==== 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 10-MAR-98 22GS . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE P1-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.J.OAKLEY . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 76.0 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 . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 47.1 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 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 2 A P 0 0 127 0, 0.0 56,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-143.4 30.6 2.8 37.7 2 3 A Y E +aB 27 56A 24 24,-0.6 26,-2.4 54,-0.2 2,-0.4 -0.851 360.0 179.3-111.3 142.5 27.5 2.6 35.5 3 4 A T E -aB 28 55A 22 52,-1.9 52,-2.5 -2,-0.4 2,-0.5 -0.993 9.8-162.0-139.7 126.5 23.9 2.6 36.4 4 5 A V E -aB 29 54A 1 24,-2.8 26,-2.9 -2,-0.4 2,-0.6 -0.954 6.1-159.6-111.7 128.6 20.9 2.4 33.9 5 6 A V E +aB 30 53A 13 48,-3.2 48,-1.8 -2,-0.5 2,-0.3 -0.938 35.8 131.0-107.9 115.4 17.5 3.5 35.3 6 7 A Y E -a 31 0A 22 24,-2.0 26,-3.0 -2,-0.6 -2,-0.0 -0.955 57.5 -85.3-157.6 170.8 14.7 2.1 33.1 7 8 A F - 0 0 51 -2,-0.3 2,-2.6 24,-0.2 26,-0.2 -0.363 60.5 -90.1 -76.0 161.1 11.4 0.3 32.9 8 9 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.377 96.7 93.1 -75.5 65.6 11.5 -3.5 32.8 9 10 A V S S- 0 0 13 -2,-2.6 193,-0.2 191,-0.2 194,-0.1 -0.934 76.9-126.2-146.5 164.7 11.7 -3.7 29.0 10 11 A R S >> S+ 0 0 35 191,-2.6 3,-2.3 -2,-0.3 4,-1.0 0.960 70.2 118.7 -77.1 -59.1 14.5 -3.9 26.4 11 12 A G G >4 S- 0 0 11 191,-2.6 3,-1.0 190,-0.3 4,-0.4 0.092 87.6 -5.8 35.3-128.4 13.3 -0.8 24.4 12 13 A R G 34 S+ 0 0 59 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.420 134.9 57.8 -76.8 1.7 15.7 2.1 24.2 13 14 A C G <> S+ 0 0 0 -3,-2.3 4,-1.9 2,-0.1 -1,-0.2 0.527 80.3 87.6-106.8 -8.6 18.2 0.4 26.6 14 15 A A H S+ 0 0 4 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.920 113.1 47.4 -63.6 -47.1 21.5 -1.4 22.4 16 17 A L H > S+ 0 0 1 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.833 112.5 51.5 -65.7 -29.2 23.5 0.3 25.2 17 18 A R H X S+ 0 0 14 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.918 108.9 49.7 -71.6 -43.2 23.2 -2.9 27.2 18 19 A M H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.910 112.4 50.1 -58.6 -42.0 24.5 -5.0 24.3 19 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.960 112.0 45.0 -61.0 -54.2 27.3 -2.5 24.1 20 21 A L H <>S+ 0 0 0 -4,-2.6 5,-3.1 1,-0.2 -2,-0.2 0.924 116.5 46.9 -57.4 -46.4 28.2 -2.6 27.8 21 22 A A H ><5S+ 0 0 14 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.939 113.5 46.3 -62.1 -49.7 28.0 -6.5 27.8 22 23 A D H 3<5S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.3 165,-0.2 0.789 111.7 52.8 -64.5 -28.6 30.0 -7.0 24.6 23 24 A Q T 3<5S- 0 0 53 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.393 115.6-116.3 -88.2 3.5 32.7 -4.5 25.9 24 25 A G T < 5 + 0 0 45 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.773 61.8 153.7 68.5 28.2 33.0 -6.4 29.2 25 26 A Q < - 0 0 67 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.2 -0.623 39.5-133.6 -91.6 149.6 31.7 -3.5 31.2 26 27 A S + 0 0 96 -2,-0.2 -24,-0.6 2,-0.0 2,-0.3 -0.816 32.3 165.4 -99.8 140.5 29.9 -3.9 34.6 27 28 A W E -a 2 0A 51 -2,-0.4 2,-0.4 -26,-0.1 -24,-0.2 -0.966 31.1-124.3-149.7 162.4 26.7 -1.9 35.3 28 29 A K E -a 3 0A 104 -26,-2.4 -24,-2.8 -2,-0.3 2,-0.5 -0.886 18.1-143.3-110.4 141.2 23.8 -1.8 37.7 29 30 A E E -a 4 0A 47 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.924 9.4-167.5-106.7 123.6 20.2 -2.0 36.6 30 31 A E E -a 5 0A 90 -26,-2.9 -24,-2.0 -2,-0.5 2,-0.4 -0.949 18.5-149.1-109.9 107.9 17.7 0.2 38.5 31 32 A V E -a 6 0A 91 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.2 -0.670 7.2-158.2 -86.1 127.6 14.3 -1.1 37.5 32 33 A V - 0 0 9 -26,-3.0 2,-0.1 -2,-0.4 -2,-0.0 -0.908 8.8-152.2-108.1 117.3 11.4 1.4 37.5 33 34 A T > - 0 0 42 -2,-0.6 4,-2.7 -26,-0.2 5,-0.2 -0.478 28.2-112.9 -83.5 157.9 7.9 -0.1 37.7 34 35 A V H > S+ 0 0 85 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.835 118.9 56.5 -57.7 -33.9 4.9 1.6 36.2 35 36 A E H > S+ 0 0 134 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.966 109.3 43.6 -61.8 -53.4 3.6 2.1 39.7 36 37 A T H >> S+ 0 0 65 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.899 114.7 50.9 -58.5 -42.8 6.7 4.0 40.7 37 38 A W H >< S+ 0 0 41 -4,-2.7 3,-1.1 1,-0.2 6,-0.4 0.923 108.0 51.4 -62.5 -45.0 6.7 5.9 37.5 38 39 A Q H 3< S+ 0 0 150 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.652 91.7 75.7 -68.8 -15.1 3.1 6.9 37.9 39 40 A E H << S- 0 0 131 