==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 14-JUN-04 1TO9 . COMPND 2 MOLECULE: THI-4 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.S.RAJAN,L.SHUVALOVA,X.YANG,W.F.ANDERSON,MIDWEST CENTER FOR . 448 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 81.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 1 2 1 5 0 1 1 0 0 3 0 0 0 0 1 1 2 0 0 0 0 2 0 3 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A K > 0 0 168 0, 0.0 4,-0.6 0, 0.0 178,-0.0 0.000 360.0 360.0 360.0 145.0 22.3 -1.6 5.8 2 3 A F H > + 0 0 13 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.863 360.0 52.1 -90.4 -38.0 18.6 -1.8 6.6 3 4 A S H >> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.941 111.5 49.1 -53.2 -51.2 18.2 -5.6 6.8 4 5 A E H 3> S+ 0 0 91 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.829 106.0 56.3 -60.1 -35.9 21.2 -5.7 9.2 5 6 A E H 3X S+ 0 0 74 -4,-0.6 4,-1.6 1,-0.2 -1,-0.3 0.849 107.1 52.0 -63.4 -32.6 19.5 -2.9 11.3 6 7 A C H < S+ 0 0 77 -4,-1.5 3,-2.1 1,-0.2 4,-0.3 0.978 107.7 47.0 -60.2 -55.8 19.9 -6.0 15.6 9 10 A A H 3< S+ 0 0 45 -4,-1.6 3,-0.3 1,-0.3 -1,-0.2 0.800 115.7 47.2 -54.3 -32.7 16.5 -5.0 16.8 10 11 A A T >X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 3,-1.0 0.229 78.3 115.1 -92.3 11.9 15.4 -8.7 16.7 11 12 A A H <>> + 0 0 45 -3,-2.1 4,-3.8 1,-0.3 5,-0.5 0.873 66.9 59.1 -58.0 -48.8 18.5 -10.0 18.5 12 13 A E H 3>5S+ 0 0 86 -3,-0.3 4,-1.4 -4,-0.3 -1,-0.3 0.860 113.8 39.0 -44.4 -43.1 16.8 -11.2 21.6 13 14 A W H <>5S+ 0 0 20 -3,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.857 119.2 44.8 -84.0 -36.5 14.7 -13.6 19.5 14 15 A W H X5S+ 0 0 5 -4,-2.1 4,-1.5 -7,-0.2 -2,-0.2 0.940 120.1 42.0 -66.8 -51.3 17.4 -14.6 17.0 15 16 A E H X5S+ 0 0 108 -4,-3.8 4,-1.5 -5,-0.2 -2,-0.2 0.846 113.3 53.5 -62.0 -38.4 19.8 -15.1 19.8 16 17 A G H << S+ 0 0 0 -4,-1.3 3,-0.8 2,-0.2 6,-0.3 0.900 102.8 54.3 -67.0 -42.4 16.4 -19.2 19.1 18 19 A F H 3< S+ 0 0 28 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.940 119.2 32.3 -58.1 -49.0 20.1 -20.4 19.0 19 20 A V T 3< S+ 0 0 90 -4,-1.5 -1,-0.2 4,-0.1 -2,-0.2 0.297 89.2 130.1 -93.0 8.4 20.2 -21.3 22.7 20 21 A H X> - 0 0 10 -3,-0.8 4,-2.1 -4,-0.3 3,-1.3 -0.416 67.6-123.0 -64.8 134.7 16.5 -22.3 22.9 21 22 A P H 3> S+ 0 0 61 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.622 109.4 57.9 -56.8 -12.8 16.1 -25.7 24.6 22 23 A F H 3> S+ 0 0 0 2,-0.2 4,-0.8 3,-0.1 9,-0.1 0.816 107.5 45.8 -87.4 -33.1 14.2 -27.1 21.5 23 24 A V H X> S+ 0 0 9 -3,-1.3 4,-2.6 -6,-0.3 3,-0.5 0.923 115.7 46.4 -70.3 -46.2 17.1 -26.3 19.2 24 25 A Q H 3X S+ 0 0 77 -4,-2.1 4,-3.1 1,-0.2 6,-0.4 0.900 108.1 56.9 -60.7 -43.1 19.6 -27.8 21.7 25 26 A G H 3<>S+ 0 0 2 -4,-1.5 6,-2.4 -5,-0.3 5,-0.8 0.763 110.9 44.2 -62.3 -26.8 17.4 -30.8 22.2 26 27 A I H <<5S+ 0 0 1 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.901 115.6 45.1 -80.3 -47.4 17.6 -31.4 18.5 27 28 A G H <5S+ 0 0 3 -4,-2.6 122,-0.5 1,-0.3 -2,-0.2 0.728 125.1 34.5 -67.4 -23.7 21.4 -30.8 18.3 28 29 A D T <5S- 0 0 90 -4,-3.1 123,-0.6 -5,-0.2 -1,-0.3 0.478 100.8-140.9-100.5 -9.0 21.7 -33.0 21.4 29 30 A G T 5S+ 0 0 18 -5,-0.3 -3,-0.3 121,-0.2 -4,-0.2 0.727 72.5 122.0 59.0 16.8 18.6 -35.2 19.9 30 31 A T < + 0 0 103 -5,-0.8 -4,-0.2 -6,-0.4 -5,-0.2 0.586 37.8 112.7 -86.2 -8.3 17.8 -35.1 23.9 31 32 A L S S- 0 0 6 -6,-2.4 5,-0.1 -9,-0.1 -9,-0.1 -0.500 84.6-108.8 -66.4 122.9 14.6 -33.6 22.9 32 33 A P >> - 0 0 47 0, 0.0 3,-1.3 0, 0.0 4,-1.2 -0.308 23.2-131.7 -54.6 134.1 11.7 -35.9 23.7 33 34 A I H 3> S+ 0 0 73 1,-0.3 4,-1.0 2,-0.2 5,-0.1 0.639 101.0 69.6 -69.3 -15.5 10.4 -37.3 20.4 34 35 A D H 3> S+ 0 0 68 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.812 102.6 46.0 -66.4 -31.3 6.8 -36.5 21.3 35 36 A R H <> S+ 0 0 71 -3,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.898 105.9 55.2 -80.2 -46.4 7.6 -32.8 21.0 36 37 A F H X S+ 0 0 0 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.794 109.4 51.2 -57.4 -28.5 9.5 -32.9 17.7 37 38 A K H X S+ 0 0 37 -4,-1.0 4,-2.0 2,-0.2 5,-0.2 0.940 105.9 51.7 -75.5 -49.1 6.4 -34.6 16.2 38 39 A Y H X S+ 0 0 31 -4,-1.4 4,-2.1 1,-0.2 5,-0.2 0.924 109.5 54.3 -51.8 -43.2 4.0 -32.0 17.5 39 40 A Y H X S+ 0 0 1 -4,-2.5 4,-3.5 1,-0.2 5,-0.3 0.936 105.4 50.4 -52.1 -56.9 6.4 -29.5 15.8 40 41 A V H X S+ 0 0 15 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.811 110.5 50.0 -55.7 -35.7 6.2 -31.3 12.4 41 42 A L H X S+ 0 0 23 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.914 116.1 41.1 -69.7 -44.1 2.4 -31.2 12.5 42 43 A Q H X S+ 0 0 9 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.886 111.8 55.6 -70.7 -40.4 2.3 -27.6 13.4 43 