==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-JUL-11 3T3Q . COMPND 2 MOLECULE: CYTOCHROME P450 2A6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.M.DEVORE,E.E.SCOTT . 1852 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1339 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 7.7 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 . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 74 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 225 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 801 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.1 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 4 0 4 2 2 0 4 4 4 8 0 4 8 4 1 2 1 0 0 2 2 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 4 0 0 2 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 . 16 9 7 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 8 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 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 32 A K 0 0 176 0, 0.0 352,-2.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.4 -50.0 16.2 -24.0 2 33 A L - 0 0 61 350,-0.2 352,-0.1 1,-0.1 37,-0.1 -0.409 360.0 -83.1 -60.7 148.3 -47.3 16.8 -26.5 3 34 A P - 0 0 4 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.239 58.2 -95.6 -53.8 150.8 -48.1 15.1 -29.8 4 35 A P + 0 0 54 0, 0.0 35,-1.4 0, 0.0 30,-0.1 -0.371 54.5 159.8 -71.5 147.9 -47.3 11.3 -29.8 5 36 A G - 0 0 23 33,-0.2 35,-0.1 -3,-0.1 2,-0.1 -0.969 45.8 -69.8-153.2 170.9 -44.0 10.1 -31.2 6 37 A P - 0 0 11 0, 0.0 35,-0.1 0, 0.0 11,-0.0 -0.418 64.3 -96.3 -59.5 142.3 -41.4 7.3 -31.3 7 38 A T - 0 0 120 -2,-0.1 2,-0.1 1,-0.1 33,-0.0 -0.489 46.3-146.7 -62.7 117.4 -39.6 7.0 -27.9 8 39 A P - 0 0 45 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.312 2.5-129.2 -82.2 171.2 -36.2 8.9 -28.3 9 40 A L B > -A 13 0A 34 4,-2.2 4,-2.2 32,-0.1 6,-0.2 -0.896 43.8 -77.3-113.1 150.3 -32.9 8.1 -26.7 10 41 A P T 4 S- 0 0 44 0, 0.0 2,-2.4 0, 0.0 653,-0.2 -0.195 106.8 -16.4 -47.3 131.6 -30.7 10.7 -24.8 11 42 A F T 4 S+ 0 0 26 651,-0.3 34,-0.2 1,-0.2 3,-0.1 -0.249 132.7 64.1 67.3 -51.4 -28.9 13.0 -27.2 12 43 A I T >4 S- 0 0 22 -2,-2.4 3,-1.3 1,-0.2 31,-0.9 0.677 81.5-175.9 -74.4 -15.1 -29.3 11.0 -30.4 13 44 A G B 3< -AB 9 42A 6 -4,-2.2 -4,-2.2 1,-0.2 3,-0.4 -0.375 66.7 -9.5 59.4-124.1 -33.1 11.5 -30.1 14 45 A N T >> S+ 0 0 0 27,-3.2 3,-1.4 29,-0.2 4,-0.5 -0.073 91.1 131.3 -99.6 30.3 -34.9 9.6 -32.8 15 46 A Y G X4 + 0 0 99 -3,-1.3 3,-1.3 1,-0.2 -1,-0.2 0.852 68.1 57.1 -40.2 -49.8 -31.7 8.7 -34.7 16 47 A L G 34 S+ 0 0 81 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.685 109.9 43.8 -67.7 -18.9 -32.7 5.0 -35.0 17 48 A Q G <4 S+ 0 0 70 -3,-1.4 2,-0.5 1,-0.0 -1,-0.3 0.392 102.8 82.6-102.7 -0.3 -36.0 5.8 -36.8 18 49 A L << - 0 0 15 -3,-1.3 2,-0.8 -4,-0.5 5,-0.1 -0.928 57.5-161.2-118.0 121.8 -34.5 8.4 -39.1 19 50 A N > - 0 0 91 -2,-0.5 3,-1.6 3,-0.3 7,-0.3 -0.868 13.7-156.3 -95.0 104.9 -32.6 7.8 -42.4 20 51 A T T > S+ 0 0 20 -2,-0.8 3,-0.6 1,-0.3 167,-0.2 0.715 89.1 60.8 -61.4 -24.3 -30.7 11.1 -42.9 21 52 A E T 3 S+ 0 0 130 1,-0.3 426,-0.6 2,-0.1 -1,-0.3 0.800 119.9 26.0 -70.1 -32.6 -30.5 10.5 -46.7 22 53 A Q B <> +g 447 0B 43 -3,-1.6 4,-2.2 1,-0.1 -3,-0.3 -0.564 68.7 159.4-132.4 73.1 -34.3 10.5 -46.9 23 54 A M H <> S+ 0 0 2 -3,-0.6 4,-2.6 424,-0.5 5,-0.2 0.866 76.5 55.7 -57.0 -40.4 -35.6 12.6 -44.0 24 55 A Y H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.955 110.2 42.4 -61.5 -52.8 -38.9 13.1 -45.8 25 56 A N H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 114.0 53.8 -61.9 -38.6 -39.7 9.4 -46.3 26 57 A S H X S+ 0 0 12 -4,-2.2 4,-1.4 -7,-0.3 -1,-0.2 0.924 111.8 43.5 -59.3 -48.1 -38.5 8.7 -42.8 27 58 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.870 113.6 50.1 -68.7 -39.4 -40.9 11.3 -41.3 28 59 A M H X S+ 0 0 28 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.846 107.0 57.0 -64.7 -36.8 -43.8 10.2 -43.5 29 60 A K H < S+ 0 0 128 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.871 108.4 45.5 -62.1 -40.3 -43.2 6.6 -42.5 30 61 A I H >X S+ 0 0 7 -4,-1.4 4,-2.1 1,-0.2 3,-0.8 0.827 107.1 58.0 -77.7 -27.4 -43.6 7.5 -38.8 31 62 A S H 3X S+ 0 0 18 -4,-1.5 4,-3.2 1,-0.2 -2,-0.2 0.856 97.3 62.0 -67.9 -33.1 -46.7 9.6 -39.4 32 63 A E H 3< S+ 0 0 164 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.723 113.4 38.0 -58.9 -22.5 -48.4 6.5 -41.0 33 64 A R H <4 S+ 0 0 181 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.776 131.2 24.5 -96.8 -35.2 -47.9 5.0 -37.5 34 65 A Y H < S- 0 0 62 -4,-2.1 3,-0.2 1,-0.3 -3,-0.2 0.511 108.9-105.5-111.0 -11.3 -48.6 8.0 -35.2 35 66 A G < - 0 0 25 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 -0.378 48.1 -58.7 102.6 175.6 -50.9 10.3 -37.3 36 67 A P S S+ 0 0 57 0, 0.0 15,-3.0 0, 0.0 2,-0.5 0.588 123.1 54.4 -75.5 -14.3 -50.3 13.6 -39.2 37 68 A V E S+ C 0 50A 4 -3,-0.2 