==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-DEC-97 17GS . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.J.OAKLEY,M.LO BELLO,M.W.PARKER . 418 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 76.3 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 . 2 0.5 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 . 20 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 46.7 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 3 1 0 2 2 0 2 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 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 0 224 0, 0.0 27,-0.0 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 166.8 30.9 -1.6 43.1 2 1 A P - 0 0 45 0, 0.0 27,-0.1 0, 0.0 28,-0.1 -0.233 360.0-142.1 -55.6 140.0 30.1 -0.9 39.4 3 2 A P S S+ 0 0 67 0, 0.0 56,-2.2 0, 0.0 2,-0.4 0.592 79.8 76.7 -78.9 -13.1 30.6 2.8 38.1 4 3 A Y E +aB 29 58A 16 24,-0.5 26,-2.5 54,-0.2 2,-0.4 -0.842 51.8 176.2-108.0 141.0 27.5 2.5 35.9 5 4 A T E -aB 30 57A 23 52,-1.7 52,-2.4 -2,-0.4 2,-0.5 -0.991 11.4-161.6-140.2 121.1 23.9 2.6 36.7 6 5 A V E -aB 31 56A 2 24,-2.3 26,-2.9 -2,-0.4 2,-0.6 -0.936 6.6-160.5-105.9 126.1 21.1 2.5 34.2 7 6 A V E +aB 32 55A 21 48,-2.8 48,-1.8 -2,-0.5 2,-0.3 -0.949 34.6 127.8-106.2 119.7 17.7 3.7 35.4 8 7 A Y E -a 33 0A 21 24,-1.9 26,-2.6 -2,-0.6 -2,-0.0 -0.970 58.7 -82.7-162.1 170.8 14.8 2.5 33.3 9 8 A F - 0 0 47 -2,-0.3 2,-2.5 24,-0.2 26,-0.2 -0.367 60.6 -90.5 -74.4 162.4 11.4 0.7 33.1 10 9 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.307 96.9 92.9 -76.6 60.7 11.4 -3.1 33.1 11 10 A V S S- 0 0 13 -2,-2.5 193,-0.2 191,-0.2 194,-0.1 -0.913 77.6-125.4-141.6 163.3 11.5 -3.3 29.3 12 11 A R >> + 0 0 32 191,-2.4 3,-2.4 -2,-0.3 4,-1.0 0.961 69.2 121.9 -74.1 -57.1 14.3 -3.6 26.7 13 12 A G G >4 S- 0 0 12 191,-2.6 3,-1.1 1,-0.3 4,-0.4 0.114 86.1 -7.4 35.5-131.6 13.2 -0.6 24.7 14 13 A R G 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.348 134.0 60.1 -76.5 7.9 15.8 2.2 24.4 15 14 A C G <> S+ 0 0 0 -3,-2.4 4,-2.2 2,-0.1 -1,-0.2 0.553 78.1 86.5-110.1 -10.2 18.2 0.5 26.8 16 15 A A H S+ 0 0 5 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.907 112.6 46.8 -60.4 -44.6 21.5 -1.5 22.7 18 17 A L H > S+ 0 0 2 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.860 111.4 52.4 -69.2 -31.4 23.5 0.1 25.6 19 18 A R H X S+ 0 0 15 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.920 109.2 49.1 -68.1 -43.7 23.1 -3.1 27.6 20 19 A M H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.909 111.3 51.5 -60.6 -41.0 24.4 -5.2 24.8 21 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.949 112.1 44.2 -60.4 -52.8 27.3 -2.8 24.5 22 21 A L H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 -2,-0.2 0.943 116.4 47.1 -59.0 -47.8 28.2 -3.0 28.2 23 22 A A H ><5S+ 0 0 16 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.943 113.2 47.4 -60.0 -50.2 27.9 -6.7 28.2 24 23 A D H 3<5S+ 0 0 11 -4,-3.0 -1,-0.2 1,-0.3 165,-0.2 0.820 111.6 51.3 -62.7 -31.7 29.9 -7.3 25.1 25 24 A Q T 3<5S- 0 0 55 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.322 115.8-115.9 -87.6 6.9 32.6 -4.9 26.4 26 25 A G T < 5 + 0 0 46 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.767 63.1 151.4 65.8 27.7 32.8 -6.8 29.6 27 26 A Q < - 0 0 66 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.599 39.4-134.0 -91.1 154.4 31.6 -3.9 31.7 28 27 A S + 0 0 75 -2,-0.2 -24,-0.5 -27,-0.0 2,-0.3 -0.810 29.0 170.3-104.9 147.6 29.6 -4.2 35.0 29 28 A W E -a 4 0A 41 -2,-0.3 2,-0.4 -27,-0.1 -24,-0.2 -0.990 29.6-125.7-155.5 156.9 26.5 -2.2 35.7 30 29 A K E -a 5 0A 95 -26,-2.5 -24,-2.3 -2,-0.3 2,-0.5 -0.886 21.4-142.0-106.4 134.6 23.7 -1.8 38.2 31 30 A E E -a 6 0A 46 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.873 9.2-165.4 -98.5 125.7 20.1 -1.9 37.0 32 31 A E E -a 7 0A 93 -26,-2.9 -24,-1.9 -2,-0.5 2,-0.4 -0.923 16.7-152.9-111.2 99.9 17.7 0.5 38.8 33 32 A V E -a 8 0A 85 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.2 -0.639 6.6-160.8 -79.8 127.5 14.3 -0.7 37.8 34 33 A V - 0 0 8 -26,-2.6 2,-0.2 -2,-0.4 -2,-0.0 -0.942 10.5-150.6-110.2 117.8 11.5 1.9 37.8 35 34 A T > - 0 0 51 -2,-0.6 4,-2.6 -26,-0.2 5,-0.2 -0.542 27.0-112.8 -84.4 158.0 8.0 0.4 37.9 36 35 A V H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.835 119.0 56.1 -57.1 -34.4 5.0 2.2 36.4 37 36 A E H > S+ 0 0 142 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.971 109.3 44.0 -61.2 -56.5 3.6 2.6 39.9 38 37 A T H >4 S+ 0 0 71 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.899 114.8 50.5 -55.8 -43.4 6.8 4.5 41.1 39 38 A W H >< S+ 0 0 37 -4,-2.6 3,-1.6 1,-0.2 6,-0.4 0.916 106.4 52.9 -63.4 -45.9 6.8 6.5 37.9 40 39 A Q H 3< S+ 0 0 152 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.656 91.8 76.8 -66.5 -13.3 3.2 7.6 