==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 24-APR-03 1OG5 . COMPND 2 MOLECULE: CYTOCHROME P450 2C9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.A.WILLIAMS,J.COSME,A.WARD,H.C.ANGOVE,D.MATAK VINKOVIC, . 922 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 6.8 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 1 0.1 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 . 49 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 381 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 6 2 2 0 2 0 0 1 3 0 6 0 0 5 3 0 0 0 0 0 0 0 1 1 0 0 2 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 8 6 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 0 1 0 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 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 30 A P 0 0 68 0, 0.0 36,-0.1 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 92.1 -31.8 83.8 57.8 2 31 A P + 0 0 48 0, 0.0 35,-2.7 0, 0.0 30,-0.1 -0.109 360.0 133.8 -62.9 157.8 -28.9 82.4 60.0 3 32 A G - 0 0 20 33,-0.2 35,-0.1 28,-0.1 33,-0.0 -0.929 60.1 -50.9 171.4 168.1 -25.3 82.4 59.3 4 33 A P - 0 0 5 0, 0.0 35,-0.1 0, 0.0 11,-0.0 -0.338 63.8-109.6 -60.7 135.3 -21.8 83.2 60.8 5 34 A T - 0 0 121 1,-0.1 2,-0.0 33,-0.1 33,-0.0 -0.612 38.7-124.4 -70.5 123.7 -21.8 86.6 62.5 6 35 A P - 0 0 51 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.306 14.7-116.6 -70.3 152.1 -19.6 89.0 60.3 7 36 A L B > -A 11 0A 79 4,-2.2 4,-1.0 -2,-0.0 6,-0.1 -0.427 47.8 -84.6 -78.3 164.4 -16.7 91.0 61.6 8 37 A P T 4 S- 0 0 119 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.798 108.4 -14.1 -39.1 -57.2 -17.0 94.9 61.4 9 38 A V T 4 S+ 0 0 87 2,-0.1 -2,-0.0 181,-0.0 0, 0.0 0.640 131.1 61.5-125.0 -27.0 -15.9 95.5 57.9 10 39 A I T >4 S- 0 0 48 1,-0.2 3,-1.5 32,-0.1 31,-0.5 0.552 82.4-166.6 -79.9 -10.3 -14.3 92.4 56.5 11 40 A G B 3< -AB 7 40A 1 -4,-1.0 -4,-2.2 1,-0.2 3,-0.3 -0.356 59.4 -22.5 64.9-130.3 -17.5 90.4 57.0 12 41 A N T >> S+ 0 0 0 27,-2.3 4,-2.0 -6,-0.2 3,-1.9 0.141 97.2 118.5-102.8 19.2 -17.2 86.6 56.7 13 42 A I H <> + 0 0 32 -3,-1.5 4,-1.3 1,-0.3 -1,-0.2 0.780 67.9 62.8 -54.7 -33.0 -13.9 86.7 54.7 14 43 A L H 34 S+ 0 0 127 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.696 112.3 35.1 -69.2 -19.1 -12.1 84.8 57.4 15 44 A Q H <4 S+ 0 0 85 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.764 125.9 33.3-106.2 -31.9 -14.3 81.8 57.0 16 45 A I H < S- 0 0 0 -4,-2.0 2,-0.3 1,-0.2 8,-0.3 0.858 90.2-171.1 -91.0 -40.2 -15.1 81.6 53.3 17 46 A G < - 0 0 8 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.1 -0.633 38.1 -88.2 93.2-145.4 -11.8 83.0 52.0 18 47 A I S S+ 0 0 60 -2,-0.3 167,-0.2 168,-0.0 428,-0.2 0.218 107.6 69.0-151.0 -9.5 -10.8 83.9 48.5 19 48 A K S S- 0 0 139 -3,-0.2 427,-1.5 1,-0.2 2,-1.4 0.811 115.4 -6.2 -82.1-111.2 -9.7 80.5 47.5 20 49 A D >> + 0 0 46 1,-0.2 4,-1.2 425,-0.1 3,-0.9 -0.670 68.8 172.1 -93.7 80.2 -12.2 77.7 47.1 21 50 A I H 3> S+ 0 0 0 -2,-1.4 4,-0.8 425,-0.5 -1,-0.2 0.541 72.1 63.3 -70.7 -2.6 -15.2 79.6 48.3 22 51 A S H 3> S+ 0 0 10 2,-0.2 4,-1.6 1,-0.1 -1,-0.3 0.796 97.5 54.1 -88.3 -34.4 -17.5 76.7 47.3 23 52 A K H <> S+ 0 0 116 -3,-0.9 4,-1.8 1,-0.2 -2,-0.2 0.893 107.1 52.7 -65.9 -37.2 -15.9 74.3 49.7 24 53 A S H X S+ 0 0 14 -4,-1.2 4,-2.7 -8,-0.3 -1,-0.2 0.863 104.8 55.4 -65.8 -38.4 -16.6 76.8 52.5 25 54 A L H X S+ 0 0 0 -4,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.901 108.0 48.0 -62.1 -42.9 -20.3 77.0 51.5 26 55 A T H X S+ 0 0 42 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.887 113.4 47.8 -65.0 -41.3 -20.7 73.2 51.8 27 56 A N H >X S+ 0 0 97 -4,-1.8 4,-0.5 1,-0.2 3,-0.5 0.902 111.4 51.2 -66.5 -38.7 -19.0 73.2 55.2 28 57 A L H >X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.2 3,-0.8 0.818 103.4 58.4 -68.7 -30.5 -21.1 76.2 56.3 29 58 A S H 3X S+ 0 0 13 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.780 95.3 64.6 -70.2 -26.1 -24.3 74.4 55.3 30 59 A K H << S+ 0 0 165 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.788 116.3 28.9 -66.7 -24.7 -23.4 71.6 57.6 31 60 A V H << S+ 0 0 94 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.736 130.2 32.5-106.6 -32.1 -23.8 74.1 60.5 32 61 A Y H < S- 0 0 81 -4,-2.5 3,-0.3 1,-0.3 -3,-0.2 0.548 103.2-121.1-105.5 -8.3 -26.4 76.7 59.4 33 62 A G < - 0 0 23 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 -0.457 45.8 -49.5 100.7-173.5 -28.6 74.6 57.2 34 63 A P S S+ 0 0 48 0, 0.0 15,-2.7 0, 0.0 2,-0.5 0.632 126.8 50.5 -75.3 -17.7 -29.7 74.8 53.5 35 64 A V E S+ C 0 48A 2 