==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-AUG-08 3E6I . COMPND 2 MOLECULE: CYTOCHROME P450 2E1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.R.PORUBSKY,K.M.MENEELY,E.E.SCOTT . 923 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 638 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 33 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 376 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 0 0 0 2 2 2 0 4 0 6 0 2 0 3 1 0 0 0 0 0 2 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 31 A K 0 0 186 0, 0.0 351,-2.0 0, 0.0 349,-0.0 0.000 360.0 360.0 360.0 90.9 -6.0 -32.5 2.9 2 32 A L - 0 0 51 349,-0.2 351,-0.1 1,-0.1 37,-0.1 -0.280 360.0 -89.1 -65.4 150.9 -6.0 -29.9 0.2 3 33 A P - 0 0 6 0, 0.0 36,-0.2 0, 0.0 35,-0.2 -0.222 59.8 -87.9 -52.0 152.3 -8.4 -26.9 0.3 4 34 A P + 0 0 51 0, 0.0 35,-2.1 0, 0.0 30,-0.1 -0.203 63.5 143.9 -65.6 159.4 -11.7 -27.7 -1.6 5 35 A G - 0 0 23 33,-0.2 35,-0.1 -3,-0.1 2,-0.1 -0.982 47.9 -57.2-180.0 172.3 -11.9 -27.1 -5.4 6 36 A P - 0 0 6 0, 0.0 35,-0.1 0, 0.0 8,-0.0 -0.403 61.9 -97.0 -72.0 146.8 -13.2 -28.2 -8.8 7 37 A F - 0 0 190 -2,-0.1 2,-0.0 1,-0.1 33,-0.0 -0.459 45.9-132.9 -68.9 119.4 -12.4 -31.7 -10.1 8 38 A P - 0 0 63 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.336 10.8-136.1 -76.9 156.3 -9.4 -31.3 -12.4 9 39 A L B > -A 13 0A 90 4,-1.7 4,-1.6 32,-0.2 6,-0.1 -0.722 36.9 -80.8-103.2 156.1 -9.1 -32.9 -15.9 10 40 A P T 4 S- 0 0 112 0, 0.0 2,-2.5 0, 0.0 -1,-0.1 -0.311 104.9 -10.4 -53.2 138.6 -6.0 -34.7 -17.3 11 41 A I T 4 S+ 0 0 127 1,-0.2 0, 0.0 -3,-0.0 0, 0.0 -0.291 139.0 50.3 69.6 -53.5 -3.2 -32.4 -18.7 12 42 A I T >4 S- 0 0 47 -2,-2.5 3,-1.5 1,-0.2 31,-0.9 0.445 82.3-172.0 -92.0 -6.0 -5.3 -29.2 -18.5 13 43 A G B 3< S-AB 9 42A 4 -4,-1.6 -4,-1.7 1,-0.2 3,-0.3 -0.226 70.0 -7.0 47.4-120.9 -6.4 -29.6 -14.9 14 44 A N T > S+ 0 0 2 27,-3.8 3,-2.3 -6,-0.2 4,-0.3 0.045 89.0 127.2 -93.1 24.5 -9.0 -26.8 -14.2 15 45 A L G X S+ 0 0 36 -3,-1.5 3,-0.8 1,-0.3 -1,-0.2 0.723 70.8 58.5 -62.5 -25.0 -8.8 -24.8 -17.5 16 46 A F G 3 S+ 0 0 170 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.656 99.7 59.5 -72.7 -19.7 -12.6 -25.0 -18.1 17 47 A Q G < S+ 0 0 43 -3,-2.3 2,-0.4 -11,-0.0 -1,-0.2 0.457 99.7 76.9 -81.9 -4.8 -13.1 -23.3 -14.7 18 48 A L < - 0 0 19 -3,-0.8 2,-0.7 -4,-0.3 5,-0.1 -0.929 63.3-155.2-120.6 129.4 -11.1 -20.3 -16.0 19 49 A E > - 0 0 84 -2,-0.4 3,-1.4 3,-0.4 7,-0.3 -0.912 15.5-157.7 -92.6 112.8 -11.9 -17.4 -18.3 20 50 A L T 3 S+ 0 0 45 -2,-0.7 3,-0.4 1,-0.3 -1,-0.1 0.748 91.0 56.4 -69.2 -26.5 -8.4 -16.4 -19.6 21 51 A K T 3 S+ 0 0 120 1,-0.2 425,-0.7 2,-0.1 -1,-0.3 0.630 124.6 23.7 -71.4 -17.3 -9.5 -12.9 -20.6 22 52 A N <> + 0 0 34 -3,-1.4 4,-1.6 1,-0.1 -3,-0.4 -0.459 62.8 160.1-153.7 71.1 -10.6 -12.4 -16.9 23 53 A I H > S+ 0 0 15 -3,-0.4 4,-2.7 423,-0.4 3,-0.3 0.930 79.1 58.9 -60.4 -48.8 -8.9 -14.7 -14.3 24 54 A P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.894 107.0 49.0 -49.8 -36.7 -9.8 -12.4 -11.4 25 55 A K H > S+ 0 0 115 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.854 109.3 50.9 -70.4 -37.4 -13.5 -12.9 -12.3 26 56 A S H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.931 109.7 52.0 -62.8 -46.2 -13.1 -16.7 -12.5 27 57 A F H X S+ 0 0 9 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.896 110.4 47.0 -51.5 -52.2 -11.4 -16.6 -9.0 28 58 A T H X S+ 0 0 44 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.903 111.6 51.9 -58.0 -42.5 -14.3 -14.6 -7.5 29 59 A R H X S+ 0 0 108 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.897 111.4 47.4 -60.6 -42.8 -16.7 -17.1 -9.2 30 60 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.855 106.2 57.0 -70.3 -36.9 -14.8 -20.0 -7.6 31 61 A A H X S+ 0 0 12 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.822 103.8 53.9 -63.2 -32.8 -14.8 -18.4 -4.2 32 62 A Q H < S+ 0 0 155 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.852 115.8 40.7 -63.5 -36.0 -18.6 -18.2 -4.2 33 63 A R H < S+ 0 0 149 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.798 133.3 17.0 -82.3 -35.2 -18.7 -22.0 -5.0 34 64 A F H < S- 0 0 56 -4,-2.1 3,-0.3 1,-0.3 -3,-0.2 0.320 104.1-115.7-129.3 0.5 -15.9 -23.2 -2.6 35 65 A G < - 0 0 25 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.283 54.4 -37.6 88.0-171.0 -15.3 -20.5 -0.1 36 66 A P S S+ 0 0 62 0, 0.0 15,-2.9 0, 0.0 2,-0.4 0.516 124.7 42.2 -70.4 -16.1 -12.3 -18.2 0.8 37 67 A V E S+ C 0 50A 5 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.989 73.6 160.5-136.9 120.8 -9.5 -20.7 0.2 38 68 A F E - C 0 49A 0 11,-2.0 11,-2.4 -2,-0.4 2,-0.4 -0.966 33.1-121.3-144.2 158.9 -9.6 -23.1 -2.7 39 69 A T E + C 0 48A 6 -35,-2.1 2,-0.3 -2,-0.3 9,-0.2 -0.834 26.7 176.8-104.5 141.3 -7.4 -25.4 -4.9 40 70 A L E - C 0 47A 0 7,-2.6 7,-2.6 -2,-0.4 2,-0.6 -0.976 21.4-148.3-135.6 145.3 -6.9 -25.1 -8.7 41 71 A Y E - C 0 46A 56 -2,-0.3 -27,-3.8 5,-0.2 2,-0.9 -0.942 13.5-174.9-115.9 108.3 -4.8 -27.1 -11.2 42 72 A V E > S-BC 13 45A 9 3,-2.2 3,-0.9 -2,-0.6 2,-0.3 -0.870 74.3 -37.4-107.2 103.1 -3.7 -24.8 -14.0 43 73 A G T 3 S- 0 0 4 -31,-0.9 -29,-0.2 -2,-0.9 148,-0.1 -0.661 121.2 -37.1 70.3-135.2 -2.0 -27.2 -16.3 44 74 A S T 3 S+ 0 0 116 146,-0.4 -1,-0.2 -2,-0.3 2,-0.2 0.692 117.6 102.8 -88.2 -19.4 -0.2 -29.7 -14.0 45 75 A Q E < -C 42 0A 83 -3,-0.9 -3,-2.2 145,-0.3 2,-0.4 -0.455 65.4-138.8 -77.0 132.3 0.7 -26.9 -11.5 46 76 A R E +C 41 0A 82 -2,-0.2 312,-2.2 -5,-0.2 2,-0.3 -0.695 23.2 178.5 -90.7 133.5 -1.2 -26.7 -8.3 47 77 A M E -Cd 40 358A 23 -7,-2.6 -7,-2.6 -2,-0.4 2,-0.5 -0.984 19.8-150.1-130.6 149.7 -2.2 -23.4 -6.8 48 78 A V E -Cd 39 359A 0 310,-2.7 312,-2.8 -2,-0.3 2,-0.5 -0.979 17.0-154.0-113.0 129.6 -4.2 -22.3 -3.8 49 79 A V E -Cd 38 360A 0 -11,-2.4 -11,-2.0 -2,-0.5 2,-0.5 -0.892 3.7-157.9-104.7 128.8 -6.2 -19.1 -4.1 50 80 A M E -Cd 37 361A 2 310,-2.9 312,-1.8 -2,-0.5 2,-0.4 -0.948 14.1-171.8-100.6 133.1 -7.1 -16.9 -1.1 51 81 A H + 0 0 29 -15,-2.9 4,-0.3 -2,-0.5 3,-0.1 -0.988 45.2 25.7-131.7 124.9 -10.1 -14.6 -1.7 52 82 A G S > S- 0 0 18 -2,-0.4 4,-3.0 310,-0.3 5,-0.3 0.093 90.1 -79.5 99.2 148.0 -11.3 -11.9 0.7 53 83 A Y H > S+ 0 0 42 312,-0.4 4,-2.9 1,-0.2 5,-0.2 0.844 123.9 49.5 -46.7 -49.8 -9.5 -9.7 3.4 54 84 A K H > S+ 0 0 136 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.971 118.2 37.6 -60.8 -56.7 -9.5 -12.4 6.2 55 85 A A H > S+ 0 0 2 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.928 120.8 46.1 -59.9 -47.6 -8.0 -15.2 4.1 56 86 A V H X S+ 0 0 5 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.908 113.9 50.4 -63.6 -40.5 -5.7 -12.9 2.1 57 87 A K H X>S+ 0 0 83 -4,-2.9 4,-2.2 -5,-0.3 5,-0.5 0.930 111.2 46.8 -63.2 -48.6 -4.6 -11.2 5.4 58 88 A E H X>S+ 0 0 37 -4,-2.7 4,-2.6 -5,-0.2 5,-1.7 0.948 113.4 49.6 -55.2 -53.9 -3.8 -14.5 7.2 59 89 A A H <5S+ 0 0 1 -4,-2.3 8,-0.3 1,-0.2 -1,-0.2 0.864 119.9 35.5 -54.5 -43.3 -1.9 -15.9 4.2 60 90 A L H <5S+ 0 0 7 -4,-2.0 344,-0.5 -5,-0.2 -1,-0.2 0.718 133.1 23.6 -87.0 -24.9 0.3 -12.7 3.8 61 91 A L H <5S+ 0 0 49 -4,-2.2 3,-0.4 -5,-0.2 -3,-0.2 0.728 124.9 40.4-117.0 -29.9 0.7 -11.8 7.5 62 92 A D T <4 S+ 0 0 96 -3,-0.2 3,-0.7 1,-0.2 -1,-0.2 0.733 113.1 60.7 -80.4 -23.5 7.7 -17.1 6.0 66 96 A E T 34 S+ 0 0 66 1,-0.2 277,-2.6 -3,-0.2 278,-0.7 0.844 116.6 29.1 -71.0 -36.0 5.6 -20.0 4.8 67 97 A F T 3< S+ 0 0 4 -4,-1.9 -1,-0.2 -8,-0.3 275,-0.2 -0.128 84.7 112.9-114.0 30.8 4.3 -18.2 1.6 68 98 A S < + 0 0 11 -3,-0.7 -1,-0.1 272,-0.1 274,-0.1 0.441 53.2 103.7 -93.8 4.7 7.3 -15.9 1.1 69 99 A G E -E 341 0A 2 272,-1.5 272,-0.7 -3,-0.2 2,-0.4 -0.224 67.9-128.2 -70.0 168.6 8.2 -17.7 -2.1 70 100 A R E -E 340 0A 16 270,-0.3 270,-0.3 272,-0.1 18,-0.1 -0.993 19.1-125.5-130.1 122.0 7.5 -16.4 -5.6 71 101 A G - 0 0 2 268,-1.0 270,-0.1 -2,-0.4 2,-0.1 -0.327 36.0 -95.0 -68.0 147.6 5.8 -18.4 -8.3 72 102 A D - 0 0 58 268,-0.1 -1,-0.1 -2,-0.1 5,-0.1 -0.331 30.8-169.0 -65.8 141.2 7.4 -18.9 -11.6 73 103 A L > - 0 0 14 13,-0.2 3,-1.9 3,-0.1 7,-0.1 -0.843 6.3-162.6-135.1 92.8 6.6 -16.6 -14.5 74 104 A P G > S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.717 84.8 64.3 -47.9 -38.0 8.0 -18.2 -17.7 75 105 A A G 3 S+ 0 0 2 1,-0.3 3,-0.3 110,-0.1 134,-0.2 0.801 108.2 44.2 -59.2 -32.3 7.9 -14.9 -19.7 76 106 A F G X> S+ 0 0 4 -3,-1.9 3,-1.8 1,-0.2 4,-0.9 -0.215 71.2 128.1-104.7 37.5 10.4 -13.5 -17.3 77 107 A H G X4 + 0 0 84 -3,-1.7 3,-0.5 1,-0.3 -1,-0.2 0.854 66.0 69.5 -62.1 -31.0 12.7 -16.6 -17.2 78 108 A A G 34 S+ 0 0 38 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.639 109.4 35.2 -54.6 -19.1 15.6 -14.2 -18.0 79 109 A H G X4 S+ 0 0 5 -3,-1.8 3,-2.4 7,-0.0 -1,-0.2 0.520 85.9 132.8-108.4 -16.8 15.0 -12.8 -14.4 80 110 A R T << S- 0 0 39 -4,-0.9 7,-0.3 -3,-0.5 3,-0.1 -0.143 82.0 -1.1 -51.2 120.2 14.1 -16.0 -12.6 81 111 A D T 3 S+ 0 0 70 5,-1.8 2,-0.3 1,-0.3 -1,-0.3 0.463 114.6 95.6 78.4 9.3 16.0 -16.4 -9.3 82 112 A R S < S- 0 0 58 -3,-2.4 4,-0.4 4,-0.1 -1,-0.3 -0.865 81.8 -3.3-119.0 157.3 17.9 -13.3 -9.7 83 113 A G S S- 0 0 0 -2,-0.3 13,-0.2 175,-0.2 12,-0.2 -0.405 98.3 -69.0 68.7-132.5 17.2 -9.8 -8.3 84 114 A I S > S+ 0 0 14 177,-0.2 3,-0.7 -2,-0.2 -1,-0.1 0.706 113.3 55.9-128.5 -45.1 13.9 -9.4 -6.4 85 115 A I T 3 S+ 0 0 27 1,-0.2 -2,-0.1 177,-0.1 -5,-0.1 0.925 118.1 27.8 -61.4 -49.9 10.7 -9.6 -8.4 86 116 A F T 3 S+ 0 0 7 -4,-0.4 -5,-1.8 -7,-0.2 2,-0.6 0.120 93.1 112.3-108.3 22.3 11.1 -13.0 -10.0 87 117 A N < + 0 0 0 -3,-0.7 -7,-0.1 -7,-0.3 -16,-0.1 -0.875 28.8 170.5-116.7 128.6 13.3 -14.9 -7.5 88 118 A N + 0 0 46 -2,-0.6 -1,-0.1 -18,-0.1 -19,-0.1 -0.244 57.2 100.5-110.6 30.0 12.4 -17.9 -5.4 89 119 A G S > S- 0 0 20 -20,-0.0 3,-2.2 1,-0.0 4,-0.4 -0.632 89.0 -91.3-122.8 178.9 16.0 -18.6 -4.3 90 120 A P T 3 S+ 0 0 123 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.683 118.0 63.9 -66.4 -15.2 18.4 -18.1 -1.5 91 121 A T T 3> S+ 0 0 31 -10,-0.2 4,-1.2 1,-0.2 5,-0.2 0.609 81.6 80.4 -84.8 -11.7 19.5 -14.9 -2.9 92 122 A W H <> S+ 0 0 27 -3,-2.2 4,-2.7 1,-0.2 5,-0.2 0.943 84.0 57.1 -63.9 -49.9 16.2 -13.1 -2.6 93 123 A K H > S+ 0 0 119 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.833 112.3 34.0 -55.8 -49.4 16.3 -12.1 1.1 94 124 A D H > S+ 0 0 65 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.766 116.5 54.5 -86.1 -27.0 19.5 -10.0 1.3 95 125 A I H X S+ 0 0 2 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.936 113.3 44.4 -65.6 -46.8 19.3 -8.5 -2.2 96 126 A R H X S+ 0 0 28 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.978 114.8 48.3 -57.2 -56.3 15.8 -7.3 -1.3 97 127 A R H X S+ 0 0 132 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.867 113.9 46.3 -55.0 -42.2 16.9 -6.1 2.2 98 128 A F H X S+ 0 0 44 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.910 111.0 51.6 -67.8 -45.0 19.9 -4.2 0.7 99 129 A S H X S+ 0 0 2 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.860 110.0 50.7 -57.3 -39.2 17.9 -2.6 -2.1 100 130 A L H X S+ 0 0 58 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.892 109.5 48.7 -70.5 -41.1 15.3 -1.3 0.4 101 131 A T H X S+ 0 0 55 -4,-1.8 4,-3.1 -5,-0.2 -2,-0.2 0.912 115.0 46.2 -61.9 -44.0 17.9 0.2 2.6 102 132 A T H X S+ 0 0 6 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.926 111.9 50.5 -66.3 -46.7 19.5 1.9 -0.4 103 133 A L H < S+ 0 0 20 -4,-3.1 3,-0.3 2,-0.2 4,-0.3 0.951 114.8 44.2 -53.3 -50.7 16.1 3.0 -1.7 104 134 A R H >< S+ 0 0 149 -4,-2.8 3,-1.9 1,-0.2 6,-0.3 0.916 109.5 54.9 -62.5 -44.7 15.3 4.5 1.7 105 135 A N H 3< S+ 0 0 85 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.806 106.2 54.7 -57.8 -29.7 18.8 6.1 2.0 106 136 A Y T 3< 0 0 47 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.478 360.0 360.0 -81.7 -6.3 18.1 7.8 -1.4 107 137 A G < 0 0 8 -3,-1.9 3,-1.6 -4,-0.3 -3,-0.1 -0.684 360.0 360.0-175.9 360.0 14.9 9.3 0.0 108 ! 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 0.0 109 139 A G 0 0 101 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.0 11.6 10.8 4.8 110 140 A K - 0 0 128 -3,-1.6 -5,-0.0 -6,-0.3 -3,-0.0 0.663 360.0-130.7 -56.6 -22.5 15.0 12.1 3.6 111 141 A Q S > S+ 0 0 98 1,-0.0 4,-1.8 4,-0.0 5,-0.2 0.350 88.4 102.6 76.1 -3.6 13.4 14.8 1.3 112 142 A G H > S+ 0 0 13 2,-0.2 4,-1.3 3,-0.2 -5,-0.2 0.757 83.3 48.2 -68.5 -28.7 15.7 13.6 -1.5 113 143 A N H > S+ 0 0 14 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.926 113.0 44.2 -77.3 -48.8 12.6 11.7 -2.8 114 144 A E H > S+ 0 0 11 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.952 116.3 47.0 -57.5 -54.0 10.2 14.7 -2.6 115 145 A S H X S+ 0 0 51 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.909 112.1 51.7 -54.2 -46.3 12.7 17.1 -4.1 116 146 A R H X S+ 0 0 42 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.866 114.3 42.3 -58.4 -43.0 13.4 14.5 -6.8 117 147 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 3,-0.3 0.922 112.6 54.3 -70.3 -47.6 9.7 14.2 -7.6 118 148 A Q H X S+ 0 0 40 -4,-3.7 4,-0.6 1,-0.2 -2,-0.2 0.815 108.7 48.8 -55.0 -38.2 9.2 18.0 -7.3 119 149 A R H X S+ 0 0 134 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.782 108.7 51.8 -78.8 -26.7 12.0 18.6 -9.9 120 150 A E H X S+ 0 0 8 -4,-1.1 4,-3.0 -3,-0.3 3,-0.4 0.871 99.6 64.5 -70.8 -38.3 10.6 16.1 -12.3 121 151 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.829 95.5 61.0 -51.3 -31.2 7.2 17.9 -12.0 122 152 A H H X S+ 0 0 86 -4,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.951 110.5 37.8 -58.8 -49.8 9.1 20.8 -13.6 123 153 A F H X S+ 0 0 56 -4,-0.8 4,-2.0 -3,-0.4 -2,-0.2 0.852 116.3 51.9 -72.7 -36.5 9.8 18.7 -16.7 124 154 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 5,-0.2 0.967 110.1 48.4 -62.8 -50.3 6.4 17.1 -16.7 125 155 A L H X S+ 0 0 14 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.850 110.5 53.0 -58.7 -34.3 4.6 20.4 -16.4 126 156 A E H X S+ 0 0 82 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.940 107.9 49.7 -64.3 -50.4 6.8 21.8 -19.4 127 157 A A H < S+ 0 0 13 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.839 111.9 48.4 -56.9 -39.2 5.9 18.9 -21.7 128 158 A L H >< S+ 0 0 2 -4,-1.8 3,-0.8 2,-0.2 5,-0.4 0.863 111.3 48.3 -72.9 -40.9 2.1 19.3 -21.0 129 159 A R H >< S+ 0 0 92 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.886 105.0 64.0 -60.3 -38.5 2.3 23.1 -21.6 130 160 A K T 3< S+ 0 0 133 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.579 90.3 63.1 -65.4 -14.1 4.2 22.1 -24.8 131 161 A T T X S- 0 0 30 -3,-0.8 