==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-MAY-13 4KUX . COMPND 2 MOLECULE: ARISTOLOCHENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS TERREUS; . AUTHOR M.CHEN,J.A.FARALDOS,N.AL-LAMI,M.JANVIER,E.L.D'ANTONIO,D.E.CA . 1216 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 942 77.5 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 . 21 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 749 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.9 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 5 0 3 0 4 4 4 4 4 0 0 5 7 2 6 0 0 0 0 4 0 0 0 0 4 4 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 8 A L 0 0 109 0, 0.0 243,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.2 -67.1 19.8 30.8 2 9 A E - 0 0 171 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.756 360.0-131.6 -88.7 116.4 -67.2 23.4 32.1 3 10 A P - 0 0 33 0, 0.0 3,-0.1 0, 0.0 245,-0.0 -0.465 23.0-116.8 -68.8 138.6 -65.7 25.7 29.5 4 11 A P - 0 0 32 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.269 49.2 -73.0 -66.8 162.6 -63.1 28.1 30.9 5 12 A P - 0 0 127 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.259 50.4-170.3 -59.4 142.0 -63.9 31.8 30.6 6 13 A S - 0 0 45 -3,-0.1 249,-0.0 2,-0.1 0, 0.0 -0.983 25.3-150.8-128.1 145.0 -63.8 33.6 27.3 7 14 A T + 0 0 101 -2,-0.3 2,-0.4 2,-0.1 -1,-0.0 0.412 69.8 106.5 -87.1 -0.3 -64.0 37.3 26.5 8 15 A F - 0 0 12 278,-0.0 -2,-0.1 281,-0.0 250,-0.0 -0.671 60.2-151.7 -84.2 130.1 -65.5 36.5 23.0 9 16 A Q - 0 0 131 -2,-0.4 281,-0.1 2,-0.0 282,-0.1 -0.884 17.0-139.4 -96.8 109.9 -69.3 37.1 22.6 10 17 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 277,-0.1 -0.431 20.0-163.7 -62.9 148.9 -70.7 34.7 20.0 11 18 A L - 0 0 64 42,-0.4 2,-0.4 276,-0.2 46,-0.1 -0.965 5.6-149.2-132.4 150.5 -73.2 36.3 17.5 12 19 A C - 0 0 48 -2,-0.3 41,-0.2 44,-0.1 40,-0.1 -0.944 30.1 -99.8-125.0 140.1 -75.7 34.6 15.2 13 20 A H > - 0 0 2 39,-1.6 3,-1.5 -2,-0.4 44,-0.1 -0.252 30.6-129.3 -54.4 136.5 -77.0 35.8 11.8 14 21 A P T 3 S+ 0 0 101 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.742 104.2 56.6 -70.0 -15.4 -80.4 37.4 12.3 15 22 A L T 3> S+ 0 0 40 1,-0.2 4,-2.7 2,-0.1 5,-0.3 0.175 70.0 117.4 -96.5 21.4 -82.0 35.3 9.5 16 23 A V H <> S+ 0 0 19 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 0.846 72.1 50.8 -60.7 -38.4 -81.0 31.9 10.9 17 24 A E H > S+ 0 0 153 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.963 116.3 39.9 -65.9 -47.6 -84.6 30.7 11.4 18 25 A E H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.925 118.2 46.6 -67.1 -43.8 -85.7 31.4 7.9 19 26 A V H X S+ 0 0 8 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.912 110.7 52.5 -69.0 -38.2 -82.5 30.3 6.2 20 27 A S H X S+ 0 0 19 -4,-2.2 4,-2.5 -5,-0.3 5,-0.4 0.911 110.5 48.9 -60.9 -44.2 -82.3 27.1 8.2 21 28 A K H X S+ 0 0 172 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.954 114.2 45.2 -58.8 -51.1 -85.9 26.2 7.1 22 29 A E H X S+ 0 0 88 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.934 119.4 39.9 -55.7 -52.7 -85.1 27.0 3.4 23 30 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.934 115.6 47.8 -74.4 -45.3 -81.8 25.1 3.3 24 31 A D H X S+ 0 0 21 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.917 112.5 53.4 -55.4 -42.4 -82.8 22.1 5.5 25 32 A G H X S+ 0 0 37 -4,-2.0 4,-1.6 -5,-0.4 -2,-0.2 0.885 107.1 51.1 -62.3 -41.3 -85.9 21.9 3.3 26 33 A Y H X S+ 0 0 46 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.940 112.4 44.9 -60.7 -50.6 -83.8 21.8 0.1 27 34 A F H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.902 108.5 56.7 -62.8 -41.0 -81.6 19.0 1.4 28 35 A L H < S+ 0 0 46 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.845 112.8 43.2 -59.5 -31.8 -84.6 17.0 2.6 29 36 A Q H < S+ 0 0 156 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.897 128.1 25.1 -74.1 -40.3 -86.1 17.1 -0.9 30 37 A H H < S+ 0 0 37 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.851 98.0 84.2-102.2 -38.2 -82.9 16.4 -2.9 31 38 A W S < S- 0 0 21 -4,-2.2 2,-1.0 -5,-0.3 78,-0.0 -0.405 75.5-121.5 -73.1 144.4 -80.3 14.4 -0.8 32 39 A N - 0 0 121 -2,-0.1 -1,-0.1 2,-0.0 -4,-0.1 -0.722 32.6-173.3 -87.8 98.9 -80.5 10.6 -0.5 33 40 A F - 0 0 28 -2,-1.0 3,-0.1 -5,-0.2 6,-0.0 -0.706 26.6-133.8 -91.6 144.2 -80.9 9.7 3.2 34 41 A P S S- 0 0 114 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.760 76.5 -22.6 -71.4 -20.8 -80.8 6.1 4.1 35 42 A N S > S- 0 0 74 1,-0.1 4,-1.6 -3,-0.0 3,-0.2 -0.980 71.9 -82.6-171.2 175.2 -83.9 6.3 6.4 36 43 A E H > S+ 0 0 115 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.838 121.4 59.0 -58.2 -38.5 -86.1 8.4 8.6 37 44 A K H > S+ 0 0 154 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 106.9 47.9 -58.3 -45.8 -83.7 8.3 11.5 38 45 A A H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.853 108.9 53.7 -64.8 -35.6 -81.0 9.8 9.4 39 46 A R H X S+ 0 0 71 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.870 111.3 45.1 -68.6 -36.0 -83.4 12.6 8.1 40 47 A K H X S+ 0 0 142 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.887 111.4 52.6 -72.3 -37.2 -84.3 13.6 11.7 41 48 A K H X S+ 0 0 105 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.869 105.7 56.3 -67.0 -37.6 -80.6 13.4 12.7 42 49 A F H X>S+ 0 0 8 -4,-2.2 4,-0.8 2,-0.2 5,-0.5 0.943 110.0 43.2 -55.5 -51.9 -79.8 15.8 9.8 43 50 A V H ><5S+ 0 0 67 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.907 110.6 57.3 -63.9 -38.2 -82.3 18.4 11.0 44 51 A A H 3<5S+ 0 0 42 -4,-2.4 256,-0.8 1,-0.2 257,-0.3 0.794 95.5 64.7 -63.9 -30.9 -81.1 17.9 14.6 45 52 A A H 3<5S- 0 0 5 -4,-1.6 -1,-0.2 -3,-0.4 256,-0.2 0.858 92.5-145.6 -60.3 -34.1 -77.5 18.8 13.7 46 53 A G T S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.811 107.9 57.3 -72.5 -28.1 -77.4 26.2 8.8 49 56 A R H > S+ 0 0 88 -3,-0.2 4,-1.8 2,-0.2 5,-0.2 0.943 105.5 47.8 -66.6 -45.9 -77.3 27.2 12.5 50 57 A V H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.935 111.9 52.8 -59.3 -39.8 -73.5 26.6 12.7 51 58 A T H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.923 108.2 48.4 -60.8 -45.5 -73.2 28.5 9.4 52 59 A C H < S+ 0 0 0 -4,-2.3 -39,-1.6 1,-0.2 -1,-0.2 0.758 112.5 49.1 -66.6 -27.8 -75.1 31.5 10.9 53 60 A L H < S+ 0 0 1 -4,-1.8 -42,-0.4 -3,-0.3 238,-0.3 0.782 111.8 49.7 -77.5 -32.6 -72.9 31.4 14.0 54 61 A Y H < S+ 0 0 16 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.874 125.5 26.0 -68.7 -39.1 -69.7 31.3 11.9 55 62 A F >< + 0 0 2 -4,-2.2 3,-1.8 -5,-0.2 -1,-0.2 -0.527 67.3 156.5-127.8 63.3 -70.8 34.2 9.7 56 63 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -44,-0.1 0.698 77.4 50.9 -71.1 -15.1 -73.2 36.4 11.7 57 64 A K T 3 S+ 0 0 99 -3,-0.1 3,-0.1 -44,-0.1 -5,-0.0 0.152 78.6 132.7-106.9 19.5 -72.4 39.5 9.6 58 65 A A < - 0 0 6 -3,-1.8 121,-0.3 -6,-0.1 2,-0.1 -0.333 69.5 -94.5 -58.2 147.3 -73.0 37.8 6.2 59 66 A L >> - 0 0 72 119,-2.9 3,-2.0 1,-0.1 4,-1.8 -0.397 33.5-117.7 -62.5 142.2 -75.1 39.9 3.8 60 67 A D T 34 S+ 0 0 103 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.808 113.7 47.2 -55.5 -34.6 -78.8 38.9 4.0 61 68 A D T 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.358 115.8 45.8 -92.8 9.3 -78.9 37.7 0.4 62 69 A R T X> S+ 0 0 25 -3,-2.0 4,-1.2 116,-0.2 3,-1.1 0.648 85.2 82.7-118.3 -23.1 -75.7 35.7 0.7 63 70 A I H 3X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.3 5,-0.2 0.855 86.4 61.2 -56.3 -35.8 -75.9 33.7 3.9 64 71 A H H 3> S+ 0 0 38 -4,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.868 99.2 55.6 -61.2 -36.4 -78.0 31.0 2.2 65 72 A F H <> S+ 0 0 12 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.908 109.7 47.1 -59.7 -44.3 -75.1 30.1 -0.2 66 73 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 5,-0.3 0.911 110.5 51.6 -66.5 -40.7 -72.8 29.6 2.7 67 74 A C H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.897 110.7 48.8 -61.0 -42.5 -75.4 27.4 4.5 68 75 A R H X S+ 0 0 37 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.922 113.1 47.5 -62.1 -44.1 -75.8 25.2 1.4 69 76 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.953 114.1 43.7 -67.0 -47.5 -72.1 24.8 1.0 70 77 A L H X S+ 0 0 16 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.894 113.0 54.9 -67.1 -33.4 -71.3 23.9 4.6 71 78 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.957 109.7 44.5 -62.1 -51.2 -74.3 21.6 4.7 72 79 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.899 113.5 51.8 -62.3 -37.1 -73.2 19.6 1.6 73 80 A L H X S+ 0 0 14 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.894 108.6 50.2 -69.2 -36.4 -69.7 19.4 2.9 74 81 A F H X S+ 0 0 40 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.932 110.2 50.2 -64.5 -44.7 -70.8 18.1 6.3 75 82 A L H X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.926 113.9 45.6 -59.6 -42.1 -72.9 15.4 4.6 76 83 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.928 106.0 59.8 -64.9 -43.9 -69.9 14.4 2.5 77 84 A D H < S+ 0 0 44 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.870 109.5 44.4 -52.0 -37.3 -67.6 14.5 5.6 78 85 A D H >< S+ 0 0 41 -4,-1.8 3,-1.3 1,-0.2 4,-0.3 0.901 108.8 55.4 -75.7 -42.5 -69.8 11.8 7.2 79 86 A L H >< S+ 0 0 63 -4,-1.8 3,-1.5 1,-0.3 -2,-0.2 0.839 99.7 62.0 -57.5 -34.5 -70.1 9.7 4.0 80 87 A L G >< S+ 0 0 15 -4,-2.2 3,-1.6 1,-0.3 -1,-0.3 0.713 87.0 73.4 -66.7 -21.1 -66.3 9.5 3.8 81 88 A E G < S+ 0 0 25 -3,-1.3 141,-2.2 -4,-0.4 145,-0.3 0.721 95.1 51.4 -67.4 -19.4 -66.2 7.7 7.1 82 89 A Y G < S+ 0 0 156 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.3 0.277 104.0 77.4 -96.6 10.1 -67.5 4.5 5.4 83 90 A M S < S- 0 0 34 -3,-1.6 142,-1.1 139,-0.1 141,-0.1 -0.820 79.5-114.6-121.1 153.6 -64.9 4.6 2.7 84 91 A S > - 0 0 24 -2,-0.3 4,-2.5 140,-0.2 5,-0.2 -0.283 42.0-102.8 -67.2 169.1 -61.2 3.8 2.3 85 92 A F H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.893 125.5 49.2 -60.4 -42.7 -58.8 6.6 1.6 86 93 A E H > S+ 0 0 163 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 112.8 45.5 -66.2 -40.4 -58.7 5.5 -2.0 87 94 A E H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 114.1 49.4 -67.8 -40.7 -62.5 5.4 -2.3 88 95 A G H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.876 109.2 51.8 -68.4 -39.7 -63.0 8.7 -0.6 89 96 A S H X S+ 0 0 44 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.916 109.8 48.9 -64.2 -41.5 -60.4 10.3 -2.8 90 97 A A H X S+ 0 0 64 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.899 110.7 51.6 -62.8 -40.4 -62.2 9.1 -5.9 91 98 A Y H X S+ 0 0 52 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.939 114.9 41.2 -61.0 -50.8 -65.5 10.4 -4.5 92 99 A N H >X S+ 0 0 2 -4,-2.4 3,-0.8 1,-0.2 4,-0.7 0.902 110.1 57.0 -66.5 -44.4 -64.1 13.9 -3.9 93 100 A E H >< S+ 0 0 70 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.882 101.2 58.1 -60.6 -30.4 -62.1 14.1 -7.1 94 101 A K H 3X S+ 0 0 116 -4,-1.8 4,-0.7 1,-0.3 -1,-0.3 0.853 104.8 51.8 -64.6 -30.9 -65.3 13.5 -9.1 95 102 A L H >S+ 0 0 41 0, 0.0 5,-2.0 0, 0.0 6,-0.9 0.878 116.7 53.3 -64.2 -31.5 -64.6 19.4 -12.1 98 105 A I H <5S+ 0 0 3 -4,-0.7 3,-0.5 1,-0.2 -2,-0.2 0.907 106.8 51.0 -69.2 -40.4 -68.3 19.6 -11.3 99 106 A S H <5S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.1 0.869 109.1 51.3 -63.1 -39.6 -67.7 22.3 -8.7 100 107 A R H <5S- 0 0 82 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.703 114.3-120.5 -67.8 -20.1 -65.7 24.3 -11.2 101 108 A G T <5S+ 0 0 21 -4,-0.8 -3,-0.2 -3,-0.5 -2,-0.1 0.536 82.4 117.5 90.1 4.9 -68.6 24.0 -13.7 102 109 A D S - 0 0 73 -2,-0.1 3,-2.6 3,-0.1 7,-0.4 -0.801 29.0-147.9 -76.0 109.8 -75.4 13.2 -13.5 107 114 A R T 3 S+ 0 0 132 -2,-0.8 -1,-0.1 1,-0.3 7,-0.0 0.549 93.3 63.0 -63.2 -8.3 -78.9 14.5 -12.5 108 115 A S T 3 S+ 0 0 91 1,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.402 92.8 72.5 -94.4 3.6 -79.8 11.1 -11.0 109 116 A I X> - 0 0 58 -3,-2.6 4,-1.8 1,-0.1 3,-0.9 -0.890 69.6-160.6-119.5 99.7 -76.9 11.6 -8.4 110 117 A P H 3> S+ 0 0 12 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.817 87.7 55.7 -50.8 -40.9 -77.9 14.3 -5.8 111 118 A V H 3> S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.910 110.3 48.6 -62.7 -35.2 -74.4 15.1 -4.6 112 119 A E H <> S+ 0 0 11 -3,-0.9 4,-2.5 -6,-0.2 -1,-0.2 0.958 117.1 37.1 -69.2 -49.9 -73.4 15.8 -8.2 113 120 A Y H X S+ 0 0 32 -4,-1.8 4,-3.2 -7,-0.4 5,-0.3 0.874 114.6 55.4 -77.3 -30.5 -76.2 18.1 -9.1 114 121 A I H X S+ 0 0 2 -4,-2.8 4,-2.2 -5,-0.3 5,-0.2 0.951 113.5 42.7 -60.2 -46.2 -76.4 19.8 -5.7 115 122 A I H X S+ 0 0 2 -4,-1.9 4,-2.3 -5,-0.3 5,-0.3 0.928 116.1 48.4 -66.4 -44.8 -72.8 20.7 -6.0 116 123 A Y H X S+ 0 0 37 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.945 115.3 42.9 -63.2 -48.7 -73.1 21.7 -9.6 117 124 A D H X S+ 0 0 52 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.863 112.1 54.6 -68.2 -36.4 -76.2 23.9 -9.1 118 125 A L H X S+ 0 0 9 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.968 111.6 42.3 -62.0 -53.3 -74.8 25.5 -5.9 119 126 A W