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.855 76.1 154.5-126.8 99.0 -30.6 78.5 53.7 36 65 A F E - C 0 47A 0 11,-1.7 11,-3.1 -2,-0.5 2,-0.3 -0.904 36.9-121.8-129.8 158.9 -27.9 80.7 55.2 37 66 A T E + C 0 46A 16 -35,-2.7 2,-0.3 -2,-0.3 9,-0.2 -0.732 26.0 179.7 -98.8 140.8 -26.6 84.3 55.2 38 67 A L E - C 0 45A 0 7,-2.9 7,-3.3 -2,-0.3 2,-0.5 -0.968 18.0-139.3-138.2 146.1 -23.1 85.4 54.3 39 68 A Y E - C 0 44A 77 -2,-0.3 -27,-2.3 5,-0.2 2,-0.9 -0.947 9.7-170.7-115.1 123.4 -21.3 88.8 54.2 40 69 A F E > S-BC 11 43A 3 3,-2.3 3,-1.4 -2,-0.5 2,-0.6 -0.868 81.5 -52.9-105.7 86.4 -18.9 89.8 51.5 41 70 A G T 3 S- 0 0 4 -2,-0.9 149,-0.1 -31,-0.5 148,-0.1 -0.683 121.8 -23.3 79.4-115.6 -17.8 93.0 53.2 42 71 A L T 3 S+ 0 0 133 -2,-0.6 -1,-0.3 147,-0.3 147,-0.1 0.681 114.6 105.5 -99.3 -20.8 -21.1 94.8 54.0 43 72 A K E < -C 40 0A 62 -3,-1.4 -3,-2.3 145,-0.2 2,-0.4 -0.405 64.6-141.3 -67.1 122.9 -23.1 93.0 51.3 44 73 A P E -C 39 0A 58 0, 0.0 313,-0.7 0, 0.0 2,-0.4 -0.768 20.6-172.7 -89.3 129.5 -25.5 90.3 52.6 45 74 A I E -Cd 38 357A 0 -7,-3.3 -7,-2.9 -2,-0.4 2,-0.5 -0.972 16.3-145.4-123.9 142.4 -25.8 87.2 50.5 46 75 A V E -Cd 37 358A 6 311,-2.6 313,-3.1 -2,-0.4 2,-0.4 -0.924 15.2-156.8-108.6 124.4 -28.2 84.3 50.9 47 76 A V E -Cd 36 359A 0 -11,-3.1 -11,-1.7 -2,-0.5 2,-0.5 -0.847 2.4-157.5-101.6 135.8 -26.8 80.9 50.0 48 77 A L E +Cd 35 360A 0 311,-2.6 313,-2.2 -2,-0.4 -13,-0.2 -0.969 17.1 176.5-111.6 122.8 -29.1 78.0 48.9 49 78 A H + 0 0 27 -15,-2.7 -1,-0.1 -2,-0.5 315,-0.1 0.956 41.5 50.2 -97.9 -66.5 -27.5 74.6 49.4 50 79 A G S > S- 0 0 23 1,-0.1 4,-2.2 -21,-0.1 5,-0.2 -0.096 81.2-104.4 -74.4 178.2 -29.3 71.3 48.8 51 80 A Y H > S+ 0 0 18 313,-0.3 4,-3.3 2,-0.2 5,-0.3 0.898 120.1 54.8 -63.2 -44.2 -31.4 70.1 45.8 52 81 A E H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 111.7 41.7 -56.1 -46.7 -34.6 70.7 47.7 53 82 A A H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.867 117.3 48.2 -70.7 -36.7 -33.8 74.3 48.5 54 83 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.4 0.946 113.9 46.3 -67.7 -48.6 -32.5 75.0 45.0 55 84 A K H X>S+ 0 0 57 -4,-3.3 4,-3.0 1,-0.2 5,-1.2 0.958 112.8 51.0 -56.7 -52.7 -35.5 73.4 43.3 56 85 A E H <>S+ 0 0 54 -4,-2.5 5,-2.0 -5,-0.3 -1,-0.2 0.869 118.3 37.0 -55.3 -42.6 -37.9 75.2 45.6 57 86 A A H <5S+ 0 0 0 -4,-2.0 8,-0.4 3,-0.2 4,-0.3 0.985 123.5 37.8 -76.0 -56.8 -36.3 78.6 44.9 58 87 A L H <5S+ 0 0 4 -4,-2.9 345,-0.6 -5,-0.2 -3,-0.2 0.806 134.7 18.7 -66.3 -35.2 -35.4 78.3 41.2 59 88 A I T ><5S+ 0 0 82 -4,-3.0 3,-1.8 -5,-0.4 -3,-0.2 0.880 128.2 40.6-101.2 -63.4 -38.5 76.3 40.2 60 89 A D T 3 4 S+ 0 0 62 1,-0.2 3,-1.5 -4,-0.2 -1,-0.2 0.917 110.9 52.4 -62.1 -45.5 -40.2 84.4 39.1 64 93 A E T 34 S+ 0 0 56 1,-0.3 278,-3.2 -3,-0.2 279,-0.4 0.770 115.6 41.6 -62.8 -28.8 -39.1 85.7 42.5 65 94 A F T 3< S+ 0 0 1 -4,-1.5 -1,-0.3 -8,-0.4 -2,-0.2 0.052 87.1 95.6-108.2 22.9 -35.6 84.2 42.1 66 95 A S < + 0 0 3 -3,-1.5 -1,-0.2 -5,-0.1 275,-0.1 0.354 56.4 113.4 -94.2 4.2 -35.1 85.1 38.4 67 96 A G E -E 340 0A 4 273,-1.3 273,-1.2 -3,-0.3 2,-0.6 -0.385 67.9-124.3 -76.0 152.9 -33.2 88.3 39.2 68 97 A R E -E 339 0A 27 271,-0.3 271,-0.3 18,-0.1 2,-0.2 -0.919 22.0-146.8 -99.2 123.4 -29.6 88.7 38.2 69 98 A G - 0 0 6 269,-1.8 2,-0.4 -2,-0.6 271,-0.1 -0.594 10.7-156.9 -88.0 146.0 -27.3 89.5 41.2 70 99 A I - 0 0 35 -2,-0.2 287,-0.1 269,-0.1 269,-0.0 -0.965 2.6-150.4-132.2 120.3 -24.3 91.7 40.5 71 100 A F > - 0 0 14 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.424 35.8 -98.8 -80.3 159.8 -21.2 91.9 42.6 72 101 A P H > S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.871 119.5 46.1 -42.9 -55.7 -19.1 95.2 42.9 73 102 A L H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 114.2 47.5 -58.7 -48.8 -16.4 94.2 40.4 74 103 A A H > S+ 0 0 34 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.884 110.8 54.0 -61.6 -37.1 -18.8 93.0 37.8 75 104 A E H < S+ 0 0 126 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.883 112.9 40.9 -63.5 -44.1 -20.9 96.1 38.2 76 105 A R H < S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.773 113.1 54.4 -76.2 -28.3 -18.0 98.5 37.6 77 106 A A H < S+ 0 0 11 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.2 0.507 98.5 79.4 -84.3 -3.7 -16.6 96.4 34.7 78 107 A N < + 0 0 33 -4,-0.6 2,-0.5 -3,-0.4 3,-0.1 -0.910 48.1 174.8-115.5 128.2 -19.9 96.5 32.9 79 108 A R + 0 0 169 -2,-0.5 -3,-0.1 1,-0.1 2,-0.0 -0.957 65.0 13.1-127.9 103.0 -21.3 99.4 30.8 80 109 A G S S- 0 0 22 -2,-0.5 2,-0.4 5,-0.1 -1,-0.1 0.082 74.7-112.2 106.3 144.2 -24.5 98.4 