==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JAN-99 1B48 . COMPND 2 MOLECULE: PROTEIN (GLUTATHIONE S-TRANSFERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.XIAO,P.ZIMNIAK,X.JI . 442 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 47.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.5 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 0 0 0 2 1 0 4 6 1 0 2 0 1 0 1 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 A 0 0 143 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.6 19.8 -1.5 19.8 2 3 A A + 0 0 89 1,-0.1 26,-0.1 2,-0.1 57,-0.0 -0.098 360.0 163.7 -40.6 92.5 21.1 2.1 19.5 3 4 A K - 0 0 113 -2,-0.4 2,-2.7 26,-0.1 26,-0.1 -0.653 21.1-168.5-119.4 70.9 20.5 3.3 23.0 4 5 A P + 0 0 4 0, 0.0 2,-1.8 0, 0.0 55,-0.2 -0.335 12.3 178.9 -61.4 78.1 22.5 6.5 23.6 5 6 A K E -A 58 0A 44 -2,-2.7 53,-0.8 53,-0.5 2,-0.5 -0.562 7.5-173.4 -84.7 75.7 22.0 6.5 27.4 6 7 A L E -A 57 0A 2 -2,-1.8 2,-0.4 24,-0.7 51,-0.3 -0.638 12.8-144.0 -77.0 119.5 24.0 9.6 28.2 7 8 A Y E +A 56 0A 32 49,-0.8 49,-1.8 -2,-0.5 2,-0.2 -0.687 43.2 112.2 -87.7 134.7 24.4 10.2 31.9 8 9 A Y B -c 33 0B 16 24,-0.9 26,-1.9 -2,-0.4 2,-0.1 -0.899 61.8 -49.8-171.7-166.0 24.4 13.8 33.3 9 10 A F - 0 0 5 -2,-0.2 26,-0.1 24,-0.2 6,-0.1 -0.419 48.8-108.9 -83.9 165.1 22.4 16.3 35.5 10 11 A N S S+ 0 0 96 24,-0.5 2,-0.1 -2,-0.1 -1,-0.1 0.511 98.8 71.6 -70.8 -3.1 18.7 17.2 35.2 11 12 A G S S- 0 0 2 193,-0.1 4,-0.1 200,-0.1 193,-0.1 -0.327 95.4 -97.4-103.7-172.9 19.8 20.6 33.8 12 13 A R >> + 0 0 12 193,-0.6 4,-1.8 -2,-0.1 3,-0.5 0.995 69.3 128.1 -67.7 -69.8 21.3 21.9 30.6 13 14 A G T 34 S- 0 0 21 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 -0.106 83.5 -26.3 53.2-134.3 25.0 22.1 31.5 14 15 A R T >4 S+ 0 0 78 1,-0.2 3,-0.6 2,-0.1 4,-0.4 0.743 133.8 59.4 -85.5 -28.3 27.6 20.5 29.2 15 16 A M T X> S+ 0 0 0 -3,-0.5 4,-2.5 1,-0.2 3,-1.7 0.794 81.7 84.4 -71.4 -33.4 25.3 17.9 27.7 16 17 A E H 3X S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.3 -1,-0.2 0.778 91.2 48.4 -40.5 -37.9 22.9 20.4 26.3 17 18 A S H <> S+ 0 0 4 -3,-0.6 4,-1.3 -4,-0.2 -1,-0.3 0.799 110.6 52.1 -76.4 -29.5 25.0 20.8 23.1 18 19 A I H <> S+ 0 0 0 -3,-1.7 4,-2.4 -4,-0.4 5,-0.3 0.941 107.0 52.1 -67.8 -50.2 25.3 17.1 22.8 19 20 A R H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.3 -2,-0.2 0.937 108.0 51.9 -53.0 -49.0 21.5 16.7 23.0 20 21 A W H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 5,-0.3 0.874 108.5 52.2 -56.1 -38.1 21.0 19.2 20.2 21 22 A L H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.3 -1,-0.2 0.928 111.7 43.6 -66.1 -46.1 23.5 17.3 18.1 22 23 A L H X>S+ 0 0 2 -4,-2.4 5,-2.4 2,-0.2 4,-1.2 0.892 112.6 57.8 -65.3 -38.0 21.7 14.0 18.5 23 24 A A H ><5S+ 0 0 9 -4,-2.9 3,-2.6 -5,-0.3 4,-0.4 0.978 109.1 38.6 -54.3 -76.5 18.4 15.8 17.9 24 25 A A H 3<5S+ 0 0 5 -4,-1.9 168,-0.2 1,-0.3 -1,-0.2 0.822 109.3 64.9 -44.3 -40.6 19.0 17.4 14.5 25 26 A A H 3<5S- 0 0 34 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.818 115.1-116.1 -54.5 -33.3 20.8 14.2 13.5 26 27 A G T <<5 + 0 0 50 -3,-2.6 2,-0.5 -4,-1.2 -3,-0.2 0.747 68.1 139.3 97.3 33.9 17.5 12.4 13.8 27 28 A V < - 0 0 28 -5,-2.4 -1,-0.2 -4,-0.4 -2,-0.1 -0.945 41.1-150.1-118.8 117.2 18.6 10.1 16.6 28 29 A E + 0 0 143 -2,-0.5 2,-0.3 -26,-0.1 -5,-0.0 -0.390 24.3 176.0 -76.2 158.3 16.4 9.3 19.6 29 30 A F - 0 0 5 -26,-0.1 -24,-0.1 -2,-0.1 -26,-0.1 -0.990 27.4-134.4-163.9 155.0 18.0 8.6 23.0 30 31 A E - 0 0 85 -2,-0.3 -24,-0.7 2,-0.0 -27,-0.0 -0.146 19.3-161.6 -95.1-165.3 17.4 7.8 26.6 31 32 A E - 0 0 23 -26,-0.2 2,-0.2 -2,-0.1 -24,-0.1 -0.183 10.3-148.9 176.1 86.7 19.3 9.5 29.5 32 33 A E - 0 0 97 1,-0.1 -24,-0.9 -25,-0.1 2,-0.1 -0.429 32.7-126.1 -66.0 129.7 19.7 8.3 33.1 33 34 A F B -c 8 0B 55 -2,-0.2 2,-0.8 -26,-0.2 -24,-0.2 -0.263 3.3-119.9 -82.8 162.8 20.0 11.3 35.4 34 35 A L + 0 0 12 -26,-1.9 -24,-0.5 1,-0.2 184,-0.1 -0.849 49.5 140.3-101.0 