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.899 95.9-144.2 -61.7 -38.1 3.8 8.2 41.5 40 41 A G S S+ 0 0 62 2,-0.2 4,-1.6 -5,-0.2 5,-0.1 0.925 87.1 46.8 -61.0 -47.1 8.5 12.1 41.7 42 43 A L H >> S+ 0 0 34 -6,-0.4 3,-0.7 1,-0.2 4,-0.7 0.966 113.6 48.3 -58.1 -55.4 11.0 10.2 39.6 43 44 A K H >4 S+ 0 0 86 -6,-0.4 3,-1.4 1,-0.3 6,-0.3 0.893 108.1 55.2 -51.8 -45.7 9.6 11.5 36.3 44 45 A A H 3< S+ 0 0 85 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.851 106.7 51.3 -57.8 -36.2 9.6 15.1 37.6 45 46 A S H << S+ 0 0 70 -4,-1.6 2,-0.4 -3,-0.7 -1,-0.3 0.547 88.4 99.5 -79.4 -10.4 13.3 14.8 38.4 46 47 A C S X< S- 0 0 7 -3,-1.4 3,-1.9 -4,-0.7 5,-0.1 -0.665 80.1-127.9 -80.8 132.5 14.1 13.6 34.9 47 48 A L T 3 S+ 0 0 30 -2,-0.4 -1,-0.1 1,-0.3 292,-0.1 0.864 108.2 19.0 -44.0 -52.3 15.5 16.3 32.7 48 49 A F T 3 S- 0 0 41 2,-0.3 -1,-0.3 288,-0.1 3,-0.1 0.011 115.6-104.7-110.5 23.4 13.0 15.7 29.9 49 50 A G S < S+ 0 0 12 -3,-1.9 2,-0.3 -6,-0.3 -2,-0.1 0.735 87.9 93.4 61.4 28.1 10.6 13.8 32.1 50 51 A Q - 0 0 114 2,-0.1 -2,-0.3 -8,-0.1 -1,-0.2 -0.936 63.0 -88.8-147.0 166.9 11.6 10.4 30.6 51 52 A L S S+ 0 0 19 -2,-0.3 2,-0.1 -3,-0.1 -45,-0.1 -0.772 74.9 77.7-113.3 162.9 13.8 7.3 31.0 52 53 A P - 0 0 4 0, 0.0 11,-0.9 0, 0.0 2,-0.4 0.374 56.5-178.0 -67.3 153.8 16.4 6.0 30.5 53 54 A K E -BC 5 62A 39 -48,-1.8 -48,-3.2 9,-0.2 2,-0.4 -0.957 8.9-163.6-118.3 138.1 18.4 7.8 33.0 54 55 A F E -BC 4 61A 0 7,-2.9 7,-3.4 -2,-0.4 2,-0.4 -0.983 9.3-161.4-131.5 140.1 22.1 6.9 33.1 55 56 A Q E +BC 3 60A 58 -52,-2.5 -52,-1.9 -2,-0.4 2,-0.5 -0.982 12.2 177.1-125.2 128.9 24.8 7.4 35.7 56 57 A D E > S-BC 2 59A 43 3,-2.6 3,-2.1 -2,-0.4 2,-0.2 -0.887 77.4 -55.5-125.0 91.2 28.6 7.3 35.1 57 58 A G T 3 S- 0 0 50 -56,-2.0 -54,-0.1 -2,-0.5 -1,-0.0 -0.548 120.9 -21.9 68.8-132.8 30.0 8.2 38.4 58 59 A D T 3 S+ 0 0 148 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.353 114.7 107.2 -91.5 8.2 28.4 11.6 39.2 59 60 A L E < -C 56 0A 12 -3,-2.1 -3,-2.6 2,-0.0 2,-0.5 -0.782 55.6-163.3 -87.0 117.7 27.7 12.3 35.6 60 61 A T E -C 55 0A 51 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.910 9.8-175.2-107.0 125.3 23.9 11.9 35.1 61 62 A L E -C 54 0A 0 -7,-3.4 -7,-2.9 -2,-0.5 2,-0.3 -0.850 12.5-168.7-120.5 154.5 22.7 11.5 31.5 62 63 A Y E +C 53 0A 24 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.917 52.9 61.4-132.9 159.6 19.3 11.3 29.8 63 64 A Q S >> S- 0 0 28 -11,-0.9 4,-2.1 -2,-0.3 3,-0.8 0.703 72.1-122.8 87.7 110.9 18.5 10.3 26.1 64 65 A S H 3> S+ 0 0 7 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.859 111.8 49.2 -51.5 -41.7 19.4 6.9 24.9 65 66 A N H 3> S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.797 107.6 55.5 -71.3 -25.8 21.5 8.2 22.0 66 67 A T H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.927 109.3 47.1 -68.7 -43.4 23.4 10.5 24.4 67 68 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.903 112.4 50.0 -63.2 -42.0 24.2 7.4 26.5 68 69 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.932 112.9 45.3 -63.3 -46.9 25.3 5.5 23.4 69 70 A R H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.863 111.5 53.9 -65.4 -35.1 27.6 8.4 22.1 70 71 A H H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.948 112.6 42.2 -63.5 -48.3 29.0 8.8 25.6 71 72 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 6,-0.2 0.892 114.1 52.9 -65.5 -39.5 30.0 5.1 25.9 72 73 A G H X>S+ 0 0 0 -4,-2.6 5,-3.0 -5,-0.2 4,-0.5 0.899 112.6 45.0 -63.0 -38.5 31.2 5.2 22.3 73 74 A R H ><5S+ 0 0 49 -4,-2.3 3,-0.6 3,-0.2 -2,-0.2 0.956 119.7 38.9 -69.8 -50.3 33.4 8.2 23.1 74 75 A T H 3<5S+ 0 0 39 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.723 121.6 43.1 -75.6 -22.5 34.8 6.9 26.4 75 76 A L H 3<5S- 0 0 40 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.356 112.8-111.3-103.8 3.5 35.1 3.3 25.3 76 77 A G T <<5S+ 0 0 45 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.905 77.3 127.4 69.7 42.4 36.6 4.0 21.8 77 78 A L < + 0 0 7 -5,-3.0 72,-2.5 -6,-0.2 73,-0.3 -0.374 44.3 91.7-123.4 51.8 33.7 2.9 19.7 78 79 A Y S S- 0 0 22 1,-0.5 -1,-0.1 -6,-0.2 70,-0.1 -0.146 96.6 -80.2-138.6 37.0 33.3 6.1 17.6 79 80 A G - 0 0 17 68,-0.3 -1,-0.5 1,-0.1 3,-0.1 0.013 42.6 -90.6 85.3 165.1 35.4 5.5 14.5 80 81 A K S S- 0 0 130 -3,-0.1 2,-0.3 66,-0.1 -1,-0.1 0.639 101.3 -0.8 -90.3 -15.3 39.2 5.9 14.0 81 82 A D S > S- 0 0 67 -3,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.896 89.3 -77.2-156.5-176.0 39.0 9.5 13.0 82 83 A Q H > S+ 0 0 97 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.848 123.9 54.1 -62.2 -37.6 36.7 12.5 12.4 83 84 A Q