29.2 81 110 A F + 0 0 95 1,-0.1 180,-0.2 -3,-0.1 179,-0.2 -0.941 37.4 153.6-118.2 133.3 -27.0 95.5 29.6 82 111 A G S S- 0 0 1 -2,-0.4 179,-0.2 178,-0.3 12,-0.2 0.601 70.2 -55.8-113.9 -87.0 -27.7 92.7 27.2 83 112 A I S S+ 0 0 8 177,-0.3 3,-0.3 11,-0.1 12,-0.1 0.626 124.0 55.2-129.2 -49.2 -28.9 89.5 28.5 84 113 A V S S+ 0 0 30 1,-0.2 -3,-0.1 177,-0.1 177,-0.0 0.878 120.3 29.0 -59.8 -46.2 -26.5 88.1 31.1 85 114 A F S S+ 0 0 49 -5,-0.1 -1,-0.2 2,-0.0 -17,-0.1 0.448 100.3 111.0 -97.4 -2.5 -26.4 91.2 33.4 86 115 A S - 0 0 2 -3,-0.3 2,-0.3 4,-0.1 -18,-0.1 -0.242 42.7-170.8 -74.5 162.3 -30.0 92.4 32.6 87 116 A N >> + 0 0 70 -20,-0.1 4,-1.0 -2,-0.0 3,-0.7 -0.902 46.5 4.3-144.9 163.5 -33.1 92.5 34.9 88 117 A G H 3> S- 0 0 34 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 -0.193 120.9 -13.1 64.5-141.1 -36.8 93.2 34.5 89 118 A K H 3> S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.815 134.1 58.0 -66.0 -36.0 -38.5 93.9 31.1 90 119 A K H <> S+ 0 0 52 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.910 112.9 40.4 -62.1 -42.5 -35.1 94.4 29.3 91 120 A W H X S+ 0 0 12 -4,-1.0 4,-2.9 2,-0.2 5,-0.3 0.962 113.9 52.1 -68.9 -55.7 -34.0 90.9 30.4 92 121 A K H X S+ 0 0 95 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.895 115.8 41.0 -48.0 -47.6 -37.4 89.2 29.8 93 122 A E H X S+ 0 0 73 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.954 116.7 44.6 -70.1 -52.6 -37.7 90.6 26.2 94 123 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.854 115.7 49.3 -62.4 -35.5 -34.1 90.2 25.0 95 124 A R H X S+ 0 0 28 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.926 109.5 50.4 -69.3 -45.5 -33.9 86.7 26.5 96 125 A R H X S+ 0 0 174 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.900 113.8 46.8 -57.4 -43.6 -37.2 85.5 24.9 97 126 A F H X S+ 0 0 20 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.903 111.7 49.4 -63.9 -50.4 -35.9 86.8 21.6 98 127 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.926 110.2 50.6 -58.2 -44.7 -32.5 85.2 21.9 99 128 A L H < S+ 0 0 71 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.901 110.1 52.6 -61.0 -36.5 -34.0 81.8 22.8 100 129 A M H >< S+ 0 0 84 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.937 113.0 41.3 -64.1 -49.4 -36.3 82.2 19.8 101 130 A T H 3< S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.716 107.7 63.7 -72.5 -22.7 -33.4 82.8 17.4 102 131 A L T 3< S+ 0 0 30 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.385 75.5 116.5 -84.4 5.7 -31.2 80.1 19.0 103 132 A R S X S- 0 0 110 -3,-1.2 3,-1.8 -4,-0.2 9,-0.2 -0.356 84.5-105.6 -68.4 154.1 -33.7 77.4 18.0 104 133 A N T 3 S+ 0 0 41 1,-0.3 8,-2.0 2,-0.1 10,-0.2 0.878 120.5 21.0 -50.3 -42.1 -32.1 74.8 15.7 105 134 A F T 3 S+ 0 0 86 6,-0.2 3,-0.4 1,-0.1 -1,-0.3 -0.009 93.9 111.6-116.3 27.4 -34.1 76.2 12.7 106 135 A G S < S+ 0 0 12 -3,-1.8 -1,-0.1 1,-0.2 -2,-0.1 0.274 72.5 51.6 -86.5 11.4 -34.8 79.6 14.2 107 136 A M S S- 0 0 4 1,-0.5 3,-0.4 3,-0.3 -1,-0.2 -0.321 112.3 -76.1-143.7 56.3 -32.5 81.6 11.8 108 137 A G S S- 0 0 35 -3,-0.4 -1,-0.5 1,-0.2 124,-0.1 -0.391 83.9 -27.6 90.1-164.5 -33.3 80.8 8.2 109 138 A K S S+ 0 0 199 122,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.800 115.6 75.7 -59.6 -37.6 -32.5 77.8 5.9 110 139 A R S S- 0 0 66 -3,-0.4 -3,-0.3 122,-0.1 2,-0.1 -0.675 76.0-139.9 -85.5 128.8 -29.3 76.8 7.8 111 140 A S > - 0 0 13 -2,-0.4 4,-1.8 1,-0.1 -6,-0.2 -0.425 18.3-122.0 -84.3 160.5 -29.6 75.0 11.1 112 141 A I H > S+ 0 0 6 -8,-2.0 4,-2.6 1,-0.2 5,-0.2 0.947 116.0 57.2 -63.4 -44.8 -27.5 75.5 14.3 113 142 A E H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.857 104.8 51.5 -54.3 -37.5 -26.7 71.8 14.1 114 143 A D H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 108.6 48.8 -68.3 -43.0 -25.3 72.4 10.6 115 144 A R H X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.900 113.6 48.7 -63.2 -36.9 -23.1 75.3 11.7 116 145 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.833 108.3 53.5 -71.5 -33.3 -21.8 73.1 14.6 117 146 A Q H X S+ 0 0 40 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.865 107.1 51.6 -70.8 -33.8 -21.1 70.2 12.2 118 147 A E H X S+ 0 0 51 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.940 110.0 49.2 -66.7 -43.9 -19.0 72.4 9.9 119 148 A E H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.862 107.7 54.5 -62.5 -37.3 -16.9 73.5 12.9 120 149 A A H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.884 107.7 49.8 -63.7 -39.2 -16.4 69.9 14.1 121 150 A R H X S+ 0 0 137 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.930 