101.1 22.5 12.5 38.1 35 36 A E + 0 0 143 -2,-0.8 183,-0.2 1,-0.3 2,-0.2 0.814 56.9 34.4-104.1 -76.1 20.8 12.8 41.5 36 37 A T >> - 0 0 63 1,-0.1 3,-1.6 181,-0.0 4,-1.1 -0.497 68.7-129.1 -86.2 151.7 22.8 11.6 44.5 37 38 A R H 3> S+ 0 0 86 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.766 108.2 72.9 -66.6 -23.5 26.6 11.9 44.8 38 39 A E H 3> S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.727 96.2 51.0 -61.7 -22.0 26.4 8.2 45.7 39 40 A Q H <> S+ 0 0 52 -3,-1.6 4,-2.8 2,-0.2 5,-0.3 0.941 109.4 48.4 -77.0 -53.4 25.7 7.7 42.0 40 41 A Y H X S+ 0 0 19 -4,-1.1 4,-2.9 2,-0.2 5,-0.3 0.944 116.6 42.9 -49.6 -56.9 28.8 9.8 41.0 41 42 A E H X S+ 0 0 59 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.972 116.6 45.6 -55.8 -60.0 31.0 7.9 43.3 42 43 A K H < S+ 0 0 132 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.782 117.6 44.6 -55.8 -33.5 29.7 4.4 42.5 43 44 A M H ><>S+ 0 0 15 -4,-2.8 5,-1.3 2,-0.2 3,-0.8 0.892 113.0 48.5 -78.0 -45.0 29.7 5.1 38.7 44 45 A Q H ><5S+ 0 0 74 -4,-2.9 3,-1.0 -5,-0.3 -2,-0.2 0.772 107.1 61.0 -64.1 -26.2 33.2 6.6 38.8 45 46 A K T 3<5S+ 0 0 137 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.737 97.3 56.6 -72.5 -26.5 34.1 3.6 40.8 46 47 A D T < 5S- 0 0 103 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.407 116.6-115.7 -85.1 2.1 33.2 1.3 37.9 47 48 A G T < 5S+ 0 0 57 -3,-1.0 -3,-0.2 -4,-0.1 -2,-0.1 0.903 75.3 134.6 66.1 38.4 35.6 3.2 35.7 48 49 A H < + 0 0 43 -5,-1.3 2,-0.5 1,-0.1 -4,-0.2 0.857 63.7 62.9 -80.7 -37.5 32.9 4.5 33.4 49 50 A L S S- 0 0 9 -6,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.763 72.9-154.0 -94.1 122.5 34.5 7.9 33.6 50 51 A L S S+ 0 0 56 -2,-0.5 -1,-0.2 1,-0.2 266,-0.0 0.983 96.1 9.6 -54.5 -77.4 38.1 8.3 32.3 51 52 A F S S- 0 0 3 2,-0.2 -1,-0.2 14,-0.1 302,-0.0 0.159 117.6 -99.3 -92.5 18.2 39.4 11.2 34.3 52 53 A G S S+ 0 0 10 1,-0.2 2,-0.4 -8,-0.1 -8,-0.1 0.881 84.3 121.7 68.1 43.4 36.4 11.0 36.5 53 54 A Q - 0 0 44 2,-0.1 -2,-0.2 12,-0.1 -3,-0.2 -0.935 51.8-108.9-147.2 120.2 34.4 13.8 34.9 54 55 A V S S+ 0 0 24 -2,-0.4 2,-0.1 -5,-0.1 -46,-0.1 -0.408 75.8 95.2 -73.7 158.9 30.9 14.0 33.2 55 56 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -47,-0.2 0.102 60.0-178.0 -49.6 133.1 29.5 14.3 30.5 56 57 A L E +A 7 0A 0 -49,-1.8 -49,-0.8 -2,-0.1 9,-0.2 -0.950 6.4 173.3-116.6 132.2 29.3 10.5 30.3 57 58 A V E -AB 6 64A 2 7,-1.9 7,-1.1 -2,-0.4 2,-0.3 -0.620 16.4-159.1-147.0 87.3 27.7 9.2 27.1 58 59 A E E +AB 5 63A 45 -53,-0.8 -53,-0.5 5,-0.2 2,-0.3 -0.487 31.5 147.8 -69.9 125.0 27.7 5.5 26.4 59 60 A I E > + B 0 62A 10 3,-0.6 3,-2.2 -2,-0.3 5,-0.1 -0.987 53.4 16.5-157.6 149.5 27.2 4.8 22.7 60 61 A D T 3 S- 0 0 88 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.838 130.0 -60.0 52.5 37.3 28.2 2.2 20.0 61 62 A G T 3 S+ 0 0 91 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.1 0.269 121.6 106.2 77.2 -11.3 29.2 -0.2 22.8 62 63 A M E < -B 59 0A 35 -3,-2.2 -3,-0.6 -5,-0.1 -1,-0.3 -0.167 66.3-137.4 -90.3-179.4 31.6 2.5 24.0 63 64 A M E -B 58 0A 66 -5,-0.2 -5,-0.2 -3,-0.1 -3,-0.1 -0.636 23.9-170.0-145.5 83.5 31.7 4.9 26.9 64 65 A L E +B 57 0A 2 -7,-1.1 -7,-1.9 -2,-0.2 3,-0.1 -0.261 13.2 173.1 -73.4 157.6 32.9 8.4 25.9 65 66 A T + 0 0 2 -9,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.422 47.6 85.6-148.9 2.9 33.6 11.2 28.5 66 67 A Q >> - 0 0 3 1,-0.2 4,-1.9 2,-0.0 3,-1.2 -0.820 60.3-149.0-120.4 97.7 35.2 14.3 26.9 67 68 A T H 3> S+ 0 0 10 -2,-0.6 4,-2.5 1,-0.3 5,-0.3 0.713 92.9 44.4 -15.0 -87.4 32.7 16.9 25.6 68 69 A R H 3> S+ 0 0 28 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.852 118.7 49.6 -37.8 -42.6 34.5 18.6 22.6 69 70 A A H <> S+ 0 0 3 -3,-1.2 4,-2.9 2,-0.2 -1,-0.3 0.981 107.9 51.6 -62.0 -57.3 35.5 15.1 21.7 70 71 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.870 111.4 47.5 -48.5 -45.1 32.0 13.7 21.9 71 72 A L H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.953 