38.2 41 40 A E T << S- 0 0 127 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.810 96.7-141.0 -65.0 -31.9 4.0 8.8 41.7 42 41 A G S <> S+ 0 0 30 -3,-1.6 4,-2.0 -4,-0.5 5,-0.1 -0.067 72.5 96.2 102.1 -34.3 5.6 11.8 40.1 43 42 A S H > S+ 0 0 66 2,-0.2 4,-1.0 -5,-0.2 5,-0.1 0.882 87.2 47.0 -60.9 -43.6 8.8 12.6 42.1 44 43 A L H >> S+ 0 0 46 -6,-0.4 3,-1.4 2,-0.2 4,-0.9 0.969 111.5 51.7 -62.9 -51.9 11.3 10.8 39.9 45 44 A K H >4 S+ 0 0 90 -6,-0.4 3,-1.2 1,-0.3 6,-0.3 0.889 106.5 54.9 -49.8 -46.1 9.9 12.2 36.7 46 45 A A H 3< S+ 0 0 89 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.743 107.3 50.0 -62.5 -27.1 10.2 15.7 38.1 47 46 A S H << S+ 0 0 76 -3,-1.4 2,-0.4 -4,-1.0 -1,-0.3 0.580 90.0 97.0 -88.5 -11.0 13.8 15.2 38.8 48 47 A C S X< S- 0 0 8 -3,-1.2 3,-1.3 -4,-0.9 5,-0.1 -0.673 79.2-129.6 -80.7 132.8 14.5 14.0 35.3 49 48 A L T 3 S+ 0 0 28 -2,-0.4 -1,-0.1 1,-0.3 292,-0.1 0.859 106.5 19.0 -47.7 -51.6 15.9 16.7 33.0 50 49 A Y T 3 S- 0 0 44 2,-0.3 -1,-0.3 288,-0.1 3,-0.1 0.163 113.2-107.7-107.3 15.5 13.4 16.0 30.2 51 50 A G S < S+ 0 0 11 -3,-1.3 2,-0.3 -6,-0.3 -2,-0.1 0.715 87.5 93.8 66.9 25.4 10.9 14.2 32.4 52 51 A Q - 0 0 116 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.906 62.9 -91.9-143.1 166.4 11.8 10.8 30.8 53 52 A L S S+ 0 0 21 -2,-0.3 2,-0.2 -3,-0.1 -45,-0.1 -0.774 72.4 77.5-114.9 166.7 14.0 7.7 31.2 54 53 A P + 0 0 6 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.417 56.1 178.8 -70.6 159.5 16.5 6.1 30.6 55 54 A A E -BC 7 64A 8 -48,-1.8 -48,-2.8 9,-0.2 2,-0.4 -0.906 8.2-161.2-125.0 153.1 18.8 7.9 33.0 56 55 A F E -BC 6 63A 1 7,-2.5 7,-3.3 -2,-0.3 2,-0.5 -1.000 7.7-156.8-143.9 139.2 22.4 6.8 33.3 57 56 A Q E +BC 5 62A 75 -52,-2.4 -52,-1.7 -2,-0.4 2,-0.6 -0.976 10.9 178.7-122.9 126.0 25.1 7.4 36.0 58 57 A D E > S-BC 4 61A 38 3,-2.6 3,-2.4 -2,-0.5 2,-0.3 -0.936 77.0 -54.1-119.8 97.5 28.8 7.1 35.4 59 58 A G T 3 S- 0 0 57 -56,-2.2 -54,-0.0 -2,-0.6 0, 0.0 -0.521 123.1 -21.3 67.1-122.3 30.3 8.0 38.8 60 59 A D T 3 S+ 0 0 146 -2,-0.3 2,-0.7 -3,-0.1 -1,-0.3 0.340 114.4 107.5-100.2 6.3 28.6 11.3 39.6 61 60 A L E < -C 58 0A 17 -3,-2.4 -3,-2.6 2,-0.0 2,-0.6 -0.777 53.6-164.5 -87.3 113.7 27.8 12.1 36.0 62 61 A T E -C 57 0A 50 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.922 10.9-174.7-103.7 119.3 24.1 11.7 35.4 63 62 A L E -C 56 0A 0 -7,-3.3 -7,-2.5 -2,-0.6 2,-0.3 -0.833 11.0-167.4-115.2 150.7 23.1 11.5 31.8 64 63 A Y E +C 55 0A 37 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.821 51.6 64.1-127.0 166.7 19.8 11.4 30.0 65 64 A Q S >> S- 0 0 25 -11,-0.8 4,-2.2 -2,-0.3 3,-0.9 0.809 71.3-124.1 81.5 111.0 18.9 10.6 26.3 66 65 A S H 3> S+ 0 0 9 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.844 110.1 48.7 -51.2 -43.8 19.7 7.1 25.1 67 66 A N H 3> S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.799 108.4 54.1 -70.8 -27.8 21.9 8.2 22.2 68 67 A T H <> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.922 109.2 49.3 -69.6 -41.6 23.9 10.5 24.5 69 68 A I H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.936 112.2 48.0 -61.5 -46.5 24.5 7.5 26.7 70 69 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.926 113.4 47.0 -60.7 -45.6 25.6 5.5 23.7 71 70 A R H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.875 110.7 52.6 -65.4 -36.0 27.9 8.2 22.4 72 71 A H H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.922 112.6 44.1 -64.9 -44.8 29.3 8.7 25.9 73 72 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 6,-0.3 0.889 112.3 53.2 -66.9 -38.9 30.1 5.0 26.1 74 73 A G H X>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 4,-0.5 0.890 112.4 45.4 -63.3 -37.0 31.5 5.0 22.6 75 74 A R H <5S+ 0 0 50 -4,-2.3 3,-0.4 3,-0.2 -2,-0.2 0.932 118.9 39.2 -73.0 -45.0 33.8 7.9 23.5 76 75 A T H <5S+ 0 0 41 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.758 121.8 41.7 -79.4 -25.2 35.0 6.5 26.8 77 76 A L H <5S- 0 0 42 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.364 112.5-110.9-102.1 2.3 35.3 2.8 25.7 78 77 A G T <5S+ 0 0 45 -4,-0.5 -3,-0.2 -3,-0.4 3,-0.2 0.881 77.0 127.7 71.5 42.7 36.8 3.5 22.2 79 78 A L < + 0 0 7 -5,-2.6 72,-2.4 -6,-0.3 73,-0.3 -0.283 44.3 92.4-121.6 46.6 33.9 2.5 20.1 80 79 A Y S S- 0 0 24 1,-0.5 -1,-0.1 -6,-0.3 10,-0.1 -0.096 96.8 -83.3-132.7 36.2 33.6 5.7 18.0 81 80 A G - 0 0 17 68,-0.3 -1,-0.5 -3,-0.2 3,-0.1 -0.060 42.6 -89.3 84.0 168.1 35.8 5.0 14.9 82 81 A K S S+ 0 0 132 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.616 102.1 0.4 -91.1 -17.6 39.5 5.3 14.5 83 82 A D S > S- 0 0 71 -3,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.921 89.5 -78.5-155.5-177.6 39.5 8.9 13.4 84 83 A Q H > S+ 0 0 95 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.850 123.0 55.4 -60.3 -40.1 37.1 11.9 12.7 85 84 A Q