44 A D H X S+ 0 0 14 -4,-3.5 4,-2.6 1,-0.2 -1,-0.2 0.787 104.3 56.3 -63.4 -27.0 5.1 -26.7 11.0 44 45 A S H X S+ 0 0 31 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.2 0.921 108.7 44.4 -71.7 -43.0 3.0 -28.3 8.2 45 46 A Y H X S+ 0 0 29 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.899 114.2 52.6 -62.6 -41.1 -0.0 -26.1 8.9 46 47 A Y H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 3,-0.3 0.926 107.3 49.9 -61.9 -48.6 2.4 -23.2 9.1 47 48 A L H X S+ 0 0 20 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.851 103.8 60.2 -58.7 -37.7 4.0 -24.1 5.7 48 49 A T H X S+ 0 0 64 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.917 113.0 37.7 -58.3 -40.8 0.5 -24.2 4.1 49 50 A H H X S+ 0 0 32 -4,-1.5 4,-2.6 -3,-0.3 5,-0.2 0.838 109.2 61.1 -83.5 -30.5 -0.1 -20.6 5.1 50 51 A F H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.908 107.4 47.6 -56.2 -39.6 3.5 -19.5 4.4 51 52 A A H X S+ 0 0 18 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.885 109.3 51.6 -73.7 -39.3 3.0 -20.6 0.8 52 53 A K H X S+ 0 0 108 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.916 112.6 46.8 -61.5 -41.6 -0.4 -18.8 0.5 53 54 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.851 108.5 55.4 -69.4 -32.3 1.3 -15.6 1.8 54 55 A Q H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.921 107.0 50.3 -65.4 -39.8 4.2 -16.1 -0.6 55 56 A S H X S+ 0 0 60 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.850 107.1 53.8 -64.6 -34.0 1.6 -16.2 -3.4 56 57 A F H X S+ 0 0 72 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.912 106.6 54.0 -65.3 -39.4 0.1 -13.0 -2.1 57 58 A G H >X S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.9 0.925 106.7 49.7 -57.5 -46.1 3.6 -11.6 -2.3 58 59 A A H >< S+ 0 0 5 -4,-2.1 3,-0.8 1,-0.3 -1,-0.2 0.902 107.5 55.2 -62.8 -38.8 3.8 -12.6 -6.0 59 60 A A H 3< S+ 0 0 80 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.720 111.4 44.9 -66.4 -19.2 0.5 -11.0 -6.6 60 61 A Y H << S+ 0 0 105 -4,-1.0 64,-0.4 -3,-0.9 -1,-0.2 0.504 82.8 122.2-103.6 -7.1 1.8 -7.7 -5.2 61 62 A A << - 0 0 15 -4,-0.9 6,-0.0 -3,-0.8 -3,-0.0 -0.233 67.3-127.1 -57.3 146.3 5.2 -7.7 -6.9 62 63 A K S S+ 0 0 172 2,-0.0 2,-0.3 4,-0.0 -1,-0.1 0.562 85.3 24.0 -76.0 -9.7 5.8 -4.5 -9.1 63 64 A D S > S- 0 0 59 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.961 81.6-105.6-152.8 168.3 6.7 -6.5 -12.2 64 65 A L H > S+ 0 0 148 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.799 112.4 58.4 -70.1 -32.9 6.2 -9.9 -13.9 65 66 A Y H > S+ 0 0 161 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.963 109.2 43.9 -60.2 -54.0 9.7 -11.2 -13.2 66 67 A T H > S+ 0 0 12 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.897 108.0 57.4 -60.5 -46.0 9.3 -10.9 -9.5 67 68 A T H X S+ 0 0 44 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.907 110.9 46.0 -49.0 -44.0 5.8 -12.3 -9.5 68 69 A G H X S+ 0 0 37 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.895 112.1 50.2 -68.3 -42.1 7.5 -15.3 -11.1 69 70 A R H >X S+ 0 0 82 -4,-2.5 4,-2.4 2,-0.2 3,-0.7 0.997 115.9 40.8 -55.0 -64.8 10.3 -15.3 -8.6 70 71 A X H 3X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.3 -2,-0.2 0.838 113.6 56.4 -52.1 -37.2 7.9 -15.1 -5.6 71 72 A A H 3X S+ 0 0 42 -4,-2.1 4,-1.5 -5,-0.4 -1,-0.3 0.882 107.6 46.0 -68.5 -38.6 5.6 -17.6 -7.4 72 73 A S H X S+ 0 0 53 -4,-1.6 4,-2.9 -5,-0.2 3,-0.8 0.950 118.1 41.6 -60.0 -53.0 5.9 -32.4 0.7 83 84 A A H 3X S+ 0 0 40 -4,-3.8 4,-1.8 1,-0.3 2,-0.8 0.898 109.4 56.8 -69.0 -44.3 9.5 -33.3 1.5 84 85 A L H 3< S+ 0 0 20 -4,-3.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.173 117.4 38.0 -82.1 42.1 9.3 -32.5 5.2 85 86 A H H <> S+ 0 0 63 -2,-0.8 4,-2.5 -3,-0.8 5,-0.5 0.198 107.0 60.6-149.4 -47.3 6.4 -34.9 5.4 86 87 A R H X S+ 0 0 139 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.950 117.8 32.6 -45.2 -55.2 7.5 -37.7 3.0 87 88 A E H X S+ 0 0 86 -4,-1.8 4,-1.1 1,-0.1 -1,-0.2 0.935 128.7 33.4 -73.2 -48.4 10.6 -38.3 5.2 88 89 A F H > S+ 0 0 3 -5,-0.4 4,-1.0 1,-0.2 -2,-0.2 0.700 103.4 69.2 -93.3 -19.4 9.3 -37.5 8.7 89 90 A A H <>S+ 0 0 16 -4,-2.5 5,-0.9 2,-0.2 3,-0.2 0.905 106.4 42.2 -65.1 -44.6 5.7 -38.6 8.5 90 91 A E H <5S+ 0 0 142 -4,-0.6 -2,-0.2 -5,-0.5 -1,-0.2 0.993 111.0 54.2 -58.2 -63.3 6.7 -42.3 8.3 91 92 A L H <5S+ 0 0 96 -4,-1.1 2,-0.2 2,-0.1 -1,-0.2 0.607 110.3 55.1 -56.8 -16.1 9.4 -42.1 10.9 92 93 A L T <5S- 0 0 10 -4,-1.0 2,-0.7 -3,-0.2 -58,-0.0 -0.679 96.5-109.8-109.9 170.8 6.9 -40.6 13.4 93 94 A E T 5 + 0 0 157 -2,-0.2 2,-1.1 2,-0.0 -3,-0.1 -0.315 53.6 157.7-100.6 52.5 3.6 -42.2 14.4 94 95 A I < - 0 0 23 -5,-0.9 -2,-0.1 -2,-0.7 2,-0.0 -0.641 19.8-169.4 -86.9 