2,-0.3 13,-0.2 13,-0.2 -0.964 75.0 144.9-123.5 112.9 -49.2 15.5 -36.1 38 69 A F E - C 0 49A 0 11,-1.6 11,-3.4 -2,-0.5 2,-0.4 -0.956 44.2-112.5-148.4 160.8 -46.3 14.0 -34.2 39 70 A T E + C 0 48A 4 -35,-1.4 2,-0.3 -2,-0.3 9,-0.2 -0.775 31.2 179.4-100.1 138.2 -43.2 14.7 -32.1 40 71 A I E - C 0 47A 0 7,-2.9 7,-3.3 -2,-0.4 2,-0.6 -0.966 23.0-139.9-134.4 154.4 -39.7 13.9 -33.3 41 72 A H E - C 0 46A 43 -2,-0.3 -27,-3.2 5,-0.2 2,-1.5 -0.927 7.7-166.8-118.5 104.1 -36.3 14.4 -31.8 42 73 A L E > S-BC 13 45A 2 3,-2.9 3,-1.9 -2,-0.6 -29,-0.2 -0.731 76.0 -59.5 -88.8 87.2 -33.7 15.4 -34.3 43 74 A G T 3 S- 0 0 1 -2,-1.5 -29,-0.2 -31,-0.9 -31,-0.2 -0.536 120.3 -19.2 59.0-131.7 -30.9 14.7 -31.9 44 75 A P T 3 S+ 0 0 44 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 0.546 117.2 105.4 -79.4 -7.2 -31.6 17.0 -29.0 45 76 A R E < -C 42 0A 22 -3,-1.9 -3,-2.9 146,-0.3 2,-0.5 -0.663 61.8-153.0 -75.3 105.3 -33.9 19.2 -31.2 46 77 A R E +C 41 0A 73 -2,-0.8 313,-0.8 -5,-0.2 2,-0.4 -0.695 21.4 178.2 -80.9 122.6 -37.5 18.4 -30.3 47 78 A V E -Cd 40 359A 0 -7,-3.3 -7,-2.9 -2,-0.5 2,-0.5 -0.983 27.7-140.7-130.3 136.7 -39.7 19.2 -33.3 48 79 A V E -Cd 39 360A 0 311,-2.8 313,-2.2 -2,-0.4 2,-0.5 -0.871 25.6-147.6 -94.2 126.2 -43.5 18.8 -33.9 49 80 A V E -Cd 38 361A 0 -11,-3.4 -11,-1.6 -2,-0.5 2,-0.6 -0.847 7.0-157.8-105.0 125.9 -44.1 17.5 -37.5 50 81 A L E -Cd 37 362A 0 311,-2.6 313,-2.4 -2,-0.5 2,-0.4 -0.897 13.9-173.9-107.1 118.2 -47.2 18.5 -39.5 51 82 A C > + 0 0 8 -15,-3.0 4,-0.6 -2,-0.6 313,-0.1 -0.899 42.4 14.7-118.1 139.5 -48.2 16.2 -42.3 52 83 A G H > S- 0 0 16 311,-0.5 4,-1.9 -2,-0.4 315,-0.3 0.207 89.4 -77.2 84.9 155.0 -50.9 16.6 -45.0 53 84 A H H > S+ 0 0 15 313,-0.4 4,-2.7 1,-0.2 5,-0.3 0.888 125.1 53.2 -49.9 -52.5 -52.9 19.6 -46.1 54 85 A D H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 110.5 44.8 -56.3 -51.8 -55.3 19.7 -43.1 55 86 A A H X S+ 0 0 2 -4,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.904 116.6 46.0 -58.6 -43.6 -52.6 19.7 -40.4 56 87 A V H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.929 115.2 43.9 -71.1 -47.8 -50.5 22.3 -42.1 57 88 A R H X>S+ 0 0 61 -4,-2.7 4,-2.6 -5,-0.2 5,-1.9 0.933 112.5 53.2 -62.4 -45.8 -53.3 24.8 -43.0 58 89 A E H <>S+ 0 0 61 -4,-2.3 5,-0.8 -5,-0.3 -1,-0.2 0.881 118.6 36.4 -57.2 -41.5 -54.9 24.4 -39.5 59 90 A A H X5S+ 0 0 0 -4,-1.8 4,-0.9 -5,-0.2 8,-0.4 0.991 125.1 35.0 -70.7 -65.5 -51.6 25.3 -37.9 60 91 A L H <5S+ 0 0 0 -4,-2.7 345,-0.6 -5,-0.2 -3,-0.2 0.668 134.8 19.2 -73.5 -23.8 -50.1 27.9 -40.2 61 92 A V T ><5S+ 0 0 56 -4,-2.6 3,-1.6 -5,-0.3 -3,-0.2 0.784 126.3 43.6-109.2 -55.5 -53.3 29.7 -41.3 62 93 A D T 344 S+ 0 0 111 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.911 110.4 51.0 -71.3 -45.0 -50.3 34.0 -35.1 66 97 A E T 34 S+ 0 0 68 1,-0.3 278,-2.7 -3,-0.2 279,-0.4 0.844 116.1 42.8 -62.4 -33.4 -49.5 31.1 -32.7 67 98 A F T 3< S+ 0 0 0 -4,-1.8 275,-0.3 -8,-0.4 -1,-0.3 0.216 84.8 101.7 -97.9 15.2 -47.4 29.4 -35.4 68 99 A S < + 0 0 13 -3,-1.4 -1,-0.2 -5,-0.2 275,-0.1 0.315 50.7 113.3 -88.0 6.6 -45.7 32.5 -36.8 69 100 A G E -E 342 0A 0 273,-1.5 273,-1.3 -3,-0.3 2,-0.5 -0.461 66.1-126.9 -71.1 151.6 -42.4 31.9 -35.0 70 101 A R E -E 341 0A 16 271,-0.3 271,-0.3 -2,-0.1 270,-0.1 -0.907 25.5-163.5-100.1 128.0 -39.3 31.1 -37.2 71 102 A G - 0 0 7 269,-2.8 2,-0.3 -2,-0.5 271,-0.1 0.064 25.8 -78.3 -87.8-157.2 -37.4 28.0 -36.2 72 103 A E - 0 0 55 269,-0.2 268,-0.4 118,-0.0 2,-0.3 -0.718 19.3-169.8-110.1 157.2 -33.8 26.9 -37.2 73 104 A Q > - 0 0 7 -2,-0.3 4,-2.7 266,-0.1 3,-0.3 -0.854 25.9-150.5-135.9 104.8 -32.0 25.5 -40.2 74 105 A A H > S+ 0 0 3 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.779 88.1 51.9 -54.9 -36.8 -28.6 24.7 -38.6 75 106 A T H >> S+ 0 0 0 2,-0.2 3,-0.7 1,-0.2 4,-0.6 0.958 114.3 40.5 -66.1 -51.8 -26.5 25.1 -41.8 76 107 A F H >> S+ 0 0 12 -3,-0.3 4,-2.5 1,-0.2 3,-1.4 0.908 108.2 65.1 -65.6 -35.4 -27.9 28.6 -42.7 77 108 A D H 3X S+ 0 0 56 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.818 87.2 70.2 -49.5 -38.3 -27.7 29.5 -39.0 78 109 A W H << S+ 0 0 65 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.865 115.0 24.4 -51.0 -40.4 -23.9 29.1 -39.2 79 110 A V H << S+ 0 0 0 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.874 128.6 41.8 -90.4 -44.0 -23.8 32.3 -41.3 80 111 A F H >< S- 0 0 4 -4,-2.5 3,-1.9 2,-0.1 -3,-0.2 0.875 73.7-166.6 -78.1 -40.3 -27.0 34.2 -40.3 81 112 A K T 3< S- 0 0 118 -4,-1.8 3,-0.1 1,-0.3 -4,-0.1 0.776 76.7 -50.8 58.4 34.4 -27.0 33.6 -36.5 82 113 A G T 3 S+ 0 0 23 1,-0.3 -1,-0.3 6,-0.1 2,-0.3 0.441 115.9 118.0 82.5 0.5 -30.6 34.8 -36.2 83 114 A Y < + 0 0 72 -3,-1.9 4,-0.4 -6,-0.1 -1,-0.3 -0.706 47.7 47.7 -96.0 152.4 -29.9 38.0 -38.1 84 115 A G S > S- 0 0 0 -2,-0.3 4,-0.9 1,-0.1 179,-0.1 -0.124 96.2 -79.7 97.6 159.3 -31.6 38.8 -41.4 85 116 A V T 4 S+ 0 0 6 174,-0.3 3,-0.3 