-0.3 3,-0.2 0.826 82.3 64.7 -49.6 -38.9 10.6 24.3 30.8 339 128 B P H 3> S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.877 102.6 49.2 -56.6 -34.1 13.4 21.7 30.6 340 129 B F H <> S+ 0 0 2 -3,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.853 109.1 51.0 -74.0 -33.1 15.6 24.1 28.7 341 130 B E H X S+ 0 0 20 -4,-1.2 4,-2.5 -3,-0.2 -1,-0.2 0.930 111.1 50.4 -65.7 -43.4 15.0 26.9 31.3 342 131 B T H X S+ 0 0 42 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.920 108.0 51.7 -60.2 -45.6 15.9 24.4 34.0 343 132 B L H >< S+ 0 0 20 -4,-2.3 3,-0.6 1,-0.2 4,-0.3 0.919 110.7 48.7 -58.3 -43.7 19.1 23.5 32.1 344 133 B L H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 6,-0.8 0.931 106.2 56.8 -61.6 -43.8 20.1 27.1 31.9 345 134 B S H 3< S+ 0 0 62 -4,-2.5 4,-0.4 1,-0.3 -1,-0.2 0.750 106.9 50.3 -60.5 -23.5 19.4 27.6 35.6 346 135 B Q T << S+ 0 0 145 -4,-1.2 2,-0.5 -3,-0.6 -1,-0.3 0.383 99.6 71.6 -97.1 3.7 21.9 24.9 36.4 347 136 B N S X >S- 0 0 28 -3,-1.9 3,-2.1 -4,-0.3 5,-0.6 -0.842 127.9 -44.8-124.9 95.3 24.7 26.3 34.3 348 137 B Q G > 5S- 0 0 119 -2,-0.5 3,-1.7 1,-0.3 -2,-0.1 0.865 108.8 -61.2 52.9 39.4 26.3 29.5 35.6 349 138 B G G 3 5S- 0 0 44 -4,-0.4 -1,-0.3 1,-0.3 -4,-0.2 0.683 89.4 -71.6 63.6 17.4 22.9 30.9 36.4 350 139 B G G < 5S+ 0 0 3 -3,-2.1 -1,-0.3 -6,-0.8 -2,-0.2 0.667 105.1 123.6 73.2 18.6 22.0 30.7 32.7 351 140 B K T < 5S+ 0 0 159 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.526 73.7 29.4 -88.9 -7.5 24.4 33.6 31.9 352 141 B T S S- 0 0 9 3,-0.3 3,-0.6 1,-0.0 -1,-0.2 -0.988 121.2 -33.6-136.8 126.0 26.2 23.7 28.2 356 145 B G T 3 S- 0 0 4 -2,-0.4 -3,-1.0 1,-0.2 -4,-0.1 -0.159 92.2 -56.7 67.2-159.3 29.4 24.9 29.7 357 146 B D T 3 S+ 0 0 95 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.282 112.6 65.4-106.4 7.9 31.0 28.2 29.0 358 147 B Q S < S- 0 0 143 -3,-0.6 -3,-0.3 -6,-0.0 -67,-0.1 -0.952 88.9 -97.9-130.6 152.3 31.4 28.0 25.2 359 148 B I - 0 0 14 -2,-0.3 -68,-0.3 -6,-0.1 2,-0.3 -0.353 41.4-170.4 -67.4 144.8 28.8 27.9 22.4 360 149 B S >> - 0 0 1 -70,-0.1 3,-1.1 -4,-0.1 4,-1.0 -0.827 40.7 -99.7-129.4 169.6 27.9 24.4 21.1 361 150 B F H 3> S+ 0 0 0 -72,-2.3 4,-1.8 -2,-0.3 3,-0.2 0.828 121.2 63.3 -62.0 -27.2 25.9 23.2 18.1 362 151 B A H 3> S+ 0 0 0 -73,-0.3 4,-3.0 1,-0.2 -1,-0.3 0.809 94.4 60.3 -66.1 -30.2 23.1 22.5 20.5 363 152 B D H <> S+ 0 0 0 -3,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.917 106.6 46.1 -62.5 -42.8 22.8 26.3 21.3 364 153 B Y H X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.903 114.2 47.3 -67.6 -40.3 22.1 27.0 17.6 365 154 B N H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.942 114.9 45.8 -66.9 -45.7 19.5 24.2 17.4 366 155 B L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.923 110.0 54.9 -62.7 -43.5 17.8 25.3 20.6 367 156 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.936 109.9 46.4 -56.2 -47.0 17.9 29.0 19.5 368 157 B D H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.928 109.7 54.1 -61.2 -44.5 16.1 28.0 16.3 369 158 B