97.7 1.3 -39.7 12.7 95 96 A S > - 0 0 45 -2,-1.1 4,-0.9 1,-0.1 3,-0.3 -0.296 34.1-120.9 -76.3 165.0 -2.1 -41.4 12.1 96 97 A E H > S+ 0 0 123 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.513 113.5 68.4 -80.3 -8.4 -4.9 -40.0 9.9 97 98 A E H > S+ 0 0 139 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.759 105.5 39.7 -77.4 -29.5 -7.0 -40.1 13.1 98 99 A E H 4 S+ 0 0 79 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.681 108.5 62.6 -88.5 -23.7 -4.7 -37.3 14.5 99 100 A R H >< S+ 0 0 96 -4,-0.9 3,-0.8 1,-0.2 -2,-0.2 0.908 111.4 37.4 -66.2 -41.7 -4.6 -35.5 11.1 100 101 A K H 3< S+ 0 0 153 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.841 114.8 55.1 -78.1 -33.4 -8.3 -34.9 11.3 101 102 A A T 3< S+ 0 0 79 -4,-0.8 2,-0.5 -5,-0.1 -1,-0.2 -0.040 88.5 120.8 -84.8 32.1 -8.2 -34.3 15.0 102 103 A F < + 0 0 51 -3,-0.8 -3,-0.1 -61,-0.0 -4,-0.0 -0.877 35.4 173.2-105.6 127.2 -5.6 -31.6 14.3 103 104 A K - 0 0 135 -2,-0.5 2,-0.1 0, 0.0 -58,-0.0 -0.984 35.2-113.5-125.9 137.4 -6.1 -28.0 15.3 104 105 A P - 0 0 13 0, 0.0 -62,-0.0 0, 0.0 112,-0.0 -0.428 37.5-117.0 -64.5 149.1 -3.4 -25.3 14.9 105 106 A S > - 0 0 1 -2,-0.1 4,-3.3 111,-0.1 5,-0.3 -0.353 25.1 -99.5 -85.1 164.9 -2.1 -23.9 18.2 106 107 A P H > S+ 0 0 3 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.932 123.5 43.0 -47.2 -58.5 -2.3 -20.4 19.6 107 108 A T H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.916 115.0 48.1 -55.3 -50.7 1.2 -19.5 18.5 108 109 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.947 116.6 44.7 -59.7 -44.7 1.0 -21.2 15.1 109 110 A Y H X S+ 0 0 8 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.938 114.3 47.7 -62.9 -48.1 -2.4 -19.4 14.5 110 111 A S H X S+ 0 0 8 -4,-3.5 4,-1.6 -5,-0.3 -1,-0.2 0.870 111.3 51.2 -64.3 -36.6 -1.2 -16.1 15.7 111 112 A Y H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 3,-0.2 0.947 111.9 45.7 -67.9 -50.0 2.0 -16.2 13.7 112 113 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.906 108.6 57.3 -61.5 -35.5 0.2 -17.0 10.5 113 114 A S H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.886 104.4 53.8 -61.5 -34.9 -2.3 -14.2 11.3 114 115 A H H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.939 108.4 47.8 -64.6 -42.4 0.6 -11.9 11.4 115 116 A X H X S+ 0 0 1 -4,-1.8 4,-1.3 1,-0.2 3,-0.2 0.941 113.6 47.1 -65.9 -45.7 1.8 -12.9 8.0 116 117 A Y H X S+ 0 0 15 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.846 105.7 60.7 -61.9 -33.8 -1.7 -12.6 6.6 117 118 A R H >< S+ 0 0 22 -4,-2.5 3,-1.0 -5,-0.2 4,-0.4 0.910 100.1 54.8 -58.8 -41.0 -2.0 -9.2 8.3 118 119 A S H >< S+ 0 0 4 -4,-1.8 3,-2.2 1,-0.3 5,-0.4 0.901 98.0 63.5 -61.8 -38.8 1.0 -7.9 6.3 119 120 A V H >< S+ 0 0 2 -4,-1.3 3,-1.9 1,-0.3 -1,-0.3 0.841 92.2 65.3 -52.2 -34.4 -0.8 -8.9 3.1 120 121 A L T << S+ 0 0 58 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.657 87.6 68.0 -68.3 -15.8 -3.5 -6.3 3.9 121 122 A S T < S- 0 0 47 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.615 92.4-146.1 -74.8 -14.4 -1.0 -3.5 3.5 122 123 A G < + 0 0 32 -3,-1.9 2,-0.6 -4,-0.3 -2,-0.1 0.581 59.9 125.3 59.2 7.5 -1.0 -4.3 -0.2 123 124 A N > - 0 0 44 -5,-0.4 4,-1.9 1,-0.1 3,-0.2 -0.895 55.6-152.8-101.9 117.3 2.7 -3.3 0.0 124 125 A F H > S+ 0 0 20 -2,-0.6 4,-2.1 -64,-0.4 -1,-0.1 0.787 93.7 55.5 -58.8 -35.2 5.1 -5.9 -1.3 125 126 A A H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 107.2 48.3 -66.3 -46.3 8.0 -4.8 0.9 126 127 A E H > S+ 0 0 14 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.881 111.0 51.7 -62.8 -38.1 6.0 -5.1 4.1 127 128 A I H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.937 113.1 45.0 -63.7 -42.9 4.8 -8.6 3.0 128 129 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.861 107.5 57.6 -67.7 -38.9 8.4 -9.6 2.4 129 130 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.882 108.2 48.1 -58.7 -37.5 9.6 -8.0 5.7 130 131 A A H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.758 115.0 46.1 -73.3 -25.4 7.1 -10.3 7.4 131 132 A L H >X S+ 0 0 0 -4,-1.1 3,-1.0 -3,-0.2 4,-0.7 0.664 91.3 80.4 -88.5 -20.6 8.4 -13.3 5.5 132 133 A L H >X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.3 3,-1.9 0.907 85.1 56.0 -63.4 -49.0 12.2 -12.9 5.7 133 134 A P H 34>S+ 0 0 0 0, 0.0 5,-1.0 0, 0.0 -1,-0.3 0.702 98.7 63.0 -58.6 -18.3 12.8 -14.3 9.3 134 135 A C H <45S+ 0 0 14 -3,-1.0 -2,-0.2 3,-0.2 -3,-0.1 0.811 118.4 28.6 -76.2 -25.0 11.1 -17.5 8.2 135 136 A Y H 5S+ 0 0 0 -4,-0.2 4,-1.4 -5,-0.2 -1,-0.2 0.894 117.2 51.7 -67.3 -36.4 16.5 -16.9 11.0 138 139 A Y H >X S+ 0 0 49 -4,-1.9 4,-1.1 2,-0.2 3,-0.7 0.864 107.3 59.7 -77.7 -34.8 23.8 -24.2 10.1 144 145 A K H 3< S+ 0 0 103 