111.9 50.8 -62.9 -46.2 30.7 16.4 19.7 72 73 A S H X S+ 0 0 9 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.889 111.8 47.3 -58.2 -42.7 33.5 15.8 17.2 73 74 A Y H X S+ 0 0 14 -4,-2.9 4,-2.6 2,-0.2 3,-0.5 0.991 116.2 42.1 -62.3 -63.5 32.8 12.1 17.1 74 75 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.940 112.3 53.0 -47.7 -63.0 29.0 12.4 16.6 75 76 A A H <>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.3 -1,-0.2 0.811 113.3 45.7 -44.5 -39.0 29.2 15.3 14.1 76 77 A A H ><5S+ 0 0 35 -4,-1.5 3,-1.3 -3,-0.5 -1,-0.3 0.926 112.8 49.4 -71.8 -47.4 31.6 13.2 12.0 77 78 A K H 3<5S+ 0 0 69 -4,-2.6 2,-0.8 1,-0.3 -2,-0.2 0.980 111.2 47.5 -54.6 -62.4 29.5 10.0 12.3 78 79 A Y T 3<5S- 0 0 62 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.1 0.040 118.2-109.4 -74.9 31.3 26.2 11.5 11.3 79 80 A N T < 5S+ 0 0 113 -3,-1.3 -3,-0.2 -2,-0.8 -2,-0.1 0.903 80.7 124.9 37.6 72.5 27.8 13.3 8.4 80 81 A L < + 0 0 12 -5,-2.3 74,-2.2 -6,-0.1 75,-0.2 -0.191 44.3 90.2-147.0 40.1 27.7 16.9 9.7 81 82 A Y S S- 0 0 23 1,-0.5 7,-0.3 -5,-0.2 6,-0.1 -0.548 93.2 -93.8-140.3 64.9 31.3 17.9 9.4 82 83 A G - 0 0 22 5,-0.2 -1,-0.5 1,-0.2 3,-0.1 0.158 44.7 -82.6 52.7-170.7 31.9 19.4 6.0 83 84 A K S S+ 0 0 168 -3,-0.1 2,-0.2 1,-0.0 -1,-0.2 0.612 105.8 4.4-103.2 -20.8 33.1 17.6 2.8 84 85 A D S > S- 0 0 71 0, 0.0 4,-2.0 0, 0.0 5,-0.1 -0.780 93.8 -78.9-145.7-170.3 36.8 17.7 3.6 85 86 A L H > S+ 0 0 62 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.717 122.2 60.2 -74.9 -19.8 39.1 18.8 6.4 86 87 A K H > S+ 0 0 81 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.892 109.5 41.5 -74.1 -40.6 38.9 22.5 5.4 87 88 A E H > S+ 0 0 21 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.955 111.7 58.1 -69.9 -42.4 35.2 22.6 5.9 88 89 A R H X S+ 0 0 15 -4,-2.0 4,-1.7 -7,-0.3 -2,-0.2 0.902 111.4 41.0 -51.1 -47.9 35.7 20.5 9.1 89 90 A V H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.899 110.6 55.3 -70.2 -41.7 38.0 23.2 10.5 90 91 A R H X S+ 0 0 58 -4,-2.2 4,-2.0 1,-0.3 3,-0.4 0.954 112.3 45.2 -54.2 -48.5 36.0 26.2 9.3 91 92 A I H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -1,-0.3 0.851 108.7 58.2 -60.1 -41.6 33.1 24.6 11.2 92 93 A D H X S+ 0 0 6 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.2 0.817 104.8 49.3 -62.3 -34.3 35.4 23.9 14.2 93 94 A M H >X S+ 0 0 18 -4,-2.1 4,-1.5 -3,-0.4 3,-1.0 0.975 113.6 45.8 -69.6 -50.6 36.2 27.6 14.5 94 95 A Y H 3X S+ 0 0 16 -4,-2.0 4,-2.1 1,-0.3 3,-0.5 0.922 110.6 52.8 -55.5 -49.9 32.6 28.6 14.5 95 96 A A H 3X S+ 0 0 2 -4,-3.1 4,-1.6 1,-0.2 -1,-0.3 0.737 106.2 57.8 -59.3 -23.5 31.6 25.9 16.9 96 97 A D H X S+ 0 0 56 -4,-1.4 4,-1.2 2,-0.2 3,-0.7 0.973 112.2 43.8 -69.9 -51.4 32.7 30.1 24.2 101 102 A L H >X S+ 0 0 7 -4,-3.1 4,-1.3 1,-0.3 3,-0.8 0.960 112.2 51.0 -56.9 -56.2 29.6 32.2 24.4 102 103 A M H 3X S+ 0 0 10 -4,-2.9 4,-2.3 1,-0.2 -1,-0.3 0.726 105.0 64.3 -56.7 -20.4 27.4 29.5 25.7 103 104 A M H < S+ 0 0 10 -4,-1.3 3,-0.7 1,-0.2 -2,-0.2 0.986 107.5 49.9 -67.0 -57.4 26.2 31.8 30.3 106 107 A A H 3< S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.667 117.1 42.0 -55.7 -21.9 26.1 28.2 31.5 107 108 A V H >X S+ 0 0 61 -4,-1.1 3,-2.1 1,-0.1 4,-0.5 0.699 90.2 91.2 -98.5 -24.2 28.5 29.1 34.4 108 109 A A G X< S+ 0 0 1 -4,-1.5 3,-1.2 -3,-0.7 4,-0.2 0.799 75.7 61.5 -40.7 -50.3 26.8 32.4 35.3 109 110 A P G 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.755 98.4 61.6 -54.6 -22.9 24.3 31.1 37.9 110 111 A F G <4 S+ 0 0 77 -3,-2.1 -2,-0.2 2,-0.1 -3,-0.0 0.812 95.0 62.6 -74.2 -33.6 27.3 29.9 40.1 111 112 A K S << S- 0 0 116 -3,-1.2 -3,-0.1 -4,-0.5 3,-0.1 0.879 101.1 -83.2 -58.4-112.2 28.9 33.3 40.7 112 113 A T >> - 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0 0 31 -4,-1.4 3,-1.8 1,-0.1 4,-0.3 -0.745 62.7-176.7-135.6 84.4 17.2 39.9 25.6 171 172 A A T 3 S+ 0 0 79 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.854 