H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.955 112.6 43.4 -62.4 -48.5 35.5 11.2 9.0 84 85 A E H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.877 109.6 57.2 -64.4 -38.7 34.5 7.9 10.5 85 86 A A H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.904 107.3 48.8 -59.4 -39.9 32.9 9.6 13.5 86 87 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.880 111.6 48.2 -67.0 -38.5 30.7 11.6 11.2 87 88 A L H X S+ 0 0 43 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.859 109.3 53.5 -69.2 -35.4 29.7 8.4 9.3 88 89 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.904 110.2 48.1 -64.2 -40.5 29.0 6.7 12.6 89 90 A D H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.916 109.1 53.2 -65.8 -43.3 26.7 9.6 13.5 90 91 A M H X S+ 0 0 9 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.907 110.8 46.7 -59.2 -43.4 25.0 9.4 10.1 91 92 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.932 113.1 48.8 -64.9 -45.7 24.3 5.7 10.6 92 93 A N H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.881 109.3 51.8 -63.2 -38.7 23.0 6.2 14.2 93 94 A D H X S+ 0 0 14 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.890 111.2 48.9 -63.7 -38.4 20.7 9.1 13.1 94 95 A G H X S+ 0 0 4 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.908 111.1 49.2 -66.6 -41.5 19.3 6.8 10.4 95 96 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.936 111.2 50.3 -62.1 -46.7 18.8 4.0 13.0 96 97 A E H X S+ 0 0 27 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.890 106.5 55.7 -59.5 -40.9 17.1 6.5 15.3 97 98 A D H X S+ 0 0 55 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.912 112.3 41.0 -58.9 -46.0 14.8 7.7 12.5 98 99 A L H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.850 111.1 57.8 -72.4 -32.8 13.5 4.2 11.8 99 100 A R H X S+ 0 0 11 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.907 104.2 52.5 -62.9 -39.7 13.3 3.4 15.5 100 101 A C H X S+ 0 0 55 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.897 110.0 47.6 -63.7 -38.7 11.0 6.3 15.9 101 102 A K H X S+ 0 0 100 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.903 113.0 49.6 -67.1 -39.3 8.7 5.0 13.2 102 103 A Y H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.926 111.9 47.3 -63.2 -47.0 8.9 1.6 14.8 103 104 A I H X S+ 0 0 45 -4,-3.1 4,-2.6 1,-0.2 5,-0.4 0.913 110.2 53.4 -62.6 -41.7 8.0 3.0 18.2 104 105 A S H X>S+ 0 0 56 -4,-2.5 4,-3.1 -5,-0.2 5,-0.7 0.931 111.4 45.8 -59.3 -45.6 5.2 5.0 16.6 105 106 A L H X5S+ 0 0 6 -4,-2.3 4,-1.5 3,-0.2 -2,-0.2 0.978 112.8 49.3 -60.8 -56.4 3.7 1.8 15.1 106 107 A I H <5S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.866 127.8 23.1 -50.6 -46.3 4.0 -0.3 18.2 107 108 A Y H <5S+ 0 0 114 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.677 128.9 41.1 -98.6 -19.4 2.4 2.3 20.5 108 109 A T H <5S- 0 0 102 -4,-3.1 -3,-0.2 -5,-0.4 -2,-0.2 0.825 132.0 -13.7-100.4 -39.4 0.3 4.4 18.0 109 110 A N X< + 0 0 69 -4,-1.5 4,-1.8 -5,-0.7 -3,-0.2 -0.221 64.9 153.3-166.9 69.1 -1.4 2.1 15.5 110 111 A Y H > S+ 0 0 35 -4,-0.3 4,-2.0 3,-0.2 5,-0.2 0.977 78.7 45.6 -61.1 -60.3 -0.0 -1.5 15.4 111 112 A E H 4 S+ 0 0 128 1,-0.2 4,-0.4 2,-0.2 3,-0.2 0.928 122.6 32.1 -51.4 -59.8 -3.2 -3.2 14.2 112 113 A A H 4 S+ 0 0 88 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.815 126.6 40.5 -73.2 -32.2 -4.1 -0.7 11.4 113 114 A G H X S+ 0 0 11 -4,-1.8 4,-2.3 -8,-0.2 -2,-0.2 0.558 87.0 89.9 -97.3 -5.4 -0.6 0.3 10.4 114 115 A K H X S+ 0 0 46 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.905 88.0 48.9 -57.3 -49.0 1.4 -3.0 10.5 115 116 A D H > S+ 0 0 114 -4,-0.4 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111.2 52.7 -65.1 -44.2 17.5 -5.3 12.9 159 160 A L H X S+ 0 0 34 -4,-2.9 4,-1.1 1,-0.2 3,-0.2 0.938 111.1 45.3 -58.7 -48.2 16.8 -7.8 15.7 160 161 A I H X S+ 0 0 5 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.788 110.9 53.7 -69.2 -25.4 13.5 -6.2 16.7 161 162 A H H X S+ 0 0 0 -4,-1.5 4,-3.7 -5,-0.3 -1,-0.2 0.823 102.1 58.0 -77.6 -27.4 12.4 -5.9 13.1 162 163 A E H < S+ 0 0 52 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.824 109.5 46.2 -66.1 -31.8 13.0 -9.7 12.5 163 164 A V H < S+ 0 0 59 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.888 116.3 44.2 -76.5 -40.4 10.5 -10.2 15.3 164 165 A L H < S+ 0 0 4 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.909 134.0 16.3 -69.5 -43.7 8.1 -7.7 13.8 165 166 A A S >< S- 0 0 12 -4,-3.7 3,-2.4 -5,-0.1 -1,-0.3 -0.698 85.0-145.9-133.1 79.1 8.5 -9.0 10.2 166 167 A P T 3 S+ 0 0 108 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.153 85.4 18.5 -46.9 131.1 10.1 -12.4 10.2 167 168 A G T > S+ 0 0 24 -5,-0.1 3,-2.3 1,-0.0 4,-0.4 0.421 79.2 130.9 87.0 -1.0 12.3 -12.8 7.2 168 169 A C T < S+ 0 0 24 -3,-2.4 3,-0.4 1,-0.3 -6,-0.1 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-1,-0.1 -3,-0.1 -102,-0.1 0.303 360.0 360.0-166.4 360.0 6.3 -6.6 18.9 209 !