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.868 112.4 44.2 -57.1 -31.4 24.5 -23.6 13.8 145 146 A L T >< S+ 0 0 7 -4,-1.1 3,-0.9 1,-0.2 -1,-0.3 0.601 98.3 76.9 -83.6 -16.3 23.0 -27.2 14.1 146 147 A L T <4 S+ 0 0 66 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.921 96.2 43.6 -60.4 -48.9 25.0 -28.4 11.0 147 148 A H T 3< S+ 0 0 186 -4,-1.1 -1,-0.3 -3,-0.1 2,-0.2 0.295 104.6 94.9 -81.8 10.4 28.4 -28.7 12.8 148 149 A C < - 0 0 43 -3,-0.9 -120,-0.1 -5,-0.2 -3,-0.1 -0.644 59.6-164.5 -92.6 158.4 26.2 -30.3 15.5 149 150 A D - 0 0 130 -122,-0.5 2,-0.3 -2,-0.2 -122,-0.1 -0.817 2.8-170.0-150.2 106.1 25.7 -34.1 15.8 150 151 A P - 0 0 2 0, 0.0 2,-1.4 0, 0.0 -121,-0.2 -0.697 30.8-119.6 -91.8 151.5 23.0 -35.7 17.9 151 152 A G S S+ 0 0 78 -123,-0.6 -123,-0.0 -2,-0.3 -124,-0.0 -0.435 85.1 81.9 -90.6 61.4 22.9 -39.5 18.6 152 153 A H S >> S- 0 0 70 -2,-1.4 4,-1.8 1,-0.1 3,-1.2 -0.788 72.5-136.5-165.5 112.6 19.6 -40.3 16.9 153 154 A P H 3> S+ 0 0 96 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.747 100.8 60.7 -42.6 -36.8 18.9 -40.8 13.2 154 155 A I H 3> S+ 0 0 9 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.920 109.8 39.9 -62.8 -43.3 15.7 -38.7 13.2 155 156 A Y H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 5,-0.2 0.879 111.5 56.3 -75.4 -38.5 17.5 -35.5 14.3 156 157 A Q H X S+ 0 0 90 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.857 107.8 51.9 -55.4 -36.5 20.5 -36.1 12.1 157 158 A K H X S+ 0 0 73 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.917 108.1 48.9 -69.4 -42.8 18.0 -36.3 9.2 158 159 A W H X S+ 0 0 8 -4,-1.5 4,-1.0 1,-0.2 5,-0.2 0.901 109.7 52.4 -64.7 -41.5 16.4 -33.0 10.1 159 160 A I H X S+ 0 0 14 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.897 107.0 53.4 -58.8 -43.4 19.8 -31.2 10.4 160 161 A G H X S+ 0 0 45 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.865 97.7 70.7 -59.9 -36.3 20.7 -32.5 6.9 161 162 A T H < S+ 0 0 48 -4,-1.5 3,-0.4 1,-0.2 6,-0.2 0.926 110.3 22.7 -46.1 -68.1 17.5 -31.1 5.5 162 163 A Y H < S+ 0 0 23 -4,-1.0 6,-0.3 1,-0.2 -1,-0.2 0.595 109.4 75.5 -86.8 -12.8 18.3 -27.4 5.6 163 164 A G H < S+ 0 0 24 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.881 71.2 100.9 -65.0 -40.8 22.0 -27.6 5.7 164 165 A G S >X S- 0 0 38 -4,-1.3 3,-0.8 -3,-0.4 4,-0.5 -0.079 84.4-121.0 -46.3 143.9 22.2 -28.5 2.0 165 166 A D T 34 S+ 0 0 104 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.656 99.5 88.0 -65.4 -15.8 23.2 -25.5 -0.2 166 167 A W T 34 S+ 0 0 203 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.935 90.4 44.1 -45.2 -57.5 19.9 -26.0 -2.1 167 168 A F T X4 S+ 0 0 35 -3,-0.8 3,-1.6 -6,-0.2 -2,-0.2 0.974 96.4 78.9 -50.3 -78.9 18.1 -23.7 0.4 168 169 A R T >< S+ 0 0 95 -4,-0.5 3,-3.4 -6,-0.3 4,-0.2 0.429 79.2 55.9 5.7-112.6 20.6 -20.8 0.8 169 170 A Q T 3> S+ 0 0 92 -4,-0.3 4,-2.5 1,-0.3 5,-0.3 0.532 96.8 70.6 -4.4 -52.0 20.5 -18.3 -2.2 170 171 A Q H <> S+ 0 0 30 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.3 0.912 97.0 50.7 -37.5 -53.8 16.8 -17.9 -1.5 171 172 A V H <> S+ 0 0 1 -3,-3.4 4,-2.8 2,-0.2 -1,-0.2 0.903 111.6 46.3 -57.4 -46.0 17.7 -16.0 1.7 172 173 A E H > S+ 0 0 63 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.977 109.8 51.6 -62.6 -61.2 20.2 -13.6 -0.2 173 174 A E H X S+ 0 0 41 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.915 114.3 47.3 -36.1 -51.2 17.8 -12.8 -3.0 174 175 A Q H X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.3 -2,-0.2 0.926 113.2 45.7 -63.3 -48.9 15.3 -12.0 -0.3 175 176 A I H X S+ 0 0 17 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.879 114.4 48.5 -61.7 -42.2 17.7 -9.8 1.8 176 177 A N H X S+ 0 0 100 -4,-3.6 4,-4.2 2,-0.2 -2,-0.2 0.973 115.3 44.2 -62.0 -53.0 18.9 -8.0 -1.3 177 178 A R H X S+ 0 0 34 -4,-3.0 4,-3.2 -5,-0.3 5,-0.3 0.891 114.2 52.5 -54.8 -45.7 15.4 -7.4 -2.4 178 179 A F H X S+ 0 0 0 -4,-3.3 4,-3.1 -5,-0.2 5,-0.3 0.993 115.6 37.9 -51.3 -67.9 14.6 -6.5 1.2 179 180 A D H X S+ 0 0 12 -4,-3.6 4,-4.3 1,-0.2 -2,-0.2 0.885 115.6 55.3 -57.5 -40.6 17.4 -3.9 1.4 180 181 A E H X S+ 0 0 118 -4,-4.2 4,-1.1 -5,-0.3 -1,-0.2 0.977 113.2 40.1 -55.0 -59.8 16.8 -2.8 -2.2 181 182 A L H >< S+ 0 0 34 -4,-3.2 3,-1.2 1,-0.2 -2,-0.2 0.946 119.6 46.0 -53.3 -55.7 13.1 -2.0 -1.5 182 183 A A H >< S+ 0 0 0 -4,-3.1 3,-2.2 -5,-0.3 -1,-0.2 0.936 100.6 69.7 -48.1 -51.8 13.9 -0.5 1.9 183 184 A E H 3< S+ 0 0 140 -4,-4.3 -1,-0.2 1,-0.3 -2,-0.2 0.755 114.8 25.1 -43.5 -35.8 16.8 1.4 0.4 184 185 A N T << S+ 0 0 125 -3,-1.2 2,-0.3 -4,-1.1 -1,-0.3 -0.353 97.7 113.6-129.0 54.9 14.3 3.6 -1.5 185 186 A S S < S- 0 0 32 -3,-2.2 5,-0.1 1,-0.1 -3,-0.0 -0.906 71.4 -91.7-120.8 