1,-0.2 12,-0.1 0.878 122.6 56.1 -62.7 -39.4 -35.3 38.7 -42.3 86 117 A V T 4 S+ 0 0 40 1,-0.2 -1,-0.2 176,-0.2 -2,-0.1 0.948 117.4 30.0 -64.3 -51.1 -35.4 34.9 -42.9 87 118 A F T 4 S+ 0 0 16 -4,-0.4 -1,-0.2 -11,-0.1 -2,-0.2 0.432 97.2 112.7 -94.2 4.9 -34.2 33.8 -39.5 88 119 A S < - 0 0 1 -4,-0.9 2,-0.3 -3,-0.3 -18,-0.1 -0.272 43.8-167.6 -73.6 158.7 -35.5 36.7 -37.4 89 120 A N >> - 0 0 54 -7,-0.2 4,-1.3 -20,-0.1 3,-0.9 -0.881 47.8 -3.7-135.6 167.6 -38.2 36.6 -34.8 90 121 A G H 3> S- 0 0 36 -2,-0.3 4,-2.4 1,-0.2 3,-0.2 -0.107 128.1 -3.4 56.1-139.4 -40.3 39.1 -32.8 91 122 A E H 3> S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.851 135.2 56.4 -52.9 -43.1 -39.6 42.8 -33.4 92 123 A R H <> S+ 0 0 58 -3,-0.9 4,-2.3 1,-0.2 5,-0.3 0.939 110.4 44.4 -56.2 -49.3 -36.7 42.0 -35.7 93 124 A A H X S+ 0 0 8 -4,-1.3 4,-2.4 2,-0.2 5,-0.4 0.916 111.4 53.3 -60.0 -48.7 -39.0 40.0 -37.9 94 125 A K H X S+ 0 0 138 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.943 114.8 40.0 -51.4 -56.7 -41.7 42.6 -37.9 95 126 A Q H X S+ 0 0 60 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.911 118.2 43.9 -62.7 -50.9 -39.4 45.4 -39.0 96 127 A L H X S+ 0 0 0 -4,-2.3 4,-3.3 -5,-0.2 5,-0.2 0.888 115.1 46.6 -70.0 -43.0 -37.3 43.6 -41.6 97 128 A R H X S+ 0 0 48 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.956 114.7 48.3 -61.5 -52.1 -40.1 41.7 -43.4 98 129 A R H X S+ 0 0 188 -4,-1.9 4,-1.8 -5,-0.4 -2,-0.2 0.931 116.8 43.4 -49.8 -51.6 -42.2 44.9 -43.5 99 130 A F H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.955 113.0 50.7 -60.9 -54.0 -39.2 46.9 -44.8 100 131 A S H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.880 110.4 49.3 -52.5 -47.1 -38.1 44.2 -47.3 101 132 A I H X S+ 0 0 41 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.911 114.1 45.3 -61.2 -47.1 -41.6 43.8 -48.8 102 133 A A H X S+ 0 0 40 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.894 113.2 48.0 -63.8 -46.4 -42.0 47.6 -49.3 103 134 A T H X S+ 0 0 5 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.830 110.4 54.2 -67.5 -33.4 -38.5 48.2 -50.8 104 135 A L H <>S+ 0 0 11 -4,-2.0 5,-2.2 -5,-0.3 3,-0.5 0.928 110.5 44.4 -63.6 -49.9 -39.0 45.3 -53.2 105 136 A R H ><5S+ 0 0 141 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.930 109.1 58.7 -59.1 -43.8 -42.3 46.7 -54.5 106 137 A D H 3<5S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.742 104.4 51.8 -57.4 -27.8 -40.5 50.2 -54.7 107 138 A F T 3<5S- 0 0 37 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 -0.016 134.5 -84.5-100.6 27.2 -37.9 48.6 -57.1 108 139 A G T X 5S+ 0 0 11 -3,-2.0 3,-2.4 1,-0.2 6,-1.3 0.219 72.9 153.9 101.8 -12.7 -40.6 47.2 -59.4 109 140 A V T 3 S- 0 0 110 -3,-2.4 4,-1.4 -6,-0.1 3,-0.6 -0.724 95.4 -93.0-125.2 172.6 -45.2 45.7 -61.3 112 143 A R H 3> S+ 0 0 128 -2,-0.2 4,-2.3 1,-0.2 3,-0.5 0.912 116.1 66.0 -45.7 -50.3 -44.5 46.6 -64.9 113 144 A G H 3> S+ 0 0 33 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.806 106.3 36.1 -45.0 -49.9 -40.9 47.6 -64.0 114 145 A I H <> S+ 0 0 0 -6,-1.3 4,-2.4 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-2,-0.2 2,-0.2 1,-0.1 -78,-0.1 0.727 66.0 -6.4 -89.3 -27.2 -30.1 52.9 -56.6 235 266 A D S > S- 0 0 1 -80,-0.1 4,-2.0 -79,-0.1 -80,-0.3 -0.874 84.9 -73.8-157.3 179.2 -31.0 49.5 -55.0 236 267 A F H > S+ 0 0 0 -82,-2.8 4,-1.9 -2,-0.2 -81,-0.2 0.883 125.0 54.9 -54.2 -44.8 -32.2 47.6 -51.9 237 268 A I H > S+ 0 0 0 -82,-1.2 4,-2.8 1,-0.2 -1,-0.2 0.934 107.5 49.7 -54.9 -49.8 -28.8 48.1 -50.1 238 269 A D H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.915 109.0 50.6 -58.2 -49.7 -29.1 51.9 -50.6 239 270 A S H X S+ 0 0 19 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.864 113.4 46.9 -54.9 -40.3 -32.7 52.1 -49.2 240 271 A F H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.918 111.2 50.1 -69.0 -47.8 -31.5 50.0 -46.1 241 272 A L H X S+ 0 0 5 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.849 108.4 54.7 -56.7 -39.4 -28.4 52.2 -45.6 242 273 A I H X S+ 0 0 23 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.890 109.3 46.3 -60.9 -44.4 -30.6 55.3 -45.8 243 274 A R H X S+ 0 0 87 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.834 106.0 60.3 -67.4 -35.2 -32.9 53.9 -43.0 244 275 A M H < S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 107.0 46.2 -60.1 -38.2 -29.8 53.0 -40.9 245 276 A Q H >< S+ 0 0 89 -4,-1.4 3,-1.3 1,-0.2 4,-0.3 0.914 109.7 53.2 -68.7 -44.9 -28.8 56.7 -41.0 246 277 A E H 3< S+ 0 0 129 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.707 116.0 41.8 -60.4 -19.9 -32.4 57.8 -40.0 247 278 A E T >< S+ 0 0 53 -4,-1.1 3,-1.7 1,-0.1 -1,-0.2 0.238 76.3 111.8-116.6 7.8 -32.2 55.4 -37.1 248 279 A E T < S+ 0 0 141 -3,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.831 82.3 47.8 -52.3 -37.5 -28.7 56.0 -35.8 249 280 A K T 3 S+ 0 0 196 