* 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 0.0 210 2 B P 0 0 126 0, 0.0 56,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-139.0 35.1 23.7 1.3 211 3 B Y E +dE 236 265B 25 24,-0.6 26,-2.5 54,-0.2 2,-0.4 -0.903 360.0 178.9-115.8 142.8 31.5 23.3 2.5 212 4 B T E -dE 237 264B 22 52,-1.8 52,-2.5 -2,-0.4 2,-0.5 -0.989 9.7-162.5-140.3 125.8 28.4 22.8 0.4 213 5 B V E -dE 238 263B 1 24,-2.7 26,-2.9 -2,-0.4 2,-0.6 -0.952 6.3-159.1-111.4 128.5 24.9 22.4 1.8 214 6 B V E +dE 239 262B 13 48,-3.2 48,-1.8 -2,-0.5 2,-0.3 -0.935 35.8 130.5-107.0 116.1 22.2 21.0 -0.6 215 7 B Y E -d 240 0B 22 24,-2.0 26,-3.0 -2,-0.6 -2,-0.0 -0.963 57.6 -84.6-158.7 171.0 18.7 21.9 0.5 216 8 B F - 0 0 51 -2,-0.3 2,-2.7 24,-0.2 26,-0.2 -0.362 60.3 -90.7 -76.0 160.6 15.3 23.2 -0.4 217 9 B P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.361 96.5 93.6 -75.3 64.9 14.8 27.0 -0.3 218 10 B V S S- 0 0 13 -2,-2.7 193,-0.2 1,-0.2 194,-0.1 -0.931 76.8-126.6-145.4 164.4 13.7 27.0 3.3 219 11 B R S >> S+ 0 0 36 191,-2.7 3,-2.3 -2,-0.3 4,-1.0 0.960 70.4 118.4 -76.8 -59.5 15.5 27.6 6.7 220 12 B G G >4 S- 0 0 14 191,-2.7 3,-0.9 190,-0.3 4,-0.4 0.075 87.8 -5.7 35.4-128.1 14.1 24.3 8.2 221 13 B R G 34 S+ 0 0 59 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.415 134.9 57.5 -77.3 1.7 16.7 21.8 9.2 222 14 B C G <> S+ 0 0 0 -3,-2.3 4,-1.9 2,-0.1 -1,-0.2 0.531 80.5 87.9-106.8 -8.8 19.6 23.8 7.8 223 15 B A H S+ 0 0 3 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.915 113.4 47.2 -62.9 -46.1 21.1 26.0 12.8 225 17 B L H > S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.831 112.5 51.6 -67.1 -29.8 24.1 24.7 10.9 226 18 B R H X S+ 0 0 13 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.915 108.9 49.7 -70.5 -43.6 24.0 27.9 8.7 227 19 B M H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.915 112.4 50.2 -58.8 -42.0 24.0 30.0 11.8 228 20 B L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.958 111.7 45.2 -60.9 -54.3 26.9 28.0 13.1 229 21 B L H <>S+ 0 0 0 -4,-2.7 5,-3.2 2,-0.2 -2,-0.2 0.921 116.3 47.0 -57.4 -45.6 28.9 28.3 9.9 230 22 B A H ><5S+ 0 0 15 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.946 113.4 46.5 -62.3 -50.5 28.2 32.1 9.7 231 23 B D H 3<5S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.3 165,-0.2 0.785 111.5 52.7 -63.9 -27.9 29.0 32.8 13.3 232 24 B Q T 3<5S- 0 0 52 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.367 115.9-116.3 -89.4 4.2 32.2 30.8 13.0 233 25 B G T < 5 + 0 0 43 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.780 62.2 152.7 68.1 28.7 33.3 32.8 10.0 234 26 B Q < - 0 0 67 -5,-3.2 2,-0.4 -6,-0.2 -1,-0.2 -0.616 39.4-134.5 -91.8 151.9 33.1 29.8 7.7 235 27 B S + 0 0 99 -2,-0.2 -24,-0.6 2,-0.0 2,-0.3 -0.838 31.2 166.6-103.4 141.5 32.5 30.0 3.9 236 28 B W E -d 211 0B 47 -2,-0.4 2,-0.4 -26,-0.1 -24,-0.2 -0.972 31.0-122.9-150.3 162.4 30.1 27.6 2.3 237 29 B K E -d 212 0B 104 -26,-2.5 -24,-2.7 -2,-0.3 2,-0.6 -0.880 18.7-143.9-109.7 140.5 28.2 27.1 -1.0 238 30 B E E -d 213 0B 46 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.923 9.2-167.6-106.4 123.7 24.4 26.8 -1.1 239 31 B E E -d 214 0B 93 -26,-2.9 -24,-2.0 -2,-0.6 2,-0.4 -0.943 18.3-149.5-110.2 106.4 23.0 24.4 -3.7 240 32 B V E -d 215 0B 89 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.2 -0.661 6.8-158.0 -84.6 127.5 19.3 25.1 -3.8 241 33 B V - 0 0 9 -26,-3.0 2,-0.1 -2,-0.4 -2,-0.0 -0.909 8.9-151.6-107.8 118.2 16.9 22.3 -4.7 242 34 B T > - 0 0 41 -2,-0.6 4,-2.7 -26,-0.2 5,-0.2 -0.484 27.9-113.1 -84.4 157.9 13.5 23.2 -6.1 243 35 B V H > S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.831 118.9 56.3 -57.6 -33.8 10.4 21.1 -5.6 244 36 B E H > S+ 0 0 134 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.964 109.5 43.5 -62.2 -53.5 10.4 20.5 -9.3 245 37 B T H >> S+ 0 0 66 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.897 114.7 50.9 -58.8 -42.9 14.0 19.1 -9.3 246 38 B W H >< S+ 0 0 41 -4,-2.7 3,-1.2 1,-0.2 6,-0.4 0.921 107.8 51.8 -62.0 -45.1 13.2 17.1 -6.2 247 39 B Q H 3< S+ 0 0 150 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.631 91.5 76.1 -68.6 -13.9 10.1 15.6 -7.7 248 40 B E H << S- 0 0 132 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.891 95.7-144.1 -62.8 -37.6 