3,-1.8 -4,-0.3 -1,-0.3 0.509 94.8-151.5 -82.9 -7.2 1.2 20.3 -26.2 132 162 A Q T < - 0 0 162 -3,-2.0 -3,-0.1 1,-0.2 -2,-0.1 0.812 58.5 -53.3 28.2 65.5 -0.6 23.7 -26.1 133 163 A G T 3 S+ 0 0 26 326,-0.7 -1,-0.2 -5,-0.4 327,-0.1 0.554 103.8 124.6 62.2 15.2 -4.1 22.5 -25.7 134 164 A Q S < S- 0 0 134 -3,-1.8 325,-0.3 1,-0.1 -1,-0.2 -0.639 71.7 -80.8 -97.2 159.6 -4.2 20.1 -28.6 135 165 A P + 0 0 59 0, 0.0 2,-0.3 0, 0.0 323,-0.2 -0.340 57.4 165.0 -62.5 140.7 -5.2 16.4 -28.4 136 166 A F B -G 457 0B 19 321,-1.9 321,-2.1 -3,-0.0 -5,-0.0 -0.982 43.1-113.7-155.8 148.2 -2.4 14.0 -27.2 137 167 A D > - 0 0 51 -2,-0.3 3,-0.5 319,-0.2 319,-0.2 -0.793 24.9-157.4 -82.9 115.2 -1.9 10.4 -26.0 138 168 A P T >>> + 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-1.8 0.597 69.2 95.4 -72.2 -10.2 -0.7 10.9 -22.4 139 169 A T H 3>5S+ 0 0 14 316,-0.3 4,-0.9 1,-0.3 140,-0.1 0.868 92.2 30.1 -48.2 -55.7 0.9 7.4 -22.3 140 170 A F H <45S+ 0 0 68 -3,-0.5 -1,-0.3 2,-0.1 31,-0.1 -0.015 123.5 50.4-104.5 31.2 4.5 8.4 -23.2 141 171 A L H X>5S+ 0 0 29 -3,-1.8 3,-0.8 3,-0.0 4,-0.6 0.542 113.0 38.7-123.3 -63.4 4.3 11.8 -21.7 142 172 A I H ><5S+ 0 0 2 -4,-2.3 3,-1.0 1,-0.2 -3,-0.2 0.876 113.0 63.0 -49.9 -39.4 3.0 11.2 -18.1 143 173 A G T 3X S+ 0 0 0 -3,-0.8 4,-2.9 1,-0.2 5,-0.3 0.849 91.6 67.3 -55.6 -37.5 8.4 10.0 -18.4 145 175 A A H S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.798 118.0 61.1 -66.5 -27.6 8.2 8.2 -12.8 147 177 A C H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.912 108.3 42.0 -63.1 -46.6 10.6 6.8 -15.4 148 178 A N H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.890 111.0 57.4 -63.5 -38.9 13.1 9.7 -14.8 149 179 A V H X S+ 0 0 2 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.938 112.1 40.2 -60.2 -50.2 12.6 9.6 -11.1 150 180 A I H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.786 111.9 58.2 -68.0 -30.9 13.6 5.9 -10.9 151 181 A A H X>S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.2 6,-1.3 0.904 104.4 52.0 -63.8 -41.0 16.4 6.7 -13.5 152 182 A D H X5S+ 0 0 61 -4,-2.9 4,-1.6 4,-0.2 -2,-0.2 0.979 114.3 41.2 -55.9 -58.8 17.8 9.3 -11.1 153 183 A I H <5S+ 0 0 1 -4,-1.8 82,-2.4 1,-0.2 83,-0.3 0.916 124.9 37.4 -51.7 -49.5 18.0 6.8 -8.1 154 184 A L H <5S+ 0 0 0 -4,-2.4 82,-1.7 80,-0.2 83,-0.3 0.929 136.5 6.5 -74.4 -50.2 19.2 3.9 -10.3 155 185 A F H <5S- 0 0 3 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.460 84.5-117.9-119.5 -6.8 21.6 5.4 -12.8 156 186 A R S < - 0 0 101 -2,-0.4 3,-1.4 1,-0.1 6,-0.1 -0.520 29.3-121.3 -67.4 144.5 14.8 14.3 -22.3 161 191 A Y T 3 S+ 0 0 20 1,-0.2 -1,-0.1 -2,-0.2 -17,-0.1 0.663 113.0 48.0 -63.6 -16.8 11.1 13.6 -23.0 162 192 A N T 3 S+ 0 0 131 4,-0.0 -1,-0.2 5,-0.0 2,-0.1 0.432 83.0 126.1-101.6 -3.3 11.9 13.4 -26.8 163 193 A D <> - 0 0 60 -3,-1.4 4,-2.2 1,-0.1 5,-0.2 -0.317 60.0-132.4 -70.6 140.7 14.9 11.1 -26.5 164 194 A E H > S+ 0 0 155 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.869 101.0 39.3 -64.1 -50.3 14.9 7.8 -28.5 165 195 A K H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.780 113.1 59.3 -75.3 -25.6 16.0 5.1 -26.0 166 196 A F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.997 109.6 41.3 -55.4 -65.9 13.9 6.8 -23.3 167 197 A L H X S+ 0 0 56 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.816 114.8 53.4 -52.6 -37.9 10.7 6.4 -25.4 168 198 A R H X S+ 0 0 90 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.891 107.2 49.1 -67.4 -43.5 11.8 2.9 -26.4 169 199 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 -3,-0.4 -2,-0.2 0.906 113.8 47.3 -61.8 -44.0 12.3 1.6 -22.8 170 200 A M H X S+ 0 0 4 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.879 109.4 54.7 -62.5 -39.8 8.9 3.0 -21.9 171 201 A Y H X S+ 0 0 104 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.900 110.7 45.0 -58.3 -46.6 7.4 1.4 -25.0 172 202 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.864 112.6 49.9 -67.9 -42.6 8.8 -2.0 -23.9 173 203 A F H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.951 115.0 45.8 -56.2 -53.8 7.6 -1.6 -20.3 174 204 A N H X S+ 0 0 33 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.900 112.6 49.6 -55.6 -51.7 4.2 -0.7 -21.6 175 205 A E H X S+ 0 0 37 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.884 112.8 47.3 -56.7 -45.8 4.1 -3.5 -24.1 176 206 A N H X S+ 0 0 3 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.978 112.3 46.5 -62.2 -58.5 5.1 -6.1 -21.5 177 207 A F H < S+ 0 0 6 -4,-2.7 272,-0.4 1,-0.2 4,-0.3 0.908 117.7 48.1 -46.8 -44.8 2.6 -5.0 -18.8 178 208 A H H >< S+ 0 0 48 -4,-2.4 3,-1.0 -5,-0.2 -2,-0.2 0.916 114.1 42.1 -60.7 -53.9 -0.0 -5.0 -21.6 179 209 A L H >< S+ 0 0 25 -4,-3.0 3,-1.9 1,-0.3 6,-0.5 0.846 107.8 60.3 -70.9 -34.3 0.8 -8.4 -23.1 180 210 A L T 3< S+ 0 0 7 -4,-3.0 268,-1.6 