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.408 90.5 89.1 -92.0 2.9 -30.0 57.6 -32.6 250 281 A N X - 0 0 61 -3,-1.7 3,-1.3 1,-0.1 -3,-0.0 -0.888 61.0-166.9 -93.6 107.8 -32.6 54.9 -31.9 251 282 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.667 84.9 52.9 -74.6 -13.7 -30.5 52.4 -29.8 252 283 A N T 3 S+ 0 0 81 -3,-0.1 -3,-0.0 3,-0.0 2,-0.0 0.062 82.6 137.0-103.8 21.1 -33.2 49.6 -30.1 253 284 A T < - 0 0 21 -3,-1.3 -161,-0.1 -6,-0.2 -9,-0.0 -0.317 49.4-154.5 -68.2 148.0 -33.2 49.8 -33.9 254 285 A E S S+ 0 0 31 1,-0.1 2,-1.3 -163,-0.1 5,-0.2 0.536 76.5 92.9 -92.7 -10.7 -33.3 46.7 -36.1 255 286 A F + 0 0 7 -12,-0.1 2,-0.3 -8,-0.1 -8,-0.1 -0.683 56.6 118.2 -90.4 89.0 -31.7 48.8 -38.9 256 287 A Y S >> S- 0 0 68 -2,-1.3 4,-1.4 1,-0.0 3,-0.8 -0.941 76.4 -85.6-144.9 165.5 -27.9 48.2 -38.5 257 288 A L H >> S+ 0 0 88 -2,-0.3 4,-2.4 1,-0.2 3,-0.6 0.795 119.0 51.3 -43.6 -53.7 -25.1 46.7 -40.6 258 289 A K H 3> S+ 0 0 62 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.874 110.9 48.4 -60.7 -38.9 -25.5 43.0 -39.7 259 290 A N H <> S+ 0 0 0 -3,-0.8 4,-1.7 2,-0.2 -174,-0.3 0.782 110.9 53.8 -68.3 -26.3 -29.2 42.9 -40.5 260 291 A L H X S+ 0 0 14 -4,-3.0 4,-2.3 2,-0.2 3,-1.2 0.956 121.6 38.8 -75.4 -55.2 -29.8 33.6 -52.2 270 301 A A H 3X S+ 0 0 59 -4,-3.0 4,-0.8 -5,-0.3 5,-0.4 0.887 115.3 55.9 -64.0 -37.3 -33.5 32.8 -52.1 271 302 A G H 3< S+ 0 0 16 -4,-2.0 -120,-0.4 -5,-0.3 -1,-0.2 0.487 118.3 33.0 -72.2 -4.1 -34.0 35.0 -55.2 272 303 A T H <> S+ 0 0 0 -3,-1.2 4,-1.4 -4,-0.1 -2,-0.2 0.763 114.6 44.3-110.2 -57.7 -31.5 32.9 -57.1 273 304 A E H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -3,-0.1 0.801 107.4 51.0 -72.4 -34.0 -31.4 29.2 -56.2 274 305 A T H X S+ 0 0 42 -4,-0.8 4,-2.4 -5,-0.3 -1,-0.2 0.921 113.4 41.1 -76.6 -47.8 -35.1 28.2 -55.9 275 306 A V H > S+ 0 0 10 -5,-0.4 4,-2.8 2,-0.2 5,-0.2 0.893 116.5 53.8 -61.8 -41.0 -36.5 29.4 -59.3 276 307 A S H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.925 110.5 44.7 -58.7 -47.8 -33.2 28.1 -60.8 277 308 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.916 113.4 51.2 -62.8 -44.9 -33.8 24.7 -59.3 278 309 A T H X S+ 0 0 6 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.884 112.8 45.4 -58.4 -45.2 -37.4 24.7 -60.4 279 310 A L H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.956 112.2 50.3 -64.5 -51.9 -36.5 25.7 -64.0 280 311 A R H X S+ 0 0 12 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.911 116.1 43.4 -50.3 -46.3 -33.7 23.1 -64.1 281 312 A Y H X S+ 0 0 4 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.893 109.3 58.6 -69.2 -41.9 -36.2 20.5 -62.9 282 313 A G H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.890 105.2 48.0 -50.4 -48.3 -39.0 21.7 -65.2 283 314 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.845 108.7 54.1 -70.3 -33.4 -37.1 21.2 -68.4 284 315 A L H X S+ 0 0 8 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.889 110.1 47.5 -65.2 -41.1 -36.1 17.6 -67.3 285 316 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.914 109.1 54.7 -62.5 -43.3 -39.8 16.8 -66.8 286 317 A L H < S+ 0 0 2 -4,-2.1 7,-0.5 1,-0.2 -2,-0.2 0.827 109.2 46.6 -64.1 -34.8 -40.6 18.3 -70.2 287 318 A M H < S+ 0 0 8 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.783 110.2 53.7 -73.0 -33.5 -38.1 16.1 -71.9 288 319 A K H < S+ 0 0 57 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.810 115.1 43.7 -66.2 -30.4 -39.5 13.1 -69.9 289 320 A H >X + 0 0 51 -4,-1.8 3,-2.0 1,-0.1 4,-1.6 -0.609 64.3 172.2-120.1 73.2 -43.0 14.0 -71.2 290 321 A P H 3> S+ 0 0 62 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.777 80.8 57.7 -49.6 -35.7 -42.7 14.9 -75.0 291 322 A E H 3> S+ 0 0 161 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.736 104.3 50.7 -69.3 -27.0 -46.6 15.1 -75.2 292 323 A V H <> S+ 0 0 12 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R H <5S+ 0 0 144 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.812 124.5 31.5 -78.1 -32.7 -51.7 30.1 -80.9 303 334 A V H <5S+ 0 0 33 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.856 137.0 14.3 -96.3 -42.3 -51.8 32.7 -78.1 304 335 A I T <5S- 0 0 13 -4,-2.8 3,-0.3 -5,-0.3 2,-0.2 0.807 87.1-157.5-102.7 -40.9 -48.4 34.6 -78.4 305 336 A G < - 0 0 21 -5,-1.9 -1,-0.2 1,-0.2 -2,-0.1 -0.594 37.3 -76.4 88.9-155.8 -47.1 33.7 -81.8 306 337 A K S S+ 0 0 111 -2,-0.2 -1,-0.2 -5,-0.1 -5,-0.1 0.431 113.4 70.8-119.4 -5.6 -43.4 33.9 -82.7 307 338 A N S S+ 0 0 168 -3,-0.3 2,-0.3 2,-0.1 -2,-0.1 0.362 92.1 49.9-105.4 2.3 -43.0 37.7 -83.2 308 339 A R S S- 0 0 92 -4,-0.1 3,-0.0 3,-0.0 -4,-0.0 -0.978 82.5-102.1-140.8 153.9 -43.3 39.1 -79.7 309 340 A Q - 0 0 94 -2,-0.3 -2,-0.1 1,-0.1 -190,-0.1 -0.551 46.3-109.4 -69.4 134.1 -41.8 38.6 -76.2 310 341 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.363 38.2-159.1 -60.6 142.7 -44.2 36.7 -73.9 311 342 A K > - 0 0 73 1,-0.1 