H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.871 111.8 55.6 -67.2 -35.4 -71.6 26.7 -7.4 120 127 A E H X S+ 0 0 78 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.955 109.5 47.0 -55.7 -48.6 -73.4 27.8 -10.6 121 128 A S H X S+ 0 0 43 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.825 110.2 53.0 -63.4 -31.8 -75.6 30.0 -8.4 122 129 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 8,-0.2 0.932 110.9 45.7 -70.2 -42.3 -72.7 31.4 -6.4 123 130 A R H < S+ 0 0 21 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.826 108.3 57.0 -68.6 -32.5 -70.9 32.4 -9.6 124 131 A A H < S+ 0 0 88 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.876 113.2 41.9 -65.8 -33.2 -74.1 33.9 -10.9 125 132 A H H < S- 0 0 72 -4,-1.5 -2,-0.2 1,-0.2 2,-0.2 0.921 142.1 -7.5 -79.8 -44.7 -74.2 36.1 -7.7 126 133 A D X - 0 0 28 -4,-2.8 4,-2.7 -5,-0.1 5,-0.3 -0.671 63.7-175.6-155.9 94.2 -70.5 37.1 -7.5 127 134 A R H > S+ 0 0 153 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.914 82.9 48.8 -63.2 -47.1 -68.2 35.4 -9.9 128 135 A E H > S+ 0 0 38 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.918 117.2 39.7 -61.9 -48.5 -65.0 36.8 -8.7 129 136 A M H 4 S+ 0 0 3 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.859 114.2 54.3 -73.0 -32.4 -65.6 36.0 -5.0 130 137 A A H >X S+ 0 0 0 -4,-2.7 3,-1.3 -8,-0.2 4,-0.6 0.913 106.1 53.0 -65.1 -40.1 -67.2 32.6 -5.7 131 138 A D H >X S+ 0 0 57 -4,-2.4 3,-0.8 1,-0.3 4,-0.6 0.804 99.0 63.1 -65.2 -31.1 -64.1 31.6 -7.7 132 139 A E H 3< S+ 0 0 84 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.631 98.2 57.5 -71.3 -13.3 -61.8 32.5 -4.8 133 140 A I H <> S+ 0 0 0 -3,-1.3 4,-1.9 -4,-0.5 -1,-0.2 0.706 89.5 78.1 -86.7 -21.5 -63.5 29.7 -2.7 134 141 A L H S+ 0 0 13 0, 0.0 4,-1.7 0, 0.0 34,-0.5 0.888 109.5 48.6 -61.9 -36.1 -59.5 26.4 -0.8 137 144 A V H X S+ 0 0 2 -4,-1.9 4,-2.9 -3,-0.3 -2,-0.2 0.939 111.8 48.5 -65.7 -44.2 -62.3 23.8 -1.0 138 145 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.885 107.9 54.7 -63.5 -38.8 -60.2 21.5 -3.1 139 146 A L H X S+ 0 0 66 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.909 111.1 46.0 -60.2 -44.9 -57.3 21.8 -0.7 140 147 A F H X S+ 0 0 16 -4,-1.7 4,-1.8 2,-0.2 3,-0.3 0.952 110.5 52.7 -62.0 -49.8 -59.6 20.7 2.1 141 148 A M H X S+ 0 0 2 -4,-2.9 4,-0.5 1,-0.3 -2,-0.2 0.884 109.9 48.8 -54.6 -39.6 -61.1 17.8 0.1 142 149 A R H >< S+ 0 0 104 -4,-2.2 3,-0.6 1,-0.2 -1,-0.3 0.826 107.6 54.8 -76.6 -28.5 -57.7 16.5 -0.6 143 150 A A H >< S+ 0 0 3 -4,-1.5 3,-1.2 -3,-0.3 -1,-0.2 0.845 95.7 69.1 -67.5 -34.8 -56.7 16.7 3.0 144 151 A Q H 3< S+ 0 0 15 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.731 111.6 28.6 -59.1 -27.3 -59.7 14.6 4.1 145 152 A T T << S+ 0 0 18 -3,-0.6 -1,-0.3 -4,-0.5 2,-0.2 0.198 85.4 136.3-120.9 13.5 -58.4 11.4 2.5 146 153 A D X - 0 0 62 -3,-1.2 3,-2.1 -4,-0.2 4,-0.2 -0.458 58.5-132.4 -61.0 127.6 -54.6 12.2 2.8 147 154 A R G > S+ 0 0 143 1,-0.3 3,-2.3 -2,-0.2 -1,-0.1 0.649 97.0 85.7 -62.4 -16.4 -52.8 9.0 4.0 148 155 A T G > S+ 0 0 20 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.730 75.4 73.5 -54.7 -21.6 -51.0 11.1 6.6 149 156 A R G < S+ 0 0 38 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.782 94.4 50.5 -60.5 -29.6 -54.1 10.5 8.7 150 157 A A G < S+ 0 0 50 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.149 98.5 86.0 -96.9 18.2 -52.9 6.9 9.2 151 158 A R S < S- 0 0 155 -3,-1.6 2,-0.0 1,-0.0 -3,-0.0 -0.892 90.5 -98.0-113.6 150.3 -49.4 8.0 10.3 152 159 A P - 0 0 127 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.403 45.1-173.5 -64.5 140.9 -48.4 9.0 13.9 153 160 A M - 0 0 35 -4,-0.1 2,-0.2 -2,-0.0 -4,-0.0 -0.987 17.0-140.8-134.2 144.8 -48.5 12.8 14.4 154 161 A G > - 0 0 27 -2,-0.3 4,-2.6 1,-0.0 5,-0.2 -0.443 42.9 -90.4 -92.2 177.7 -47.4 14.9 17.3 155 162 A L H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 124.3 45.5 -58.4 -48.5 -49.4 18.0 18.4 156 163 A G H > S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 115.4 46.3 -61.6 -44.6 -47.6 20.5 16.2 157 164 A G H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 111.7 52.8 -67.7 -38.1 -47.6 18.3 13.1 158 165 A Y H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.947 107.4 50.4 -61.1 -47.3 -51.3 17.5 13.6 159 166 A L H X S+ 0 0 6 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.868 109.1 51.9 -64.2 -33.4 -52.3 21.2 13.9 160 167 A E H < S+ 0 0 121 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.935 115.2 41.2 -69.8 -43.3 -50.5 22.0 10.7 161 168 A Y H >X S+ 0 0 5 -4,-2.1 4,-1.6 1,-0.2 3,-1.4 0.907 110.4 58.9 -64.8 -42.6 -52.3 19.2 8.8 162 169 A R H 3X S+ 0 0 19 -4,-3.4 4,-2.8 1,-0.3 6,-0.3 0.763 87.6 74.0 -63.9 -25.8 -55.6 20.0 10.6 163 170 A E H 3<>S+ 0 0 57 -4,-1.4 5,-1.7 -3,-0.2 6,-0.5 0.873 107.1 35.9 -55.1 -36.0 -55.6 23.5 9.2 164 171 A R H X45S+ 0 0 77 -3,-1.4 3,-1.3 -4,-0.5 -2,-0.2 0.924 116.8 51.0 -78.3 -47.0 -56.5 21.9 5.8 165 172 A D H 3<5S+ 0 0 13 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.2 0.760 110.1 51.7 -66.7 -25.4 -58.7 19.1 7.1 166 173 A V T 3<5S- 0 0 23 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.577 110.5-123.9 -84.8 -12.7 -60.7 21.6 9.1 167 174 A G T <>5 + 0 0 4 -3,-1.3 4,-2.8 -4,-0.2 5,-0.2 0.803 52.2 157.9 78.0 30.7 -61.2 23.8 6.0 168 175 A K H > S+ 0 0 98 -6,-0.5 4,-2.6 1,-0.2 5,-0.2 0.901 113.6 48.8 -71.0 -41.6 -58.9 28.5 4.2 170 177 A L H > S+ 0 0 5 -34,-0.5 4,-2.7 1,-0.2 5,-0.2 0.919 110.8 52.5 -63.1 -36.9 -62.3 27.7 2.6 171 178 A L H X S+ 0 0 12 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.850 109.3 50.0 -66.2 -32.9 -64.0 29.1 5.7 172 179 A A H X S+ 0 0 3 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.957 114.0 43.4 -69.3 -48.3 -62.0 32.3 5.3 173 180 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.858 115.0 50.3 -65.7 -33.9 -62.9 32.7 1.6 174 181 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.888 108.2 52.8 -72.5 -40.3 -66.5 31.7 2.3 175 182 A M H X S+ 0 0 1 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.936 111.5 46.6 -56.4 -44.2 -66.7 34.3 5.0 176 183 A R H X>S+ 0 0 29 -4,-2.2 5,-2.4 1,-0.2 4,-1.0 0.926 112.5 49.4 -67.9 -44.1 -65.4 37.0 2.6 177 184 A F H ><5S+ 0 0 0 -4,-2.5 3,-0.7 3,-0.2 -1,-0.2 0.933 110.6 50.5 -53.2 -49.9 -67.8 35.9 -0.1 178 185 A S H 3<5S+ 0 0 0 -4,-2.8 -119,-2.9 1,-0.3 -1,-0.2 0.792 118.7 37.1 -68.1 -26.5 -70.8 36.0 2.3 179 186 A M H 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -121,-0.3 -2,-0.2 0.470 105.2-125.1 -97.1 -7.1 -69.9 39.5 