12.1 14.5 -10.8 249 41 B G S S+ 0 0 63 2,-0.2 4,-1.6 -5,-0.2 5,-0.1 0.920 87.2 46.9 -61.5 -46.8 17.1 11.3 -9.4 251 43 B L H >> S+ 0 0 30 -6,-0.4 3,-0.8 1,-0.2 4,-0.7 0.972 113.8 47.9 -58.6 -56.3 18.5 13.5 -6.6 252 44 B K H >4 S+ 0 0 89 -6,-0.4 3,-1.4 1,-0.3 6,-0.3 0.888 108.3 55.3 -51.1 -45.6 16.3 11.9 -4.0 253 45 B A H 3< S+ 0 0 82 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.855 106.8 51.2 -57.7 -36.2 17.2 8.4 -5.2 254 46 B S H << S+ 0 0 70 -4,-1.6 2,-0.4 -3,-0.8 -1,-0.3 0.559 88.5 99.2 -79.0 -11.3 20.9 9.3 -4.7 255 47 B C S X< S- 0 0 6 -3,-1.4 3,-1.7 -4,-0.7 5,-0.1 -0.650 79.9-128.2 -80.0 131.4 20.4 10.5 -1.2 256 48 B L T 3 S+ 0 0 31 -2,-0.4 -1,-0.1 1,-0.3 -126,-0.1 0.874 108.2 19.4 -42.8 -51.7 21.4 7.9 1.4 257 49 B F T 3 S- 0 0 41 2,-0.3 -1,-0.3 -130,-0.1 3,-0.1 0.035 115.3-105.5-111.4 23.9 18.1 8.1 3.3 258 50 B G S < S+ 0 0 13 -3,-1.7 2,-0.3 -6,-0.3 -2,-0.1 0.767 87.6 94.0 59.8 30.0 16.2 9.7 0.4 259 51 B Q - 0 0 115 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.950 63.3 -89.4-147.4 165.6 16.2 13.2 2.0 260 52 B L S S+ 0 0 17 -2,-0.3 2,-0.1 -3,-0.1 -45,-0.1 -0.773 75.0 78.4-112.4 162.7 17.9 16.5 2.3 261 53 B P - 0 0 4 0, 0.0 11,-0.9 0, 0.0 2,-0.4 0.375 56.4-178.3 -67.4 154.2 20.0 18.2 3.6 262 54 B K E -EF 214 271B 39 -48,-1.8 -48,-3.2 9,-0.2 2,-0.4 -0.960 9.1-163.2-119.5 137.2 23.0 16.7 1.9 263 55 B F E -EF 213 270B 0 7,-3.0 7,-3.3 -2,-0.4 2,-0.5 -0.979 9.5-161.4-131.4 140.3 26.3 18.2 3.0 264 56 B Q E +EF 212 269B 59 -52,-2.5 -52,-1.8 -2,-0.4 2,-0.5 -0.979 11.8 176.6-125.9 128.2 29.8 18.1 1.5 265 57 B D E > S-EF 211 268B 45 3,-2.7 3,-2.1 -2,-0.5 2,-0.3 -0.901 76.4 -54.9-124.7 94.4 33.0 18.8 3.2 266 58 B G T 3 S- 0 0 54 -56,-1.8 -54,-0.0 -2,-0.5 -1,-0.0 -0.542 121.0 -23.2 67.3-130.5 35.7 18.2 0.6 267 59 B D T 3 S+ 0 0 144 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.263 115.2 106.0 -96.9 13.2 35.0 14.7 -0.6 268 60 B L E < -F 265 0B 12 -3,-2.1 -3,-2.7 2,-0.0 2,-0.5 -0.827 56.0-162.2 -90.7 125.1 33.2 13.7 2.6 269 61 B T E -F 264 0B 51 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.958 10.3-175.4-113.3 126.9 29.4 13.6 1.9 270 62 B L E -F 263 0B 0 -7,-3.3 -7,-3.0 -2,-0.5 2,-0.3 -0.858 12.5-168.6-122.9 155.5 27.0 13.6 4.8 271 63 B Y E +F 262 0B 25 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.913 52.8 62.2-134.2 159.6 23.3 13.4 5.4 272 64 B Q S >> S- 0 0 29 -11,-0.9 4,-2.1 -2,-0.3 3,-0.7 0.695 72.1-122.8 88.0 111.7 21.2 14.1 8.5 273 65 B S H 3> S+ 0 0 9 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.855 111.7 49.3 -52.7 -41.3 21.1 17.6 9.9 274 66 B N H 3> S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.809 107.6 55.4 -71.1 -26.8 22.4 16.5 13.4 275 67 B T H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.923 109.6 46.9 -67.8 -43.5 25.2 14.6 11.8 276 68 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.905 112.3 50.5 -64.1 -41.6 26.2 17.7 10.0 277 69 B L H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.940 112.9 44.8 -62.6 -48.2 26.0 19.7 13.2 278 70 B R H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.858 111.8 53.9 -64.9 -35.2 28.1 17.2 15.2 279 71 B H H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.951 112.3 42.6 -63.7 -48.4 30.6 17.1 12.3 280 72 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 6,-0.2 0.891 115.0 51.3 -64.5 -39.9 31.1 20.8 12.3 281 73 B G H X>S+ 0 0 0 -4,-2.6 5,-2.9 -5,-0.2 4,-0.5 0.909 112.7 46.0 -64.0 -40.3 31.1 20.9 16.1 282 74 B R H <5S+ 0 0 49 -4,-2.7 3,-0.4 3,-0.2 -2,-0.2 0.945 120.0 37.9 -66.6 -49.4 33.8 18.1 16.2 283 75 B T H <5S+ 0 0 41 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.735 121.3 43.6 -77.3 -24.5 36.0 19.7 13.5 284 76 B L H <5S- 0 0 43 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.340 113.1-110.7-101.4 3.3 35.5 23.4 14.6 285 77 B G T <5S+ 0 0 45 -4,-0.5 -3,-0.2 -3,-0.4 -4,-0.1 0.901 77.8 127.6 70.1 42.3 35.8 22.8 18.3 286 78 B L < + 0 0 8 -5,-2.9 72,-2.5 -6,-0.2 73,-0.3 -0.389 44.3 91.9-123.3 51.8 32.2 23.4 19.3 287 79 B Y S S- 0 0 23 1,-0.5 -1,-0.1 -6,-0.2 70,-0.1 -0.126 96.5 -80.7-138.3 36.9 31.7 20.2 21.2 288 80 B G - 0 0 18 68,-0.3 -1,-0.5 1,-0.1 65,-0.1 0.010 42.9 -90.2 84.6 165.0 32.6 20.9 24.9 289 81 B K S S- 0 0 132 -3,-0.1 2,-0.3 66,-0.1 -1,-0.1 0.639 101.2 -0.7 -90.0 -15.2 35.9 21.1 26.6 290 82 B D S > S- 0 0 73 -3,-0.1 4,-2.5 1,-0.0 5,-0.2 -0.900 89.2 -77.1-157.0-176.4 36.0 17.4 27.6 291 83 B Q H > S+ 0 0 96 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.855 124.0 53.9 -61.8 -38.2 34.1 14.1 27.4 292 84 B Q H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.958 