83.6 52.2 -50.1 -41.1 14.3 38.9 23.4 172 173 A P T > S+ 0 0 89 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.569 81.0 99.8 -75.4 -8.8 14.7 41.9 21.1 173 174 A V G X S+ 0 0 8 -3,-1.8 3,-0.9 1,-0.3 4,-0.3 0.844 72.7 56.6 -46.7 -51.9 18.4 41.2 20.4 174 175 A L G > S+ 0 0 6 -3,-0.4 3,-0.8 -4,-0.3 -1,-0.3 0.522 84.3 92.3 -64.7 -1.6 18.2 39.5 17.0 175 176 A S G < S+ 0 0 65 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.939 81.4 49.8 -56.8 -53.3 16.4 42.6 15.7 176 177 A D G < S+ 0 0 116 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.639 104.1 74.4 -62.0 -13.7 19.4 44.5 14.4 177 178 A F <> + 0 0 17 -3,-0.8 4,-1.2 -4,-0.3 -1,-0.2 -0.810 54.4 172.3-112.0 95.4 20.4 41.3 12.6 178 179 A P H >> S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 3,-1.2 0.978 80.3 47.0 -60.0 -66.1 18.3 40.4 9.5 179 180 A L H 3> S+ 0 0 58 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.763 111.8 55.0 -51.5 -28.5 20.2 37.4 8.1 180 181 A L H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.815 106.4 48.2 -76.6 -33.1 20.2 35.9 11.6 181 182 A Q H < S+ 0 0 3 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.3 0.886 109.8 48.9 -74.6 -38.6 16.8 26.3 10.9 188 189 A S H 3< S+ 0 0 20 -4,-2.2 -2,-0.2 -3,-0.5 6,-0.2 0.839 104.9 65.0 -66.8 -27.0 14.0 26.0 13.4 189 190 A N T 3< S+ 0 0 93 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.234 72.7 120.0 -78.5 10.2 12.0 24.8 10.4 190 191 A I S <> S- 0 0 30 -3,-1.5 4,-3.3 -5,-0.2 5,-0.4 -0.693 71.9-127.1 -78.7 128.5 14.2 21.7 10.1 191 192 A P H > S+ 0 0 108 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.882 109.3 38.7 -39.3 -53.4 12.0 18.6 10.5 192 193 A T H > S+ 0 0 51 -168,-0.2 4,-1.0 2,-0.2 -166,-0.1 0.808 117.5 50.7 -72.8 -31.1 14.1 17.1 13.2 193 194 A I H >> S+ 0 0 2 -3,-0.3 4,-2.7 2,-0.2 3,-0.7 0.954 106.3 52.5 -70.7 -51.9 14.8 20.5 14.9 194 195 A K H 3X S+ 0 0 103 -4,-3.3 4,-0.9 1,-0.3 -2,-0.2 0.875 110.6 50.4 -50.7 -42.1 11.1 21.5 15.1 195 196 A K H 3< S+ 0 0 132 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.792 110.3 48.7 -68.8 -31.4 10.4 18.2 16.8 196 197 A F H << S+ 0 0 15 -4,-1.0 7,-0.4 -3,-0.7 -2,-0.2 0.827 111.1 50.8 -77.3 -30.2 13.3 18.9 19.2 197 198 A L H < S+ 0 0 48 -4,-2.7 -2,-0.2 -9,-0.2 -1,-0.2 0.623 86.9 115.7 -80.8 -11.1 11.9 22.4 19.9 198 199 A Q S >< S- 0 0 93 -4,-0.9 3,-1.2 -5,-0.2 5,-0.2 -0.086 83.2-109.4 -55.2 153.5 8.4 21.0 20.5 199 200 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.561 116.7 55.2 -64.5 -6.8 7.0 21.4 24.1 200 201 A G T 3 S+ 0 0 68 -5,-0.2 -4,-0.1 2,-0.0 -3,-0.1 0.626 83.4 113.6-102.1 -12.8 7.4 17.7 24.6 201 202 A S S < S- 0 0 33 -3,-1.2 -5,-0.1 -6,-0.2 -4,-0.0 0.021 76.9-113.1 -60.7 163.2 11.1 17.2 23.8 202 203 A Q S S+ 0 0 66 -183,-0.1 -1,-0.1 2,-0.0 -6,-0.1 0.562 72.9 130.6 -71.9 -11.9 14.0 16.2 26.1 203 204 A R - 0 0 58 -7,-0.4 -191,-0.1 -5,-0.2 -187,-0.0 -0.181 57.3-127.0 -46.5 127.9 15.5 19.6 25.7 204 205 A K - 0 0 14 -193,-0.1 -193,-0.1 1,-0.1 -1,-0.1 -0.399 13.1-109.8 -85.4 159.1 16.3 20.9 29.1 205 206 A P - 0 0 70 0, 0.0 -193,-0.6 0, 0.0 -1,-0.1 -0.534 45.2 -89.1 -83.5 150.6 15.3 24.2 30.8 206 207 A P - 0 0 51 0, 0.0 -100,-0.0 0, 0.0 -41,-0.0 -0.101 67.3 -66.0 -53.4 159.7 17.9 26.9 31.5 207 208 A P + 0 0 41 0, 0.0 2,-0.3 0, 0.0 -101,-0.0 0.102 63.4 178.2 -43.5 159.3 19.7 26.7 34.9 208 209 A D > - 0 0 64 1,-0.1 4,-2.6 -3,-0.1 5,-0.3 -0.928 41.2 -74.6-156.5-179.7 17.8 27.2 38.2 209 210 A G H > S+ 0 0 41 -2,-0.3 4,-1.6 1,-0.2 3,-0.3 0.933 126.7 33.7 -49.2 -64.4 17.7 27.2 42.0 210 211 A P H > S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.854 117.6 57.3 -65.7 -29.5 17.9 23.5 42.7 211 212 A Y H > S+ 0 0 20 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.846 107.5 46.6 -68.7 -33.2 20.1 23.0 39.6 212 213 A V H X S+ 0 0 39 -4,-2.6 4,-0.7 -3,-0.3 -1,-0.2 0.830 116.8 45.2 -76.7 -29.7 22.7 25.5 40.8 213 214 A E H < S+ 0 0 116 