==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 03-DEC-03 1RPW . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR QACR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.S.MURRAY,M.A.SCHUMACHER,R.G.BRENNAN . 744 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 82.4 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 . 22 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 467 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 0 0 4 5 1 0 1 0 0 5 0 2 6 2 1 1 0 0 1 1 2 2 1 0 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 N 0 0 131 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.4 -97.8 -75.0 11.3 2 3 A L >> + 0 0 150 3,-0.1 4,-0.8 2,-0.1 3,-0.7 0.870 360.0 8.8 -83.6 -93.8 -95.4 -76.9 9.0 3 4 A K H >> S+ 0 0 67 1,-0.3 4,-1.6 2,-0.2 2,-1.4 0.906 126.7 59.5 -56.3 -48.4 -93.7 -74.7 6.4 4 5 A D H 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 -0.152 100.1 58.1 -79.0 43.9 -95.0 -71.4 7.8 5 6 A K H <> S+ 0 0 110 -2,-1.4 4,-2.3 -3,-0.7 -1,-0.2 0.439 103.9 47.7-133.8 -38.4 -93.3 -72.0 11.2 6 7 A I H S+ 0 0 40 -5,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.990 112.5 41.4 -64.2 -61.8 -91.1 -67.5 11.1 9 10 A V H X S+ 0 0 26 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.868 115.4 55.6 -54.0 -38.4 -88.2 -68.7 13.2 10 11 A A H >X S+ 0 0 0 -4,-3.7 4,-2.7 2,-0.2 3,-0.9 0.992 105.1 47.5 -57.2 -68.3 -86.0 -68.0 10.3 11 12 A K H 3X S+ 0 0 48 -4,-2.5 4,-1.5 1,-0.3 5,-0.2 0.851 111.0 58.1 -39.7 -41.5 -87.0 -64.3 9.8 12 13 A E H 3X S+ 0 0 104 -4,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.912 111.9 35.9 -57.8 -50.3 -86.4 -64.2 13.6 13 14 A L H > - 0 0 60 -2,-0.4 4,-2.2 1,-0.1 3,-0.6 -0.923 47.9 -98.4-137.4 163.1 -77.8 -71.2 10.0 24 25 A T H 3> S+ 0 0 65 -2,-0.3 4,-3.1 1,-0.3 5,-0.2 0.814 119.4 64.1 -46.6 -36.5 -80.1 -74.1 9.2 25 26 A G H 3> S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.972 108.2 38.6 -53.1 -57.4 -78.7 -75.8 12.3 26 27 A E H <> S+ 0 0 78 -3,-0.6 4,-2.5 1,-0.2 5,-0.3 0.931 114.9 53.7 -58.0 -51.2 -80.2 -73.2 14.6 27 28 A I H X S+ 0 0 2 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.932 109.8 48.4 -49.7 -54.0 -83.4 -72.8 12.5 28 29 A V H >< S+ 0 0 24 -4,-3.1 3,-0.9 2,-0.2 5,-0.4 0.961 112.9 44.8 -53.0 -62.4 -84.1 -76.5 12.7 29 30 A K H >< S+ 0 0 170 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.901 118.3 42.4 -51.8 -49.7 -83.6 -76.9 16.5 30 31 A L H 3< S+ 0 0 95 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.619 119.0 46.5 -74.7 -12.3 -85.5 -73.8 17.5 31 32 A S T << S- 0 0 11 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.021 110.4-127.9-114.3 22.7 -88.2 -74.7 14.9 32 33 A E < + 0 0 147 -3,-1.4 2,-0.2 1,-0.1 -3,-0.2 0.812 66.1 97.3 25.8 88.4 -88.2 -78.4 16.1 33 34 A S - 0 0 59 -5,-0.4 2,-0.2 -27,-0.0 -1,-0.1 -0.860 66.5 -90.6-165.9-161.9 -87.7 -80.3 12.8 34 35 A S > - 0 0 44 -2,-0.2 4,-0.6 -3,-0.1 -3,-0.0 -0.631 32.9-107.8-121.6-177.8 -85.2 -82.1 10.7 35 36 A K T >4 S+ 0 0 160 -2,-0.2 3,-0.9 2,-0.2 -1,-0.1 0.947 111.3 61.2 -77.7 -51.8 -82.9 -81.1 7.8 36 37 A G T 34 S+ 0 0 32 1,-0.3 4,-0.3 3,-0.1 -1,-0.1 0.884 91.8 69.2 -39.0 -55.8 -84.8 -82.9 5.1 37 38 A N T >4 S+ 0 0 86 1,-0.3 2,-3.5 2,-0.1 3,-0.9 0.830 90.1 63.0 -27.6 -63.5 -87.8 -80.8 5.7 38 39 A L T << S+ 0 0 24 -3,-0.9 -1,-0.3 -4,-0.6 10,-0.1 -0.275 93.3 70.5 -66.7 59.8 -86.1 -77.7 4.4 39 40 A Y T 3 S+ 0 0 148 -2,-3.5 -1,-0.2 0, 0.0 -2,-0.1 0.590 82.3 51.4-144.2 -39.3 -85.7 -79.2 0.9 40 41 A Y S < S+ 0 0 190 -3,-0.9 3,-0.2 -4,-0.3 -2,-0.1 0.981 134.9 10.8 -70.2 -57.7 -88.9 -79.5 -1.2 41 42 A H S S+ 0 