3.5 180 187 A G T <<5 + 0 0 32 -4,-1.0 2,-0.8 -3,-0.7 -3,-0.2 0.871 54.9 161.0 60.7 36.0 -68.8 40.7 0.1 181 188 A L < - 0 0 22 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.2 -0.817 22.3-164.3 -95.4 105.4 -65.5 41.6 1.9 182 189 A K - 0 0 110 -2,-0.8 2,-0.4 -3,-0.1 95,-0.1 -0.756 6.4-174.0 -96.7 132.2 -62.7 42.1 -0.7 183 190 A L - 0 0 22 -2,-0.4 -2,-0.0 94,-0.1 -7,-0.0 -0.949 22.1-123.1-123.3 147.6 -59.1 42.1 0.5 184 191 A S > - 0 0 44 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.391 31.8-107.6 -78.1 162.1 -56.0 42.8 -1.6 185 192 A P H > S+ 0 0 109 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.841 123.2 54.6 -61.8 -27.6 -53.2 40.2 -1.7 186 193 A S H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -3,-0.0 0.915 109.2 45.7 -68.1 -44.4 -51.2 42.5 0.5 187 194 A E H > S+ 0 0 31 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.909 113.6 51.0 -62.0 -43.1 -53.9 42.6 3.1 188 195 A L H >< S+ 0 0 53 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.869 109.0 49.8 -62.1 -37.7 -54.3 38.8 2.8 189 196 A Q H >< S+ 0 0 102 -4,-1.9 3,-1.3 1,-0.2 4,-0.2 0.870 103.4 61.5 -73.6 -31.5 -50.6 38.2 3.3 190 197 A R H 3< S+ 0 0 69 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.653 103.6 48.4 -64.3 -24.1 -50.5 40.4 6.4 191 198 A V T S+ 0 0 165 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 0.880 80.6 48.5 -62.0 -39.6 -51.4 34.8 7.8 193 200 A E H > S+ 0 0 89 -4,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.890 111.4 50.8 -70.0 -36.2 -50.2 34.5 11.4 194 201 A I H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.895 111.2 48.9 -66.2 -40.1 -53.6 35.5 12.6 195 202 A D H X S+ 0 0 26 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.909 109.0 51.8 -64.4 -43.3 -55.2 32.9 10.3 196 203 A A H X S+ 0 0 26 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.893 111.6 47.2 -65.7 -37.0 -52.9 30.1 11.5 197 204 A N H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 3,-0.4 0.933 110.6 51.2 -65.2 -47.4 -53.7 30.9 15.1 198 205 A C H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.891 104.9 59.4 -57.6 -40.6 -57.5 30.9 14.5 199 206 A S H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.875 101.4 52.9 -57.0 -43.3 -57.2 27.5 12.7 200 207 A K H X S+ 0 0 28 -4,-1.2 4,-2.6 -3,-0.4 5,-0.3 0.925 110.1 48.1 -60.9 -44.7 -55.8 25.9 15.9 201 208 A H H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.4 0.951 112.9 46.5 -61.5 -51.9 -58.8 27.2 17.9 202 209 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.935 116.3 46.9 -52.4 -48.7 -61.4 26.0 15.4 203 210 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.929 115.8 42.0 -62.5 -50.0 -59.7 22.6 15.1 204 211 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.882 112.8 51.6 -73.7 -38.1 -59.2 22.0 18.8 205 212 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 5,-0.3 0.957 113.0 47.9 -61.2 -46.4 -62.7 23.2 19.9 206 213 A N H X S+ 0 0 19 -4,-2.3 4,-2.8 -5,-0.4 -2,-0.2 0.947 110.9 50.7 -56.7 -45.0 -64.1 20.9 17.3 207 214 A D H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.910 108.6 52.6 -61.0 -41.6 -61.9 18.0 18.5 208 215 A I H < S+ 0 0 1 -4,-2.8 3,-0.4 1,-0.2 4,-0.3 0.953 117.6 34.9 -60.3 -50.7 -63.0 18.5 22.1 209 216 A Y H < S+ 0 0 37 -4,-2.1 4,-0.3 1,-0.2 3,-0.3 0.819 120.3 47.3 -77.4 -28.7 -66.7 18.4 21.3 210 217 A S H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.458 81.7 100.6 -93.5 -0.3 -66.7 15.8 18.5 211 218 A Y H X S+ 0 0 15 -4,-1.0 4,-2.9 -3,-0.4 5,-0.2 0.902 81.5 47.0 -53.2 -49.1 -64.4 13.3 20.3 212 219 A E H > S+ 0 0 89 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.937 113.4 48.4 -63.8 -44.7 -67.2 10.9 21.5 213 220 A K H > S+ 0 0 37 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.944 115.4 45.7 -56.3 -45.1 -68.8 10.8 18.0 214 221 A E H X S+ 0 0 33 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.853 109.4 54.3 -72.3 -34.7 -65.4 10.2 16.4 215 222 A L H X S+ 0 0 35 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.947 110.5 46.9 -59.6 -49.2 -64.4 7.5 18.9 216 223 A Y H X S+ 0 0 156 -4,-2.4 4,-1.0 1,-0.2 3,-0.4 0.919 112.4 49.9 -59.4 -44.3 -67.7 5.7 18.1 217 224 A T H >X S+ 0 0 12 -4,-2.4 4,-3.1 1,-0.2 3,-0.8 0.907 106.0 56.4 -59.4 -41.3 -67.0 6.1 14.4 218 225 A S H 3< S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.6 44.9 -67.1 -25.0 -63.5 4.8 14.8 219 226 A K H 3< S+ 0 0 157 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.609 127.8 24.5 -87.3 -16.4 -64.9 1.6 16.4 220 227 A T H << S+ 0 0 72 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.2 0.602 109.1 62.7-126.4 -19.0 -67.7 1.0 13.9 221 228 A A S < S- 0 0 25 -4,-3.1 -139,-0.2 1,-0.2 2,-0.1 0.072 99.3 -38.6 -99.6-150.5 -66.9 2.6 10.5 222 229 A H > - 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0 0 19 -2,-0.3 4,-2.5 140,-0.2 5,-0.2 -0.300 42.8-102.1 -71.3 170.7 -19.8 21.2 26.1 390 92 B F H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 125.7 50.9 -61.3 -40.9 -21.7 17.9 26.0 391 93 B E H > S+ 0 0 152 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.955 110.8 46.5 -62.5 -50.3 -18.3 16.1 25.6 392 94 B E H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 114.0 49.0 -57.2 -44.2 -16.8 18.0 28.6 393 95 B G H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.905 110.2 50.2 -64.1 -41.4 -19.8 17.2 30.7 394 96 B S H X S+ 0 0 38 -4,-2.5 4,-3.1 -5,-0.2 5,-0.2 0.963 111.8 48.0 -63.3 -45.8 -19.9 13.6 29.8 395 97 B A H X S+ 0 0 54 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.911 111.9 51.3 -58.2 -41.6 -16.1 13.3 30.6 396 98 B Y H X S+ 0 0 41 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.959 115.2 40.8 -63.0 -51.6 -16.8 15.1 34.0 397 99 B N H >X S+ 0 0 2 -4,-2.8 4,-0.8 1,-0.2 3,-0.7 0.900 110.2 57.6 -64.6 -41.0 -19.7 12.7 35.0 398 100 B E H >< S+ 0 0 68 -4,-3.1 3,-0.9 1,-0.3 -1,-0.2 0.880 100.6 57.0 -63.1 -32.7 -18.0 9.6 33.7 399 101 B K H 3X S+ 0 0 100 -4,-1.7 4,-0.8 1,-0.2 -1,-0.3 0.858 105.8 51.8 -65.5 -30.8 -15.0 10.1 36.0 400 102 B L H >S+ 0 0 42 0, 0.0 5,-1.7 0, 0.0 6,-1.1 0.840 116.6 55.1 -65.1 -31.1 -16.4 4.4 39.3 403 105 B I H ><5S+ 0 0 4 -4,-0.8 3,-0.8 4,-0.2 -2,-0.2 0.919 105.8 51.1 -64.8 -44.2 -15.5 6.8 42.2 404 106 B S H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.1 0.871 108.5 52.4 -59.0 -40.0 -19.2 6.6 43.3 405 107 B R H 3<5S- 0 0 83 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.688 113.7-121.7 -66.0 -18.9 -19.0 2.8 43.1 406 108 B G T <<5S+ 0 0 20 