112.8 43.1 -61.9 -48.8 31.7 15.1 30.2 293 85 B E H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.882 109.8 57.5 -64.3 -38.7 30.7 18.3 28.4 294 86 B A H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.903 107.2 48.9 -59.4 -39.3 30.5 16.5 25.1 295 87 B A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.882 111.6 48.0 -67.3 -39.5 27.9 14.2 26.6 296 88 B L H X S+ 0 0 44 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.865 109.2 53.9 -68.7 -36.2 25.9 17.1 28.0 297 89 B V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.908 110.3 48.1 -63.0 -40.6 26.1 18.8 24.6 298 90 B D H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.916 109.0 52.9 -65.3 -44.5 24.7 15.6 23.1 299 91 B M H X S+ 0 0 8 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.897 110.8 46.9 -58.9 -42.6 21.9 15.5 25.7 300 92 B V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.939 113.2 48.5 -65.7 -46.4 20.9 19.1 24.9 301 93 B N H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.881 109.4 51.9 -62.5 -39.0 20.9 18.4 21.2 302 94 B D H X S+ 0 0 14 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.893 111.2 48.9 -63.7 -38.9 18.9 15.3 21.5 303 95 B G H X S+ 0 0 4 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.902 111.0 49.1 -66.7 -41.3 16.4 17.3 23.6 304 96 B V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.937 111.2 50.5 -62.0 -46.2 16.3 20.0 20.9 305 97 B E H X S+ 0 0 28 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.892 106.6 55.5 -59.7 -40.8 15.8 17.4 18.2 306 98 B D H X S+ 0 0 54 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.913 112.5 40.7 -59.1 -46.0 12.9 15.8 20.2 307 99 B L H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.847 111.2 57.9 -72.8 -33.4 11.0 19.1 20.4 308 100 B R H X S+ 0 0 9 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.913 104.4 52.5 -61.7 -40.3 11.9 19.9 16.7 309 101 B C H X S+ 0 0 55 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.886 110.0 47.5 -63.1 -38.9 10.3 16.7 15.6 310 102 B K H X S+ 0 0 101 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.891 112.9 49.8 -67.7 -38.8 7.1 17.6 17.5 311 103 B Y H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.924 111.9 47.3 -63.6 -46.5 7.3 21.1 15.9 312 104 B I H X S+ 0 0 45 -4,-3.1 4,-2.5 1,-0.2 5,-0.4 0.904 110.3 53.1 -63.5 -40.9 7.7 19.6 12.5 313 105 B S H X>S+ 0 0 56 -4,-2.3 4,-3.1 -5,-0.2 5,-0.7 0.929 111.4 46.0 -60.6 -45.0 4.9 17.2 13.1 314 106 B L H X5S+ 0 0 5 -4,-2.3 4,-1.5 3,-0.2 -2,-0.2 0.978 112.9 49.3 -60.6 -56.8 2.6 20.1 14.0 315 107 B I H <5S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.863 127.9 22.8 -50.3 -45.8 3.6 22.3 11.1 316 108 B Y H <5S+ 0 0 114 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.682 128.9 41.4 -99.7 -19.9 3.1 19.5 8.5 317 109 B T H <5S- 0 0 103 -4,-3.1 -3,-0.2 -5,-0.4 -2,-0.2 0.831 131.8 -14.1 -99.7 -39.7 0.7 17.1 10.2 318 110 B N X< + 0 0 68 -4,-1.5 4,-1.9 -5,-0.7 5,-0.2 -0.219 64.8 153.5-167.1 69.5 -2.0 19.1 11.9 319 111 B Y H > S+ 0 0 36 -4,-0.3 4,-2.2 3,-0.2 5,-0.2 0.980 78.7 45.6 -61.7 -60.3 -1.3 22.8 12.4 320 112 B E H 4 S+ 0 0 130 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.920 122.7 32.2 -51.4 -58.5 -4.9 24.0 12.5 321 113 B A H 4 S+ 0 0 86 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.809 126.7 40.0 -74.0 -32.7 -6.3 21.4 14.9 322 114 B G H X S+ 0 0 10 -4,-1.9 4,-2.3 -8,-0.2 5,-0.2 0.570 87.1 89.7 -97.0 -7.6 -3.2 20.8 17.0 323 115 B K H X S+ 0 0 45 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.905 87.5 50.4 -55.3 -48.0 -1.7 24.3 17.5 324 116 B D H > S+ 0 0 111 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.928 113.6 44.2 -59.0 -47.4 -3.6 25.2 20.7 325 117 B D H > S+ 0 0 105 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.891 113.1 52.8 -64.2 -39.7 -2.7 22.0 22.4 326 118 B Y H X S+ 0 0 30 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.924 110.3 46.9 -61.3 -46.3 0.9 22.3 21.3 327 119 B V H < S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 109.6 53.0 -66.3 -35.6 1.2 25.8 22.6 328 120 B K H < S+ 0 0 152 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.873 113.1 45.6 -66.2 -35.0 -0.4 24.9 25.9 329 121 B A H >X S+ 0 0 51 -4,-1.8 4,-1.1 1,-0.2 3,-0.6 0.660 91.4 88.0 -79.7 -19.5 2.2 22.1 26.2 330 122 B L H >X S+ 0 0 3 -4,-1.2 4,-2.1 1,-0.2 3,-1.0 0.879 78.7 58.1 -49.3 -52.2 5.1 24.4 25.1 331 123 B P H 3> S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.900 107.2 48.9 -48.6 -44.9 6.1 25.7 28.6 332 124 B G H <4 S+ 0 0 46 -3,-0.6 -2,-0.2 -4,-0.3 -3,-0.1 0.776 111.7 50.1 -66.1 -26.4 6.7 22.2 29.8 333 125 B Q H << S+ 0 0 66 -4,-1.1 4,-0.3 -3,-1.0 -1,-0.2 0.755 114.4 43.7 -81.8 -27.3 8.8 21.5 26.8 334 126 B L H >X S+ 0 0 0 -4,-2.1 4,-1.3 -3,-0.2 3,-1.2 0.775 93.8 80.5 -87.4 -30.0 10.9 24.7 27.2 335 127 B K H 3X S+ 0 0 125 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.825 84.0 60.6 -46.1 -43.6 11.4 24.4 31.0 336 128 B P H 3> S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.876 105.0 48.2 -57.7 -36.5 14.3 21.8 30.7 337 129 B F H <> S+ 0 0 2 -3,-1.2 4,-2.1 -4,-0.3 -2,-0.2 0.850 110.5 51.1 -73.6 -30.7 16.5 24.2 28.7 338 130 B E H X S+ 0 0 25 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.902 111.5 49.1 -68.9 -40.1 15.8 27.0 31.2 339 131 B T H X S+ 0 0 59 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.920 108.3 52.7 -64.1 -45.4 16.8 24.6 34.0 340 132 B L H >< S+ 0 0 18 -4,-2.5 3,-0.5 1,-0.2 4,-0.3 0.928 111.1 47.4 -57.7 -44.9 20.0 23.6 32.1 341 133 B L H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 6,-1.1 0.938 107.1 56.4 -62.9 -44.2 20.9 27.3 31.9 342 134 B S H 3X S+ 0 0 64 -4,-2.5 4,-0.5 1,-0.3 -1,-0.2 0.788 107.8 49.4 -58.9 -26.1 20.1 27.9 35.5 343 135 B Q T << S+ 0 0 144 -4,-1.4 2,-0.5 -3,-0.5 -1,-0.3 0.417 100.9 71.3 -92.6 0.1 22.6 25.1 36.4 344 136 B N T X4>S- 0 0 25 -3,-2.0 3,-1.9 -4,-0.3 5,-0.6 -0.826 129.4 -46.8-122.1 92.5 25.4 26.6 34.2 345 137 B Q G >45S- 0 0 106 -2,-0.5 3,-1.6 1,-0.3 -2,-0.1 0.858 106.7 -62.0 53.7 39.1 26.9 29.8 35.6 346 138 B G G 3<5S- 0 0 43 -4,-0.5 -1,-0.3 1,-0.3 -4,-0.2 0.715 90.2 -69.3 62.7 20.1 23.4 31.2 36.2 347 139 B G G < 5S+ 0 0 1 -3,-1.9 -1,-0.3 -6,-1.1 -2,-0.2 0.693 105.1 124.7 72.1 20.2 22.7 31.0 32.5 348 140 B K T < 5S+ 0 0 157 -3,-1.6 -3,-0.1 -4,-0.4 -2,-0.1 0.600 74.6 24.5 -87.1 -13.8 25.1 33.8 31.8 349 141 B T S S- 0 0 10 3,-0.3 3,-0.6 1,-0.0 -1,-0.3 -0.979 123.7 -28.4-140.3 124.1 26.8 23.7 28.3 353 145 B G T 3 S- 0 0 8 -2,-0.4 -3,-1.0 1,-0.2 -4,-0.1 -0.189 89.9 -64.6 70.1-163.0 30.1 25.0 29.7 354 146 B D T 3 S+ 0 0 101 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.179 110.8 71.3-112.0 15.1 31.6 28.4 29.0 355 147 B Q S < S- 0 0 64 -3,-0.6 -3,-0.3 -69,-0.0 -67,-0.1 -0.956 89.6-101.4-128.4 148.2 32.3 28.0 25.2 356 148 B I - 0 0 13 -2,-0.3 -68,-0.3 -6,-0.1 2,-0.3 -0.362 40.6-169.7 -67.8 147.4 29.7 27.9 22.5 357 149 B S >> - 0 0 1 -70,-0.1 3,-1.1 -4,-0.1 4,-1.0 -0.831 39.8-100.7-131.1 171.3 28.8 24.4 21.1 358 150 B F H 3> S+ 0 0 0 -72,-2.5 4,-1.9 -2,-0.3 5,-0.2 0.824 120.8 63.6 -63.9 -27.3 26.8 23.1 18.1 359 151 B A H 3> S+ 0 0 0 -73,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.804 94.9 60.6 -65.8 -27.3 23.9 22.5 20.5 360 152 B D H <> S+ 0 0 0 -3,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.930 106.2 44.7 -65.1 -45.6 23.7 26.3 21.2 361 153 B Y H X S+ 0 0 2 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.907 115.0 48.6 -66.2 -40.1 23.0 27.0 17.5 362 154 B N H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.943 115.2 44.3 -65.8 -46.5 20.4 24.2 17.3 363 155 B L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.915 111.0 54.3 -64.3 -42.6 18.7 25.4 20.5 364 156 B L H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.940 109.9 47.4 -56.9 -47.6 18.8 29.0 19.5 365 157 B D H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.931 109.9 52.6 -59.2 -46.3 17.0 28.2 16.2 366 158 B L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.908 112.5 45.6 -56.4 -43.2 14.4 26.1 18.1 367 159 B L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.921 111.1 52.5 -67.7 -43.6 13.7 29.1 20.3 368 160 B L H X S+ 0 0 34 -4,-2.8 4,-1.3 1,-0.2 3,-0.3 0.938 111.3 45.7 -59.2 -47.2 13.6 31.5 17.5 369 161 B I H X S+ 0 0 5 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.787 110.8 53.4 -70.0 -24.9 11.1 29.5 15.5 370 162 B H H X S+ 0 0 0 -4,-1.4 4,-3.4 -5,-0.3 -1,-0.2 0.792 102.2 58.4 -78.9 -24.6 8.9 28.9 18.6 371 163 B E H < S+ 0 0 71 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.874 108.8 46.4 -67.7 -35.4 8.8 32.7 19.2 372 164 B V H < S+ 0 0 59 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.905 116.2 44.7 -71.7 -41.3 7.3 33.0 15.8 373 165 B L H < S+ 0 0 5 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.896 133.7 16.1 -69.2 -43.0 4.9 30.1 16.4 374 166 B A S >< S- 0 0 11 -4,-3.4 3,-2.2 -5,-0.1 -1,-0.3 -0.684 85.0-146.0-133.8 79.2 3.9 31.3 19.9 375 167 B P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.142 85.4 19.0 -47.0 132.4 4.9 35.0 20.4 376 168 B G T > S+ 0 0 29 -5,-0.1 3,-2.0 1,-0.0 4,-0.4 0.446 79.5 130.8 85.7 0.7 