1,-0.3 -1,-0.3 0.587 102.5 55.2 -64.0 -12.4 1.1 -10.0 -19.7 181 211 A S T < S+ 0 0 1 -3,-1.0 265,-0.3 266,-0.3 -1,-0.3 0.247 92.6 97.2-103.5 7.6 -2.5 -9.0 -19.1 182 212 A T S <> S- 0 0 14 -3,-1.9 4,-1.7 263,-0.1 5,-0.1 -0.659 82.8-116.4 -99.8 157.7 -3.7 -10.8 -22.3 183 213 A P H > S+ 0 0 31 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.851 110.6 56.2 -63.2 -35.5 -5.2 -14.3 -22.5 184 214 A W H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.923 109.4 47.0 -63.1 -44.6 -2.4 -15.8 -24.7 185 215 A L H > S+ 0 0 4 -6,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.845 108.5 55.6 -63.4 -35.5 0.2 -14.9 -22.1 186 216 A Q H X S+ 0 0 32 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.920 111.5 44.1 -61.5 -41.8 -2.0 -16.2 -19.3 187 217 A L H >X S+ 0 0 37 -4,-2.1 4,-0.8 1,-0.2 3,-0.8 0.893 111.3 55.0 -68.4 -40.5 -2.1 -19.6 -21.1 188 218 A Y H >< S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.892 100.4 58.4 -61.3 -41.2 1.7 -19.4 -21.8 189 219 A N H 3< S+ 0 0 41 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.681 114.6 36.5 -70.1 -15.5 2.6 -19.0 -18.1 190 220 A N H << S+ 0 0 33 -3,-0.8 -146,-0.4 -4,-0.6 -145,-0.3 0.421 127.7 34.9-111.3 -6.6 0.9 -22.3 -17.1 191 221 A F S + 0 0 37 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.811 69.0 52.7 -65.6 -30.9 5.3 -22.9 -21.1 193 223 A S H 4 S+ 0 0 101 1,-0.2 4,-0.3 2,-0.2 -2,-0.0 0.882 113.1 42.6 -72.6 -41.8 6.8 -26.2 -22.2 194 224 A F H 4 S+ 0 0 126 -3,-0.3 -1,-0.2 1,-0.1 -6,-0.1 0.752 129.4 28.2 -64.4 -31.2 4.0 -27.1 -24.8 195 225 A L H >< S+ 0 0 25 -4,-1.5 3,-2.3 -7,-0.2 -2,-0.2 0.685 90.1 91.6-113.0 -27.2 3.8 -23.5 -26.1 196 226 A H T 3< S+ 0 0 52 -4,-2.7 -3,-0.1 1,-0.3 -2,-0.1 0.803 95.2 41.6 -44.2 -42.7 7.2 -21.8 -25.7 197 227 A Y T 3 S+ 0 0 184 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.276 95.2 90.6 -99.9 9.3 8.4 -22.8 -29.2 198 228 A L S < S- 0 0 83 -3,-2.3 5,-0.1 1,-0.1 2,-0.1 -0.535 90.1 -95.2 -83.3 164.2 5.2 -22.1 -31.1 199 229 A P + 0 0 107 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.379 70.0 95.1 -74.8 168.7 4.8 -18.6 -32.5 200 230 A G S >> S- 0 0 37 1,-0.1 3,-1.8 -3,-0.1 4,-0.6 -0.734 82.6 -51.3 139.2 176.4 2.9 -15.9 -30.7 201 231 A S H 3> S+ 0 0 36 1,-0.3 4,-1.8 -2,-0.2 3,-0.2 0.667 115.3 72.4 -60.4 -21.2 3.0 -12.9 -28.3 202 232 A H H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.889 94.6 56.7 -58.9 -37.3 5.0 -14.7 -25.6 203 233 A R H <> S+ 0 0 100 -3,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.834 103.7 52.0 -62.8 -37.0 8.0 -14.4 -28.0 204 234 A K H X S+ 0 0 54 -4,-0.6 4,-2.4 -3,-0.2 -1,-0.2 0.906 109.8 49.1 -65.1 -40.9 7.5 -10.6 -28.1 205 235 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.941 112.6 47.4 -61.7 -50.1 7.5 -10.5 -24.3 206 236 A I H X S+ 0 0 54 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.931 113.8 46.3 -55.9 -51.5 10.7 -12.6 -24.1 207 237 A K H X S+ 0 0 116 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.909 113.7 51.5 -56.0 -45.0 12.5 -10.5 -26.8 208 238 A N H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.903 108.1 49.4 -60.0 -49.2 11.3 -7.4 -24.9 209 239 A V H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.929 111.1 51.0 -55.1 -49.2 12.6 -8.6 -21.5 210 240 A A H X S+ 0 0 52 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.788 108.3 52.6 -59.3 -33.6 16.1 -9.4 -23.1 211 241 A E H X S+ 0 0 56 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.902 111.2 45.0 -70.3 -44.6 16.2 -5.9 -24.7 212 242 A V H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.935 113.6 50.4 -64.6 -48.0 15.6 -4.1 -21.4 213 243 A K H X S+ 0 0 36 -4,-2.5 4,-3.5 1,-0.2 -2,-0.2 0.916 110.3 50.4 -55.2 -45.7 18.1 -6.4 -19.6 214 244 A E H X S+ 0 0 105 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.893 110.0 49.6 -62.6 -41.8 20.7 -5.6 -22.4 215 245 A Y H X S+ 0 0 24 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.909 116.3 42.9 -60.5 -43.5 20.2 -1.9 -22.0 216 246 A V H >X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 3,-0.9 0.974 109.2 57.2 -64.1 -58.8 20.6 -2.2 -18.2 217 247 A S H 3X S+ 0 0 24 -4,-3.5 4,-2.4 1,-0.3 5,-0.2 0.852 107.6 49.5 -33.7 -53.0 23.6 -4.6 -18.5 218 248 A E H 3X S+ 0 0 75 -4,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.820 109.5 49.5 -64.0 -37.7 25.4 -2.0 -20.5 219 249 A R H < S+ 0 0 84 -4,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.979 104.2 58.0 -61.1 -55.5 32.0 -0.7 -13.2 225 255 A Q H 3< S+ 0 0 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0 13 -3,-1.3 -1,-0.1 -4,-0.4 3,-0.1 -0.998 360.0 360.0 146.1 360.0 20.6 45.0 10.8 572 ! 