H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.955 112.1 42.8 -59.6 -49.1 36.0 10.6 9.3 86 85 A E H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.883 110.2 56.9 -64.7 -39.0 34.9 7.3 10.8 87 86 A A H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.907 107.3 49.3 -58.4 -41.5 33.3 9.1 13.8 88 87 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.915 111.9 48.2 -64.2 -41.9 31.2 11.1 11.4 89 88 A L H X S+ 0 0 46 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.887 109.3 53.0 -65.5 -38.2 30.2 7.9 9.5 90 89 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.907 110.0 48.6 -62.6 -42.5 29.3 6.2 12.9 91 90 A D H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.911 108.9 53.3 -63.3 -43.6 27.1 9.2 13.7 92 91 A M H X S+ 0 0 8 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.875 110.6 46.8 -60.4 -39.8 25.4 9.0 10.3 93 92 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 3,-0.3 0.961 113.1 48.6 -67.1 -49.6 24.6 5.3 10.8 94 93 A N H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.863 109.3 52.1 -59.2 -39.7 23.3 5.9 14.4 95 94 A D H X S+ 0 0 12 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.857 109.1 50.9 -65.2 -35.8 21.1 8.8 13.2 96 95 A G H X S+ 0 0 4 -4,-1.4 4,-1.8 -3,-0.3 -2,-0.2 0.918 110.5 48.9 -65.9 -42.8 19.6 6.6 10.5 97 96 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.925 109.6 52.6 -60.6 -46.2 18.9 3.9 13.1 98 97 A E H X S+ 0 0 27 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.898 106.3 53.4 -58.1 -42.9 17.3 6.5 15.4 99 98 A D H X S+ 0 0 58 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.913 113.2 42.1 -60.1 -45.7 15.0 7.7 12.6 100 99 A L H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.865 110.6 57.4 -70.9 -33.3 13.7 4.2 11.9 101 100 A R H X S+ 0 0 11 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.910 104.2 52.7 -63.7 -39.0 13.5 3.5 15.7 102 101 A C H X S+ 0 0 56 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.888 109.3 48.9 -63.3 -38.0 11.1 6.4 16.1 103 102 A K H X S+ 0 0 98 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.912 112.2 49.0 -67.5 -40.9 8.9 5.1 13.3 104 103 A Y H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.952 111.9 47.9 -61.3 -51.1 8.9 1.6 15.0 105 104 A I H X S+ 0 0 47 -4,-3.1 4,-2.6 1,-0.2 5,-0.4 0.896 110.5 52.5 -58.0 -41.1 8.1 3.2 18.4 106 105 A S H X>S+ 0 0 60 -4,-2.4 4,-2.5 -5,-0.2 5,-0.7 0.922 111.0 46.9 -62.0 -45.1 5.3 5.2 16.8 107 106 A L H X5S+ 0 0 8 -4,-2.3 4,-1.1 3,-0.2 -2,-0.2 0.970 113.5 48.3 -60.0 -52.6 3.8 2.0 15.2 108 107 A I H <5S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.880 126.3 24.5 -55.7 -48.0 4.1 0.0 18.5 109 108 A Y H <5S+ 0 0 112 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.679 126.6 43.2 -96.2 -19.5 2.5 2.7 20.8 110 109 A T H <5S- 0 0 108 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.901 132.1 -17.1 -94.9 -50.2 0.3 4.7 18.4 111 110 A N X< + 0 0 74 -4,-1.1 4,-2.6 -5,-0.7 5,-0.3 -0.237 62.4 158.9-161.0 69.0 -1.5 2.2 16.0 112 111 A Y H > S+ 0 0 38 -4,-0.4 4,-1.7 1,-0.2 -4,-0.1 0.940 79.4 47.4 -56.4 -53.9 -0.1 -1.2 15.9 113 112 A E H 4 S+ 0 0 127 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.931 118.9 36.4 -55.4 -56.6 -3.2 -2.8 14.5 114 113 A A H 4 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52.5 -63.7 -42.2 22.5 -7.6 6.9 178 177 A S H X S+ 0 0 43 -4,-2.8 4,-2.1 -7,-0.4 -2,-0.2 0.931 112.8 42.8 -58.9 -48.7 21.6 -11.3 7.5 179 178 A A H X S+ 0 0 48 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.868 112.0 56.5 -65.4 -36.1 25.3 -12.4 7.8 180 179 A Y H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.930 107.6 46.5 -60.9 -48.5 26.0 -9.3 9.9 181 180 A V H X S+ 0 0 19 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.941 114.2 48.3 -61.5 -45.3 23.3 -10.2 12.5 182 181 A G H X S+ 0 0 43 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.919 113.5 47.3 -60.8 -44.7 24.6 -13.8 12.6 183 182 A R H >< S+ 0 0 79 -4,-2.8 3,-1.0 2,-0.2 4,-0.3 0.948 116.0 42.2 -62.5 -52.8 28.2 -12.7 13.0 184 183 A L H >< S+ 0 0 3 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.913 110.4 56.6 -63.6 -42.6 27.6 -10.1 15.7 185 184 A S H 3< S+ 0 0 30 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.638 101.9 61.2 -62.2 -15.0 25.1 -12.4 17.6 186 185 A A T << S+ 0 0 60 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.551 70.3 119.2 -91.1 -10.2 27.9 -14.9 17.7 187 186 A R S <> S- 0 0 69 -3,-1.7 4,-3.2 -4,-0.3 5,-0.3 -0.419 73.0-120.8 -59.2 127.1 30.4 -12.8 19.7 188 187 A P H > S+ 0 0 109 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.809 106.0 36.0 -33.9 -63.8 31.1 -14.7 23.0 189 188 A K H > S+ 0 0 121 -165,-0.2 4,-2.1 1,-0.2 5,-0.1 0.881 119.3 49.5 -67.3 -38.3 30.0 -12.1 25.6 190 189 A L