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.732 102.5 64.4 -87.1 -21.7 22.6 23.8 44.3 214 215 A V H >X S+ 0 0 55 -4,-2.1 4,-2.9 2,-0.2 3,-2.1 0.959 101.7 47.3 -66.2 -52.8 22.8 20.2 43.2 215 216 A V H 3X S+ 0 0 5 -4,-0.9 4,-1.5 1,-0.3 6,-0.7 0.911 105.6 60.0 -55.0 -42.3 26.2 20.3 41.6 216 217 A R H 3< S+ 0 0 149 -4,-0.7 -1,-0.3 4,-0.2 -2,-0.2 0.582 119.6 31.3 -63.5 -8.3 27.5 22.1 44.7 217 218 A I H X4 S+ 0 0 94 -3,-2.1 3,-1.7 3,-0.2 -2,-0.2 0.738 123.2 39.7-110.8 -68.8 26.4 18.9 46.5 218 219 A V H 3< S+ 0 0 3 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.1 0.934 133.2 29.6 -49.7 -51.2 26.7 15.9 44.1 219 220 A L T 3< S- 0 0 40 -4,-1.5 -1,-0.3 -5,-0.3 -3,-0.1 0.212 110.2-130.0 -93.0 13.8 30.0 17.3 42.8 220 221 A K < 0 0 83 -3,-1.7 -4,-0.2 -6,-0.3 -3,-0.2 0.808 360.0 360.0 36.2 54.8 30.6 18.9 46.2 221 222 A F 0 0 157 -6,-0.7 -1,-0.1 -8,-0.1 -5,-0.0 -0.057 360.0 360.0 -73.4 360.0 31.4 22.4 44.8 222 !* 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 0.0 223 2 B A 0 0 162 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.1 54.1 25.6 -0.9 224 3 B A - 0 0 57 58,-0.0 57,-0.1 2,-0.0 56,-0.0 -0.798 360.0-149.8-107.3 146.5 53.1 27.2 2.4 225 4 B K - 0 0 129 -2,-0.3 2,-0.1 26,-0.1 26,-0.1 -0.774 27.0-134.1-114.9 85.5 55.3 28.8 5.1 226 5 B P - 0 0 9 0, 0.0 26,-0.7 0, 0.0 2,-0.4 -0.116 27.7-176.0 -42.5 100.4 53.4 28.3 8.4 227 6 B K E -dE 252 280C 63 53,-1.9 53,-1.7 24,-0.2 2,-0.5 -0.882 4.9-163.2-105.6 133.1 53.5 31.6 10.2 228 7 B L E - E 0 279C 2 24,-0.9 2,-0.3 -2,-0.4 51,-0.2 -0.954 5.5-157.9-126.7 125.2 52.1 31.9 13.7 229 8 B Y E + E 0 278C 34 49,-1.5 49,-1.3 -2,-0.5 2,-0.3 -0.693 39.9 105.6 -95.7 142.0 51.1 35.0 15.7 230 9 B Y - 0 0 27 -2,-0.3 26,-0.7 47,-0.2 -2,-0.0 -0.895 68.0 -57.7 167.2 173.4 50.8 35.0 19.5 231 10 B F - 0 0 13 -2,-0.3 2,-1.3 24,-0.2 26,-0.1 -0.028 58.1 -95.5 -65.5 174.7 52.7 36.2 22.6 232 11 B N S S+ 0 0 87 24,-0.4 2,-0.3 201,-0.1 -1,-0.1 -0.716 95.1 50.7 -95.4 81.4 56.3 35.3 23.4 233 12 B G S S- 0 0 5 -2,-1.3 4,-0.2 1,-0.3 193,-0.1 -0.984 98.8 -59.9 175.5-172.9 55.5 32.4 25.8 234 13 B R S >> S+ 0 0 14 193,-0.5 4,-1.4 -2,-0.3 3,-0.9 0.966 77.1 117.7 -55.1 -91.3 53.6 29.1 26.4 235 14 B G H >> S- 0 0 22 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.167 90.2 -37.7 52.4-166.0 49.9 30.0 26.1 236 15 B R H 34 S+ 0 0 65 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.384 135.0 62.0 -72.5 6.4 47.5 28.7 23.6 237 16 B M H <> S+ 0 0 0 -3,-0.9 4,-1.7 -4,-0.2 3,-0.5 0.706 84.9 75.4-103.0 -21.4 50.2 28.7 21.0 238 17 B E H XX S+ 0 0 3 -4,-1.4 4,-2.1 -3,-1.2 3,-0.7 0.930 92.9 48.4 -54.5 -61.8 52.6 26.3 22.6 239 18 B S H 3X S+ 0 0 13 -4,-0.5 4,-1.7 1,-0.3 -1,-0.2 0.749 110.8 55.7 -53.4 -25.5 50.8 23.0 21.9 240 19 B I H 3> S+ 0 0 1 -3,-0.5 4,-1.6 2,-0.2 -1,-0.3 0.880 105.4 50.4 -75.0 -39.2 50.5 24.2 18.3 241 20 B R H XX S+ 0 0 2 -4,-1.7 4,-2.5 -3,-0.7 3,-0.6 0.986 109.9 50.7 -60.8 -58.5 54.3 24.7 18.1 242 21 B W H 3X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.3 5,-0.4 0.926 108.5 49.8 -42.5 -65.3 54.9 21.2 19.4 243 22 B L H 3X S+ 0 0 1 -4,-1.7 4,-1.2 1,-0.3 -1,-0.3 0.811 111.8 49.7 -47.1 -38.7 52.6 19.4 16.9 244 23 B L H <<>S+ 0 0 0 -4,-1.6 5,-1.5 -3,-0.6 -1,-0.3 0.942 110.7 49.3 -67.0 -47.1 54.2 21.3 14.0 245 24 B A H ><5S+ 0 0 15 -4,-2.5 3,-2.9 -3,-0.4 4,-0.4 0.966 111.8 47.2 -54.6 -58.5 57.7 20.4 15.1 246 25 B A H 3<5S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.3 168,-0.2 0.779 102.6 65.4 -55.6 -27.9 56.9 16.7 15.5 247 26 B A T 3<5S- 0 0 28 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.501 117.9-117.2 -73.4 -1.9 55.2 17.0 12.1 248 27 B G T < 5 + 0 0 45 -3,-2.9 2,-0.4 1,-0.2 -3,-0.2 0.947 67.0 145.5 64.5 45.5 58.7 17.6 10.8 249 28 B V < - 0 0 32 -5,-1.5 2,-0.5 -4,-0.4 -1,-0.2 -0.969 46.5-140.8-123.8 134.4 57.7 21.1 9.7 250 29 B E - 0 0 164 -2,-0.4 2,-0.4 -3,-0.1 -5,-0.0 -0.788 28.1-178.9 -88.9 126.9 59.7 