L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.907 111.5 45.7 -54.5 -44.0 13.6 25.9 18.2 370 159 B L H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.902 110.7 52.6 -69.1 -40.5 12.8 28.9 20.4 371 160 B L H X S+ 0 0 29 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.927 110.7 46.0 -62.8 -45.9 12.5 31.4 17.6 372 161 B I H X S+ 0 0 5 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.826 111.4 52.8 -69.1 -28.9 10.0 29.3 15.6 373 162 B H H X S+ 0 0 0 -4,-1.5 4,-3.1 -5,-0.3 -1,-0.2 0.807 101.6 59.0 -76.0 -26.1 7.9 28.7 18.7 374 163 B E H < S+ 0 0 68 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.827 108.9 46.6 -68.1 -29.0 7.8 32.4 19.4 375 164 B V H < S+ 0 0 57 -4,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.898 114.8 45.4 -76.1 -43.1 6.1 32.7 16.0 376 165 B L H < S+ 0 0 5 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.913 134.1 15.3 -66.0 -44.7 3.7 29.8 16.6 377 166 B A S >< S- 0 0 11 -4,-3.1 3,-1.8 -5,-0.1 -1,-0.3 -0.736 84.1-145.7-134.9 84.1 2.8 31.0 20.1 378 167 B P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.194 85.3 22.5 -50.8 135.4 3.8 34.6 20.7 379 168 B G T > S+ 0 0 36 -5,-0.1 3,-1.5 1,-0.0 4,-0.4 0.494 78.0 132.5 85.6 5.0 4.9 35.2 24.3 380 169 B C T < S+ 0 0 22 -3,-1.8 3,-0.2 1,-0.3 -43,-0.1 0.684 74.6 47.9 -64.0 -16.2 5.7 31.6 25.0 381 170 B L T > S+ 0 0 0 1,-0.1 3,-1.6 2,-0.1 7,-0.4 0.460 82.1 94.7-102.4 -1.2 9.1 32.6 26.6 382 171 B D T < S+ 0 0 130 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.814 85.2 51.2 -60.4 -30.0 7.7 35.4 28.8 383 172 B A T 3 S+ 0 0 81 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.556 102.9 67.6 -83.4 -7.7 7.4 32.9 31.8 384 173 B F <> + 0 0 20 -3,-1.6 4,-2.5 1,-0.2 -1,-0.2 -0.813 58.1 179.4-118.5 91.9 11.1 31.8 31.3 385 174 B P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.868 81.9 50.2 -59.2 -40.2 13.5 34.7 32.1 386 175 B L H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.939 113.2 44.7 -67.1 -44.9 16.7 32.6 31.4 387 176 B L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.917 113.1 53.0 -63.4 -42.1 15.5 31.4 28.0 388 177 B S H X S+ 0 0 43 -4,-2.5 4,-1.9 -7,-0.4 -2,-0.2 0.933 113.4 41.1 -57.9 -49.4 14.3 34.9 27.2 389 178 B A H X S+ 0 0 51 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.838 112.3 57.3 -68.7 -32.7 17.6 36.5 28.0 390 179 B Y H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.925 106.6 47.9 -64.0 -46.1 19.4 33.6 26.2 391 180 B V H X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.936 113.9 47.1 -61.2 -46.4 17.6 34.2 23.0 392 181 B G H X S+ 0 0 45 -4,-1.9 4,-0.9 -5,-0.2 -2,-0.2 0.907 114.1 47.8 -62.5 -41.0 18.3 38.0 23.1 393 182 B R H >< S+ 0 0 85 -4,-2.6 3,-0.6 2,-0.2 4,-0.5 0.946 115.0 42.7 -66.1 -51.0 22.0 37.4 24.0 394 183 B L H >< S+ 0 0 3 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.910 111.9 55.0 -62.9 -41.9 22.7 34.8 21.3 395 184 B S H 3< S+ 0 0 26 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.714 103.0 58.2 -64.8 -20.5 20.7 36.8 18.7 396 185 B A T << S+ 0 0 57 