H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.891 109.8 51.7 -67.3 -42.1 27.1 -10.8 23.5 191 190 A K H X S+ 0 0 134 -4,-3.2 4,-1.1 2,-0.2 -2,-0.2 0.917 110.0 48.7 -60.5 -45.3 25.8 -14.4 22.8 192 191 A A H X S+ 0 0 66 -4,-1.9 4,-0.5 -5,-0.3 3,-0.4 0.925 113.9 47.5 -60.7 -44.4 25.9 -15.2 26.5 193 192 A F H >< S+ 0 0 15 -4,-2.1 3,-1.4 1,-0.2 6,-0.4 0.929 107.8 53.0 -64.4 -47.4 24.0 -12.0 27.3 194 193 A L H 3< S+ 0 0 30 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.719 112.0 47.9 -62.7 -20.9 21.3 -12.4 24.6 195 194 A A H 3< S+ 0 0 75 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.516 92.4 104.8 -96.2 -7.2 20.6 -15.8 26.0 196 195 A S S XX S- 0 0 26 -3,-1.4 4,-2.7 -4,-0.5 3,-1.5 -0.385 79.5-121.8 -77.5 152.6 20.4 -14.7 29.6 197 196 A P H 3> S+ 0 0 93 0, 0.0 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T 3 S- 0 0 59 2,-0.2 -1,-0.2 -4,-0.0 3,-0.1 0.270 110.6-107.8 -98.8 12.6 2.5 -2.3 25.9 208 207 A G S < S+ 0 0 70 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.606 81.6 121.9 75.8 8.8 2.9 -6.0 25.2 209 208 A K 0 0 62 1,-0.1 -4,-0.4 -101,-0.0 -1,-0.3 -0.791 360.0 360.0-105.9 149.9 3.2 -5.4 21.4 210 209 A Q 0 0 104 -2,-0.3 -1,-0.1 -3,-0.1 -102,-0.0 0.243 360.0 360.0-169.9 360.0 6.1 -6.5 19.3 211 !* 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 0.0 212 2 B P 0 0 108 0, 0.0 56,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -12.1 35.7 23.0 1.3 213 3 B Y E +dE 238 267B 20 24,-0.5 26,-2.6 54,-0.2 2,-0.4 -0.871 360.0 178.4-111.6 141.3 32.1 22.8 2.4 214 4 B T E -dE 239 266B 28 52,-1.6 52,-2.4 -2,-0.4 2,-0.5 -0.991 10.4-161.6-139.7 121.1 29.0 22.4 0.3 215 5 B V E -dE 240 265B 1 24,-2.3 26,-2.9 -2,-0.4 2,-0.6 -0.936 6.6-160.4-105.8 125.8 25.5 22.1 1.8 216 6 B V E +dE 241 264B 20 48,-2.8 48,-1.8 -2,-0.5 2,-0.3 -0.947 34.6 128.0-106.1 119.5 22.9 20.6 -0.4 217 7 B Y E -d 242 0B 23 24,-1.9 26,-2.6 -2,-0.6 -2,-0.0 -0.969 58.6 -83.0-161.9 170.7 19.3 21.5 0.6 218 8 B F - 0 0 49 -2,-0.3 2,-2.6 24,-0.2 26,-0.2 -0.382 60.6 -90.4 -74.4 162.2 15.9 22.8 -0.4 219 9 B P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.300 96.9 93.0 -76.3 60.6 15.5 26.6 -0.4 220 10 B V S S- 0 0 13 -2,-2.6 193,-0.2 1,-0.2 194,-0.1 -0.914 77.5-125.6-141.6 163.3 14.3 26.8 3.2 221 11 B R >> + 0 0 32 191,-2.4 3,-2.4 -2,-0.3 4,-1.0 0.962 69.2 121.7 -74.1 -57.4 16.1 27.4 6.6 222 12 B G G >4 S- 0 0 14 191,-2.6 3,-1.1 1,-0.3 4,-0.4 0.113 86.2 -7.2 35.4-131.7 14.7 24.2 8.1 223 13 B R G 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.353 134.1 59.9 -76.1 7.9 17.3 21.7 9.4 224 14 B C G <> S+ 0 0 0 -3,-2.4 4,-2.2 2,-0.1 -1,-0.2 0.555 78.2 86.5-110.2 -10.1 20.1 23.7 7.9 225 15 B A H S+ 0 0 4 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.908 112.6 46.8 -60.1 -44.6 21.7 25.9 12.8 227 17 B L H > S+ 0 0 1 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.855 111.4 52.4 -69.3 -31.4 24.7 24.6 10.7 228 18 B R H X S+ 0 0 15 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.917 109.1 49.2 -68.2 -43.4 24.7 27.7 8.6 229 19 B M H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.908 111.3 51.5 -60.8 -40.8 24.8 29.9 11.7 230 20 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.949 112.1 44.2 -60.8 -52.8 27.7 27.8 13.0 231 21 B L H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 -2,-0.2 0.940 116.4 47.1 -59.2 -47.5 29.7 28.1 9.8 232 22 B A H ><5S+ 0 0 14 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.944 113.2 47.4 -60.1 -50.4 29.0 31.9 9.5 233 23 B D H 3<5S+ 0 0 12 -4,-3.0 -1,-0.2 1,-0.3 165,-0.2 0.819 111.6 51.3 -62.5 -31.9 29.8 32.5 13.2 234 24 B Q T 3<5S- 0 0 54 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.318 115.9-115.9 -87.4 6.7 33.0 30.5 12.9 235 25 B G T < 5 + 0 0 45 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.766 63.0 151.5 66.0 27.6 34.0 32.5 9.8 236 26 B Q < - 0 0 67 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.597 39.4-134.0 -91.1 154.4 33.9 29.5 7.5 237 27 B S + 0 0 89 -2,-0.2 -24,-0.5 2,-0.0 2,-0.3 -0.812 29.1 170.2-105.1 147.5 33.1 29.7 3.8 238 28 B W E -d 213 0B 49 -2,-0.3 2,-0.4 -26,-0.1 -24,-0.2 -0.990 29.6-125.8-155.5 156.9 30.7 27.3 2.1 239 29 B K E -d 214 0B 109 -26,-2.6 -24,-2.3 -2,-0.3 2,-0.5 -0.888 21.3-142.0-106.5 134.9 28.8 26.8 -1.2 240 30 B E E -d 215 0B 47 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.871 9.2-165.4 -98.8 125.7 25.1 26.4 -1.2 241 31 B E E -d 216 0B 92 -26,-2.9 -24,-1.9 -2,-0.5 2,-0.4 -0.923 16.7-152.9-111.1 99.8 23.6 23.8 -3.7 242 32 B V E -d 217 0B 89 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.2 -0.642 6.6-160.8 -79.7 127.6 20.0 24.6 -3.9 243 33 B V - 0 0 9 -26,-2.6 2,-0.2 -2,-0.4 -2,-0.0 -0.943 10.5-150.5-110.3 117.9 17.6 21.8 -4.8 244 34 B T > - 0 0 51 -2,-0.6 4,-2.6 -26,-0.2 5,-0.2 -0.544 27.0-112.7 -84.5 158.9 14.2 22.9 -6.0 245 35 B V H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.836 119.0 56.0 -58.2 -34.1 11.1 20.8 -5.5 246 36 B E H > S+ 0 0 140 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.974 109.1 44.1 -61.6 -57.1 11.0 20.3 -9.3 247 37 B T H >> S+ 0 0 73 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.898 114.8 50.5 -54.9 -43.5 14.5 18.8 -9.4 248 38 B W H >< S+ 0 0 39 -4,-2.6 3,-1.6 1,-0.2 6,-0.4 0.918 106.3 53.3 -63.4 -45.1 13.8 16.7 -6.3 249 39 B Q H 3< S+ 0 0 154 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.660 91.8 76.0 -67.1 -13.8 10.6 15.3 -7.8 250 40 B E H << S- 0 0 125 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.841 96.9-141.8 -64.6 -33.9 12.5 14.2 -10.8 251 41 B G S S+ 0 0 64 -5,-0.2 4,-1.0 2,-0.2 5,-0.1 0.883 87.2 46.9 -59.9 -43.5 17.6 10.9 -9.5 253 43 B L H >> S+ 0 0 46 -6,-0.4 3,-1.3 2,-0.2 4,-0.9 0.969 111.5 51.7 -62.8 -51.8 19.0 13.0 -6.7 254 44 B K H >4 S+ 0 0 90 -6,-0.4 3,-1.2 1,-0.3 6,-0.3 0.890 106.5 54.9 -50.0 -46.0 16.8 11.3 -4.1 255 45 B A H 3< S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.745 107.3 49.9 -62.7 -27.0 17.9 7.9 -5.3 256 46 B S H << S+ 0 0 75 -3,-1.3 2,-0.4 -4,-1.0 -1,-0.3 0.576 90.1 97.0 -88.6 -11.0 21.5 8.8 -4.7 257 47 B C S X< S- 0 0 8 -3,-1.2 3,-1.3 -4,-0.9 5,-0.1 -0.678 79.1-129.6 -80.6 132.7 20.9 10.1 -1.2 258 48 B L T 3 S+ 0 0 30 -2,-0.4 -1,-0.1 1,-0.3 -126,-0.1 0.857 106.6 18.9 -47.4 -51.7 21.7 7.4 1.5 259 49 B Y T 3 S- 0 0 43 2,-0.3 -1,-0.3 -130,-0.1 3,-0.1 0.163 113.2-107.8-107.4 15.5 18.4 7.8 3.3 260 50 B G S < S+ 0 0 12 -3,-1.3 2,-0.3 -6,-0.3 -2,-0.1 0.713 87.5 94.0 66.8 25.2 16.6 9.4 0.4 261 51 B Q - 0 0 116 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.903 62.9 -92.0-142.7 166.3 16.5 12.8 2.1 262 52 B L S S+ 0 0 20 -2,-0.3 2,-0.2 -3,-0.1 -45,-0.1 -0.782 72.5 77.4-114.4 167.4 18.4 16.1 2.4 263 53 B P + 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.403 56.1 178.6 -69.4 159.7 20.4 17.9 3.8 264 54 B A E -EF 216 273B 8 -48,-1.8 -48,-2.8 9,-0.2 2,-0.4 -0.910 8.4-161.0-125.2 153.2 23.5 16.5 2.3 265 55 B F E -EF 215 272B 0 7,-2.5 7,-3.3 -2,-0.3 2,-0.5 -1.000 7.8-156.5-143.9 139.9 26.9 17.9 3.1 266 56 B Q E +EF 214 271B 75 -52,-2.4 -52,-1.6 -2,-0.4 2,-0.6 -0.972 11.2 178.3-123.5 125.2 30.4 17.7 1.5 267 57 B D E > S-EF 213 270B 40 3,-2.6 3,-2.4 -2,-0.5 2,-0.3 -0.929 77.0 -54.4-119.9 97.4 33.6 18.3 3.3 268 58 B G T 3 S- 0 0 59 -56,-2.2 -54,-0.0 -2,-0.6 0, 0.0 -0.521 122.9 -21.2 67.1-122.2 36.2 17.7 0.6 269 59 B D T 3 S+ 0 0 146 -2,-0.3 2,-0.7 -3,-0.1 -1,-0.3 0.341 114.4 107.3-100.0 6.2 35.3 14.2 -0.7 270 60 B L E < -F 267 0B 17 -3,-2.4 -3,-2.6 2,-0.0 2,-0.6 -0.780 53.6-164.5 -87.3 114.4 33.4 13.3 2.5 271 61 B T E -F 266 0B 48 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.924 10.9-174.7-104.4 119.7 29.7 13.3 1.8 272 62 B L E -F 265 0B 0 -7,-3.3 -7,-2.5 -2,-0.6 2,-0.3 -0.834 11.0-167.4-115.2 151.1 27.5 13.3 4.9 273 63 B Y E +F 264 0B 38 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.818 51.5 64.2-127.3 166.9 23.8 13.0 5.5 274 64 B Q S >> S- 0 0 28 -11,-0.8 4,-2.2 -2,-0.3 3,-0.9 0.811 71.3-124.1 81.5 111.0 21.7 13.7 8.6 275 65 B S H 3> S+ 0 0 9 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.846 110.1 48.7 -50.9 -44.5 21.7 17.2 10.0 276 66 B N H 3> S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.799 108.5 54.2 -70.2 -27.8 22.9 16.3 13.5 277 67 B T H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.923 109.2 49.3 -69.7 -41.6 25.8 14.2 12.0 278 68 B I H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.938 112.2 48.1 -61.7 -46.6 26.8 17.3 10.1 279 69 B L H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.927 113.3 46.9 -60.6 -45.4 26.6 19.4 13.3 280 70 B R H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.877 110.7 52.7 -65.7 -36.0 28.6 16.8 15.2 281 71 B H H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.923 112.5 44.1 -64.9 -44.8 31.2 16.6 12.5 282 72 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 6,-0.3 0.890 112.3 53.2 -66.9 -38.8 31.6 20.4 12.4 283 73 B G H X>S+ 0 0 0 -4,-2.6 5,-2.7 -5,-0.2 4,-0.5 0.890 112.4 45.4 -63.5 -36.8 31.7 20.4 16.2 284 74 B R H <5S+ 0 0 51 -4,-2.3 3,-0.4 3,-0.2 -2,-0.2 0.931 118.8 39.2 -73.1 -44.9 34.5 17.8 16.2 285 75 B T H <5S+ 0 0 43 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.754 121.9 41.7 -79.2 -25.2 36.6 19.4 13.4 286 76 B L H <5S- 0 0 43 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.366 112.5-111.0-102.1 2.1 36.1 23.0 14.6 287 77 B G T <5S+ 0 0 46 -4,-0.5 -3,-0.2 -3,-0.4 3,-0.2 0.883 76.9 127.8 71.5 42.9 36.5 22.4 18.3 288 78 B L < + 0 0 6 -5,-2.7 72,-2.4 -6,-0.3 73,-0.3 -0.290 44.3 92.4-121.8 46.6 32.9 23.1 19.4 289 79 B Y S S- 0 0 22 1,-0.5 -1,-0.1 -6,-0.3 10,-0.1 -0.094 96.8 -83.2-132.5 36.2 32.3 19.9 21.3 290 80 B G - 0 0 19 68,-0.3 -1,-0.5 -3,-0.2 3,-0.1 -0.058 42.6 -89.3 83.9 167.8 33.2 20.8 24.9 291 81 B K S S+ 0 0 132 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.617 102.1 0.3 -90.8 -17.3 36.7 20.8 26.6 292 82 B D S > S- 0 0 72 -3,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.918 89.5 -78.5-155.6-177.5 36.6 17.2 27.6 293 83 B Q H > S+ 0 0 94 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.849 123.0 55.4 -60.8 -39.8 34.5 14.0 27.5 294 84 B Q H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.955 112.1 42.7 -59.6 -49.2 32.2 15.1 30.3 295 85 B E H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.881 110.3 56.9 -64.6 -38.9 31.3 18.3 28.5 296 86 B A H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.907 107.3 49.2 -58.7 -41.4 31.0 16.4 25.2 297 87 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.913 111.8 48.2 -64.1 -42.0 28.4 14.2 26.8 298 88 B L H X S+ 0 0 44 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.887 109.3 53.0 -65.6 -38.5 26.5 17.2 28.2 299 89 B V H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.909 110.0 48.6 -62.2 -42.8 26.6 18.9 24.7 300 90 B D H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.909 109.0 53.3 -63.0 -43.5 25.1 15.7 23.2 301 91 B M H X S+ 0 0 8 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.874 110.6 46.7 -60.6 -39.5 22.4 15.6 25.9 302 92 B V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 3,-0.3 0.963 113.1 48.5 -67.4 -49.7 21.5 19.2 25.1 303 93 B N H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.865 109.4 52.1 -59.1 -40.1 21.4 18.6 21.3 304 94 B D H X S+ 0 0 12 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.860 109.2 50.9 -64.9 -35.7 19.3 15.4 21.7 305 95 B G H X S+ 0 0 4 -4,-1.4 4,-1.8 -3,-0.3 -2,-0.2 0.917 110.5 48.9 -66.2 -42.7 16.8 17.4 23.8 306 96 B V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.924 109.7 52.5 -60.5 -46.4 16.7 20.1 21.0 307 97 B E H X S+ 0 0 29 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.898 106.3 53.4 -58.0 -43.2 16.2 17.4 18.4 308 98 B D H X S+ 0 0 54 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.913 113.2 42.1 -59.8 -45.8 13.2 15.9 20.3 309 99 B L H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.864 110.6 57.4 -70.7 -33.7 11.5 19.3 20.4 310 100 B R H X S+ 0 0 11 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.910 104.2 52.7 -63.3 -39.2 12.4 20.0 16.8 311 101 B C H X S+ 0 0 54 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.889 109.3 48.9 -63.5 -38.1 10.6 16.8 15.7 312 102 B K H X S+ 0 0 101 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.911 112.3 49.0 -67.5 -40.8 7.5 17.9 17.6 313 103 B Y H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.951 111.9 47.9 -61.4 -51.1 7.7 21.3 15.9 314 104 B I H X S+ 0 0 49 -4,-3.1 4,-2.6 1,-0.2 5,-0.4 0.896 110.6 52.5 -57.9 -40.9 8.2 19.8 12.5 315 105 B S H X>S+ 0 0 59 -4,-2.4 4,-2.5 -5,-0.2 5,-0.7 0.922 111.0 47.0 -62.3 -44.8 5.2 17.5 13.1 316 106 B L H X5S+ 0 0 7 -4,-2.3 4,-1.1 3,-0.2 -2,-0.2 0.970 113.5 48.3 -60.1 -52.6 3.1 20.5 14.0 317 107 B I H <5S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.881 126.2 24.6 -55.4 -48.4 4.1 22.5 11.0 318 108 B Y H <5S+ 0 0 110 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.683 126.8 42.8 -96.3 -19.6 3.6 19.8 8.4 319 109 B T H <5S- 0 0 109 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.903 132.1 -16.4 -95.6 -48.5 1.1 17.5 10.0 320 110 B N X< + 0 0 73 -4,-1.1 4,-2.6 -5,-0.7 5,-0.3 -0.247 62.5 158.4-160.8 66.9 -1.6 19.7 11.6 321 111 B Y H > S+ 0 0 39 -4,-0.4 4,-1.8 1,-0.2 -4,-0.1 0.940 79.3 47.2 -55.0 -54.2 -0.7 23.3 12.1 322 112 B E H 4 S+ 0 0 127 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.927 119.1 36.5 -55.8 -55.9 -4.3 24.6 12.3 323 113 B A H 4 S+ 0 0 78 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.881 124.5 37.4 -69.1 -42.1 -5.7 22.0 14.7 324 114 B G H X S+ 0 0 13 -4,-2.6 4,-2.4 -8,-0.2 5,-0.2 0.552 86.3 93.2 -93.7 -4.1 -2.7 21.5 17.0 325 115 B K H X S+ 0 0 45 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.870 87.4 48.6 -56.0 -42.8 -1.2 25.0 17.3 326 116 B D H > S+ 0 0 115 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.940 113.2 44.8 -65.7 -48.0 -3.1 25.9 20.5 327 117 B D H > S+ 0 0 107 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.916 113.2 53.3 -62.0 -41.6 -2.3 22.7 22.4 328 118 B Y H X S+ 0 0 34 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.926 108.7 47.4 -59.4 -48.9 1.3 22.9 21.3 329 119 B V H < S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 110.0 53.9 -63.5 -34.4 1.7 26.5 22.5 330 120 B K H < S+ 0 0 154 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.880 111.8 44.6 -65.7 -39.2 0.1 25.6 25.9 