114.3 45.2 -65.0 -43.3 -15.1 69.0 10.7 122 151 A C H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.845 107.3 57.4 -68.2 -37.1 -12.7 72.0 10.9 123 152 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.938 109.4 46.7 -58.0 -45.2 -11.8 71.2 14.5 124 153 A V H X S+ 0 0 11 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.860 107.0 57.4 -63.9 -39.2 -10.6 67.8 13.2 125 154 A E H X S+ 0 0 99 -4,-1.7 4,-1.5 1,-0.2 3,-0.3 0.939 110.0 45.5 -57.2 -47.4 -8.8 69.5 10.3 126 155 A E H < S+ 0 0 32 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.820 109.0 52.6 -65.9 -38.7 -6.7 71.4 12.8 127 156 A L H ><>S+ 0 0 0 -4,-1.8 3,-0.6 1,-0.2 5,-0.5 0.767 106.5 55.6 -70.1 -24.5 -6.0 68.5 15.1 128 157 A R H ><5S+ 0 0 108 -4,-1.6 3,-2.1 -3,-0.3 -2,-0.2 0.902 99.0 61.7 -72.7 -38.1 -4.7 66.7 12.1 129 158 A K T 3<5S+ 0 0 131 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.620 87.2 72.5 -63.1 -15.3 -2.3 69.6 11.5 130 159 A T T X 5S- 0 0 24 -3,-0.6 3,-2.0 -4,-0.4 -1,-0.3 0.484 97.4-140.4 -78.9 -3.4 -0.7 68.9 14.8 131 160 A K T < 5 - 0 0 182 -3,-2.1 -2,-0.1 1,-0.3 -3,-0.1 0.770 55.3 -69.0 48.2 35.7 0.8 65.8 13.1 132 161 A A T 3 - 0 0 62 -2,-0.3 3,-0.7 319,-0.2 4,-0.4 -0.932 22.2-161.9-103.0 106.7 -1.6 71.7 24.6 137 166 A P T 3> + 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.4 0.564 63.1 102.1 -67.8 -10.8 -5.2 71.7 23.3 138 167 A T H 3> S+ 0 0 51 1,-0.2 4,-1.1 2,-0.2 140,-0.1 0.836 85.9 40.1 -42.2 -48.1 -6.2 74.9 25.1 139 168 A F H <> S+ 0 0 96 -3,-0.7 4,-1.7 2,-0.2 3,-0.4 0.955 116.5 43.7 -70.4 -59.1 -6.0 77.0 22.0 140 169 A I H >> S+ 0 0 19 -4,-0.4 4,-1.4 1,-0.2 3,-0.6 0.947 115.5 50.6 -52.1 -50.2 -7.5 74.7 19.3 141 170 A L H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.760 109.1 51.6 -60.4 -29.9 -10.3 73.7 21.6 142 171 A G H 3X S+ 0 0 5 -4,-1.1 4,-1.5 -3,-0.4 -1,-0.2 0.798 103.3 58.9 -78.6 -28.0 -11.1 77.4 22.4 143 172 A C H S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.899 115.1 51.2 -63.3 -41.2 -16.7 77.3 20.4 146 175 A C H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.904 110.4 50.0 -61.9 -40.8 -15.8 81.0 19.6 147 176 A N H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.818 104.4 57.1 -68.6 -33.1 -16.3 80.2 15.9 148 177 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.950 109.3 45.9 -62.9 -48.6 -19.7 78.6 16.4 149 178 A I H X S+ 0 0 8 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.890 110.6 53.9 -60.9 -39.0 -20.9 81.8 18.1 150 179 A C H X>S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 6,-0.6 0.926 109.0 49.4 -59.8 -42.2 -19.2 83.8 15.2 151 180 A S H X5S+ 0 0 1 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.881 111.1 49.2 -64.6 -39.0 -21.2 81.6 12.8 152 181 A I H <5S+ 0 0 4 -4,-2.2 82,-3.0 1,-0.2 -1,-0.2 0.796 121.5 33.6 -71.7 -30.6 -24.5 82.3 14.7 153 182 A I H <5S+ 0 0 0 -4,-1.9 82,-0.8 80,-0.2 -2,-0.2 0.775 133.4 23.8 -98.1 -30.6 -24.0 86.0 14.8 154 183 A F H <5S- 0 0 14 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.528 93.3-126.5-111.5 -10.5 -22.2 86.8 11.5 155 184 A H S < - 0 0 98 -2,-0.3 3,-1.6 1,-0.1 6,-0.2 -0.612 43.1-110.8 -75.5 143.8 -10.5 80.4 9.4 160 189 A Y T 3 S+ 0 0 6 1,-0.3 -1,-0.1 -2,-0.2 -17,-0.0 0.422 116.6 50.4 -58.7 3.4 -8.6 79.8 12.6 161 190 A K T 3 S+ 0 0 137 4,-0.0 -1,-0.3 5,-0.0 5,-0.1 0.581 73.2 121.4-116.9 -15.5 -6.0 82.3 11.3 162 191 A D <> - 0 0 61 -3,-1.6 4,-1.8 1,-0.1 3,-0.3 -0.255 62.7-135.8 -53.0 127.9 -8.0 85.3 10.3 163 192 A Q H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.862 102.7 60.6 -57.7 -38.5 -6.7 88.3 12.3 164 193 A Q H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 108.7 46.7 -51.9 -46.3 -10.3 89.5 13.1 165 194 A F H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.887 109.5 50.0 -62.9 -51.1 -10.8 86.2 14.8 166 195 A L H X S+ 0 0 44 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.854 110.0 52.2 -61.9 -34.3 -7.5 86.1 16.8 167 196 A N H X S+ 0 0 49 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.942 111.7 46.1 -67.2 -43.3 -8.2 89.7 18.1 168 197 A L H X S+ 0 0 2 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.893 114.0 48.7 -63.8 -41.9 -11.6 88.6 19.2 169 198 A M H X S+ 0 0 5 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.922 108.7 54.0 -63.0 -46.6 -10.1 85.4 20.8 170 199 A E H X S+ 0 0 101 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.872 109.1 47.0 -56.2 -47.0 -7.4 87.4 22.6 171 200 A K H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.902 113.0 48.7 -65.5 -42.9 -9.9 89.8 24.2 