24.3 9.6 251 30 B F - 0 0 8 -2,-0.5 2,-0.2 -26,-0.1 -24,-0.2 -0.989 16.2-155.1-133.4 140.3 57.7 27.3 10.6 252 31 B E B -d 227 0C 86 -26,-0.7 -24,-0.9 -2,-0.4 2,-0.3 -0.479 19.3-157.6 -98.2 175.1 58.5 31.0 10.9 253 32 B E - 0 0 36 -26,-0.3 -24,-0.1 -2,-0.2 -26,-0.1 -0.951 20.3-149.1-165.7 143.5 56.6 33.4 13.0 254 33 B E - 0 0 98 -2,-0.3 2,-0.3 -26,-0.1 -26,-0.1 0.151 32.0-140.3 -80.9-154.5 55.7 37.0 13.7 255 34 B F - 0 0 56 -26,-0.1 2,-0.4 -23,-0.0 -24,-0.2 -0.970 6.8-125.2-164.2 173.0 55.0 38.2 17.3 256 35 B L + 0 0 11 -26,-0.7 -24,-0.4 -2,-0.3 184,-0.1 -0.981 40.7 136.2-137.1 121.7 52.9 40.3 19.6 257 36 B E + 0 0 111 -2,-0.4 2,-0.3 1,-0.2 183,-0.1 0.635 55.2 61.3-126.9 -52.9 54.2 43.0 21.9 258 37 B T >> - 0 0 54 1,-0.1 4,-1.3 182,-0.1 3,-1.1 -0.655 69.5-131.3 -95.1 145.4 52.1 46.2 21.9 259 38 B R H 3> S+ 0 0 88 -2,-0.3 4,-1.3 1,-0.3 -1,-0.1 0.721 114.4 53.3 -55.4 -24.8 48.4 46.7 22.7 260 39 B E H 3> S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.760 96.3 64.6 -82.8 -30.4 48.3 48.6 19.4 261 40 B Q H <> S+ 0 0 50 -3,-1.1 4,-1.4 2,-0.2 5,-0.3 0.898 103.1 50.0 -57.8 -42.9 49.8 45.7 17.5 262 41 B Y H X S+ 0 0 44 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.994 108.0 53.0 -55.4 -63.1 46.6 43.7 18.4 263 42 B E H X S+ 0 0 48 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.741 105.7 54.4 -44.7 -38.7 44.4 46.6 17.2 264 43 B K H X S+ 0 0 100 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.998 115.2 34.4 -63.3 -70.2 46.0 46.7 13.8 265 44 B M H X S+ 0 0 25 -4,-1.4 4,-0.6 2,-0.2 6,-0.5 0.719 117.0 61.0 -56.7 -23.6 45.6 43.1 12.7 266 45 B Q H >X S+ 0 0 53 -4,-2.3 3,-2.3 -5,-0.3 4,-0.6 0.997 111.1 35.0 -63.5 -69.0 42.3 43.2 14.7 267 46 B K H 3< S+ 0 0 162 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.526 104.4 77.6 -63.2 -8.3 40.8 45.9 12.5 268 47 B D H 3< S- 0 0 109 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.793 111.4-115.1 -72.0 -26.3 42.7 44.3 9.6 269 48 B G H << S+ 0 0 60 -3,-2.3 -2,-0.1 -4,-0.6 -3,-0.1 0.930 81.9 105.3 88.9 70.7 40.0 41.6 9.6 270 49 B H < + 0 0 67 -4,-0.6 2,-1.2 -5,-0.4 -4,-0.1 0.463 53.0 78.3-136.9 -58.7 41.6 38.3 10.5 271 50 B L > - 0 0 8 -6,-0.5 3,-2.0 1,-0.2 -1,-0.2 -0.493 67.0-158.9 -65.1 94.1 40.7 37.3 14.1 272 51 B L T 3 S+ 0 0 55 -2,-1.2 -1,-0.2 1,-0.3 -138,-0.0 0.898 93.2 21.5 -41.7 -58.1 37.2 36.0 13.4 273 52 B F T 3 S- 0 0 2 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.166 122.5-101.9 -99.8 18.0 36.0 36.4 16.9 274 53 B G S < S+ 0 0 2 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.831 84.5 110.8 67.9 38.5 38.8 38.9 17.6 275 54 B Q - 0 0 49 2,-0.1 -2,-0.2 -9,-0.1 -1,-0.2 -0.997 51.7 -94.4-149.7 148.2 41.2 36.5 19.4 276 55 B V S S+ 0 0 40 -2,-0.3 2,-0.2 -5,-0.1 -40,-0.1 -0.645 71.9 77.6-103.1 168.0 44.5 34.7 19.1 277 56 B P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -47,-0.2 0.298 61.4 180.0 -53.0 164.3 46.3 32.3 18.5 278 57 B L E -E 229 0C 7 -49,-1.3 -49,-1.5 -2,-0.2 2,-0.4 -0.983 14.0-164.6-144.6 142.7 46.3 32.8 14.7 279 58 B V E -EF 228 286C 0 7,-1.6 7,-1.3 -2,-0.3 2,-0.7 -0.823 11.5-151.6-140.0 99.8 48.1 30.7 12.1 280 59 B E E +EF 227 285C 80 -53,-1.7 -53,-1.9 -2,-0.4 2,-0.3 -0.559 45.0 140.4 -68.7 107.4 48.6 31.9 8.5 281 60 B I E > + F 0 284C 4 3,-2.3 3,-1.5 -2,-0.7 5,-0.1 -0.974 57.1 6.3-156.2 142.1 48.7 28.5 6.6 282 61 B D T 3 S- 0 0 66 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 0.649 125.4 -67.0 60.9 15.7 47.4 27.0 3.3 283 62 B G T 3 S+ 0 0 64 1,-0.4 -1,-0.3 0, 0.0 2,-0.1 0.062 116.9 111.0 92.6 -23.2 46.3 30.6 2.5 284 63 B M E < -F 281 0C 61 -3,-1.5 -3,-2.3 -4,-0.0 2,-0.4 -0.301 64.3-138.9 -80.4 162.2 43.8 30.3 5.4 285 64 B M E -F 280 0C 81 -5,-0.2 -5,-0.2 -3,-0.1 2,-0.1 -0.811 18.6-160.9-126.7 88.5 43.9 32.2 8.7 286 65 B L E +F 279 0C 1 -7,-1.3 -7,-1.6 -2,-0.4 3,-0.1 -0.455 14.3 174.6 -68.4 141.2 42.9 29.9 11.5 287 66 B T + 0 0 2 -9,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.581 49.5 75.0-126.3 -15.2 41.8 31.7 14.6 288 67 B Q S >> S- 0 0 6 1,-0.2 4,-2.1 -12,-0.0 3,-0.7 -0.901 70.5-134.0-114.6 118.5 40.5 29.2 17.2 289 68 B T H >> S+ 0 0 13 -2,-0.6 4,-2.2 1,-0.3 3,-0.8 0.750 101.1 30.6 -22.1 -83.4 42.9 26.9 19.2 290 69 B R H 3> S+ 0 0 67 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.787 115.8 61.8 -59.9 -26.0 41.3 23.4 19.1 291 70 B A H <> S+ 0 0 0 -3,-0.7 4,-1.4 2,-0.2 -1,-0.3 0.932 109.7 42.9 -63.9 -39.6 39.9 24.3 15.7 292 71 B I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 3,-0.6 0.977 111.9 48.9 -53.5 -76.2 46.8 20.1 11.8 297 76 B A H 3<>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.3 6,-0.5 0.780 115.0 47.0 -34.8 -46.7 46.8 16.7 13.5 298 77 B A H ><5S+ 0 0 14 -4,-1.9 3,-0.9 -5,-0.3 -1,-0.3 0.947 109.6 51.9 -65.6 -49.5 44.5 15.3 10.8 299 78 B K H <<5S+ 0 0 80 -4,-2.4 2,-0.9 -3,-0.6 -2,-0.2 0.919 113.3 46.4 -52.1 -47.6 46.4 16.8 7.9 300 79 B Y T 3<5S- 0 0 59 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.475 115.1-113.7 -97.3 57.4 49.6 15.2 9.2 301 80 B N T < 5S+ 0 0 115 -2,-0.9 3,-0.2 -3,-0.9 -3,-0.2 0.468 85.6 116.0 18.9 33.5 48.0 11.8 9.9 302 81 B L < + 0 0 27 -5,-2.8 74,-2.7 -6,-0.2 75,-0.3 0.077 53.3 84.1-107.7 24.2 48.3 12.0 13.7 303 82 B Y S S- 0 0 2 1,-0.6 -1,-0.2 -6,-0.5 7,-0.2 -0.306 101.7-108.2-117.0 43.3 44.6 11.9 14.2 304 83 B G - 0 0 16 -3,-0.2 -1,-0.6 70,-0.2 3,-0.1 -0.131 28.2-105.8 60.6-162.8 44.2 8.2 14.0 305 84 B K S S+ 0 0 101 1,-0.4 2,-0.2 -3,-0.1 -1,-0.1 0.616 90.9 40.4-123.7 -65.0 42.5 6.6 11.0 306 85 B D S >> S- 0 0 74 1,-0.1 4,-2.0 4,-0.0 3,-1.4 -0.608 85.4-109.6 -93.2 155.4 39.0 5.5 11.8 307 86 B L H 3> S+ 0 0 69 1,-0.3 4,-1.4 -2,-0.2 5,-0.2 0.790 113.5 66.6 -51.3 -34.2 36.4 7.3 14.0 308 87 B K H 34 S+ 0 0 94 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.863 111.4 31.8 -58.0 -40.2 36.8 4.7 16.7 309 88 B E H X> S+ 0 0 41 -3,-1.4 4,-2.0 2,-0.2 3,-1.2 0.847 108.0 65.6 -85.7 -43.0 40.4 5.7 17.4 310 89 B R H 3X S+ 0 0 59 -4,-2.0 4,-2.2 1,-0.3 -2,-0.2 0.818 101.7 54.3 -50.2 -32.4 40.2 9.5 16.6 311 90 B V H 3X S+ 0 0 4 -4,-1.4 4,-2.5 -5,-0.2 -1,-0.3 0.795 103.4 53.9 -72.6 -33.3 37.9 9.7 19.6 312 91 B R H <> S+ 0 0 99 -3,-1.2 4,-1.7 -4,-0.3 -2,-0.2 0.899 108.7 50.5 -66.9 -41.6 40.4 8.1 21.9 313 92 B I H >X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 3,-1.3 0.995 114.1 42.9 -56.2 -65.3 42.9 10.7 20.9 314 93 B D H 3X S+ 0 0 19 -4,-2.2 4,-2.5 1,-0.3 5,-0.2 0.836 110.6 55.4 -49.2 -44.8 40.5 13.6 21.6 315 94 B M H 3X S+ 0 0 9 -4,-2.5 4,-0.8 2,-0.2 -1,-0.3 0.859 115.4 40.6 -60.0 -33.3 39.4 12.0 24.8 316 95 B Y H XX S+ 0 0 10 -4,-1.7 4,-2.0 -3,-1.3 3,-0.8 0.960 112.3 53.0 -76.0 -55.7 43.0 12.0 25.8 317 96 B A H 3X S+ 0 0 4 -4,-3.2 4,-2.5 1,-0.3 -2,-0.2 0.798 106.2 55.1 -49.2 -37.5 43.9 15.4 24.4 318 97 B D H 3X S+ 0 0 12 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.3 0.881 108.2 49.4 -66.9 -39.0 41.0 17.0 26.3 319 98 B G H X S+ 0 0 3 -4,-2.0 4,-2.9 2,-0.2 3,-0.5 0.963 113.2 57.2 -60.9 -49.9 46.0 16.7 29.2 321 100 B Q H 3X S+ 0 0 14 -4,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.905 105.2 50.7 -46.6 -50.1 44.8 20.0 27.8 322 101 B D H 3X S+ 0 0 55 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.894 113.0 47.7 -55.2 -41.7 42.8 20.6 30.9 323 102 B L H X S+ 0 0 66 -4,-1.1 3,-1.7 -5,-0.2 4,-0.7 0.826 87.6 78.8 -94.4 -34.1 46.7 30.3 34.1 330 109 B A G >< S+ 0 0 0 -4,-1.3 3,-0.5 -3,-0.3 8,-0.2 0.723 82.4 69.1 -48.3 -32.4 47.9 30.2 37.7 331 110 B P G 34 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.851 96.4 52.2 -58.7 -35.3 50.5 33.0 37.1 332 111 B F G <4 S+ 0 0 35 -3,-1.7 -2,-0.2 -4,-0.2 -3,-0.1 0.780 94.4 93.7 -72.0 -26.1 47.8 35.7 36.7 333 112 B K S << S- 0 0 86 -4,-0.7 -3,-0.0 -3,-0.5 0, 0.0 -0.038 91.6 -88.0 -62.1 166.1 46.2 34.7 40.0 334 113 B T >> - 0 0 63 1,-0.1 4,-2.8 4,-0.0 3,-0.5 -0.404 46.5 -99.2 -73.4 