3,-2.1 -3,-0.0 4,-0.3 -0.895 29.5-104.2-127.3 162.3 -45.6 38.9 -71.1 312 343 A F G > S+ 0 0 40 -2,-0.3 3,-1.6 1,-0.3 4,-0.2 0.808 114.6 59.5 -52.9 -39.8 -47.2 38.2 -67.7 313 344 A E G > S+ 0 0 130 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.609 84.2 78.6 -68.0 -14.3 -50.8 38.8 -68.8 314 345 A D G X S+ 0 0 9 -3,-2.1 3,-0.7 1,-0.2 -1,-0.3 0.697 77.1 81.9 -63.3 -19.8 -50.6 36.0 -71.4 315 346 A R G X S+ 0 0 84 -3,-1.6 3,-1.6 -4,-0.3 7,-0.3 0.857 81.7 57.6 -46.1 -49.6 -51.1 33.9 -68.3 316 347 A A G < S+ 0 0 91 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.779 110.6 41.2 -63.3 -32.9 -54.9 34.3 -68.3 317 348 A K G < S+ 0 0 154 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.177 105.6 72.5-100.5 15.1 -55.3 32.9 -71.9 318 349 A M <> + 0 0 0 -3,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.516 48.3 155.8-127.1 65.9 -52.8 30.1 -71.2 319 350 A P H > S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 74,-0.1 0.841 75.6 52.6 -61.1 -33.3 -54.5 27.6 -68.8 320 351 A Y H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.928 109.5 46.0 -69.8 -46.3 -52.2 24.7 -69.9 321 352 A M H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.919 113.0 50.8 -60.8 -46.2 -48.9 26.5 -69.4 322 353 A E H X S+ 0 0 29 -4,-2.1 4,-2.2 -7,-0.3 -1,-0.2 0.906 112.1 47.9 -55.1 -44.6 -50.1 27.7 -66.0 323 354 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.874 111.2 51.4 -64.3 -39.7 -51.1 24.1 -65.2 324 355 A V H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.928 110.9 45.9 -63.5 -46.0 -47.7 22.9 -66.4 325 356 A I H X S+ 0 0 9 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.915 113.5 50.4 -65.4 -42.0 -45.7 25.3 -64.2 326 357 A H H X S+ 0 0 9 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.944 111.2 48.1 -57.6 -49.1 -47.9 24.5 -61.2 327 358 A E H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.851 109.8 52.6 -62.4 -36.4 -47.4 20.7 -61.7 328 359 A I H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.943 113.6 43.7 -63.4 -46.5 -43.6 21.3 -62.1 329 360 A Q H X S+ 0 0 14 -4,-2.5 4,-1.2 2,-0.2 5,-0.3 0.817 117.1 47.0 -64.9 -36.0 -43.7 23.2 -58.7 330 361 A R H < S+ 0 0 0 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.950 119.7 37.6 -70.5 -51.6 -45.9 20.5 -57.2 331 362 A F H < S+ 0 0 37 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.861 116.5 52.4 -66.0 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19.1 -23.6 657 224 B S H 3X + 0 0 20 -4,-1.1 4,-2.4 1,-0.3 5,-0.3 0.827 67.4 68.7 -55.8 -35.9 -22.0 20.6 -22.2 658 225 B S H 34 S+ 0 0 30 -3,-0.2 -1,-0.3 1,-0.2 -464,-0.1 0.804 117.9 23.4 -55.0 -30.9 -23.5 20.7 -25.7 659 226 B V H X4 S+ 0 0 25 -3,-1.8 3,-1.8 -465,-0.1 4,-0.5 0.861 121.4 54.4 -96.5 -54.1 -23.6 16.9 -25.6 660 227 B M H >< S+ 0 0 15 -4,-2.7 3,-0.5 1,-0.3 -3,-0.2 0.700 93.6 69.7 -58.9 -26.2 -23.6 16.1 -21.8 661 228 B K T 3< S+ 0 0 72 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.848 105.9 42.9 -61.6 -27.4 -26.6 18.2 -21.0 662 229 B H T < S+ 0 0 68 -3,-1.8 -651,-0.3 -5,-0.3 -1,-0.2 0.591 102.7 82.1 -93.6 -12.6 -28.7 15.6 -22.9 663 230 B L S < S- 0 0 20 -3,-0.5 5,-0.2 -4,-0.5 281,-0.1 -0.605 83.7-108.1 -92.8 151.4 -27.0 12.5 -21.4 664 231 B P + 0 0 30 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.366 67.5 91.6 -72.9 162.3 -27.7 10.8 -18.1 665 232 B G S >> S- 0 0 5 1,-0.1 3,-1.4 282,-0.1 4,-0.9 -0.864 91.3 -44.4 140.5-178.2 -25.1 11.2 -15.3 666 233 B P H 3> S+ 0 0 23 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.829 123.6 68.8 -59.1 -33.6 -24.1 13.3 -12.3 667 234 B Q H 3> S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 97.0 54.5 -42.6 -47.6 -24.7 16.5 -14.4 668 235 B Q H <> S+ 0 0 62 -3,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.914 105.7 48.9 -63.0 -46.5 -28.4 15.6 -14.3 669 236 B Q H X S+ 0 0 103 -4,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.899 111.5 51.9 -59.5 -38.7 -28.6 15.4 -10.5 670 237 B A H X S+ 0 0 4 -4,-2.2 4,-1.8 1,-0.2 3,-0.3 0.920 107.4 51.5 -63.4 -44.3 -26.8 18.8 -10.3 671 238 B F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.837 106.1 56.2 -57.4 -36.3 -29.4 20.4 -12.7 672 239 B Q H X S+ 0 0 118 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.852 104.3 52.2 -68.0 -33.3 -32.1 19.1 -10.5 673 240 B L H X S+ 0 0 31 -4,-1.5 4,-1.6 -3,-0.3 -2,-0.2 0.923 111.5 46.8 -65.8 -43.7 -30.6 20.9 -7.5 674 241 B L H X S+ 0 0 0 -4,-1.8 4,-3.3 2,-0.2 -2,-0.2 0.924 110.2 51.7 -63.2 -47.7 -30.6 24.2 -9.6 675 242 B Q H X S+ 0 0 57 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.926 108.0 54.4 -53.1 -45.9 -34.2 23.6 -10.8 676 243 B G H X S+ 0 0 17 -4,-2.2 4,-1.6 2,-0.2 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1,-0.2 -2,-0.2 0.907 110.2 50.8 -58.2 -45.1 -45.3 34.8 -6.8 687 254 B H H < S+ 0 0 83 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.914 111.8 