172 201 A L H X S+ 0 0 9 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.930 115.9 44.3 -63.8 -42.1 -12.1 86.9 25.4 173 202 A N H X S+ 0 0 68 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.835 110.5 54.3 -71.4 -34.3 -9.1 85.1 26.8 174 203 A E H X S+ 0 0 48 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.948 107.2 51.1 -65.2 -46.6 -7.6 88.2 28.4 175 204 A N H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.835 109.9 50.2 -59.8 -34.9 -10.9 88.8 30.2 176 205 A I H X S+ 0 0 41 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.935 107.6 52.0 -70.3 -47.4 -10.8 85.3 31.5 177 206 A E H < S+ 0 0 146 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.883 113.7 46.4 -55.3 -40.4 -7.2 85.5 32.8 178 207 A I H >< S+ 0 0 30 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.950 113.1 46.1 -67.5 -52.7 -8.2 88.7 34.7 179 208 A L H 3< S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.661 109.0 59.1 -66.8 -14.7 -11.4 87.3 36.2 180 209 A S T 3< S+ 0 0 48 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.309 76.7 105.7 -97.8 6.0 -9.6 84.1 37.2 181 210 A S S X S- 0 0 29 -3,-1.6 3,-2.4 1,-0.1 4,-0.3 -0.802 71.3-135.6 -86.5 121.8 -7.0 85.9 39.4 182 211 A P T > S+ 0 0 41 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.771 97.2 66.5 -39.4 -43.8 -7.8 85.2 43.0 183 212 A W T >> S+ 0 0 129 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.514 76.0 84.8 -65.4 -11.2 -7.3 88.5 44.3 184 213 A I H X> S+ 0 0 7 -3,-2.4 3,-2.0 1,-0.3 4,-0.7 0.915 81.8 67.3 -54.9 -40.9 -10.2 89.8 42.2 185 214 A Q H <> S+ 0 0 9 -3,-1.8 4,-1.5 -4,-0.3 3,-0.4 0.736 83.7 69.5 -49.4 -32.6 -12.2 88.6 45.3 186 215 A V H <> S+ 0 0 45 -3,-1.3 4,-2.2 1,-0.2 -1,-0.3 0.883 97.2 53.6 -56.3 -37.0 -10.7 91.3 47.4 187 216 A Y H << S+ 0 0 4 -3,-2.0 -1,-0.2 -4,-0.6 -2,-0.2 0.825 104.3 54.1 -66.4 -35.9 -12.7 93.8 45.3 188 217 A N H < S+ 0 0 14 -4,-0.7 -1,-0.2 -3,-0.4 -145,-0.2 0.789 114.3 41.0 -70.7 -27.1 -16.0 92.0 46.0 189 218 A N H < S+ 0 0 3 -4,-1.5 -147,-0.3 -3,-0.2 -2,-0.2 0.791 128.3 31.1 -87.4 -32.9 -15.3 92.2 49.8 190 219 A F >< + 0 0 53 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 -0.685 63.0 178.1-130.6 82.9 -14.0 95.8 49.6 191 220 A P T > S+ 0 0 64 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.713 77.9 70.0 -54.4 -27.0 -15.7 97.9 46.8 192 221 A A T >> S+ 0 0 61 1,-0.3 3,-1.0 2,-0.2 4,-1.0 0.816 85.8 68.4 -64.1 -26.7 -13.7 101.0 47.8 193 222 A L H <> S+ 0 0 55 -3,-1.9 4,-2.3 1,-0.3 -1,-0.3 0.612 85.9 70.7 -66.7 -12.9 -10.6 99.3 46.5 194 223 A L H <4 S+ 0 0 4 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.910 98.0 47.4 -70.0 -39.5 -12.1 99.7 43.0 195 224 A D H <4 S+ 0 0 107 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.822 115.8 45.5 -70.5 -30.3 -11.5 103.4 43.1 196 225 A Y H < S+ 0 0 182 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.868 125.1 27.1 -82.4 -39.8 -7.9 102.9 44.3 197 226 A F < + 0 0 126 -4,-2.3 3,-0.5 1,-0.1 -1,-0.3 -0.746 68.6 157.0-124.3 78.2 -6.8 100.2 42.0 198 227 A P > + 0 0 45 0, 0.0 4,-1.6 0, 0.0 5,-0.3 0.511 46.6 99.9 -82.0 -3.4 -8.9 100.7 38.9 199 228 A G H > S+ 0 0 51 2,-0.2 4,-1.9 3,-0.2 2,-0.5 0.912 77.8 61.7 -45.6 -47.2 -6.5 98.9 36.6 200 229 A T H 4 S+ 0 0 19 -3,-0.5 -3,-0.1 1,-0.2 -1,-0.0 -0.720 113.1 23.6 -85.5 123.3 -8.7 95.9 36.8 201 230 A H H > S+ 0 0 6 -2,-0.5 4,-1.9 -124,-0.1 -1,-0.2 -0.264 113.9 67.8 110.1 -34.4 -12.1 96.9 35.4 202 231 A N H X S+ 0 0 86 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.892 105.5 45.1 -74.7 -37.3 -10.7 99.7 33.3 203 232 A K H X S+ 0 0 65 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.848 113.1 48.3 -70.7 -40.3 -9.0 96.8 31.3 204 233 A L H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.908 112.5 49.4 -68.0 -40.2 -12.2 94.7 31.2 205 234 A L H X S+ 0 0 20 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.887 110.8 50.4 -64.3 -39.7 -14.2 97.8 30.1 206 235 A K H X S+ 0 0 141 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.950 110.8 48.6 -63.2 -50.0 -11.6 98.5 27.4 207 236 A N H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.860 112.3 48.5 -59.5 -39.0 -11.7 94.9 26.1 208 237 A V H X S+ 0 0 23 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.895 110.0 51.7 -69.1 -40.6 -15.5 94.9 26.0 209 238 A A H X S+ 0 0 55 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.865 107.6 53.4 -63.9 -36.4 -15.5 98.2 24.2 210 239 A F H X S+ 0 0 88 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.929 112.6 43.6 -62.7 -49.1 -13.1 96.7 21.6 211 240 A M H