152.2 11.1 3.4 0.7 186 187 A T > - 0 0 86 -2,-0.3 4,-1.4 1,-0.1 -1,-0.1 0.036 38.5-108.9 -51.5 167.9 9.3 6.2 2.7 187 188 A E H > S+ 0 0 154 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.936 120.4 51.1 -66.1 -44.5 10.3 6.6 6.3 188 189 A E H > S+ 0 0 143 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.937 108.3 49.7 -57.6 -50.4 6.9 5.2 7.3 189 190 A V H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.816 108.2 54.9 -61.8 -31.3 7.2 2.1 5.2 190 191 A R H X S+ 0 0 53 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.943 104.8 51.6 -66.5 -48.9 10.7 1.4 6.6 191 192 A A H X S+ 0 0 59 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.825 110.2 51.6 -55.8 -34.1 9.4 1.4 10.1 192 193 A K H X S+ 0 0 59 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.872 107.4 49.6 -71.6 -41.0 6.7 -1.1 9.0 193 194 A X H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.857 113.6 50.0 -63.7 -35.4 9.2 -3.5 7.4 194 195 A K H X S+ 0 0 61 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.964 110.9 46.4 -64.5 -56.6 11.1 -3.2 10.7 195 196 A E H X S+ 0 0 74 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.940 114.4 48.5 -53.5 -48.9 8.0 -3.9 12.8 196 197 A N H X S+ 0 0 3 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.870 111.3 49.0 -63.7 -40.0 7.1 -6.8 10.7 197 198 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.954 113.8 44.9 -61.6 -53.9 10.5 -8.4 10.7 198 199 A V H X S+ 0 0 27 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.906 113.3 50.5 -62.8 -41.8 10.9 -8.1 14.5 199 200 A I H X S+ 0 0 12 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.937 110.6 48.4 -64.5 -44.3 7.4 -9.4 15.1 200 201 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.885 110.9 53.5 -60.1 -36.3 8.0 -12.5 12.8 201 202 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.962 105.9 51.6 -61.3 -50.9 11.2 -12.9 14.7 202 203 A Y H X S+ 0 0 29 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.915 112.2 47.1 -49.1 -46.8 9.4 -13.0 18.0 203 204 A Y H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.826 106.8 55.3 -70.3 -33.5 7.0 -15.6 16.7 204 205 A E H X S+ 0 0 4 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.921 112.6 44.9 -63.7 -40.8 9.8 -17.8 15.3 205 206 A Y H >X S+ 0 0 47 -4,-2.4 4,-1.4 1,-0.2 3,-0.6 0.947 113.7 49.6 -65.0 -45.0 11.3 -17.8 18.8 206 207 A Q H 3X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.811 100.1 64.7 -67.1 -31.7 7.9 -18.4 20.2 207 208 A F H 3X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.891 100.9 52.0 -58.1 -40.4 7.3 -21.3 17.8 208 209 A W H S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 4,-0.3 0.917 112.2 35.8 -57.2 -49.0 5.3 -23.7 21.4 211 212 A A H ><5S+ 0 0 0 -4,-2.2 3,-1.0 -3,-0.3 -1,-0.2 0.849 108.7 65.3 -74.8 -34.3 6.6 -27.1 20.4 212 213 A Y H 3<5S+ 0 0 79 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.835 115.7 30.7 -59.5 -28.7 8.8 -27.5 23.4 213 214 A R T 3<5S- 0 0 124 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.375 102.4-123.3-108.7 2.3 5.5 -27.5 25.5 214 215 A K T < 5 - 0 0 95 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.882 42.2-147.7 53.8 38.8 3.1 -29.1 23.0 215 216 A E < + 0 0 22 -5,-2.2 2,-0.2 -6,-0.2 -1,-0.1 -0.013 23.4 179.5 -45.9 130.3 1.0 -25.8 23.5 216 217 A G - 0 0 26 -3,-0.1 3,-0.3 -111,-0.1 4,-0.2 -0.592 39.8-101.4-119.2-173.6 -2.8 -26.2 23.3 217 218 A W S S+ 0 0 52 -2,-0.2 3,-0.5 1,-0.2 4,-0.3 0.760 113.3 56.9 -89.0 -24.6 -5.6 -23.7 23.7 218 219 A S S > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.1 5,-0.3 0.572 80.0 91.4 -80.6 -6.9 -6.7 -24.4 27.2 219 220 A D H > S+ 0 0 69 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.854 82.6 56.7 -54.8 -43.7 -3.2 -23.8 28.7 220 221 A S H > S+ 0 0 23 -3,-0.5 4,-0.8 -4,-0.2 -1,-0.2 0.935 115.0 34.8 -46.9 -57.5 -4.1 -20.1 29.3 221 222 A A H > S+ 0 0 5 -4,-0.3 4,-2.5 -3,-0.2 3,-0.2 0.861 118.0 50.5 -76.4 -39.1 -7.2 -20.9 31.4 222 223 A I H < S+ 0 0 117 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.902 103.8 59.4 -65.2 -42.4 -5.8 -24.0 33.2 223 224 A K H < S+ 0 0 191 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.832 120.2 28.3 -55.9 -32.8 -2.6 -22.3 34.2 224 225 A E H < 0 0 81 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.1 0.926 360.0 360.0 -96.2 -60.7 -4.7 -19.8 36.1 225 226 A V < 0 0 127 -4,-2.5 24,-0.0 -5,-0.1 20,-0.0 -0.221 360.0 360.0 -53.9 360.0 -8.0 -21.3 37.3 226 !