155.0 47.0 36.4 43.2 335 114 B P H 3> S+ 0 0 96 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.852 127.1 44.0 -41.5 -47.8 50.0 34.9 45.2 336 115 B K H 3> S+ 0 0 160 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.843 116.0 50.5 -68.1 -35.7 47.7 32.9 47.6 337 116 B E H <> S+ 0 0 100 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.976 112.2 42.3 -65.6 -60.6 45.7 31.8 44.5 338 117 B K H X S+ 0 0 52 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.780 113.3 56.2 -59.3 -29.6 48.5 30.6 42.3 339 118 B E H X S+ 0 0 88 -4,-1.5 4,-1.8 -5,-0.4 -1,-0.2 0.984 111.7 41.1 -65.8 -55.8 50.1 28.9 45.3 340 119 B E H X S+ 0 0 120 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.794 114.1 52.5 -62.3 -33.4 46.9 26.9 46.1 341 120 B S H X S+ 0 0 47 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.877 106.5 53.6 -72.1 -36.8 46.3 26.1 42.4 342 121 B Y H X S+ 0 0 65 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.955 107.3 49.2 -61.8 -52.1 49.8 24.7 41.9 343 122 B D H X S+ 0 0 79 -4,-1.8 4,-1.7 1,-0.2 3,-0.4 0.938 113.3 50.1 -50.9 -47.5 49.6 22.3 44.8 344 123 B L H X S+ 0 0 78 -4,-1.5 4,-2.7 1,-0.2 5,-0.3 0.845 102.2 59.4 -59.7 -40.6 46.3 21.2 43.3 345 124 B I H X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.892 106.1 50.0 -57.5 -40.1 47.8 20.8 39.8 346 125 B L H X S+ 0 0 37 -4,-1.8 4,-3.3 -3,-0.4 5,-0.3 0.942 111.6 47.2 -63.4 -49.4 50.2 18.2 41.3 347 126 B S H X S+ 0 0 61 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.843 112.6 48.5 -62.7 -36.2 47.4 16.3 43.0 348 127 B R H <>S+ 0 0 71 -4,-2.7 5,-1.8 2,-0.2 -1,-0.2 0.759 116.3 44.3 -77.5 -22.1 45.2 16.3 39.9 349 128 B A H ><>S+ 0 0 0 -4,-1.4 5,-3.1 -5,-0.3 3,-0.6 0.899 120.5 39.0 -84.2 -44.7 48.1 15.0 37.8 350 129 B K H 3<5S+ 0 0 88 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.878 126.5 34.5 -72.7 -40.9 49.3 12.4 40.3 351 130 B T T 3<5S+ 0 0 116 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.137 135.8 9.5-110.8 37.7 45.9 11.2 41.4 352 131 B R T < 5S+ 0 0 60 -3,-0.6 4,-0.4 0, 0.0 -3,-0.2 0.167 124.8 38.1-170.6 -54.0 43.9 11.5 38.2 353 132 B Y T >> S+ 0 0 47 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.821 107.8 54.9 -48.6 -33.3 47.6 7.0 36.8 356 135 B V H 3> S+ 0 0 32 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.934 110.4 42.6 -66.5 -47.9 45.1 6.8 33.9 357 136 B F H > - 0 0 5 -2,-0.2 4,-1.6 -72,-0.1 3,-1.0 -0.876 46.4-109.6-131.9 162.6 49.5 10.3 17.4 376 155 B W H 3> S+ 0 0 4 -74,-2.7 4,-1.9 -2,-0.3 5,-0.1 0.680 119.5 62.0 -67.0 -12.5 48.8 13.8 18.6 377 156 B A H 3> S+ 0 0 2 -75,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.835 99.9 53.9 -79.2 -32.8 47.8 12.3 21.9 378 157 B D H <> S+ 0 0 0 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.951 113.6 41.1 -62.3 -53.0 51.3 11.0 22.2 379 158 B I H >X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 3,-0.8 0.995 112.9 52.8 -55.6 -70.3 52.8 14.4 21.7 380 159 B Q H 3X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.3 -1,-0.2 0.775 110.1 50.4 -35.9 -41.8 50.2 16.2 23.9 381 160 B L H 3X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.3 0.951 108.5 50.5 -67.8 -48.2 50.9 13.7 26.7 382 161 B L H X S+ 0 0 22 -4,-3.0 4,-1.6 1,-0.2 3,-0.8 0.989 110.7 50.6 -58.6 -55.7 57.4 17.8 30.8 387 166 B M H 3< S+ 0 0 11 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.764 109.8 51.4 -53.7 -31.2 55.3 20.8 32.0 388 167 B V H >X S+ 0 0 1 -4,-1.6 4,-2.0 -5,-0.2 3,-1.4 0.865 105.1 54.1 -77.4 -36.4 54.4 19.0 35.2 389 168 B E H << S+ 0 0 36 -4,-1.9 -2,-0.2 -3,-0.8 -1,-0.2 0.827 92.3 73.3 -66.2 -29.4 58.0 18.1 36.1 390 169 B E T 3< S+ 0 0 92 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.629 109.0 34.1 -59.1 -13.2 58.9 21.8 35.8 391 170 B L T <4 S+ 0 0 66 -3,-1.4 2,-0.4 1,-0.3 -2,-0.2 0.764 139.2 13.4-105.0 -49.8 57.0 22.1 39.1 392 171 B S >< - 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