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.560 70.7 119.6 -87.8 -10.7 22.9 39.8 19.4 397 186 B R S <> S- 0 0 75 -3,-1.4 4,-3.3 -4,-0.5 3,-0.3 -0.416 75.3-120.3 -56.4 123.5 26.2 38.1 18.5 398 187 B P H > S+ 0 0 110 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.816 105.6 38.6 -32.7 -63.6 27.4 40.3 15.6 399 188 B K H > S+ 0 0 121 -165,-0.2 4,-2.0 1,-0.2 -165,-0.1 0.886 119.8 47.1 -64.3 -39.2 27.6 37.7 12.8 400 189 B L H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.904 109.8 53.6 -69.3 -40.2 24.5 35.9 13.9 401 190 B K H X S+ 0 0 124 -4,-3.3 4,-1.3 1,-0.2 -2,-0.2 0.922 109.9 48.0 -58.7 -46.0 22.6 39.2 14.2 402 191 B A H X S+ 0 0 62 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.2 0.914 112.7 48.9 -61.9 -44.1 23.5 40.2 10.7 403 192 B F H >< S+ 0 0 15 -4,-2.0 3,-1.0 1,-0.2 6,-0.4 0.941 109.4 50.6 -62.0 -48.8 22.5 36.8 9.3 404 193 B L H 3< S+ 0 0 28 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.760 113.5 47.2 -62.5 -24.0 19.1 36.8 11.1 405 194 B A H 3< S+ 0 0 69 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.573 93.3 99.6 -92.8 -11.9 18.4 40.2 9.7 406 195 B S S XX S- 0 0 28 -3,-1.0 4,-2.8 -4,-0.9 3,-1.5 -0.413 81.3-122.9 -77.3 150.6 19.5 39.3 6.1 407 196 B P H 3> S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.770 108.7 74.2 -62.7 -23.1 17.0 38.5 3.4 408 197 B E H 34 S+ 0 0 99 2,-0.2 -4,-0.1 1,-0.1 -5,-0.1 0.843 115.3 21.2 -56.3 -34.3 18.8 35.2 3.0 409 198 B Y H X4 S+ 0 0 23 -3,-1.5 3,-1.6 -6,-0.4 -1,-0.1 0.859 126.2 50.3 -96.7 -56.0 17.1 34.2 6.3 410 199 B V H 3< S+ 0 0 69 -4,-2.8 -2,-0.2 -7,-0.3 -6,-0.1 0.808 106.5 53.9 -56.8 -37.9 14.1 36.6 6.5 411 200 B N T 3< S+ 0 0 127 -4,-2.2 -1,-0.3 -5,-0.2 -3,-0.1 0.338 91.4 87.6 -86.8 11.3 12.7 35.9 3.0 412 201 B L S < S- 0 0 42 -3,-1.6 -191,-0.2 -5,-0.1 2,-0.1 -0.865 81.4-120.6-105.6 139.4 12.5 32.2 3.5 413 202 B P - 0 0 61 0, 0.0 -191,-2.4 0, 0.0 -190,-0.2 -0.434 18.3-125.4 -74.4 157.8 9.4 30.7 5.0 414 203 B I S S+ 0 0 6 -193,-0.2 -191,-2.6 -192,-0.2 2,-0.2 0.933 91.4 18.8 -66.9 -44.7 9.9 28.7 8.2 415 204 B N S > S- 0 0 8 4,-0.3 3,-0.6 -193,-0.1 -193,-0.1 -0.708 79.7-113.7-122.8 172.1 8.2 25.6 6.7 416 205 B G T 3 S+ 0 0 55 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 0.472 106.6 55.4 -88.0 -1.1 7.3 24.3 3.3 417 206 B N T 3 S- 0 0 56 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.185 109.8-108.9-115.8 15.6 3.5 24.5 3.6 418 207 B G S < S+ 0 0 70 -3,-0.6 2,-0.3 1,-0.2 -2,-0.1 0.445 79.4 123.6 75.0 -0.7 3.1 28.1 4.5 419 208 B K 0 0 65 1,-0.1 -4,-0.3 -101,-0.1 -2,-0.2 -0.681 360.0 360.0 -96.3 149.3 2.1 27.3 8.1 420 209 B Q 0 0 101 -2,-0.3 -1,-0.1 -3,-0.1 -102,-0.1 0.336 360.0 360.0-163.7 360.0 3.9 28.7 11.2 421 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 422 1221 A X 0 0 109 0, 0.0 -355,-0.4 0, 0.0 -358,-0.0 0.000 360.0 360.0 360.0 360.0 13.7 9.8 23.9 423 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 424 2221 B X 0 0 104 0, 0.0 -147,-0.4 0, 0.0 -150,-0.0 0.000 360.0 360.0 360.0 360.0 16.0 13.7 8.8