5.9 35.6 24.0 377 169 B C T < S+ 0 0 24 -3,-2.2 3,-0.3 1,-0.3 -6,-0.1 0.705 74.4 52.0 -61.0 -17.3 6.5 31.9 24.8 378 170 B L T > S+ 0 0 0 -4,-0.2 3,-1.6 1,-0.2 7,-0.4 0.479 81.9 92.3 -96.3 -3.9 9.9 32.9 26.3 379 171 B D T < S+ 0 0 129 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.848 84.8 51.6 -59.4 -35.7 8.5 35.6 28.6 380 172 B A T 3 S+ 0 0 80 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.539 103.6 67.9 -78.2 -5.6 8.2 33.2 31.5 381 173 B F <> + 0 0 13 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 -0.775 57.3 178.4-122.0 88.9 11.8 32.1 31.0 382 174 B P H > S+ 0 0 86 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.858 83.1 49.5 -53.8 -44.1 14.3 34.9 31.9 383 175 B L H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.946 113.3 44.3 -66.1 -47.8 17.4 32.8 31.2 384 176 B L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.886 114.6 50.9 -63.9 -39.4 16.2 31.6 27.8 385 177 B S H X S+ 0 0 41 -4,-2.5 4,-2.4 -7,-0.4 -2,-0.2 0.954 113.7 43.2 -62.4 -51.1 15.0 35.1 26.8 386 178 B A H X S+ 0 0 50 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.873 112.8 55.0 -62.1 -37.1 18.4 36.6 27.8 387 179 B Y H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.930 107.6 48.0 -63.0 -47.8 20.2 33.8 26.1 388 180 B V H X S+ 0 0 16 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.960 114.4 46.2 -59.6 -50.9 18.4 34.3 22.8 389 181 B G H X S+ 0 0 45 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.912 114.6 48.5 -57.6 -43.9 19.1 38.0 22.9 390 182 B R H >< S+ 0 0 80 -4,-2.8 3,-0.6 2,-0.2 4,-0.4 0.945 115.2 41.2 -62.9 -52.9 22.7 37.5 23.9 391 183 B L H >< S+ 0 0 3 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.899 112.3 55.7 -64.9 -39.1 23.5 34.8 21.2 392 184 B S H 3< S+ 0 0 26 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.733 102.1 60.1 -64.8 -21.6 21.6 36.7 18.5 393 185 B A T << S+ 0 0 57 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.578 71.1 119.5 -83.6 -12.4 23.8 39.7 19.3 394 186 B R S <> S- 0 0 71 -3,-1.5 4,-3.6 -4,-0.4 5,-0.3 -0.397 74.0-122.3 -56.4 123.9 27.0 38.0 18.4 395 187 B P H > S+ 0 0 110 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.820 105.2 38.3 -34.8 -65.0 28.4 40.1 15.5 396 188 B K H > S+ 0 0 119 -165,-0.2 4,-2.1 1,-0.2 5,-0.1 0.891 120.5 47.5 -61.6 -39.6 28.7 37.6 12.7 397 189 B L H > S+ 0 0 0 -3,-0.3 4,-3.3 2,-0.2 5,-0.2 0.922 110.3 51.8 -66.5 -46.1 25.4 35.9 13.8 398 190 B K H X S+ 0 0 134 -4,-3.6 4,-1.2 1,-0.2 -2,-0.2 0.917 111.4 47.9 -56.7 -45.3 23.6 39.2 14.1 399 191 B A H X S+ 0 0 64 -4,-2.3 4,-0.9 -5,-0.3 3,-0.2 0.913 113.3 47.7 -63.3 -43.2 24.7 40.1 10.6 400 192 B F H >< S+ 0 0 15 -4,-2.1 3,-1.2 1,-0.2 6,-0.4 0.950 109.7 51.7 -63.8 -48.7 23.7 36.7 9.2 401 193 B L H 3< S+ 0 0 28 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.739 112.3 47.7 -61.1 -23.6 20.2 36.7 10.9 402 194 B A H 3< S+ 0 0 77 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.592 93.2 102.6 -92.2 -13.0 19.6 40.2 9.4 403 195 B S S XX S- 0 0 24 -3,-1.2 4,-3.0 -4,-0.9 3,-1.4 -0.320 80.9-121.1 -73.4 152.4 20.7 39.2 5.9 404 196 B P H 3> S+ 0 0 89 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.831 110.2 70.9 -58.5 -32.9 18.3 38.4 2.9 405 197 B E H 34 S+ 0 0 98 2,-0.2 -4,-0.1 1,-0.2 -5,-0.1 0.812 116.7 20.7 -51.9 -36.1 19.9 35.0 2.8 406 198 B Y H X4 S+ 0 0 22 -3,-1.4 3,-1.6 -6,-0.4 -1,-0.2 0.842 125.5 51.0 -99.7 -54.5 18.2 34.2 6.1 407 199 B V H 3< S+ 0 0 69 -4,-3.0 -2,-0.2 -7,-0.3 -4,-0.1 0.827 108.3 51.1 -56.9 -38.6 15.3 36.7 6.2 408 200 B N T 3< S+ 0 0 124 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.315 92.7 89.7 -87.4 11.4 13.9 36.0 2.8 409 201 B L S < S- 0 0 43 -3,-1.6 -191,-0.2 -5,-0.1 2,-0.1 -0.849 81.7-119.5-105.2 138.4 13.7 32.3 3.3 410 202 B P - 0 0 61 0, 0.0 -191,-2.7 0, 0.0 -190,-0.3 -0.476 15.8-129.1 -73.7 153.6 10.5 30.8 4.7 411 203 B I S S+ 0 0 7 -193,-0.2 -191,-2.7 -192,-0.2 2,-0.2 0.949 90.0 20.2 -65.9 -46.3 11.0 28.9 8.0 412 204 B N S S- 0 0 7 4,-0.3 3,-0.5 -193,-0.1 -193,-0.1 -0.676 77.2-117.9-119.0 172.7 9.1 25.9 6.7 413 205 B G S S+ 0 0 52 -2,-0.2 -1,-0.0 1,-0.2 -2,-0.0 0.638 106.1 54.4 -87.2 -14.6 8.2 24.4 3.3 414 206 B N S S- 0 0 59 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.274 111.2-109.2-103.4 11.2 4.4 24.6 3.6 415 207 B G S S+ 0 0 70 -3,-0.5 2,-0.3 1,-0.3 -2,-0.1 0.562 79.8 122.4 77.1 6.4 4.1 28.3 4.4 416 208 B K 0 0 63 1,-0.1 -4,-0.3 -101,-0.1 -1,-0.3 -0.738 360.0 360.0-102.2 153.2 3.1 27.6 8.0 417 209 B Q 0 0 101 -2,-0.3 -1,-0.1 -3,-0.1 -102,-0.1 0.304 360.0 360.0-167.4 360.0 4.9 28.9 11.0