X S+ 0 0 6 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.896 113.1 51.8 -64.8 -39.7 -15.5 93.8 21.1 212 241 A K H X S+ 0 0 30 -4,-2.9 4,-2.2 1,-0.2 3,-0.3 0.932 110.5 47.0 -62.7 -47.3 -18.6 96.0 20.9 213 242 A S H X S+ 0 0 77 -4,-2.5 4,-1.3 1,-0.3 -1,-0.2 0.823 111.7 52.6 -64.3 -32.2 -17.1 98.4 18.3 214 243 A Y H X S+ 0 0 19 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.3 0.793 110.6 46.1 -72.5 -33.7 -16.0 95.3 16.3 215 244 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.3 -2,-0.2 0.815 106.7 59.3 -77.4 -30.9 -19.5 93.9 16.4 216 245 A L H X S+ 0 0 43 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.851 100.6 56.1 -64.1 -35.6 -20.8 97.4 15.4 217 246 A E H X S+ 0 0 111 -4,-1.3 4,-1.7 1,-0.2 3,-0.2 0.965 110.1 46.6 -58.5 -47.2 -18.7 97.1 12.3 218 247 A K H X S+ 0 0 18 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.857 109.0 51.0 -64.4 -42.6 -20.6 93.9 11.6 219 248 A V H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.818 108.8 53.9 -67.5 -30.0 -24.1 95.2 12.3 220 249 A K H X S+ 0 0 127 -4,-1.8 4,-0.9 -3,-0.2 -1,-0.2 0.884 108.2 48.3 -70.6 -36.3 -23.4 98.1 9.9 221 250 A E H X S+ 0 0 96 -4,-1.7 4,-2.0 1,-0.2 3,-0.2 0.884 114.2 49.0 -69.2 -33.6 -22.4 95.6 7.2 222 251 A H H < S+ 0 0 18 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.747 102.5 58.8 -76.4 -29.0 -25.6 93.8 8.0 223 252 A Q H < S+ 0 0 95 -4,-1.7 3,-0.2 2,-0.2 -1,-0.2 0.767 112.7 42.5 -71.0 -24.5 -27.9 96.9 7.9 224 253 A E H < S+ 0 0 168 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.1 0.962 119.7 39.7 -81.7 -59.5 -26.7 97.3 4.3 225 254 A S S < S+ 0 0 81 -4,-2.0 2,-0.7 -5,-0.1 -1,-0.2 -0.075 85.3 135.5 -79.0 23.5 -26.9 93.7 3.1 226 255 A M - 0 0 43 -3,-0.2 2,-0.9 -5,-0.0 -3,-0.0 -0.708 35.4-170.6 -92.0 118.8 -30.1 92.9 5.0 227 256 A D > - 0 0 81 -2,-0.7 3,-1.3 3,-0.3 2,-0.2 -0.893 13.0-155.8-100.1 101.6 -32.8 90.9 3.2 228 257 A M T 3 S+ 0 0 69 -2,-0.9 9,-0.0 1,-0.2 8,-0.0 -0.586 89.7 44.1 -69.0 148.3 -35.8 91.1 5.5 229 258 A N T 3 S+ 0 0 145 -2,-0.2 -1,-0.2 0, 0.0 -2,-0.0 -0.218 115.1 56.2 101.3 -36.3 -37.7 87.9 4.4 230 259 A N S < S+ 0 0 85 -3,-1.3 -3,-0.3 -122,-0.1 -2,-0.1 -0.444 71.0 176.1-126.3 61.3 -34.3 86.1 4.3 231 260 A P + 0 0 29 0, 0.0 -122,-0.2 0, 0.0 3,-0.1 -0.371 5.3 176.1 -66.7 139.8 -32.7 86.3 7.8 232 261 A Q + 0 0 95 1,-0.2 2,-0.3 -124,-0.1 -125,-0.1 0.544 55.9 10.8-121.9 -12.8 -29.4 84.4 8.1 233 262 A D S > S- 0 0 2 -80,-0.1 4,-2.1 -79,-0.1 -80,-0.2 -0.901 85.9 -79.5-153.0-176.5 -28.0 85.1 11.6 234 263 A F H > S+ 0 0 0 -82,-3.0 4,-2.1 -2,-0.3 -81,-0.2 0.840 124.6 51.2 -59.8 -39.2 -28.6 86.6 15.0 235 264 A I H > S+ 0 0 0 -82,-0.8 4,-3.2 2,-0.2 5,-0.2 0.954 107.0 51.2 -65.6 -51.1 -28.0 90.1 13.7 236 265 A D H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.923 113.3 46.9 -51.9 -45.8 -30.4 89.9 10.8 237 266 A C H X S+ 0 0 15 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.871 112.6 49.0 -65.0 -39.7 -33.1 88.7 13.2 238 267 A F H >X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 3,-0.7 0.935 111.1 50.0 -65.4 -47.2 -32.3 91.5 15.7 239 268 A L H 3X S+ 0 0 9 -4,-3.2 4,-1.0 1,-0.3 3,-0.5 0.926 112.9 45.5 -57.6 -46.6 -32.4 94.1 13.0 240 269 A M H 3X S+ 0 0 24 -4,-2.5 4,-0.8 1,-0.2 -1,-0.3 0.606 107.2 58.0 -76.0 -11.8 -35.7 93.0 11.7 241 270 A K H < S+ 0 0 98 -4,-1.0 3,-0.7 2,-0.2 4,-0.2 0.792 104.8 53.9 -76.4 -30.8 -38.4 97.1 12.5 244 273 A K H 3< S+ 0 0 149 -4,-0.8 3,-0.3 1,-0.2 -1,-0.2 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-121,-0.0 -1,-0.3 0, 0.0 -121,-0.0 0.108 117.8 59.1 92.9 -18.2 -47.3 31.8 -5.0 692 259 B N < + 0 0 89 -3,-2.0 -2,-0.1 -122,-0.0 -3,-0.1 -0.290 69.0 172.5-135.4 51.6 -49.1 35.1 -5.3 693 260 B P - 0 0 22 0, 0.0 -122,-0.2 0, 0.0 3,-0.1 -0.313 8.3-178.2 -63.9 142.4 -50.8 35.8 -1.9 694 261 B Q + 0 0 108 1,-0.2 2,-0.3 -124,-0.1 -125,-0.1 0.548 56.8 7.5-118.9 -12.5 -52.3 39.3 -1.6 695 262 B D S > S- 0 0 0 -80,-0.1 4,-2.5 -79,-0.1 -80,-0.2 -0.918 86.0 -77.1-155.7-177.2 -53.8 39.5 1.9 696 263 B F H > S+ 0 0 0 -82,-2.5 4,-2.7 -2,-0.3 -81,-0.2 0.875 124.8 50.5 -56.9 -43.8 -54.2 37.9 5.4 697 264 B I H > S+ 0 0 0 -82,-1.1 4,-3.7 2,-0.2 5,-0.3 0.944 110.2 48.1 -62.7 -49.9 -56.7 35.4 4.1 698 265 B D H > S+ 0 0 12 -83,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.921 115.2 46.4 -56.9 -44.3 -54.6 34.2 1.1 699 266 B C H X S+ 0 0 12 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.888 115.4 46.2 -65.3 -40.2 -51.6 33.8 3.5 700 267 B F H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.928 114.5 46.2 -67.2 -47.8 -53.8 32.0 6.1 701 268 B L H X S+ 0 0 9 -4,-3.7 4,-0.9 1,-0.2 3,-0.4 0.920 112.6 51.7 -59.1 -42.0 -55.4 29.8 3.5 702 269 B M H X S+ 0 0 23 -4,-2.7 4,-1.2 -5,-0.3 -1,-0.2 0.766 107.1 53.6 -64.6 -31.4 -52.0 29.1 2.0 703 270 B K H X S+ 0 0 65 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.788 98.6 62.9 -75.0 -31.1 -50.8 28.2 5.5 704 271 B M H X S+ 0 0 45 -4,-1.5 4,-1.6 -3,-0.4 -2,-0.2 0.809 100.9 54.6 -63.7 -28.8 -53.5 25.6 5.9 705 272 B E H >< S+ 0 0 93 -4,-0.9 3,-0.7 2,-0.2 4,-0.4 0.982 102.7 52.0 -68.0 -56.9 -52.0 23.7 3.0 706 273 B K H 3< S+ 0 0 143 -4,-1.2 4,-0.3 1,-0.2 -1,-0.2 0.662 115.5 47.3 -53.8 -17.1 -48.5 23.4 4.5 707 274 B E H 3< S+ 0 0 31 -4,-0.7 3,-0.4 1,-0.1 -1,-0.2 0.762 82.6 90.6 -98.6 -32.4 -50.3 22.0 7.6 708 275 B K S << S+ 0 0 95 -4,-1.6 3,-0.4 -3,-0.7 -2,-0.1 0.584 90.7 44.4 -41.0 -24.3 -52.7 19.5 6.2 709 276 B H S S+ 0 0 170 -4,-0.4 2,-1.9 1,-0.4 -1,-0.2 0.832 115.8 45.4 -93.9 -40.8 -50.4 16.5 6.4 710 277 B N S S+ 0 0 105 -3,-0.4 -1,-0.4 -4,-0.3 3,-0.3 -0.677 102.3 160.2 -86.7 91.4 -49.1 17.2 9.8 711 278 B Q + 0 0 102 -2,-1.9 -3,-0.1 -3,-0.4 -4,-0.0 -0.727 42.2 99.1-157.6 128.2 -52.3 17.8 10.9 712 279 B P S S- 0 0 135 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.218 81.2-168.8-109.8 30.4 -54.7 18.1 13.7 713 280 B S - 0 0 21 -3,-0.3 -2,-0.1 -6,-0.2 -161,-0.0 0.577 46.3-138.5 -47.6 168.3 -53.9 21.8 13.1 714 281 B E S S+ 0 0 42 -163,-0.1 2,-0.6 1,-0.0 -1,-0.1 0.657 87.1 80.5 -85.2 -23.3 -54.4 25.1 14.7 715 282 B F + 0 0 8 -12,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.811 58.1 136.7 -96.1 115.7 -55.1 26.8 11.3 716 283 B T > - 0 0 56 -2,-0.6 4,-2.0 1,-0.0 5,-0.2 -0.910 68.1 -95.1-144.5 173.4 -58.7 26.3 10.2 717 284 B I H > S+ 0 0 41 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.861 125.6 49.5 -63.3 -34.0 -61.5 28.3 8.6 718 285 B E H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.951 110.0 47.4 -70.6 -48.3 -62.9 28.8 12.1 719 286 B S H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.798 113.1 51.4 -64.5 -27.1 -59.6 30.0 13.7 720 287 B L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.902 107.9 51.6 -71.3 -45.6 -59.2 32.3 10.7 721 288 B E H X S+ 0 0 19 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.925 114.2 43.6 -56.6 -43.7 -62.7 33.7 11.2 722 289 B N H X S+ 0 0 9 -4,-2.5 4,-1.2 -179,-0.2 -178,-0.3 0.857 112.6 51.0 -71.3 -38.9 -61.8 34.3 14.9 723 290 B T H X S+ 0 0 0 -4,-2.0 4,-1.9 -180,-0.2 -1,-0.2 0.866 110.2 52.1 -67.2 -34.5 -58.4 35.8 14.2 724 291 B A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.908 109.8 44.6 -70.5 -44.5 -59.9 38.1 11.6 725 292 B V H X S+ 0 0 15 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.748 110.9 57.8 -70.8 -25.5 -62.6 39.6 13.8 726 293 B D H X S+ 0 0 14 -4,-1.2 4,-3.7 2,-0.2 5,-0.4 0.939 105.6 48.5 -67.3 -45.4 -60.0 39.9 16.5 727 294 B L H X S+ 0 0 23 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.851 113.3 48.1 -62.7 -35.8 -57.9 42.1 14.2 728 295 B F H X S+ 0 0 1 -4,-1.7 4,-0.9 2,-0.2 5,-0.3 0.905 116.6 43.1 -71.3 -40.7 -60.9 44.2 13.4 729 296 B G H X S+ 0 0 38 -4,-2.4 4,-0.7 2,-0.2 5,-0.3 0.916 121.0 37.5 -72.9 -44.4 -61.7 44.5 17.1 730 297 B A H < S+ 0 0 56 -4,-3.7 4,-0.3 1,-0.2 5,-0.3 0.800 121.0 48.5 -79.2 -24.7 -58.2 45.2 18.4 731 298 B G H < S+ 0 0 16 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.518 109.9 45.5 -92.8 -7.9 -57.4 47.3 15.4 732 299 B T H X S+ 0 0 2 -4,-0.9 4,-2.3 -3,-0.2 5,-0.2 0.910 107.0 42.4 -98.7 -65.8 -60.3 49.6 15.1 733 300 B E H X S+ 0 0 37 -4,-0.7 4,-3.2 -5,-0.3 5,-0.2 0.888 114.6 43.3 -50.2 -61.7 -61.3 51.1 18.4 734 301 B T H > S+ 0 0 46 -4,-0.3 4,-2.4 -5,-0.3 -1,-0.2 0.902 116.4 46.5 -57.1 -48.6 -58.1 52.0 20.1 735 302 B T H > S+ 0 0 13 -5,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.929 115.8 47.8 -59.6 -47.3 -56.4 53.5 17.0 736 303 B S H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 3,-0.2 0.943 112.4 47.0 -58.1 -53.7 -59.6 55.5 16.2 737 304 B T H X S+ 0 0 2 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.864 110.0 55.2 -59.6 -36.2 -59.9 56.8 19.8 738 305 B T H X S+ 0 0 7 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.895 109.6 45.9 -64.2 -41.0 -56.2 57.7 19.8 739 306 B L H X S+ 0 0 1 -4,-2.0 4,-2.3 -3,-0.2 -2,-0.2 0.916 112.8 49.5 -67.7 -43.8 -56.7 59.8 16.6 740 307 B R H X S+ 0 0 30 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.935 114.1 45.8 -61.2 -44.4 -59.8 61.5 18.0 741 308 B Y H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.850 108.8 56.6 -67.6 -35.6 -58.1 62.3 21.2 742 309 B A H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.945 106.9 48.2 -62.9 -45.6 -55.0 63.5 19.4 743 310 B L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.865 109.8 53.0 -63.5 -36.3 -57.0 66.1 17.4 744 311 B L H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.934 111.0 46.4 -63.0 -46.0 -58.7 67.3 20.6 745 312 B L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.879 110.0 53.1 -64.8 -36.7 -55.2 67.8 22.2 746 313 B L H < S+ 0 0 6 -4,-2.5 7,-0.4 1,-0.2 -1,-0.2 0.846 109.5 50.2 -67.4 -31.1 -54.0 69.6 19.1 747 314 B L H < S+ 0 0 11 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.909 110.7 48.4 -70.6 -43.8 -57.0 71.9 19.3 748 315 B K H < S+ 0 0 56 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.775 119.0 40.3 -67.5 -29.6 -56.3 72.6 23.0 749 316 B H X + 0 0 55 -4,-1.8 4,-1.7 -5,-0.2 3,-0.5 -0.697 60.9 165.3-124.3 78.6 -52.6 73.3 22.3 750 317 B P H > S+ 0 0 78 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.789 76.9 64.2 -64.9 -24.2 -52.3 75.4 19.1 751 318 B E H > S+ 0 0 159 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.923 106.3 44.9 -63.4 -39.8 -48.7 76.3 19.9 752 319 B V H > S+ 0 0 15 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.910 112.3 51.0 -67.5 -46.0 -47.9 72.5 19.7 753 320 B T H X S+ 0 0 12 -4,-1.7 4,-2.2 -7,-0.4 -2,-0.2 0.893 107.4 53.9 -59.2 -43.2 -49.9 72.2 16.4 754 321 B A H X S+ 0 0 40 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.882 108.4 49.0 -61.4 -38.5 -48.0 75.2 14.9 755 322 B K H X S+ 0 0 88 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.885 108.8 52.9 -69.9 -36.9 -44.7 73.5 15.7 756 323 B V H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.908 110.8 47.8 -63.1 -42.5 -45.9 70.2 14.1 757 324 B Q H X S+ 0 0 30 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.829 106.3 56.1 -69.2 -31.1 -46.8 72.1 10.9 758 325 B E H X S+ 0 0 103 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.930 110.4 47.2 -65.5 -38.6 -43.5 73.9 10.8 759 326 B E H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 5,-0.4 0.880 111.3 48.9 -69.2 -40.8 -41.9 70.5 10.8 760 327 B I H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.934 110.4 53.4 -64.5 -44.3 -44.2 69.0 8.1 761 328 B E H < S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.866 115.5 38.4 -58.1 -41.8 -43.5 72.1 6.0 762 329 B R H < S+ 0 0 111 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.825 126.4 32.6 -81.3 -36.6 -39.7 71.7 6.2 763 330 B V H < S+ 0 0 30 -4,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.854 125.4 33.8 -88.3 -43.4 -39.4 67.9 6.0 764 331 B I S < S- 0 0 1 -4,-2.5 -1,-0.2 -5,-0.4 5,-0.0 -0.884 85.6-124.4-111.1 145.8 -42.3 67.1 3.7 765 332 B G - 0 0 29 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.205 26.2-111.1 -69.8-160.3 -43.4 69.4 1.0 766 333 B R S S+ 0 0 110 3,-0.0 -1,-0.1 -5,-0.0 -5,-0.1 0.340 115.2 54.5-108.8 -1.7 -47.0 70.6 0.8 767 334 B N S S+ 0 0 151 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.867 93.7 55.7 -91.5 -91.8 -47.1 68.3 -2.3 768 335 B R S S- 0 0 115 1,-0.1 -4,-0.0 0, 0.0 0, 0.0 0.158 86.6-106.4 -46.6 155.8 -46.0 64.7 -1.7 769 336 B S - 0 0 40 1,-0.1 -1,-0.1 -5,-0.0 -4,-0.1 -0.602 39.7 -98.4 -86.6 151.1 -47.7 62.6 0.9 770 337 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.207 41.8-171.7 -63.9 157.6 -45.9 61.8 4.2 771 338 B C > - 0 0 29 108,-0.0 3,-1.5 1,-0.0 4,-0.4 -0.935 39.6 -98.4-145.0 166.2 -44.2 58.4 4.5 772 339 B M G > S+ 0 0 31 -2,-0.3 3,-1.6 1,-0.3 4,-0.4 0.819 115.6 68.4 -59.6 -30.5 -42.5 56.5 7.4 773 340 B Q G 3 S+ 0 0 160 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.746 92.1 62.4 -61.7 -21.8 -39.0 57.6 6.3 774 341 B D G X S+ 0 0 10 -3,-1.5 3,-0.9 1,-0.2 -1,-0.3 0.707 84.3 78.6 -76.3 -21.3 -39.9 61.2 7.3 775 342 B R G X S+ 0 0 85 -3,-1.6 3,-1.8 -4,-0.4 7,-0.3 0.862 87.0 53.8 -58.2 -42.4 -40.4 60.2 11.0 776 343 B S G 3 S+ 0 0 63 -4,-0.4 -1,-0.2 -3,-0.4 76,-0.2 0.739 110.8 48.7 -66.8 -20.4 -36.7 60.2 12.0 777 344 B H G < S+ 0 0 95 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.266 104.6 65.8 -99.1 8.8 -36.4 63.7 10.6 778 345 B M <> + 0 0 0 -3,-1.8 4,-2.4 1,-0.1 -1,-0.2 -0.464 54.4 156.5-129.4 64.7 -39.5 64.8 12.5 779 346 B P H > S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 74,-0.1 0.813 75.2 51.5 -58.9 -35.7 -38.6 64.5 16.3 780 347 B Y H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.971 111.7 44.2 -67.5 -55.8 -41.2 67.0 17.4 781 348 B T H > S+ 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