* 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 0.0 227 -1 B N 0 0 195 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.9 -28.6 -29.1 19.4 228 0 B A - 0 0 39 0, 0.0 2,-1.9 0, 0.0 5,-0.1 0.363 360.0-131.0-148.0 -7.1 -29.1 -25.5 20.6 229 1 B X S S+ 0 0 198 4,-0.1 2,-0.4 2,-0.0 3,-0.0 -0.472 90.0 58.7 79.7 -65.2 -31.7 -23.9 18.3 230 2 B K S > S- 0 0 98 -2,-1.9 4,-1.7 1,-0.1 3,-0.3 -0.818 73.1-145.7-101.2 132.4 -29.5 -20.8 17.7 231 3 B F H > S+ 0 0 13 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.796 100.7 61.4 -62.2 -29.2 -26.0 -21.0 16.2 232 4 B S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 105.5 47.0 -64.8 -39.6 -24.9 -18.1 18.4 233 5 B E H > S+ 0 0 79 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.881 109.5 54.5 -65.9 -39.3 -25.8 -20.1 21.5 234 6 B E H X S+ 0 0 38 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.916 111.6 44.0 -61.1 -44.9 -23.9 -23.1 20.0 235 7 B C H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.893 110.8 54.0 -66.3 -41.6 -20.8 -21.0 19.5 236 8 B R H < S+ 0 0 42 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.924 110.1 49.1 -57.9 -45.3 -21.2 -19.4 23.0 237 9 B S H >< S+ 0 0 86 -4,-2.7 3,-1.5 1,-0.2 4,-0.2 0.909 108.7 51.4 -59.5 -46.8 -21.3 -22.9 24.4 238 10 B A H 3< S+ 0 0 50 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.748 112.7 46.6 -62.9 -26.3 -18.2 -24.0 22.4 239 11 B A T >X S+ 0 0 0 -4,-1.6 3,-1.6 -3,-0.3 4,-1.5 0.293 78.1 119.4 -95.7 9.4 -16.3 -20.9 23.8 240 12 B A H <>> + 0 0 21 -3,-1.5 4,-2.9 1,-0.3 5,-0.6 0.828 64.8 61.3 -45.9 -47.5 -17.5 -21.6 27.4 241 13 B E H 3>5S+ 0 0 62 -3,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.875 112.3 36.8 -49.7 -41.1 -14.0 -22.0 28.8 242 14 B W H <>5S+ 0 0 20 -3,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.704 118.6 49.2 -90.9 -19.4 -13.0 -18.5 27.9 243 15 B W H X5S+ 0 0 0 -4,-1.5 4,-1.4 -3,-0.3 3,-0.2 0.930 117.7 38.8 -80.9 -54.5 -16.3 -16.8 28.6 244 16 B E H X5S+ 0 0 107 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.891 112.9 58.9 -58.7 -39.8 -16.7 -18.4 32.0 245 17 B G H << S+ 0 0 0 -4,-0.8 3,-1.1 -3,-0.2 6,-0.2 0.903 99.4 60.1 -63.4 -42.7 -13.6 -14.1 32.0 247 19 B F H 3< S+ 0 0 27 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.784 117.4 31.1 -57.6 -32.9 -16.3 -13.9 34.7 248 20 B V T 3< S+ 0 0 94 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.281 87.0 127.7-111.0 9.1 -13.8 -15.1 37.4 249 21 B H <> - 0 0 1 -3,-1.1 4,-2.6 -4,-0.5 5,-0.3 -0.417 67.6-123.6 -65.6 138.6 -10.6 -13.7 35.9 250 22 B P H > S+ 0 0 43 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.867 110.1 54.4 -56.0 -36.1 -8.7 -11.6 38.5 251 23 B F H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.946 111.0 43.8 -61.6 -48.0 -8.7 -8.5 36.2 252 24 B V H > S+ 0 0 1 -3,-0.3 4,-1.8 -6,-0.2 -1,-0.2 0.911 115.0 49.4 -64.0 -42.0 -12.5 -8.6 35.8 253 25 B Q H X S+ 0 0 71 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.852 106.0 58.1 -64.6 -34.5 -13.1 -9.2 39.5 254 26 B G H X S+ 0 0 3 -4,-2.3 6,-1.6 -5,-0.3 4,-0.9 0.871 106.1 48.2 -65.8 -36.0 -10.7 -6.3 40.3 255 27 B I H < S+ 0 0 0 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.908 113.9 48.4 -65.6 -42.9 -12.9 -3.9 38.3 256 28 B G H < S+ 0 0 0 -4,-1.8 122,-0.3 1,-0.2 -2,-0.2 0.934 120.8 32.0 -66.1 -50.3 -16.0 -5.3 40.1 257 29 B D H < S- 0 0 79 -4,-2.8 123,-0.3 120,-0.1 -1,-0.2 0.522 107.3-125.3 -90.5 -4.2 -14.8 -5.1 43.7 258 30 B G S < S+ 0 0 7 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.479 79.3 112.7 84.1 4.3 -12.6 -2.1 42.9 259 31 B T + 0 0 102 -6,-0.3 -4,-0.2 -5,-0.3 -5,-0.1 0.522 36.7 120.4 -89.8 -6.1 -9.3 -3.5 44.1 260 32 B L S S- 0 0 6 -6,-1.6 5,-0.1 -9,-0.1 2,-0.1 -0.441 76.8-111.0 -62.2 120.9 -7.6 -3.7 40.7 261 33 B P >> - 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0 0 48 -5,-0.5 4,-1.7 1,-0.1 3,-0.8 -0.916 55.3-156.7-118.9 113.7 -17.1 -13.3 3.7 353 125 B F H 3> S+ 0 0 13 -2,-0.6 4,-2.9 -64,-0.5 5,-0.2 0.806 93.3 58.6 -56.0 -37.3 -19.1 -10.9 5.8 354 126 B A H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.886 107.6 47.2 -61.3 -37.6 -20.5 -13.8 8.0 355 127 B E H <> S+ 0 0 22 -3,-0.8 4,-1.1 2,-0.2 -2,-0.2 0.849 113.2 48.2 -73.4 -33.5 -17.0 -14.8 8.9 356 128 B I H >X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 3,-0.5 0.949 112.6 47.9 -68.8 -46.6 -15.9 -11.3 9.7 357 129 B L H >X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.3 3,-0.5 0.897 107.4 56.8 -61.3 -40.5 -19.0 -10.7 11.8 358 130 B A H 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.833 105.9 51.4 -59.6 -33.3 -18.4 -14.0 13.6 359 131 B A H << S+ 0 0 0 -4,-1.1 4,-0.3 -3,-0.5 -1,-0.3 0.764 115.0 41.8 -73.4 -27.9 -15.0 -12.7 14.5 360 132 B L H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 3,-0.7 0.913 88.9 50.5 -61.4 -47.1 -19.4 -10.9 17.8 362 134 B P H 3>>S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.7 