331 121 B A H >X S+ 0 0 54 -4,-2.0 4,-1.1 1,-0.2 3,-0.8 0.677 91.1 91.1 -78.6 -17.2 2.6 22.7 26.3 332 122 B L H >X S+ 0 0 3 -4,-1.3 4,-1.9 1,-0.2 3,-0.7 0.836 76.7 57.9 -47.4 -50.4 5.6 24.9 25.2 333 123 B P H 3> S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.890 106.4 50.6 -52.0 -40.5 6.6 26.2 28.7 334 124 B G H <4 S+ 0 0 46 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.828 110.3 50.5 -67.1 -30.8 7.1 22.7 29.9 335 125 B Q H << S+ 0 0 65 -4,-1.1 4,-0.3 -3,-0.7 -1,-0.2 0.766 112.8 44.6 -77.3 -29.3 9.2 21.9 26.9 336 126 B L H >X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.2 3,-1.0 0.747 92.4 81.8 -87.0 -25.8 11.5 24.9 27.3 337 127 B K H 3X S+ 0 0 125 -4,-1.9 4,-2.7 -5,-0.2 3,-0.3 0.847 83.3 60.8 -46.6 -46.6 12.0 24.6 31.1 338 128 B P H 3> S+ 0 0 13 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 106.1 47.4 -52.4 -39.7 14.8 21.9 30.7 339 129 B F H <> S+ 0 0 2 -3,-1.0 4,-2.2 -4,-0.3 -2,-0.2 0.845 109.7 51.7 -72.6 -33.2 16.9 24.4 28.8 340 130 B E H X S+ 0 0 26 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.928 111.6 49.5 -66.0 -43.3 16.4 27.2 31.3 341 131 B T H X S+ 0 0 55 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.908 108.8 50.5 -61.0 -47.4 17.4 24.7 34.0 342 132 B L H < S+ 0 0 17 -4,-2.4 4,-0.5 1,-0.2 3,-0.5 0.949 111.5 50.0 -56.5 -47.0 20.6 23.7 32.2 343 133 B L H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 6,-1.4 0.913 107.0 53.7 -58.3 -46.0 21.4 27.3 31.8 344 134 B S H 3X S+ 0 0 59 -4,-2.5 4,-0.7 1,-0.3 -1,-0.2 0.821 106.6 53.1 -61.2 -30.4 20.9 28.0 35.5 345 135 B Q T 3< S+ 0 0 146 -4,-1.7 2,-0.7 -3,-0.5 -1,-0.3 0.504 97.4 72.8 -83.8 -4.5 23.3 25.2 36.4 346 136 B N T X>>S- 0 0 27 -3,-1.6 3,-1.7 -4,-0.5 5,-0.6 -0.835 130.4 -48.5-116.1 93.6 26.1 26.6 34.2 347 137 B Q G >45S- 0 0 112 -2,-0.7 3,-1.6 1,-0.3 -2,-0.1 0.879 106.0 -62.7 49.0 43.1 27.6 29.7 35.8 348 138 B G G 3<5S- 0 0 46 -4,-0.7 -1,-0.3 1,-0.3 -4,-0.2 0.751 90.6 -65.7 57.5 28.8 24.1 31.1 36.4 349 139 B G G <45S+ 0 0 3 -3,-1.7 -1,-0.3 -6,-1.4 -2,-0.2 0.728 104.0 125.2 68.4 23.5 23.3 31.3 32.6 350 140 B K T <<5S+ 0 0 160 -3,-1.6 -3,-0.1 -4,-0.5 -2,-0.1 0.671 74.5 20.9 -87.6 -18.6 26.0 33.9 32.0 351 141 B T S S- 0 0 11 3,-0.3 3,-0.6 -8,-0.0 -1,-0.3 -0.987 122.9 -27.3-138.9 126.4 27.6 23.8 28.4 355 145 B G T 3 S- 0 0 9 -2,-0.4 -3,-0.9 1,-0.2 -4,-0.1 -0.249 90.6 -66.2 71.0-157.7 30.9 25.0 29.7 356 146 B D T 3 S+ 0 0 101 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.140 110.8 71.2-119.0 16.9 32.4 28.4 28.9 357 147 B Q S < S- 0 0 65 -3,-0.6 -3,-0.3 -69,-0.0 2,-0.1 -0.950 89.6-100.2-131.5 147.5 33.0 28.0 25.2 358 148 B I - 0 0 14 -2,-0.3 2,-0.3 -6,-0.1 -68,-0.3 -0.392 40.1-169.8 -67.5 145.3 30.4 27.8 22.4 359 149 B S >> - 0 0 1 -70,-0.1 3,-1.1 -2,-0.1 4,-0.9 -0.852 40.2-100.6-129.5 170.0 29.4 24.4 21.1 360 150 B F H 3> S+ 0 0 0 -72,-2.4 4,-1.8 -2,-0.3 5,-0.1 0.807 119.9 65.4 -63.0 -26.3 27.4 23.1 18.2 361 151 B A H 3> S+ 0 0 0 -73,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.845 93.9 59.9 -63.8 -33.1 24.5 22.6 20.6 362 152 B D H <> S+ 0 0 0 -3,-1.1 4,-3.0 2,-0.2 -1,-0.2 0.931 105.6 46.4 -60.9 -45.9 24.3 26.3 21.2 363 153 B Y H X S+ 0 0 1 -4,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.894 113.8 48.7 -64.8 -39.1 23.6 27.0 17.5 364 154 B N H X S+ 0 0 4 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.921 114.2 45.2 -67.7 -43.2 21.0 24.3 17.4 365 155 B L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.909 110.0 55.2 -66.2 -42.7 19.3 25.6 20.5 366 156 B L H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.937 109.1 47.3 -56.2 -48.5 19.5 29.2 19.3 367 157 B D H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.922 110.8 51.6 -59.1 -45.4 17.7 28.3 16.1 368 158 B L H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.906 112.4 45.9 -59.0 -43.1 15.0 26.3 18.0 369 159 B L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 3,-0.3 0.947 111.7 51.8 -66.2 -46.2 14.4 29.2 20.3 370 160 B L H X S+ 0 0 35 -4,-2.8 4,-1.0 1,-0.2 3,-0.3 0.918 109.6 48.1 -58.0 -46.4 14.2 31.7 17.4 371 161 B I H X S+ 0 0 5 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.795 109.9 53.2 -68.9 -24.5 11.7 29.7 15.4 372 162 B H H X S+ 0 0 0 -4,-1.3 4,-3.3 -3,-0.3 -1,-0.2 0.814 102.0 58.6 -78.1 -27.3 9.5 29.3 18.5 373 163 B E H < S+ 0 0 62 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.780 108.5 46.9 -69.0 -26.9 9.5 33.1 19.0 374 164 B V H < S+ 0 0 59 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.864 115.6 44.7 -79.5 -39.2 8.0 33.3 15.5 375 165 B L H < S+ 0 0 7 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.2 0.895 133.9 14.8 -70.7 -44.0 5.5 30.6 16.3 376 166 B A S >< S- 0 0 12 -4,-3.3 3,-2.1 -5,-0.1 -1,-0.3 -0.722 85.6-144.2-136.1 82.0 4.5 31.9 