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 0.0 573 140 B K >> 0 0 159 0, 0.0 3,-0.9 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 113.7 22.0 47.4 7.2 574 141 B Q H 3> + 0 0 161 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.510 360.0 79.5 -68.6 -2.7 22.1 50.8 8.9 575 142 B G H 3> S+ 0 0 24 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.851 92.5 41.8 -75.6 -39.1 20.2 49.1 11.8 576 143 B N H <> S+ 0 0 13 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.907 117.0 49.0 -70.4 -45.7 23.2 47.2 13.4 577 144 B E H X S+ 0 0 28 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.924 114.3 45.8 -56.4 -48.3 25.5 50.3 13.1 578 145 B S H X S+ 0 0 69 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.945 112.7 50.8 -59.6 -50.4 22.7 52.5 14.5 579 146 B R H X S+ 0 0 40 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.843 113.8 44.3 -55.1 -41.6 22.1 50.0 17.4 580 147 B I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.896 111.2 52.6 -72.9 -44.4 25.8 49.8 18.3 581 148 B Q H X S+ 0 0 54 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.851 109.2 50.7 -59.3 -40.7 26.4 53.6 18.1 582 149 B R H >X S+ 0 0 146 -4,-2.3 3,-0.9 2,-0.2 4,-0.8 0.922 110.6 48.3 -64.6 -43.3 23.5 54.2 20.5 583 150 B E H >X S+ 0 0 8 -4,-1.5 4,-2.4 1,-0.3 3,-0.8 0.887 100.7 65.4 -65.0 -36.4 24.9 51.6 22.9 584 151 B A H 3X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.3 -1,-0.3 0.774 94.5 61.9 -54.9 -27.6 28.3 53.4 22.6 585 152 B H H < S+ 0 0 5 -4,-2.2 3,-1.3 2,-0.2 5,-0.4 0.930 109.6 49.2 -63.5 -47.2 33.4 54.8 31.4 592 159 B R H >< S+ 0 0 114 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.902 105.4 61.0 -53.5 -43.8 33.2 58.6 32.1 593 160 B K T 3< S+ 0 0 137 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.614 84.1 75.9 -61.2 -19.6 31.5 57.7 35.4 594 161 B T T X S- 0 0 26 -3,-1.3 3,-1.2 -4,-0.5 -1,-0.3 0.733 93.8-140.2 -69.6 -19.4 34.6 55.7 36.7 595 162 B Q T < - 0 0 160 -3,-1.6 -2,-0.1 -4,-0.3 -3,-0.1 0.894 56.8 -67.2 62.3 47.2 36.3 59.1 37.4 596 163 B G T 3 S+ 0 0 20 326,-0.5 -1,-0.3 -5,-0.4 327,-0.1 0.590 105.2 131.2 49.3 14.4 39.7 58.0 36.2 597 164 B Q < - 0 0 125 -3,-1.2 325,-0.3 1,-0.1 -1,-0.2 -0.506 68.2 -83.5 -87.3 161.3 39.8 55.6 39.1 598 165 B P + 0 0 59 0, 0.0 2,-0.3 0, 0.0 323,-0.2 -0.390 55.9 165.9 -71.0 142.9 40.7 51.9 38.9 599 166 B F B -R 920 0G 21 321,-1.8 321,-2.3 -2,-0.1 -5,-0.0 -0.990 43.8-110.6-153.8 150.1 38.0 49.5 37.9 600 167 B D - 0 0 60 -2,-0.3 3,-0.5 319,-0.2 319,-0.2 -0.789 27.8-157.5 -78.6 114.6 37.5 45.9 36.6 601 168 B P >>> + 0 0 1 0, 0.0 4,-2.2 0, 0.0 3,-1.5 0.550 67.8 95.3 -73.1 -6.3 36.3 46.4 33.0 602 169 B T H 3>5S+ 0 0 15 1,-0.3 4,-1.0 316,-0.3 140,-0.1 0.872 91.6 31.0 -56.4 -49.8 34.5 43.0 32.9 603 170 B F H 345S+ 0 0 75 -3,-0.5 -1,-0.3 2,-0.2 31,-0.1 -0.113 122.0 50.8-107.6 34.2 31.0 43.9 33.7 604 171 B L H X>5S+ 0 0 23 -3,-1.5 3,-1.0 3,-0.0 4,-0.6 0.478 114.0 38.6-123.6 -60.8 31.2 47.4 32.2 605 172 B I H ><5S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 -3,-0.2 0.856 112.6 62.0 -51.8 -41.3 32.5 46.6 28.7 606 173 B G T 3X S+ 0 0 0 -3,-1.0 4,-3.3 2,-0.2 -1,-0.2 0.845 92.0 63.8 -63.2 -38.7 27.1 45.6 29.0 608 175 B A H S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.857 119.1 57.1 -64.6 -33.3 27.4 43.7 23.4 610 177 B C H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.902 108.8 45.4 -62.9 -44.2 24.9 42.3 26.0 611 178 B N H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.874 110.7 54.7 -63.1 -36.1 22.6 45.2 25.4 612 179 B V H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.917 111.5 41.9 -67.6 -46.2 22.9 45.0 21.6 613 180 B I H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.882 113.7 55.8 -65.6 -37.7 21.9 41.4 21.5 614 181 B A H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 6,-1.7 0.807 104.5 51.4 -62.9 -34.7 19.2 42.2 24.0 615 182 B D H X S+ 0 0 64 -4,-2.0 4,-0.9 4,-0.2 -1,-0.2 0.904 115.4 43.7 -66.8 -40.0 17.8 44.9 21.8 616 183 B I H < S+ 0 0 3 -4,-1.6 82,-2.2 2,-0.1 83,-0.3 0.871 122.8 35.3 -67.7 -41.0 17.7 42.4 18.9 617 184 B L H < S+ 0 0 0 -4,-2.5 82,-1.7 80,-0.2 83,-0.3 0.913 138.2 8.2 -89.7 -45.3 16.3 39.5 20.9 618 185 B F H < S- 0 0 4 -4,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.333 86.6-120.3-118.4 3.7 13.9 41.1 23.4 619 186 B R S < S+ 0 0 128 -4,-0.9 2,-0.3 -5,-0.4 -4,-0.2 0.700 73.9 138.1 46.7 25.8 13.6 44.8 22.4 620 187 B K - 0 0 87 -6,-1.7 2,-0.4 -9,-0.1 -1,-0.2 -0.761 41.7-164.3-104.6 142.9 14.9 45.2 25.9 621 188 B H - 0 0 79 -2,-0.3 2,-0.3 -3,-0.1 -10,-0.1 -0.990 10.5-153.0-124.4 133.8 17.6 47.6 27.2 622 189 B F - 0 0 13 -2,-0.4 2,-0.1 -15,-0.2 -11,-0.1 -0.810 16.9-120.7-107.4 144.6 19.3 47.3 30.6 623 190 B D > - 0 0 103 -2,-0.3 3,-1.6 1,-0.1 6,-0.1 -0.484 36.5-110.5 -70.1 152.2 20.8 49.8 33.0 624 191 B Y T 3 S+ 0 0 26 1,-0.3 -1,-0.1 -2,-0.1 -17,-0.1 0.605 116.4 36.2 -71.3 -10.1 24.5 49.1 33.6 625 192 B N T 3 S+ 0 0 119 4,-0.0 