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.450 83.6 116.9 84.0 3.1 -15.9 2.9 45.4 407 109 B D S - 0 0 78 1,-0.1 3,-2.3 3,-0.1 7,-0.4 -0.823 28.4-150.2 -78.2 112.9 -7.8 12.5 43.9 412 114 B R T 3 S+ 0 0 130 -2,-0.7 -1,-0.1 1,-0.3 7,-0.0 0.570 91.9 66.0 -71.9 -5.8 -8.0 14.3 47.3 413 115 B S T 3 S+ 0 0 95 1,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.557 93.3 70.0 -83.0 -7.3 -6.8 17.5 45.8 414 116 B I S X> S- 0 0 60 -3,-2.3 4,-1.8 1,-0.1 3,-0.9 -0.911 71.7-158.2-114.0 105.4 -10.1 17.6 43.8 415 117 B P H 3> S+ 0 0 30 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.841 88.3 56.8 -54.7 -43.6 -13.2 18.3 46.0 416 118 B V H 3> S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.873 109.6 47.6 -61.0 -32.7 -15.9 16.8 43.7 417 119 B E H <> S+ 0 0 20 -3,-0.9 4,-2.7 -6,-0.2 -1,-0.2 0.943 116.9 38.9 -73.3 -46.1 -14.0 13.5 43.7 418 120 B Y H X S+ 0 0 34 -4,-1.8 4,-2.7 -7,-0.4 5,-0.3 0.854 115.4 53.2 -78.1 -28.3 -13.4 13.1 47.4 419 121 B I H X S+ 0 0 2 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.950 113.6 43.8 -62.7 -48.8 -16.8 14.5 48.3 420 122 B I H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.944 117.0 46.4 -60.4 -49.4 -18.5 11.9 46.0 421 123 B Y H X S+ 0 0 37 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.953 114.2 45.7 -60.2 -51.6 -16.3 9.1 47.2 422 124 B D H X S+ 0 0 54 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.885 112.1 52.9 -62.5 -39.5 -16.7 9.9 51.0 423 125 B L H X S+ 0 0 9 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.956 111.4 42.9 -60.6 -54.5 -20.4 10.3 50.7 424 126 B W H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.875 113.0 53.8 -64.1 -37.0 -21.1 7.0 49.0 425 127 B E H X S+ 0 0 75 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.923 109.9 49.1 -58.3 -42.5 -18.7 5.1 51.3 426 128 B S H X S+ 0 0 45 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.846 110.7 48.9 -69.0 -34.5 -20.6 6.6 54.3 427 129 B M H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 8,-0.2 0.884 110.9 50.1 -73.0 -39.5 -24.0 5.5 52.8 428 130 B R H < S+ 0 0 28 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.862 108.5 53.4 -63.2 -35.2 -22.8 2.0 52.2 429 131 B A H < S+ 0 0 89 -4,-2.0 3,-0.2 -5,-0.2 -2,-0.2 0.887 113.0 44.2 -66.9 -35.8 -21.5 1.9 55.8 430 132 B H H < S- 0 0 70 -4,-1.6 -2,-0.2 1,-0.2 2,-0.2 0.903 141.2 -6.9 -74.6 -44.1 -24.9 2.9 57.1 431 133 B D X - 0 0 27 -4,-2.6 4,-2.2 1,-0.1 -1,-0.2 -0.674 65.3-173.6-156.3 95.2 -27.0 0.5 54.8 432 134 B R H > S+ 0 0 160 -4,-0.3 4,-2.3 -3,-0.2 5,-0.2 0.926 82.5 46.8 -61.5 -51.8 -25.1 -1.3 52.2 433 135 B E H > S+ 0 0 106 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.911 115.9 43.6 -63.1 -41.4 -27.9 -2.9 50.3 434 136 B M H 4 S+ 0 0 3 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.848 112.3 53.0 -75.9 -30.6 -30.1 0.2 50.0 435 137 B A H >X S+ 0 0 0 -4,-2.2 3,-1.9 -8,-0.2 4,-0.6 0.930 105.6 54.5 -65.9 -43.4 -27.1 2.5 49.1 436 138 B D H >X S+ 0 0 55 -4,-2.3 3,-0.8 1,-0.3 4,-0.5 0.803 99.4 63.2 -61.2 -28.1 -26.2 0.1 46.3 437 139 B E H 3< S+ 0 0 86 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.604 98.2 55.4 -74.7 -12.3 -29.7 0.4 44.9 438 140 B I H <> S+ 0 0 0 -3,-1.9 4,-1.8 -4,-0.3 -1,-0.2 0.674 89.9 80.4 -89.4 -17.8 -29.2 4.2 44.3 439 141 B L H S+ 0 0 16 0, 0.0 4,-1.8 0, 0.0 34,-0.4 0.904 109.1 48.4 -62.4 -33.4 -30.3 5.2 39.0 442 144 B V H X S+ 0 0 0 -4,-1.8 4,-2.7 -3,-0.3 -2,-0.2 0.914 112.1 48.9 -67.4 -38.7 -27.8 8.0 39.6 443 145 B F H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.861 107.9 53.5 -73.8 -32.2 -25.7 6.9 36.6 444 146 B L H X S+ 0 0 65 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.909 111.9 46.5 -63.1 -45.1 -28.7 6.7 34.3 445 147 B F H X S+ 0 0 15 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.943 110.9 51.6 -61.3 -49.1 -29.5 10.3 35.3 446 148 B M H X S+ 0 0 2 -4,-2.7 4,-0.6 1,-0.2 3,-0.2 0.899 109.8 49.8 -57.5 -39.5 -25.9 11.5 34.9 447 149 B R H >< S+ 0 0 105 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.864 107.5 54.1 -73.0 -29.6 -25.8 10.0 31.4 448 150 B A H >< S+ 0 0 3 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.821 96.3 69.3 -67.8 -31.9 -29.0 11.7 30.4 449 151 B Q H 3< S+ 0 0 13 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.769 111.2 28.2 -60.7 -30.2 -27.6 15.1 31.5 450 152 B T T << S+ 0 0 17 -3,-0.7 -1,-0.3 -4,-0.6 -56,-0.2 0.245 85.6 134.3-118.4 13.0 -25.2 15.2 28.6 451 153 B D X - 0 0 66 -3,-1.0 3,-2.1 -4,-0.3 4,-0.2 -0.433 58.9-132.6 -64.3 133.1 -27.0 13.1 26.0 452 154 B R G > S+ 0 0 122 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.641 97.3 85.5 -67.0 -10.7 -27.0 14.8 22.5 453 155 B T G > S+ 0 0 31 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.748 76.8 70.0 -61.2 -19.7 -30.6 14.1 22.3 454 156 B R G < S+ 0 0 40 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.716 95.9 52.6 -64.4 -25.5 -31.0 17.4 24.2 455 157 B A G < S+ 0 0 44 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.311 99.6 78.0 -95.9 10.5 -29.8 19.3 21.1 456 158 B R S < S- 0 0 137 -3,-1.3 -3,-0.0 -4,-0.1 0, 0.0 -0.800 92.9 -83.9-120.1 157.5 -32.4 17.6 18.8 457 159 B P - 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.260 47.6-173.7 -62.2 144.3 -36.1 18.4 18.3 458 160 B M - 0 0 37 -4,-0.1 2,-0.1 4,-0.0 -4,-0.0 -0.993 17.5-142.4-136.2 150.4 -38.6 16.8 20.7 459 161 B G > - 0 0 26 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.420 43.0 -94.0 -92.9 174.7 -42.3 16.5 21.0 460 162 B L H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.942 124.1 46.2 -58.4 -46.7 -44.1 16.6 24.3 461 163 B G H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 113.5 47.2 -61.5 -49.1 -44.2 12.8 24.7 462 164 B G H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.888 112.0 52.6 -60.8 -36.9 -40.6 12.2 23.7 463 165 B Y H X S+ 0 0 0 -4,-2.2 4,-3.6 2,-0.2 5,-0.2 0.962 107.9 49.0 -64.7 -47.7 -39.5 15.0 26.1 464 166 B L H X S+ 0 0 3 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.862 110.8 51.7 -63.6 -34.5 -41.3 13.6 29.1 465 167 B E H < S+ 0 0 110 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.923 116.2 39.2 -64.4 -47.2 -39.8 10.2 28.4 466 168 B Y H >X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 3,-1.6 0.913 111.0 59.5 -68.3 -45.7 -36.3 11.6 28.3 467 169 B R H 3X S+ 0 0 19 -4,-3.6 4,-2.4 1,-0.3 6,-0.3 0.766 89.5 71.1 -59.3 -25.9 -36.9 14.0 31.2 468 170 B E H 3<>S+ 0 0 52 -4,-1.3 5,-1.7 -5,-0.2 6,-0.5 0.873 107.4 38.3 -56.7 -34.9 -37.7 11.1 33.5 469 171 B R H X45S+ 0 0 70 -3,-1.6 3,-1.4 -4,-0.5 -2,-0.2 0.932 115.5 50.4 -81.4 -44.1 -34.0 10.4 33.4 470 172 B D H 3<5S+ 0 0 12 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.2 0.767 109.7 51.9 -68.7 -22.0 -32.7 14.0 33.4 471 173 B V T 3<5S- 0 0 23 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.533 110.7-121.3 -90.8 -6.4 -34.9 14.9 36.4 472 174 B G T <>5 + 0 0 2 -3,-1.4 4,-2.7 -4,-0.2 5,-0.3 0.799 53.1 158.7 74.1 28.7 -33.6 11.9 38.4 473 175 B K H > S+ 0 0 96 -6,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.859 114.7 48.9 -66.1 -38.3 -35.5 6.8 39.7 475 177 B L H > S+ 0 0 4 -34,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.902 110.3 51.9 -69.8 -35.9 -32.6 8.0 41.9 476 178 B L H X S+ 0 0 13 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.884 110.8 49.4 -66.1 -35.5 -35.0 10.2 43.9 477 179 B A H X S+ 0 0 5 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.920 113.8 44.1 -66.6 -45.9 -37.2 7.1 44.4 478 180 B A H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.865 115.0 49.5 -66.7 -34.6 -34.2 4.9 45.5 479 181 B L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.882 108.6 52.7 -71.9 -40.9 -33.0 7.7 47.7 480 182 B M H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 6,-0.3 0.950 111.7 46.9 -56.5 -48.7 -36.4 8.2 49.3 481 183 B R H X>S+ 0 0 26 -4,-2.3 5,-2.5 1,-0.2 4,-0.8 0.945 113.6 46.9 -61.9 -49.0 -36.5 4.5 50.1 482 184 B F H ><5S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.927 110.4 53.4 -54.9 -47.9 -33.0 4.5 51.5 483 185 B S H 3<5S+ 0 0 0 -4,-3.0 -119,-2.5 1,-0.3 -1,-0.2 0.836 117.3 37.5 -61.1 -29.8 -33.7 7.7 53.6 484 186 B M H 3<5S- 0 0 34 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.438 105.5-123.1 -97.5 -5.0 -36.8 6.0 55.1 485 187 B G T <<5 + 0 0 30 -3,-1.1 2,-1.0 -4,-0.8 -3,-0.2 0.793 57.0 160.6 61.1 30.1 -35.3 2.5 55.4 486 188 B L < - 0 0 24 -5,-2.5 2,-0.4 -6,-0.3 -1,-0.2 -0.713 22.3-165.7 -92.7 101.8 -38.3 1.5 53.3 487 189 B K - 0 0 104 -2,-1.0 2,-0.4 -3,-0.1 95,-0.1 -0.722 6.4-175.8 -93.6 128.8 -37.6 -1.9 51.7 488 190 B L - 0 0 20 -2,-0.4 -2,-0.0 94,-0.1 -7,-0.0 -0.958 22.6-123.1-121.8 144.7 -39.8 -3.0 48.8 489 191 B S > - 0 0 48 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.342 31.1-107.0 -78.1 165.8 -39.7 -6.4 47.0 490 192 B P H > S+ 0 0 99 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.897 122.4 52.0 -60.7 -37.8 -39.2 -6.5 43.2 491 193 B S H > S+ 0 0 58 2,-0.2 4,-1.6 1,-0.2 -3,-0.0 0.919 108.3 50.1 -63.2 -40.7 -42.8 -7.5 42.8 492 194 B E H > S+ 0 0 35 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.938 110.8 49.8 -62.5 -43.9 -44.0 -4.5 44.9 493 195 B L H >< S+ 0 0 44 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.894 106.7 55.1 -62.2 -39.7 -42.0 -2.1 42.9 494 196 B Q H >< S+ 0 0 119 -4,-2.1 3,-1.3 1,-0.2 4,-0.3 0.860 100.9 60.9 -60.6 -34.2 -43.4 -3.6 39.7 495 197 B R H 3< S+ 0 0 101 -4,-1.6 -1,-0.2 1,-0.3 3,-0.2 0.757 108.1 42.6 -65.8 -26.0 -46.9 -2.9 40.9 496 198 B V T S+ 0 0 169 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.899 81.8 48.0 -53.2 -42.0 -44.4 1.4 37.9 498 200 B E H > S+ 0 0 94 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.852 110.5 51.7 -69.8 -37.1 -47.3 3.4 36.4 499 201 B I H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 110.2 49.4 -64.6 -43.2 -47.6 5.5 39.5 500 202 B D H X S+ 0 0 23 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.907 110.2 50.9 -60.1 -44.5 -43.8 6.2 39.3 501 203 B A H X S+ 0 0 29 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.902 111.5 46.7 -63.6 -39.4 -44.1 7.2 35.6 502 204 B N H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.904 110.6 53.0 -68.4 -42.0 -47.0 9.6 36.3 503 205 B C H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.894 102.8 59.0 -59.5 -40.2 -45.1 11.2 39.3 504 206 B S H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.905 102.5 52.7 -58.4 -40.2 -42.1 11.8 37.1 505 207 B K H X S+ 0 0 19 -4,-1.3 4,-2.4 1,-0.2 5,-0.2 0.902 110.2 47.7 -62.5 -40.7 -44.1 14.0 34.7 506 208 B H H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.939 113.3 46.6 -68.3 -47.6 -45.4 16.1 37.6 507 209 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.929 116.2 47.1 -57.8 -46.6 -41.9 16.6 39.2 508 210 B S H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.909 115.5 41.9 -60.7 -51.9 -40.4 17.4 35.8 509 211 B V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.896 112.8 52.2 -71.6 -40.7 -43.0 19.9 34.6 510 212 B V H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.3 0.955 112.8 47.0 -59.0 -46.5 -43.4 21.7 38.0 511 213 B N H X S+ 0 0 23 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.948 111.3 52.0 -59.3 -41.5 -39.6 22.1 37.9 512 214 B D H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.914 108.4 50.7 -62.1 -45.3 -39.8 23.3 34.3 513 215 B I H >< S+ 0 0 1 -4,-3.0 3,-0.6 1,-0.2 4,-0.3 0.957 117.9 36.3 -57.2 -50.9 -42.4 25.9 35.0 514 216 B Y H 3< S+ 0 0 38 -4,-2.1 3,-0.3 1,-0.2 4,-0.3 0.827 119.0 48.0 -78.1 -29.1 -40.6 27.5 38.0 515 217 B S H 3X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.430 83.0 100.0 -93.4 4.5 -37.0 27.2 36.6 516 218 B Y H S+ 0 0 97 -3,-0.3 4,-2.0 -4,-0.3 -1,-0.2 0.931 113.7 48.3 -65.2 -40.9 -36.5 32.1 33.7 518 220 B K H > S+ 0 0 38 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.908 114.6 45.7 -57.2 -45.7 -33.3 30.8 35.2 519 221 B E H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.849 109.5 53.9 -72.9 -32.0 -32.8 28.4 32.3 520 222 B L H X S+ 0 0 34 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.932 111.1 46.8 -64.6 -45.4 -33.7 31.0 29.6 521 223 B Y H >X S+ 0 0 154 -4,-2.0 4,-1.1 -5,-0.2 3,-0.5 0.933 112.1 49.8 -66.2 -44.4 -31.0 33.2 31.0 522 224 B T H >X S+ 0 0 12 -4,-2.4 4,-2.9 1,-0.2 3,-0.7 0.896 105.6 57.7 -55.7 -43.0 -28.5 30.4 31.2 523 225 B S H 3< S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.816 110.9 42.7 -62.0 -29.3 -29.3 29.5 27.6 524 226 B K H << S+ 0 0 153 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.664 126.8 28.4 -89.1 -16.8 -28.3 33.0 26.4 525 227 B T H << S+ 0 0 68 -4,-1.1 -2,-0.2 -3,-0.7 -3,-0.2 0.691 110.0 56.3-121.9 -26.2 -25.2 33.4 28.5 526 228 B A S < S- 0 0 22 -4,-2.9 2,-0.2 1,-0.2 -139,-0.2 0.124 104.7 -36.3 -94.6-154.2 -23.6 30.0 29.3 527 229 B H > - 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0 0 55 -3,-1.5 3,-2.2 1,-0.1 4,-0.2 -0.602 57.5-136.8 -77.4 126.7 -36.8 58.9 -24.4 757 154 C R G > S+ 0 0 124 -2,-0.4 3,-2.5 1,-0.3 4,-0.2 0.689 94.9 85.5 -58.8 -18.9 -34.0 58.4 -21.8 758 155 C T G > S+ 0 0 30 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.801 77.9 69.1 -50.4 -27.1 -34.3 62.0 -20.9 759 156 C R G < S+ 0 0 36 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.763 96.3 52.4 -61.2 -27.4 -37.1 60.7 -18.5 760 157 C A G < S+ 0 0 46 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.375 101.8 77.7 -90.5 5.4 -34.4 59.0 -16.5 761 158 C R S < S- 0 0 143 -3,-1.7 -3,-0.0 -4,-0.2 0, 0.0 -0.762 92.3 -84.5-118.9 157.2 -32.4 62.3 -16.1 762 159 C P - 0 0 136 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.293 47.7-179.5 -62.8 145.9 -32.7 65.3 -13.9 763 160 C M - 0 0 41 -4,-0.1 2,-0.2 4,-0.0 3,-0.0 -0.994 20.4-139.5-142.5 143.2 -35.1 68.1 -15.1 764 161 C G > - 0 0 25 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.487 44.0 -91.8 -88.5 172.4 -36.2 71.5 -13.8 765 162 C L H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 126.4 44.4 -50.5 -49.0 -39.8 72.7 -14.1 766 163 C G H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 113.7 47.4 -66.2 -46.7 -39.1 74.4 -17.4 767 164 C G H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 113.3 52.0 -57.5 -43.2 -37.1 71.6 -19.0 768 165 C Y H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.929 107.5 49.4 -61.0 -50.1 -39.8 69.2 -17.8 769 166 C L H X S+ 0 0 6 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.860 109.4 52.9 -59.9 -37.4 -42.8 71.1 -19.3 770 167 C E H < S+ 0 0 120 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.911 115.5 40.1 -64.5 -44.4 -41.0 71.4 -22.7 771 168 C Y H >X S+ 0 0 5 -4,-2.1 4,-1.7 1,-0.2 3,-1.5 0.919 110.9 58.2 -67.7 -44.9 -40.5 67.6 -22.8 772 169 C R H 3X S+ 0 0 18 -4,-3.3 4,-3.0 1,-0.3 6,-0.3 0.771 90.5 71.8 -58.2 -29.1 -43.9 66.8 -21.4 773 170 C E H 3<>S+ 0 0 53 -4,-1.4 5,-1.6 1,-0.2 6,-0.5 0.867 107.3 36.5 -56.4 -35.4 -45.5 68.7 -24.3 774 171 C R H X45S+ 0 0 61 -3,-1.5 3,-1.3 -4,-0.5 -2,-0.2 0.914 116.5 51.5 -80.2 -44.7 -44.5 65.7 -26.4 775 172 C D H 3<5S+ 0 0 11 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.2 0.775 109.3 51.0 -67.9 -27.4 -45.1 63.0 -23.8 776 173 C V T 3<5S- 0 0 27 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.1 0.500 111.0-122.2 -83.0 -8.5 -48.6 64.2 -23.1 777 174 C G T <>5 + 0 0 3 -3,-1.3 4,-2.8 -5,-0.2 5,-0.3 0.808 52.3 159.0 72.5 31.0 -49.5 64.2 -26.9 778 175 C K H > S+ 0 0 92 -6,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.871 113.3 49.1 -65.6 -40.2 -49.9 68.1 -30.8 780 177 C L H > S+ 0 0 4 -34,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.905 110.5 51.7 -68.1 -37.6 -51.7 64.9 -31.7 781 178 C L H X S+ 0 0 12 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.847 110.6 49.8 -63.8 -34.1 -54.6 66.0 -29.5 782 179 C A H X S+ 0 0 5 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.926 114.3 42.0 -70.0 -47.9 -54.8 69.2 -31.4 783 180 C A H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.851 115.9 51.6 -65.1 -36.3 -54.7 67.6 -34.9 784 181 C L H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.915 108.6 50.3 -67.7 -43.4 -57.1 65.0 -33.6 785 182 C M H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 6,-0.3 0.946 112.8 46.5 -55.0 -49.0 -59.5 67.7 -32.3 786 183 C R H X>S+ 0 0 26 -4,-2.3 5,-2.3 1,-0.2 4,-0.7 0.916 113.6 48.4 -62.8 -44.5 -59.3 69.4 -35.7 787 184 C F H ><5S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.951 111.0 51.6 -55.7 -47.7 -59.9 66.1 -37.5 788 185 C S H 3<5S+ 0 0 0 -4,-3.0 -119,-2.6 1,-0.3 -1,-0.2 0.763 117.1 37.6 -68.8 -22.7 -62.8 65.3 -35.3 789 186 C M H 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -121,-0.3 -2,-0.2 0.411 105.5-122.7-101.7 -1.9 -64.5 68.6 -35.9 790 187 C G T <<5 + 0 0 29 -3,-1.2 2,-0.9 -4,-0.7 -3,-0.2 0.795 56.5 161.9 57.3 32.1 -63.6 68.8 -39.6 791 188 C L < - 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0 0 65 119,-2.5 3,-2.0 -2,-0.1 4,-1.9 -0.365 31.6-121.7 -57.7 142.1 -32.3 91.7 25.2 975 67 D D T 34 S+ 0 0 101 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.745 113.9 51.8 -58.8 -26.8 -33.1 95.4 25.6 976 68 D D T 34 S+ 0 0 81 1,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.456 116.0 40.9 -88.0 -4.6 -29.4 96.1 26.0 977 69 D R T X> S+ 0 0 25 -3,-2.0 3,-1.1 116,-0.2 4,-1.0 0.699 88.2 83.7-114.4 -22.6 -28.5 94.3 22.8 978 70 D I H 3X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.3 3,-0.3 0.817 85.2 60.1 -58.0 -40.8 -31.2 95.2 20.2 979 71 D H H 3> S+ 0 0 41 -4,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.876 99.7 58.2 -55.5 -38.7 -29.5 98.5 19.1 980 72 D F H <> S+ 0 0 9 -3,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.931 108.0 46.0 -57.3 -44.2 -26.5 96.4 18.0 981 73 D A H X S+ 0 0 1 -4,-1.0 4,-2.4 -3,-0.3 5,-0.3 0.886 110.4 52.2 -68.6 -40.0 -28.6 94.4 15.7 982 74 D C H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.894 111.7 47.7 -64.4 -40.0 -30.4 97.4 14.2 983 75 D R H X S+ 0 0 39 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.918 111.6 49.5 -64.1 -44.7 -27.0 99.0 13.5 984 76 D L H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.915 116.2 40.9 -65.5 -40.4 -25.6 95.9 11.9 985 77 D L H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.875 112.3 55.6 -77.1 -35.0 -28.6 95.4 9.6 986 78 D T H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.938 112.2 42.7 -61.1 -46.2 -29.0 99.1 8.8 987 79 D V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.837 113.3 51.9 -72.9 -28.7 -25.4 99.3 7.6 988 80 D L H X S+ 0 0 18 -4,-1.5 4,-2.8 -5,-0.2 -1,-0.2 0.916 111.1 48.5 -72.7 -40.4 -25.6 96.0 5.7 989 81 D F H X S+ 0 0 44 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.899 109.8 51.0 -59.2 -46.6 -28.7 97.2 3.9 990 82 D L H X S+ 0 0 17 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.917 113.3 46.0 -63.6 -38.4 -27.1 100.6 3.0 991 83 D I H X S+ 0 0 9 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.917 105.9 60.7 -69.0 -41.0 -24.1 98.7 1.6 992 84 D D H X S+ 0 0 42 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.914 106.4 47.0 -44.1 -54.2 -26.5 96.3 -0.2 993 85 D D H >< S+ 0 0 46 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.880 110.2 51.7 -62.4 -40.1 -27.9 99.2 -2.1 994 86 D L H >< S+ 0 0 74 -4,-1.5 3,-2.1 1,-0.2 -1,-0.2 0.884 100.7 61.8 -63.9 -41.7 -24.5 100.7 -3.0 995 87 D L H >< S+ 0 0 17 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.720 87.6 73.5 -59.5 -21.7 -23.2 97.4 -4.4 996 88 D E T << S+ 0 0 26 -3,-0.8 141,-2.1 -4,-0.7 -1,-0.3 0.701 96.6 51.3 -65.6 -16.6 -26.0 97.5 -7.1 997 89 D Y T < S+ 0 0 139 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.3 0.182 101.3 77.9-107.1 16.0 -23.9 100.2 -8.7 998 90 D M S < S- 0 0 42 -3,-1.8 142,-0.5 139,-0.1 139,-0.1 -0.924 79.9-110.9-124.7 151.7 -20.6 98.4 -8.8 999 91 D S > - 0 0 18 -2,-0.3 4,-2.9 140,-0.2 5,-0.2 -0.219 42.1-104.3 -62.1 165.2 -19.1 95.7 -10.9 1000 92 D F H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.838 126.0 52.2 -59.6 -33.3 -18.6 92.3 -9.2 1001 93 D E H > S+ 0 0 127 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.977 112.9 40.0 -66.0 -58.9 -14.9 93.4 -9.0 1002 94 D E H > S+ 0 0 96 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.921 115.9 52.8 -56.1 -50.7 -15.5 96.9 -7.5 1003 95 D G H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.915 111.0 46.0 -50.9 -50.1 -18.2 95.4 -5.1 1004 96 D S H X S+ 0 0 37 -4,-2.1 4,-3.3 -5,-0.2 -1,-0.2 0.893 112.9 50.0 -62.9 -42.1 -15.8 92.7 -3.9 1005 97 D A H X S+ 0 0 62 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.874 110.0 51.6 -63.2 -39.8 -13.0 95.2 -3.4 1006 98 D Y H X S+ 0 0 58 -4,-2.8 4,-0.8 -5,-0.2 -2,-0.2 0.903 116.4 40.0 -63.1 -44.2 -15.4 97.5 -1.5 1007 99 D N H >X S+ 0 0 3 -4,-2.3 4,-0.8 -5,-0.2 3,-0.6 0.898 109.8 57.5 -72.4 -41.4 -16.4 94.6 0.8 1008 100 D E H >< S+ 0 0 71 -4,-3.3 3,-0.7 1,-0.3 -2,-0.2 0.863 102.9 57.1 -60.7 -34.4 -12.9 93.1 1.1 1009 101 D K H 3X S+ 0 0 130 -4,-1.6 4,-0.6 1,-0.2 -1,-0.3 0.874 105.8 49.2 -61.5 -37.7 -11.7 96.4 2.5 1010 102 D L H S+ 0 0 44 0, 0.0 6,-1.7 0, 0.0 5,-1.3 0.766 116.7 53.8 -68.9 -24.2 -10.2 93.5 8.3 1013 105 D I H ><5S+ 0 0 3 -4,-0.6 3,-1.2 4,-0.2 -2,-0.2 0.855 103.2 55.7 -72.8 -35.9 -11.8 96.6 9.7 1014 106 D S H 3<5S+ 0 0 4 -4,-1.7 -1,-0.2 1,-0.3 -3,-0.1 0.796 108.2 48.0 -69.2 -27.3 -14.8 94.6 11.0 1015 107 D R T 3<5S- 0 0 77 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.372 114.3-117.6 -93.4 4.6 -12.5 92.3 13.0 1016 108 D G T < 5S+ 0 0 22 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.522 84.1 117.8 76.7 4.5 -10.6 95.3 14.4 1017 109 D D S - 0 0 74 3,-0.2 3,-2.8 1,-0.1 7,-0.5 -0.837 30.4-152.5 -81.3 109.0 -10.0 106.0 7.5 1022 114 D R T 3 S+ 0 0 136 -2,-0.9 -1,-0.1 1,-0.3 7,-0.0 0.593 92.1 62.4 -66.9 -10.5 -12.0 108.4 9.7 1023 115 D S T 3 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.0 -2,-0.0 0.438 93.9 71.7 -89.6 -0.5 -12.8 110.6 6.7 1024 116 D I S X> S- 0 0 61 -3,-2.8 4,-1.6 1,-0.2 3,-0.7 -0.881 71.7-161.2-117.3 97.4 -14.6 107.6 5.2 1025 117 D P H 3> S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.806 86.7 55.2 -50.2 -41.8 -17.9 107.1 7.2 1026 118 D V H 3> S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.939 108.6 51.3 -61.7 -38.5 -18.5 103.4 6.1 1027 119 D E H <> S+ 0 0 18 -3,-0.7 4,-2.5 -6,-0.2 -1,-0.2 0.951 116.5 36.6 -64.0 -48.6 -15.1 102.5 7.4 1028 120 D Y H X S+ 0 0 35 -4,-1.6 4,-3.1 -7,-0.5 5,-0.3 0.850 113.6 56.7 -76.3 -31.1 -15.4 104.1 10.9 1029 121 D I H X S+ 0 0 1 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.860 113.9 41.1 -62.8 -35.8 -19.1 103.2 11.3 1030 122 D I H X S+ 0 0 5 -4,-2.0 4,-2.3 -5,-0.3 5,-0.3 0.930 116.3 49.5 -77.7 -45.3 -18.2 99.5 10.7 1031 123 D Y H X S+ 0 0 36 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.925 114.6 43.7 -57.9 -48.8 -15.0 99.8 12.9 1032 124 D D H X S+ 0 0 56 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.851 112.8 53.1 -65.7 -37.6 -16.9 101.5 15.8 1033 125 D L H X S+ 0 0 9 -4,-1.3 4,-2.3 -5,-0.3 -2,-0.2 0.933 110.3 44.4 -67.0 -47.3 -19.9 99.1 15.6 1034 126 D W H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.906 112.3 52.9 -68.4 -39.7 -17.9 95.8 15.8 1035 127 D E H X S+ 0 0 82 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.962 110.3 48.6 -53.3 -52.6 -15.7 97.2 18.6 1036 128 D S H X S+ 0 0 46 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.914 111.8 48.8 -58.0 -44.6 -18.8 98.1 20.6 1037 129 D M H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-1.1 0.928 112.7 46.1 -60.7 -50.5 -20.3 94.6 20.0 1038 130 D R H 3< S+ 0 0 21 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.826 108.6 58.0 -61.1 -34.2 -17.2 92.7 21.0 1039 131 D A H 3< S+ 0 0 89 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.660 110.3 43.9 -70.9 -15.6 -16.9 95.0 24.1 1040 132 D H H << S- 0 0 75 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.770 142.0 -6.9 -95.9 -30.6 -20.4 93.9 25.1 1041 133 D D X - 0 0 26 -4,-1.8 4,-2.3 -5,-0.1 5,-0.3 -0.555 63.8-173.9-167.9 88.6 -19.9 90.1 24.5 1042 134 D R H > S+ 0 0 157 -4,-0.3 4,-1.9 1,-0.2 5,-0.1 0.867 82.5 52.9 -63.4 -38.5 -16.7 89.2 22.8 1043 135 D E H > S+ 0 0 115 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.941 115.4 37.4 -64.9 -49.9 -17.5 85.5 22.3 1044 136 D M H > S+ 0 0 1 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.842 113.9 54.9 -75.2 -35.1 -20.8 86.0 20.6 1045 137 D A H >X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.7 0.894 106.3 53.6 -60.7 -41.8 -19.8 89.0 18.5 1046 138 D D H >X S+ 0 0 50 -4,-1.9 3,-0.5 -5,-0.3 4,-0.5 0.817 100.2 62.3 -64.6 -30.0 -16.9 87.0 17.2 1047 139 D E H 3< S+ 0 0 72 -4,-0.9 3,-0.3 1,-0.2 -1,-0.2 0.823 98.9 54.2 -66.8 -30.9 -19.3 84.3 16.1 1048 140 D I H S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 34,-0.3 0.887 113.9 45.0 -53.2 -39.5 -21.5 84.4 8.7 1052 144 D V H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.924 111.7 49.8 -72.5 -44.6 -21.4 88.0 7.7 1053 145 D F H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.841 110.7 53.7 -59.4 -32.6 -18.2 87.6 5.6 1054 146 D L H X S+ 0 0 66 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.961 110.1 44.6 -64.3 -54.4 -20.0 84.7 4.0 1055 147 D F H X S+ 0 0 15 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.856 111.3 53.8 -61.7 -39.0 -23.0 86.7 3.0 1056 148 D M H X S+ 0 0 14 -4,-2.7 4,-0.8 1,-0.2 3,-0.3 0.884 108.6 48.6 -65.2 -39.4 -20.9 89.6 1.8 1057 149 D R H < S+ 0 0 109 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.822 107.6 56.4 -70.9 -29.5 -18.9 87.3 -0.5 1058 150 D A H < S+ 0 0 3 -4,-1.8 3,-0.4 21,-0.2 -1,-0.2 0.741 98.6 63.0 -69.5 -23.4 -22.2 85.9 -1.8 1059 151 D Q H < S+ 0 0 18 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.838 111.9 33.5 -71.8 -33.1 -23.4 89.4 -2.8 1060 152 D T S < S+ 0 0 17 -4,-0.8 2,-0.3 -3,-0.3 -1,-0.2 0.238 88.1 141.1-106.2 10.9 -20.6 89.9 -5.3 1061 153 D D > - 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