19.7 377 167 B P T 3 S+ 0 0 107 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.163 85.3 17.4 -48.5 131.6 5.7 35.5 20.2 378 168 B G T > S+ 0 0 24 -5,-0.1 3,-2.0 1,-0.1 4,-0.4 0.474 79.0 131.5 83.0 4.2 6.8 36.2 23.7 379 169 B C T < S+ 0 0 26 -3,-2.1 3,-0.4 1,-0.3 -6,-0.1 0.747 73.2 55.2 -61.0 -20.0 7.1 32.5 24.7 380 170 B L T > S+ 0 0 6 1,-0.2 3,-1.9 -4,-0.2 7,-0.4 0.511 80.0 91.2 -90.1 -5.7 10.5 33.3 26.2 381 171 B D T < S+ 0 0 132 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.868 84.4 53.5 -57.4 -39.2 9.2 36.1 28.5 382 172 B A T 3 S+ 0 0 80 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.480 102.8 66.5 -75.7 -1.0 8.7 33.6 31.3 383 173 B F <> + 0 0 12 -3,-1.9 4,-2.8 1,-0.2 -1,-0.2 -0.738 57.5 178.1-126.4 87.5 12.4 32.4 30.9 384 174 B P H > S+ 0 0 86 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.865 82.6 49.0 -54.0 -44.3 14.9 35.2 31.9 385 175 B L H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.936 113.9 45.0 -64.9 -46.3 18.0 33.0 31.3 386 176 B L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 112.9 52.5 -63.7 -42.1 16.9 31.8 27.9 387 177 B S H X S+ 0 0 43 -4,-2.8 4,-2.1 -7,-0.4 -2,-0.2 0.933 112.8 42.9 -58.9 -48.7 15.8 35.4 26.9 388 178 B A H X S+ 0 0 49 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.867 111.9 56.5 -65.0 -36.5 19.2 36.8 27.9 389 179 B Y H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.929 107.6 46.6 -60.7 -48.5 20.9 33.8 26.2 390 180 B V H X S+ 0 0 19 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.941 114.2 48.3 -61.4 -45.4 19.2 34.5 22.8 391 181 B G H X S+ 0 0 44 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.918 113.5 47.2 -60.8 -44.7 20.0 38.2 23.1 392 182 B R H >< S+ 0 0 81 -4,-2.8 3,-1.0 2,-0.2 4,-0.3 0.946 116.0 42.2 -62.7 -53.0 23.7 37.5 23.9 393 183 B L H >< S+ 0 0 3 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.913 110.4 56.6 -63.4 -42.8 24.2 34.9 21.2 394 184 B S H 3< S+ 0 0 32 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.639 101.9 61.1 -61.8 -15.0 22.3 37.0 18.6 395 185 B A T << S+ 0 0 60 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.553 70.3 119.1 -91.0 -10.3 24.8 39.8 19.4 396 186 B R S <> S- 0 0 71 -3,-1.7 4,-3.2 -4,-0.3 5,-0.3 -0.418 73.0-120.7 -59.2 127.2 28.0 37.9 18.3 397 187 B P H > S+ 0 0 110 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.811 106.0 36.0 -33.8 -63.9 29.5 40.0 15.4 398 188 B K H > S+ 0 0 120 -165,-0.2 4,-2.1 1,-0.2 5,-0.1 0.883 119.3 49.6 -67.4 -38.2 29.5 37.4 12.6 399 189 B L H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.894 109.8 51.6 -67.2 -42.1 26.3 35.8 13.7 400 190 B K H X S+ 0 0 135 -4,-3.2 4,-1.1 2,-0.2 -2,-0.2 0.917 110.1 48.7 -60.5 -45.4 24.5 39.1 13.9 401 191 B A H X S+ 0 0 65 -4,-2.0 4,-0.5 -5,-0.3 3,-0.4 0.927 114.0 47.5 -60.6 -44.5 25.7 40.0 10.4 402 192 B F H >< S+ 0 0 15 -4,-2.1 3,-1.4 1,-0.2 6,-0.4 0.928 107.8 53.1 -64.4 -47.1 24.5 36.7 9.1 403 193 B L H 3< S+ 0 0 29 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.715 112.0 47.8 -62.8 -20.8 21.0 36.8 10.7 404 194 B A H 3< S+ 0 0 75 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.509 92.4 104.9 -96.4 -7.1 20.5 40.1 9.1 405 195 B S S XX S- 0 0 24 -3,-1.4 4,-2.7 -4,-0.5 3,-1.5 -0.386 79.5-121.9 -77.7 152.5 21.6 39.0 5.6 406 196 B P H 3> S+ 0 0 92 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.850 110.6 70.2 -57.5 -34.5 19.2 38.3 2.7 407 197 B E H 34 S+ 0 0 100 2,-0.2 -4,-0.1 1,-0.2 -5,-0.1 0.797 115.9 21.0 -52.2 -34.8 20.7 34.9 2.6 408 198 B Y H X4 S+ 0 0 22 -3,-1.5 3,-1.5 -6,-0.4 -1,-0.2 0.850 124.4 50.8-100.9 -54.5 19.0 34.1 5.9 409 199 B V H 3< S+ 0 0 70 -4,-2.7 -2,-0.2 -7,-0.3 -6,-0.1 0.828 109.3 50.5 -56.8 -38.0 16.1 36.6 6.1 410 200 B N T 3< S+ 0 0 124 -4,-2.2 -1,-0.3 -5,-0.3 -3,-0.1 0.355 90.8 89.8 -88.2 7.3 14.7 35.9 2.6 411 201 B L S < S- 0 0 43 -3,-1.5 -191,-0.2 -5,-0.1 -190,-0.0 -0.867 83.3-118.1-102.0 130.9 14.6 32.1 3.0 412 202 B P - 0 0 65 0, 0.0 -191,-2.4 0, 0.0 -190,-0.2 -0.362 15.5-129.8 -66.2 153.9 11.3 30.8 4.4 413 203 B I S S+ 0 0 7 -193,-0.2 -191,-2.6 -192,-0.2 2,-0.3 0.965 88.9 17.2 -68.0 -49.5 11.6 28.9 7.8 414 204 B N S > S- 0 0 8 4,-0.4 3,-0.7 -193,-0.1 -1,-0.1 -0.749 78.6-116.8-119.4 167.3 9.6 25.9 6.6 415 205 B G T 3 S+ 0 0 53 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.683 104.7 57.1 -79.8 -17.6 8.6 24.6 3.2 416 206 B N T 3 S- 0 0 58 2,-0.2 -1,-0.2 -4,-0.0 3,-0.1 0.270 110.7-107.8 -99.0 12.4 4.9 24.8 3.5 417 207 B G S < S+ 0 0 70 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.605 81.7 121.9 75.9 8.8 4.6 28.6 4.2 418 208 B K 0 0 62 1,-0.1 -4,-0.4 -101,-0.0 -1,-0.3 -0.790 360.0 360.0-105.8 150.0 3.7 27.9 7.9 419 209 B Q 0 0 102 -2,-0.3 -1,-0.1 -3,-0.1 -102,-0.0 0.246 360.0 360.0-170.1 360.0 5.6 29.2 10.9