2,-0.4 5,-0.0 -1,-0.3 0.066 74.8 134.3-130.0 30.7 23.7 48.2 37.3 626 193 B D <> - 0 0 64 -3,-1.6 4,-2.3 1,-0.1 5,-0.2 -0.635 58.4-134.4 -62.3 129.7 20.4 46.4 37.0 627 194 B E H > S+ 0 0 167 -2,-0.4 4,-2.4 1,-0.2 -1,-0.1 0.833 102.6 50.9 -66.5 -31.8 21.0 43.4 39.2 628 195 B K H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 109.3 51.7 -70.2 -38.7 19.4 40.9 36.7 629 196 B F H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.947 113.0 45.5 -56.2 -50.7 21.6 42.4 33.9 630 197 B L H X S+ 0 0 53 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.915 111.2 52.5 -62.6 -45.6 24.7 41.9 36.1 631 198 B R H X S+ 0 0 86 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.876 108.9 49.5 -55.2 -44.3 23.6 38.4 37.1 632 199 B L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.918 112.6 46.6 -65.8 -46.1 23.2 37.2 33.5 633 200 B M H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.824 109.8 56.1 -60.3 -35.5 26.6 38.6 32.5 634 201 B Y H X S+ 0 0 102 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.920 108.8 45.5 -65.3 -44.7 28.0 36.9 35.6 635 202 B L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.874 112.8 50.1 -67.7 -40.7 26.7 33.5 34.5 636 203 B F H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.935 114.5 45.1 -58.1 -50.6 27.9 33.9 30.9 637 204 B N H X S+ 0 0 23 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.914 113.6 50.1 -60.1 -48.9 31.4 34.9 32.2 638 205 B E H X S+ 0 0 34 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.896 112.6 46.0 -56.9 -49.7 31.4 32.1 34.7 639 206 B N H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.957 111.4 50.4 -58.5 -53.4 30.4 29.5 32.1 640 207 B F H < S+ 0 0 7 -4,-2.8 272,-0.4 1,-0.2 4,-0.4 0.888 116.1 46.3 -51.3 -39.3 32.9 30.7 29.4 641 208 B H H >< S+ 0 0 33 -4,-2.1 3,-0.9 2,-0.2 -2,-0.2 0.914 113.2 44.3 -68.5 -53.0 35.6 30.5 32.2 642 209 B L H >< S+ 0 0 23 -4,-2.8 3,-2.0 1,-0.3 6,-0.5 0.888 108.1 58.7 -68.2 -38.2 34.7 27.1 33.7 643 210 B L T 3< S+ 0 0 2 -4,-2.8 268,-1.2 1,-0.3 -1,-0.3 0.689 103.7 54.4 -58.8 -22.7 34.4 25.5 30.2 644 211 B S T < S+ 0 0 1 -3,-0.9 265,-0.5 -4,-0.4 -1,-0.3 0.327 94.1 95.8 -93.5 4.1 38.0 26.6 29.7 645 212 B T S <> S- 0 0 13 -3,-2.0 4,-1.8 263,-0.2 3,-0.4 -0.652 84.5-112.1-101.5 154.2 39.3 24.8 32.9 646 213 B P H > S+ 0 0 42 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.842 111.5 54.7 -51.3 -41.7 40.8 21.3 33.3 647 214 B W H > S+ 0 0 82 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 108.1 48.3 -65.3 -42.9 37.9 19.7 35.2 648 215 B L H > S+ 0 0 0 -6,-0.5 4,-2.9 -3,-0.4 -1,-0.2 0.890 107.6 56.3 -62.8 -35.8 35.3 20.6 32.6 649 216 B Q H X S+ 0 0 36 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.907 112.0 43.0 -61.2 -38.8 37.6 19.2 29.9 650 217 B L H >X S+ 0 0 35 -4,-1.9 4,-1.4 2,-0.2 3,-0.9 0.921 113.9 50.9 -70.6 -47.1 37.6 15.9 31.7 651 218 B Y H >< S+ 0 0 2 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.915 102.9 58.4 -55.8 -47.0 33.8 16.0 32.4 652 219 B N H 3< S+ 0 0 22 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.673 115.9 35.7 -68.2 -16.2 32.9 16.7 28.8 653 220 B N H << S+ 0 0 49 -3,-0.9 -145,-0.4 -4,-0.5 -1,-0.3 0.509 126.8 36.7-107.0 -13.9 34.6 13.4 27.8 654 221 B F S + 0 0 39 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.820 69.1 55.8 -67.1 -32.3 30.2 12.5 31.6 656 223 B S H 4 S+ 0 0 110 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.946 114.1 39.5 -55.6 -54.7 28.9 9.1 32.6 657 224 B F H 4 S+ 0 0 120 -3,-0.2 -1,-0.2 1,-0.2 -6,-0.1 0.701 127.1 30.9 -67.4 -28.5 31.6 8.6 35.3 658 225 B L H >< S+ 0 0 23 -4,-1.5 3,-2.2 -7,-0.2 -2,-0.2 0.660 87.4 90.0-114.4 -24.8 31.7 12.1 36.7 659 226 B H T 3< S+ 0 0 40 -4,-2.0 -3,-0.1 1,-0.3 -2,-0.1 0.822 94.8 44.0 -49.9 -44.4 28.3 13.9 36.4 660 227 B Y T 3 S+ 0 0 190 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.169 96.8 91.0 -96.3 15.0 27.1 12.7 39.8 661 228 B L S < S- 0 0 80 -3,-2.2 5,-0.1 1,-0.1 2,-0.1 -0.659 91.2 -92.2 -90.9 161.9 30.3 13.5 41.6 662 229 B P S S+ 0 0 109 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.399 72.2 96.2 -63.8 154.9 30.9 16.9 43.2 663 230 B G S >> S- 0 0 34 1,-0.1 3,-1.6 -2,-0.1 4,-0.6 -0.811 81.6 -56.7 151.4 171.0 32.6 19.5 41.1 664 231 B S H 3> S+ 0 0 43 1,-0.3 4,-1.9 -2,-0.2 3,-0.2 0.742 113.7 72.9 -41.8 -42.2 32.7 22.5 38.7 665 232 B H H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.871 93.3 56.3 -49.2 -38.2 30.5 20.7 36.2 666 233 B R H <> S+ 0 0 87 -3,-1.6 4,-3.2 1,-0.2 5,-0.2 0.922 103.3 52.2 -63.5 -45.4 27.6 21.3 38.6 667 234 B K H X S+ 0 0 94 -4,-0.6 4,-3.3 -3,-0.2 -1,-0.2 0.937 111.1 48.2 -51.8 -49.6 28.1 25.0 38.6 668 235 B V H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.959 114.7 44.4 -56.6 -55.8 28.0 25.1 34.7 669 236 B I H X S+ 0 0 25 