0.871 101.9 63.9 -60.1 -32.8 -17.7 -12.1 21.0 363 135 B C H 3>5S+ 0 0 11 -4,-0.3 4,-0.5 -3,-0.2 -2,-0.2 0.904 115.7 30.8 -53.8 -43.3 -16.1 -8.6 21.3 364 136 B Y H < S+ 0 0 0 -4,-3.0 3,-0.9 -5,-0.2 4,-0.4 0.931 110.0 50.7 -63.6 -43.6 -20.7 -6.1 32.3 372 144 B E H >< S+ 0 0 72 -4,-2.9 3,-1.0 19,-0.3 4,-0.4 0.868 106.7 55.2 -61.4 -36.6 -24.2 -7.3 33.2 373 145 B K H 3< S+ 0 0 106 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.727 110.8 45.9 -70.0 -22.6 -22.7 -9.7 35.8 374 146 B L T X< S+ 0 0 8 -4,-1.0 3,-1.5 -3,-0.9 -1,-0.2 0.336 83.8 93.5-102.7 3.6 -20.9 -6.8 37.5 375 147 B L T < S+ 0 0 96 -3,-1.0 -1,-0.1 -4,-0.4 -2,-0.1 0.873 81.9 57.5 -62.2 -40.5 -23.8 -4.3 37.5 376 148 B H T 3 S+ 0 0 149 -4,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.235 95.6 98.8 -69.5 7.9 -24.8 -5.5 41.0 377 149 B X < - 0 0 52 -3,-1.5 -120,-0.1 8,-0.1 -3,-0.1 -0.477 60.0-150.0-102.9 166.2 -21.2 -4.5 42.2 378 150 B D + 0 0 127 -122,-0.3 2,-0.4 -2,-0.2 -122,-0.1 -0.452 18.5 169.1-134.1 85.7 -19.8 -1.6 44.0 379 151 B P - 0 0 3 0, 0.0 2,-1.8 0, 0.0 -121,-0.2 -0.700 38.7-131.1 -83.2 130.0 -16.2 -0.6 43.3 380 152 B G S S+ 0 0 55 -2,-0.4 3,-0.1 -123,-0.3 -123,-0.0 -0.244 77.4 96.7 -83.6 52.7 -15.7 2.8 44.8 381 153 B H > - 0 0 85 -2,-1.8 4,-2.5 -126,-0.1 3,-0.5 -0.954 64.8-149.1-141.8 119.3 -14.1 4.2 41.6 382 154 B P H > S+ 0 0 65 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.852 99.5 60.5 -53.1 -36.2 -15.9 6.1 39.0 383 155 B I H > S+ 0 0 6 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.930 111.0 39.7 -61.9 -43.0 -13.6 4.8 36.3 384 156 B Y H > S+ 0 0 1 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.873 113.5 54.7 -73.1 -36.4 -14.7 1.2 37.1 385 157 B Q H X S+ 0 0 86 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.928 109.3 47.5 -60.7 -44.2 -18.4 2.2 37.6 386 158 B K H X S+ 0 0 90 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.880 110.3 52.6 -67.4 -37.8 -18.4 3.8 34.1 387 159 B W H X S+ 0 0 3 -4,-1.5 4,-1.8 -5,-0.3 5,-0.2 0.947 113.8 42.5 -61.9 -48.8 -16.8 0.8 32.6 388 160 B I H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.878 113.7 53.0 -64.0 -40.2 -19.4 -1.5 34.1 389 161 B G H < S+ 0 0 35 -4,-2.8 4,-0.4 -5,-0.2 -1,-0.2 0.789 108.7 50.3 -67.6 -30.6 -22.2 1.0 33.2 390 162 B T H < S+ 0 0 17 -4,-2.1 6,-0.5 -5,-0.2 3,-0.4 0.978 119.5 31.7 -68.9 -55.9 -21.2 1.1 29.6 391 163 B Y H < S+ 0 0 29 -4,-1.8 -19,-0.3 1,-0.2 -20,-0.2 0.745 123.6 45.4 -81.4 -24.5 -21.0 -2.6 28.8 392 164 B G S < S+ 0 0 6 -4,-2.1 -1,-0.2 -21,-0.4 -3,-0.2 0.520 98.6 105.8 -90.2 -7.6 -23.7 -3.8 31.2 393 165 B G S > S- 0 0 20 -4,-0.4 4,-2.0 -3,-0.4 5,-0.1 -0.139 81.6-112.4 -81.1 169.4 -26.0 -1.0 30.1 394 166 B D H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.857 112.0 56.5 -70.2 -38.6 -29.1 -0.9 27.9 395 167 B W H > S+ 0 0 150 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.940 112.9 40.9 -55.0 -49.8 -27.5 1.0 25.0 396 168 B F H > S+ 0 0 19 -6,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.851 109.4 61.6 -72.4 -30.8 -24.8 -1.5 24.6 397 169 B R H X S+ 0 0 71 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.880 101.5 52.3 -59.3 -36.2 -27.3 -4.3 25.2 398 170 B Q H X S+ 0 0 108 -4,-1.6 4,-2.1 -3,-0.2 -1,-0.2 0.869 109.5 47.8 -75.1 -37.0 -29.2 -3.2 22.0 399 171 B Q H X S+ 0 0 35 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.894 109.9 52.6 -65.1 -43.0 -26.2 -3.3 19.8 400 172 B V H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.915 110.4 49.4 -56.8 -44.1 -25.2 -6.7 21.1 401 173 B E H X S+ 0 0 95 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.900 109.2 50.5 -62.7 -44.9 -28.7 -7.9 20.3 402 174 B E H X S+ 0 0 34 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.963 113.7 46.4 -58.7 -47.5 -28.5 -6.4 16.7 403 175 B Q H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.871 111.3 50.2 -67.5 -36.2 -25.2 -8.2 16.2 404 176 B I H X S+ 0 0 20 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.924 112.9 46.6 -66.3 -44.5 -26.3 -11.6 17.6 405 177 B N H X S+ 0 0 70 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.917 111.1 51.2 -67.4 -43.2 -29.5 -11.6 15.4 406 178 B R H X S+ 0 0 29 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.922 109.7 52.4 -53.5 -43.5 -27.5 -10.6 12.3 407 179 B F H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.916 111.7 44.2 -63.3 -45.5 -25.1 -13.5 13.1 408 180 B D H X S+ 0 0 12 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.857 111.5 53.8 -68.6 -34.6 -27.9 -16.0 13.4 409 181 B E H X S+ 0 0 120 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.960 114.5 41.3 -60.1 -49.9 -29.5 -14.7 