47.8 -56.4 -46.7 -46.1 35.1 -3.0 688 255 B N H >< S+ 0 0 5 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.886 112.9 46.2 -64.8 -41.9 -44.5 38.6 -2.9 689 256 B Q H >< S+ 0 0 88 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.753 106.0 60.4 -73.5 -24.7 -46.3 39.9 -6.0 690 257 B R T 3< S+ 0 0 178 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.605 121.4 25.1 -74.3 -13.8 -49.7 38.5 -4.7 691 258 B T T < S+ 0 0 73 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.083 90.8 158.0-138.4 21.7 -49.3 40.7 -1.6 692 259 B L < - 0 0 31 -3,-0.5 -3,-0.1 1,-0.1 3,-0.1 -0.128 33.2-154.7 -62.5 145.7 -47.1 43.6 -2.9 693 260 B D > - 0 0 47 3,-0.2 3,-2.3 1,-0.1 -1,-0.1 -0.879 8.4-166.8-120.6 90.4 -47.0 47.0 -1.2 694 261 B P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.641 87.3 44.0 -59.4 -20.8 -45.9 49.3 -4.1 695 262 B N T 3 S+ 0 0 165 1,-0.2 -3,-0.0 -3,-0.1 11,-0.0 0.413 118.3 44.1-100.3 -1.1 -45.1 52.2 -1.7 696 263 B S S < S- 0 0 74 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-17.8 42.1 18.2 775 342 B K > - 0 0 77 -3,-0.1 3,-1.3 1,-0.1 4,-0.4 -0.891 29.2-105.8-124.8 159.9 -18.8 45.0 16.0 776 343 B F G > S+ 0 0 46 -2,-0.3 3,-1.9 1,-0.3 4,-0.2 0.864 115.6 58.5 -57.9 -41.4 -17.4 45.8 12.5 777 344 B E G > S+ 0 0 136 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.746 84.7 80.7 -64.6 -20.9 -15.2 48.8 13.5 778 345 B D G X S+ 0 0 5 -3,-1.3 3,-1.6 1,-0.3 -1,-0.3 0.815 78.2 75.4 -48.1 -32.1 -13.3 46.4 15.9 779 346 B R G X S+ 0 0 64 -3,-1.9 3,-1.9 -4,-0.4 -1,-0.3 0.833 84.0 61.4 -45.5 -45.0 -11.5 45.4 12.7 780 347 B A G < S+ 0 0 93 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.699 107.7 43.2 -63.0 -23.7 -9.5 48.6 12.7 781 348 B K G < S+ 0 0 144 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.237 105.9 71.6-102.7 11.2 -7.9 47.7 16.1 782 349 B M <> + 0 0 0 -3,-1.9 4,-1.8 1,-0.1 -1,-0.2 -0.541 45.0 155.4-131.4 68.5 -7.3 44.1 15.1 783 350 B P H > S+ 0 0 40 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.831 76.7 55.6 -66.1 -31.4 -4.5 43.7 12.4 784 351 B Y H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.956 108.5 46.1 -67.2 -47.0 -3.8 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3<5S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.747 105.8 51.8 -60.4 -26.4 -3.4 -24.4 7.5 1035 138 C F T <<5S- 0 0 37 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.197 132.7 -81.5-103.4 15.3 -3.1 -21.0 9.1 1036 139 C G T X 5S+ 0 0 5 -3,-1.4 3,-2.2 1,-0.3 6,-1.5 0.274 74.1 148.5 113.1 -9.4 -6.2 -21.3 11.4 1037 140 C V T 3 S- 0 0 109 -3,-2.2 4,-1.8 1,-0.0 -1,-0.3 -0.750 96.0 -98.3-130.9 174.3 -10.3 -23.3 13.7 1040 143 C R H > S+ 0 0 108 -2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.825 113.1 74.9 -62.3 -34.9 -9.3 -22.0 17.2 1041 144 C G H > S+ 0 0 38 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.929 108.8 27.2 -38.1 -61.9 -6.1 -20.7 15.6 1042 145 C I H > S+ 0 0 0 -6,-1.5 4,-3.0 -3,-0.3 -1,-0.2 0.798 114.2 65.3 -78.8 -29.9 -7.9 -17.8 13.9 1043 146 C E H X S+ 0 0 17 -4,-1.8 4,-2.9 -7,-0.4 -2,-0.2 0.924 104.8 46.3 -56.0 -45.4 -10.7 -17.6 16.5 1044 147 C E H X S+ 0 0 110 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.905 111.2 52.1 -61.7 -44.5 -8.0 -16.6 19.0 1045 148 C R H X S+ 0 0 84 -4,-1.2 4,-2.4 -5,-0.3 -2,-0.2 0.921 112.9 44.3 -57.4 -48.5 -6.6 -14.1 16.6 1046 149 C I H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.931 112.3 52.6 -62.5 -49.3 -10.0 -12.5 16.0 1047 150 C Q H X S+ 0 0 35 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.896 111.7 46.3 -50.3 -47.8 -10.8 -12.5 19.8 1048 151 C E H X S+ 0 0 117 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.937 113.5 46.7 -65.8 -49.0 -7.5 -10.7 20.5 1049 152 C E H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.876 109.6 55.2 -62.2 -38.2 -8.0 -8.1 17.7 1050 153 C A H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.878 106.5 51.9 -58.6 -38.9 -11.6 -7.6 18.9 1051 154 C G H X S+ 0 0 13 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.861 106.3 52.7 -65.0 -38.4 -10.2 -6.9 22.4 1052 155 C F H X S+ 0 0 68 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.832 108.0 52.6 -65.1 -34.2 -7.8 -4.3 20.8 1053 156 C L H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.884 105.8 52.7 -68.4 -41.4 -10.9 -2.7 19.2 1054 157 C I H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.964 108.7 51.2 -57.0 -50.6 -12.7 -2.5 22.6 1055 158 C D H X S+ 0 0 100 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.933 110.2 49.3 -49.0 -52.0 -9.5 -0.7 24.0 1056 159 C A H X S+ 0 0 22 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.909 113.8 45.0 -55.5 -46.1 -9.6 1.8 21.0 1057 160 C L H <>S+ 0 0 1 -4,-2.5 5,-0.6 2,-0.2 3,-0.3 0.761 110.9 53.7 -73.9 -26.7 -13.4 2.5 21.6 1058 161 C R H ><5S+ 0 0 112 -4,-2.5 3,-2.5 -5,-0.2 -2,-0.2 0.948 102.8 59.9 -61.8 -52.2 -12.9 2.8 25.4 1059 162 C G H 3<5S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.611 90.7 67.6 -55.1 -19.6 -10.2 5.4 24.7 1060 163 C T T ><5S- 0 0 29 -4,-0.5 3,-2.0 -3,-0.3 -1,-0.3 0.595 95.6-140.3 -77.2 -12.2 -12.6 7.7 22.9 1061 164 C G T < 5 - 0 0 73 -3,-2.5 -2,-0.1 1,-0.3 -3,-0.1 0.772 68.1 -54.6 59.2 29.1 -14.4 8.3 26.2 1062 165 C G T 3 + 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.688 62.0 100.8 -71.0 -16.6 -15.9 4.5 13.0 1068 171 C T H > S+ 0 0 15 316,-0.3 4,-2.4 1,-0.2 5,-0.1 0.790 89.8 27.7 -37.5 -65.0 -14.4 3.8 9.5 1069 172 C F H > S+ 0 0 51 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.726 115.0 62.4 -81.6 -22.1 -10.8 3.1 10.3 1070 173 C F H > S+ 0 0 47 -4,-0.4 4,-1.2 -3,-0.4 -2,-0.2 0.975 113.7 37.9 -56.0 -53.4 -11.4 1.9 13.8 1071 174 C L H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.933 117.5 47.6 -62.4 -52.3 -13.3 -0.9 12.2 1072 175 C S H X S+ 0 0 3 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.831 107.6 55.4 -68.3 -34.5 -11.1 -1.5 9.1 1073 176 C R H X S+ 0 0 48 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.895 111.3 46.9 -57.4 -43.5 -7.8 -1.6 11.1 1074 177 C T H < S+ 0 0 1 -4,-1.2 4,-0.4 -5,-0.2 -2,-0.2 0.951 115.2 43.1 -68.1 -51.5 -9.3 -4.4 13.2 1075 178 C V H >X S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 4,-1.0 0.940 112.2 54.0 -57.3 -50.8 -10.7 -6.4 10.3 1076 179 C S H 3X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.820 97.9 64.3 -57.2 -35.6 -7.5 -6.0 8.3 1077 180 C N H 3X S+ 0 0 0 -4,-1.5 4,-0.9 1,-0.2 -1,-0.3 0.633 97.4 57.2 -67.7 -14.8 -5.2 -7.3 11.1 1078 181 C V H <> S+ 0 0 0 -3,-1.7 4,-1.3 -4,-0.4 -1,-0.2 0.943 113.3 35.6 -80.3 -54.8 -6.8 -10.7 10.9 1079 182 C I H X S+ 0 0 5 -4,-1.0 4,-3.1 120,-0.3 5,-0.3 0.879 114.4 60.9 -65.8 -34.6 -6.1 -11.4 7.2 1080 183 C S H X>S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 6,-0.7 0.868 101.2 52.5 -57.4 -38.0 -2.8 -9.6 7.7 1081 184 C S H X5S+ 0 0 13 -4,-0.9 4,-0.9 4,-0.2 -1,-0.2 0.887 114.1 44.1 -66.1 -38.0 -1.7 -12.1 10.3 1082 185 C I H <5S+ 0 0 0 -4,-1.3 82,-2.1 2,-0.1 -2,-0.2 0.958 124.3 30.8 -69.2 -56.0 -2.5 -14.9 7.8 1083 186 C V H <5S+ 0 0 0 -4,-3.1 82,-1.2 80,-0.2 83,-0.2 0.874 132.5 29.9 -76.6 -36.5 -0.9 -13.4 4.7 1084 187 C F H <5S- 0 0 14 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.1 0.591 101.8-116.8-103.8 -14.1 2.0 -11.4 6.2 1085 188 C G S < - 0 0 100 -2,-0.4 3,-1.8 1,-0.1 6,-0.2 -0.531 24.8-125.9 -63.6 133.6 0.6 -1.8 14.8 1090 193 C Y T 3 S+ 0 0 46 1,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.685 110.3 55.2 -55.2 -19.2 -2.3 0.8 14.9 1091 194 C K T 3 S+ 0 0 179 4,-0.0 2,-0.4 5,-0.0 -1,-0.3 0.538 74.6 117.0 -95.3 -11.8 0.3 3.5 14.7 1092 195 C D <> - 0 0 63 -3,-1.8 4,-1.5 1,-0.2 3,-0.2 -0.465 52.4-157.9 -62.2 115.9 2.0 2.3 11.5 1093 196 C K H > S+ 0 0 159 -2,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.780 92.4 57.0 -71.9 -27.0 1.5 5.1 8.9 1094 197 C E H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.843 103.6 55.8 -67.0 -35.4 2.0 2.7 6.0 1095 198 C F H > S+ 0 0 2 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.931 108.4 46.5 -60.6 -49.0 -0.9 0.6 7.4 1096 199 C L H X S+ 0 0 58 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.868 111.7 50.6 -62.3 -39.8 -3.2 3.6 7.4 1097 200 C S H X S+ 0 0 39 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.918 109.0 52.0 -67.7 -40.6 -2.2 4.5 3.8 1098 201 C L H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.915 109.5 49.7 -54.2 -47.0 -2.8 0.8 2.7 1099 202 C L H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.818 110.1 51.3 -63.5 -33.7 -6.3 1.1 4.3 1100 203 C R H X S+ 0 0 127 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.876 106.6 53.9 -65.9 -42.1 -6.9 4.4 2.4 1101 204 C M H X S+ 0 0 35 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.892 112.5 43.9 -60.8 -41.7 -5.9 2.7 -0.9 1102 205 C M H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.916 114.6 48.4 -70.0 -46.4 -8.4 -0.0 -0.4 1103 206 C L H X S+ 0 0 26 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.910 113.7 47.0 -60.3 -46.3 -11.2 2.3 0.8 1104 207 C G H X S+ 0 0 22 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.939 115.1 42.5 -63.7 -50.4 -10.6 4.7 -2.2 1105 208 C S H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.900 113.9 51.8 -66.9 -41.9 -10.5 2.1 -5.0 1106 209 C F H < S+ 0 0 7 -4,-2.2 272,-0.3 -5,-0.2 -1,-0.2 0.931 113.4 46.1 -53.8 -50.4 -13.4 0.2 -3.5 1107 210 C Q H >< S+ 0 0 48 -4,-2.2 3,-2.1 -5,-0.2 4,-0.3 0.915 106.9 58.2 -58.6 -49.1 -15.4 3.5 -3.4 1108 211 C F H >< S+ 0 0 19 -4,-2.9 3,-1.6 1,-0.3 6,-0.7 0.879 101.2 55.2 -51.1 -44.3 -14.3 4.4 -7.0 1109 212 C T T 3< S+ 0 0 0 -4,-1.9 268,-2.3 1,-0.3 -1,-0.3 0.508 106.6 53.2 -68.9 -6.0 -15.9 1.2 -8.5 1110 213 C S T < S+ 0 0 1 -3,-2.1 265,-0.6 266,-0.3 -1,-0.3 0.330 94.1 86.9-112.4 4.0 -19.2 2.2 -6.9 1111 214 C T S <> S- 0 0 32 -3,-1.6 4,-2.0 -4,-0.3 5,-0.2 -0.559 91.5-106.9 -93.7 164.9 -19.3 5.7 -8.4 1112 215 C S H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.873 121.3 51.8 -57.1 -40.5 -20.8 6.6 -11.8 1113 216 C T H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 109.3 50.2 -66.2 -41.9 -17.3 7.2 -13.3 1114 217 C G H > S+ 0 0 0 -6,-0.7 4,-1.0 2,-0.2 -1,-0.2 0.870 113.5 46.1 -58.4 -38.9 -16.2 3.7 -12.0 1115 218 C Q H X S+ 0 0 3 -4,-2.0 4,-0.5 -167,-0.2 -2,-0.2 0.789 109.1 53.5 -80.6 -25.7 -19.3 2.2 -13.6 1116 219 C L H >X S+ 0 0 41 -4,-2.2 4,-2.3 1,-0.2 3,-0.9 0.844 103.5 60.3 -66.9 -36.1 -18.7 4.2 -16.8 1117 220 C Y H 3X S+ 0 0 4 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.846 94.3 61.7 -59.9 -36.1 -15.2 2.6 -16.7 1118 221 C E H 3< S+ 0 0 1 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.807 112.8 38.1 -61.6 -26.9 -16.8 -0.9 -16.8 1119 222 C M H << S+ 0 0 4 -3,-0.9 -146,-0.3 -4,-0.5 -2,-0.2 0.876 130.3 24.6 -87.8 -43.1 -18.2 0.2 -20.3 1120 223 C F H >X S+ 0 0 24 -4,-2.3 4,-3.1 1,-0.2 3,-1.6 0.052 73.3 127.2-120.9 24.6 -15.3 2.2 -21.8 1121 224 C S H 3X + 0 0 17 -4,-1.4 4,-3.8 1,-0.3 5,-0.4 0.872 68.1 66.4 -46.2 -48.3 -12.1 1.0 -20.1 1122 225 C S H 34 S+ 0 0 26 1,-0.2 -1,-0.3 2,-0.2 464,-0.1 0.716 117.8 26.2 -53.7 -27.2 -10.3 0.3 -23.4 1123 226 C V H X4 S+ 0 0 27 -3,-1.6 3,-1.3 -6,-0.1 4,-0.3 0.798 122.1 54.9 -94.4 -47.7 -10.4 4.0 -24.1 1124 227 C M H >< S+ 0 0 18 -4,-3.1 3,-1.5 1,-0.3 -2,-0.2 0.780 92.8 67.3 -63.3 -32.2 -10.5 5.2 -20.5 1125 228 C K T 3< S+ 0 0 91 -4,-3.8 -1,-0.3 1,-0.3 -3,-0.1 0.820 106.0 46.1 -58.9 -26.3 -7.4 3.4 -19.2 1126 229 C H T < S+ 0 0 68 -3,-1.3 -1,-0.3 -5,-0.4 277,-0.2 0.480 100.0 85.8 -93.5 -5.5 -5.4 5.7 -21.5 1127 230 C L S < S- 0 0 18 -3,-1.5 5,-0.3 -4,-0.3 2,-0.1 -0.733 79.0-115.7-100.4 145.8 -7.1 9.0 -20.5 1128 231 C P + 0 0 36 0, 0.0 -644,-0.2 0, 0.0 3,-0.1 -0.390 67.0 82.1 -71.1 158.5 -6.3 11.3 -17.6 1129 232 C G S >> S- 0 0 4 1,-0.1 3,-0.9 -646,-0.1 4,-0.8 -0.889 93.0 -32.9 139.6-172.6 -9.0 11.6 -14.9 1130 233 C P H >> S+ 0 0 22 0, 0.0 4,-1.8 0, 0.0 3,-0.7 0.833 124.2 62.8 -50.1 -43.3 -10.4 10.0 -11.7 1131 234 C Q H 3> S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.894 97.0 59.2 -50.1 -46.1 -9.7 6.4 -13.0 1132 235 C Q H <> S+ 0 0 56 -3,-0.9 4,-1.7 -5,-0.3 -1,-0.2 0.864 104.7 48.9 -55.8 -40.8 -6.0 7.2 -13.0 1133 236 C Q H < S+ 0 0 96 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.864 108.4 53.0 -72.3 -36.9 12.1 -14.7 -0.1 1154 257 C R H 3< S+ 0 0 187 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.808 122.4 29.4 -61.4 -35.7 15.2 -13.1 1.4 1155 258 C T T 3< S+ 0 0 71 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.059 89.8 147.8-122.2 31.6 14.5 -14.7 4.8 1156 259 C L < - 0 0 31 -3,-0.8 -3,-0.1 5,-0.0 3,-0.1 -0.435 33.6-161.7 -78.1 138.9 12.7 -17.9 3.8 1157 260 C D > - 0 0 81 3,-0.3 3,-2.5 -2,-0.2 13,-0.1 -0.907 7.5-158.2-116.7 99.7 12.8 -21.2 5.7 1158 261 C P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.683 93.3 48.9 -48.2 -23.9 11.6 -23.9 3.4 1159 262 C N T 3 S+ 0 0 152 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.516 115.2 41.0 -97.3 -8.3 10.7 -26.1 6.4 1160 263 C S S < S- 0 0 66 -3,-2.5 -3,-0.3 6,-0.0 2,-0.3 -0.659 70.0-161.5-144.1 83.6 8.8 -23.5 8.4 1161 264 C P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.508 2.4-166.2 -68.3 127.4 6.3 -21.2 6.5 1162 265 C R - 0 0 95 -2,-0.3 2,-0.3 1,-0.1 -78,-0.0 0.586 66.7 -13.0 -86.0 -13.7 5.5 -18.1 8.6 1163 266 C D S > S- 0 0 2 -79,-0.1 4,-2.1 1,-0.1 -80,-0.2 -0.949 86.2 -69.0-169.3-179.5 2.5 -17.1 6.5 1164 267 C F H > S+ 0 0 0 -82,-2.1 4,-2.4 -2,-0.3 5,-0.2 0.876 125.3 55.5 -54.1 -44.9 0.5 -17.5 3.2 1165 268 C I H > S+ 0 0 0 -82,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.909 107.7 48.4 -56.9 -48.3 3.4 -15.9 1.2 1166 269 C D H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 109.4 51.8 -58.5 -51.9 5.9 -18.4 2.5 1167 270 C S H X S+ 0 0 19 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.929 113.8 44.4 -52.8 -49.6 3.7 -21.4 1.7 1168 271 C F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.879 112.2 53.1 -59.0 -41.9 3.3 -20.1 -1.9 1169 272 C L H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.843 106.3 52.9 -65.8 -35.1 7.0 -19.4 -2.1 1170 273 C I H X S+ 0 0 25 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.936 111.8 44.7 -63.6 -48.1 7.9 -22.9 -1.1 1171 274 C R H X S+ 0 0 70 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.861 112.1 55.5 -62.0 -37.6 5.6 -24.3 -3.8 1172 275 C M H < S+ 0 0 28 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.937 107.7 46.1 -58.6 -53.7 7.2 -21.7 -6.2 1173 276 C Q H >< S+ 0 0 92 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.912 111.3 53.5 -54.9 -47.7 10.8 -22.9 -5.5 1174 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