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.944 116.6 46.2 -53.5 -53.5 24.8 22.9 34.5 670 237 B K H X S+ 0 0 116 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.894 113.9 49.7 -56.4 -45.7 23.1 25.0 37.3 671 238 B N H X S+ 0 0 1 -4,-3.3 4,-1.4 -5,-0.2 -2,-0.2 0.865 110.8 49.3 -59.0 -43.3 24.3 28.2 35.6 672 239 B V H >X S+ 0 0 3 -4,-2.9 4,-2.2 -5,-0.2 3,-1.0 0.986 109.2 52.1 -61.1 -58.3 22.9 27.0 32.2 673 240 B A H 3X S+ 0 0 54 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.856 107.4 52.9 -39.1 -49.5 19.6 26.1 33.8 674 241 B E H 3X S+ 0 0 58 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.807 108.4 50.3 -62.6 -34.5 19.3 29.7 35.4 675 242 B V H < S+ 0 0 77 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.946 111.2 47.5 -54.9 -56.6 3.6 34.8 23.6 688 255 B Q H 3< S+ 0 0 151 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.768 123.1 35.5 -61.1 -28.7 0.9 36.0 26.0 689 256 B S T 3< S+ 0 0 79 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.160 93.1 139.2-108.6 14.4 1.4 39.6 24.7 690 257 B L < - 0 0 33 -3,-1.6 -3,-0.1 -4,-0.1 -4,-0.0 -0.253 35.4-170.3 -70.0 145.0 2.1 38.7 21.0 691 258 B D > - 0 0 77 3,-0.3 3,-2.1 1,-0.1 13,-0.1 -0.865 8.2-162.1-130.8 99.1 0.9 40.4 17.9 692 259 B P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.625 93.8 52.6 -54.2 -18.9 1.7 38.3 14.8 693 260 B N T 3 S+ 0 0 151 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.008 116.7 40.3-105.7 24.9 1.2 41.3 12.5 694 261 B C S < S- 0 0 69 -3,-2.1 2,-0.4 6,-0.0 -3,-0.3 -0.247 71.9-175.0-168.8 63.4 3.6 43.4 14.7 695 262 B P - 0 0 57 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.570 9.5-164.1 -73.2 122.8 6.7 41.4 15.8 696 263 B R - 0 0 76 -2,-0.4 2,-0.3 1,-0.1 -78,-0.1 0.640 65.7 -20.4 -77.3 -15.7 8.8 43.6 18.2 697 264 B D S > S- 0 0 0 -79,-0.1 4,-2.4 -80,-0.1 3,-0.4 -0.973 83.1 -66.3-175.7 175.1 12.0 41.4 17.9 698 265 B L H > S+ 0 0 0 -82,-2.2 4,-2.1 -2,-0.3 5,-0.2 0.837 126.8 56.5 -52.3 -39.4 13.6 38.0 17.0 699 266 B T H > S+ 0 0 0 -82,-1.7 4,-1.2 -83,-0.3 -1,-0.2 0.899 108.5 47.1 -63.7 -39.9 11.8 36.4 19.9 700 267 B D H > S+ 0 0 0 -3,-0.4 4,-2.2 -83,-0.3 -2,-0.2 0.933 109.6 56.0 -61.4 -44.9 8.5 37.6 18.4 701 268 B C H X S+ 0 0 22 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.854 105.8 47.9 -57.3 -44.1 9.6 36.3 15.0 702 269 B L H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.839 111.2 53.0 -68.2 -31.7 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0 0 5 -4,-1.0 4,-3.0 -3,-0.5 5,-0.2 0.873 113.3 50.1 -76.2 -32.6 14.3 29.5 24.6 724 291 B V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -176,-0.3 0.921 112.7 48.5 -61.3 -43.5 17.3 27.3 23.7 725 292 B T H X S+ 0 0 0 -4,-1.4 4,-1.4 -5,-0.2 -2,-0.2 0.949 118.1 38.1 -62.2 -51.9 17.5 29.2 20.4 726 293 B V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.876 114.5 53.7 -67.8 -41.1 17.3 32.6 22.1 727 294 B A H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.802 107.1 55.0 -64.7 -31.9 19.5 31.6 25.1 728 295 B D H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.2 5,-0.3 0.900 111.6 42.0 -57.9 -49.7 22.1 30.5 22.5 729 296 B L H X S+ 0 0 17 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.747 112.3 54.6 -76.2 -29.4 22.1 33.9 20.9 730 297 B F H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 5,-0.2 0.965 114.1 40.4 -64.7 -55.8 22.0 35.7 24.2 731 298 B F H >X S+ 0 0 17 -4,-2.1 4,-3.2 2,-0.2 3,-0.6 0.968 122.6 38.4 -55.1 -62.0 25.2 33.9 25.5 732 299 B A H 3X S+ 0 0 43 -4,-2.1 4,-0.7 1,-0.2 5,-0.4 0.819 112.3 58.0 -63.7 -36.5 27.2 33.9 22.3 733 300 B G H 3< S+ 0 0 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3,-0.6 1,-0.2 4,-0.4 0.702 82.8 75.4 -58.4 -22.8 35.4 55.2 8.6 777 344 B R G X S+ 0 0 66 -3,-0.9 3,-1.3 -4,-0.3 7,-0.3 0.893 87.1 57.4 -58.2 -45.3 37.0 51.7 8.4 778 345 B Q G < S+ 0 0 146 -3,-0.9 -1,-0.2 -4,-0.4 76,-0.2 0.752 112.2 40.9 -60.5 -29.5 38.2 52.1 4.8 779 346 B E G < S+ 0 0 89 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.431 108.1 69.9 -95.2 -2.2 40.2 55.2 5.7 780 347 B M <> + 0 0 0 -3,-1.3 4,-2.1 -4,-0.4 -1,-0.2 -0.671 51.8 153.8-116.2 73.4 41.3 53.6 8.9 781 348 B P H > S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.827 72.6 54.1 -71.6 -30.1 43.7 50.9 7.9 782 349 B Y H > S+ 0 0 39 2,-0.2 4,-1.8 -3,-0.2 -24,-0.1 0.883 113.1 41.8 -71.7 -40.6 45.7 50.8 11.2 783 350 B M H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.928 112.4 53.9 -67.5 -51.0 42.5 50.3 13.3 784 351 B D H X S+ 0 0 17 -4,-2.1 4,-1.8 -7,-0.3 -2,-0.2 0.913 112.8 46.2 -45.5 -46.2 41.1 47.8 10.9 785 352 B A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.844 111.4 49.4 -69.6 -39.3 44.4 45.9 11.3 786 353 B V H X S+ 0 0 0 -4,-1.8 4,-2.6 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