10.2 410 182 B L H < S+ 0 0 41 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.916 114.5 52.1 -66.5 -41.4 -26.3 -15.1 8.3 411 183 B A H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.881 99.9 64.3 -61.4 -40.4 -25.5 -18.5 10.0 412 184 B E H 3< S+ 0 0 134 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.835 112.3 31.9 -56.6 -40.9 -29.0 -19.9 9.0 413 185 B N T 3< S+ 0 0 123 -4,-1.0 2,-0.3 -3,-0.4 -1,-0.3 -0.228 97.6 105.8-114.9 44.4 -28.4 -19.7 5.3 414 186 B S S < S- 0 0 28 -3,-1.7 2,-0.0 1,-0.0 -3,-0.0 -0.852 75.7-101.4-111.2 156.7 -24.6 -20.4 5.2 415 187 B T > - 0 0 87 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.356 33.5-108.3 -69.4 160.2 -23.0 -23.6 4.2 416 188 B E H > S+ 0 0 145 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 121.5 55.5 -55.2 -37.1 -21.8 -26.0 6.8 417 189 B E H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.927 110.2 44.6 -66.0 -40.9 -18.2 -25.1 5.8 418 190 B V H > S+ 0 0 23 2,-0.2 4,-2.6 -3,-0.2 -2,-0.2 0.915 111.7 51.6 -71.8 -40.3 -18.9 -21.4 6.4 419 191 B R H X S+ 0 0 48 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.941 107.7 53.8 -59.6 -42.2 -20.7 -22.0 9.7 420 192 B A H X S+ 0 0 59 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.909 111.0 45.7 -59.5 -41.9 -17.7 -24.1 10.8 421 193 B K H X S+ 0 0 84 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.835 110.4 53.8 -68.8 -34.4 -15.4 -21.1 10.1 422 194 B X H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.936 110.9 46.6 -60.8 -45.5 -17.8 -18.7 11.8 423 195 B K H X S+ 0 0 63 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.932 110.5 52.0 -65.8 -43.6 -17.7 -20.9 14.9 424 196 B E H X S+ 0 0 78 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.907 112.6 45.9 -57.8 -42.9 -13.9 -21.2 14.7 425 197 B N H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.896 112.6 49.6 -70.6 -38.2 -13.6 -17.3 14.5 426 198 B F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.948 114.2 45.0 -62.0 -50.6 -16.1 -16.8 17.3 427 199 B V H X S+ 0 0 28 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.926 113.8 50.0 -62.5 -41.8 -14.2 -19.3 19.6 428 200 B I H X S+ 0 0 8 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.915 110.8 48.3 -63.8 -44.0 -10.8 -17.8 18.7 429 201 B S H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.887 109.8 53.6 -61.8 -37.4 -12.0 -14.3 19.4 430 202 B S H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.944 108.3 50.6 -64.7 -44.3 -13.4 -15.5 22.7 431 203 B Y H X S+ 0 0 15 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.938 110.0 49.0 -54.5 -50.6 -10.0 -17.0 23.5 432 204 B Y H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.889 107.2 55.6 -63.1 -34.9 -8.2 -13.7 22.7 433 205 B E H X S+ 0 0 4 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.910 107.7 49.5 -59.4 -42.1 -10.7 -11.8 24.9 434 206 B Y H X S+ 0 0 7 -4,-1.9 4,-1.3 1,-0.2 3,-0.3 0.942 111.8 48.5 -60.3 -45.4 -9.7 -14.1 27.8 435 207 B Q H X S+ 0 0 36 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.806 102.3 64.9 -63.1 -33.4 -6.0 -13.4 27.0 436 208 B F H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.925 99.9 49.5 -59.7 -46.6 -6.6 -9.7 26.9 437 209 B W H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.938 113.5 45.9 -55.8 -49.1 -7.6 -9.6 30.6 438 210 B G H X S+ 0 0 6 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.884 108.4 57.7 -62.3 -38.1 -4.5 -11.5 31.6 439 211 B X H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.4 0.914 111.0 41.8 -57.5 -47.2 -2.4 -9.3 29.3 440 212 B A H <5S+ 0 0 0 -4,-2.1 3,-0.4 3,-0.2 -1,-0.2 0.827 110.4 57.4 -69.9 -35.5 -3.5 -6.2 31.2 441 213 B Y H <5S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 114.9 36.9 -66.7 -34.5 -3.2 -7.9 34.5 442 214 B R T <5S- 0 0 126 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.370 104.2-126.8 -94.7 0.3 0.5 -8.7 33.8 443 215 B K T 5 - 0 0 124 -3,-0.4 -3,-0.2 -4,-0.4 -4,-0.1 0.915 44.1-144.7 54.8 42.2 1.1 -5.3 32.0 444 216 B E < - 0 0 19 -5,-2.6 2,-0.2 -6,-0.2 -1,-0.1 0.068 27.0-179.2 -53.0 142.3 2.5 -7.7 29.4 445 217 B G - 0 0 28 -3,-0.1 -1,-0.1 -111,-0.1 -111,-0.1 -0.698 40.4-102.2-128.5-179.2 5.4 -6.8 27.1 446 218 B W S S+ 0 0 44 -2,-0.2 3,-0.2 1,-0.2 -2,-0.1 0.718 115.4 52.2 -80.9 -23.0 7.3 -8.5 24.3 447 219 B S S S+ 0 0 69 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.812 76.0 110.0 -82.0 -29.8 10.3 -9.6 26.3 448 220 B D 0 0 104 1,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.559 360.0 360.0 -10.8 -74.6 8.3 -11.4 29.1 449 221 B S 0 0 85 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.0 -0.238 360.0 360.0 -74.3 360.0 9.2 -15.0 28.3