0 102 -4,-0.4 2,-0.8 1,-0.2 -3,-0.1 0.817 135.9 52.3 -86.9 -35.3 -90.1 -76.0 -0.8 42 43 A F + 0 0 9 -5,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.806 66.3 163.4-105.3 90.8 -86.9 -74.8 0.8 43 44 A K + 0 0 102 -2,-0.8 -1,-0.2 -3,-0.2 -2,-0.1 0.928 62.5 10.2 -67.9 -94.9 -84.0 -75.8 -1.5 44 45 A T S > S- 0 0 66 1,-0.1 4,-1.2 -5,-0.0 3,-0.3 -0.117 80.9-108.8 -76.8 177.0 -80.8 -73.9 -0.6 45 46 A K H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.874 123.7 55.1 -74.9 -38.0 -80.5 -71.7 2.5 46 47 A E H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.510 100.7 63.3 -71.3 -2.6 -80.6 -68.6 0.3 47 48 A N H > S+ 0 0 45 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.930 104.0 43.4 -82.0 -56.0 -83.8 -70.1 -0.9 48 49 A L H X S+ 0 0 4 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.826 120.1 45.7 -56.6 -34.4 -85.5 -69.8 2.5 49 50 A F H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.974 110.3 48.6 -75.7 -55.7 -83.9 -66.3 2.8 50 51 A L H X S+ 0 0 17 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.815 113.5 54.4 -52.3 -30.2 -84.8 -65.1 -0.7 51 52 A E H >X S+ 0 0 49 -4,-2.3 4,-1.8 2,-0.2 3,-0.9 0.999 105.1 48.6 -63.9 -70.4 -88.3 -66.4 0.3 52 53 A I H 3X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.3 5,-0.3 0.825 108.2 56.2 -39.3 -45.3 -88.6 -64.4 3.5 53 54 A L H 3X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -1,-0.3 0.956 106.6 50.0 -55.8 -49.6 -87.5 -61.3 1.7 54 55 A N H X S+ 0 0 80 -4,-3.2 4,-2.4 -5,-0.2 3,-0.5 0.948 115.2 44.4 -52.5 -51.3 -96.4 -57.5 3.6 60 61 A W H 3X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.963 110.8 50.8 -59.2 -55.0 -94.8 -54.1 3.6 61 62 A Q H 3X S+ 0 0 12 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.710 113.9 49.2 -58.0 -18.2 -96.1 -53.0 0.2 62 63 A E H X S+ 0 0 7 -4,-2.4 4,-1.4 -5,-0.2 3,-1.1 0.929 107.8 41.1 -62.0 -49.2 -98.4 -49.2 2.6 65 66 A K H 3X S+ 0 0 110 -4,-1.0 4,-0.7 1,-0.3 3,-0.4 0.920 108.8 59.0 -67.9 -42.5 -101.5 -49.3 0.5 66 67 A K H 3< S+ 0 0 161 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.271 121.5 31.1 -68.9 17.8 -103.7 -50.0 3.6 67 68 A E H X4 S+ 0 0 62 -3,-1.1 3,-0.9 -5,-0.1 -2,-0.3 0.450 94.8 81.4-148.9 -12.4 -102.2 -46.7 4.7 68 69 A Q H >< S+ 0 0 43 -4,-1.4 3,-1.5 -3,-0.4 -3,-0.1 0.662 74.3 81.9 -75.5 -15.0 -101.5 -44.4 1.8 69 70 A I T 3< S+ 0 0 139 -4,-0.7 -1,-0.2 1,-0.3 -3,-0.1 0.838 76.9 72.3 -57.2 -33.0 -105.1 -43.3 1.7 70 71 A K T < S+ 0 0 173 -3,-0.9 2,-0.4 1,-0.1 -1,-0.3 0.246 88.4 74.4 -69.6 18.4 -104.2 -40.9 4.5 71 72 A A < - 0 0 4 -3,-1.5 -1,-0.1 1,-0.1 6,-0.1 -0.923 57.6-173.5-137.2 111.1 -102.4 -38.9 1.8 72 73 A K S S+ 0 0 171 -2,-0.4 2,-0.2 4,-0.0 -1,-0.1 0.913 73.1 41.3 -67.7 -49.0 -104.3 -36.8 -0.7 73 74 A T S > S- 0 0 43 1,-0.1 4,-1.6 65,-0.0 60,-0.1 -0.488 81.1-123.1 -95.9 170.2 -101.4 -35.7 -2.9 74 75 A N H > S+ 0 0 10 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.820 112.4 64.2 -81.1 -31.5 -98.5 -37.7 -4.1 75 76 A R H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.951 107.9 42.6 -53.4 -47.7 -96.2 -35.2 -2.5 76 77 A E H > S+ 0 0 61 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.921 110.5 56.3 -64.4 -43.6 -97.7 -36.3 0.7 77 78 A K H X S+ 0 0 31 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.913 106.4 50.4 -53.6 -47.2 -97.5 -40.0 -0.4 78 79 A F H X S+ 0 0 0 -4,-3.3 4,-2.1 2,-0.2 5,-0.2 0.984 113.6 45.1 -53.4 -62.8 -93.8 -39.6 -0.9 79 80 A Y H X S+ 0 0 37 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.883 114.8 48.4 -46.0 -51.3 -93.3 -38.1 2.6 80 81 A L H X S+ 0 0 34 -4,-3.2 4,-3.2 2,-0.2 5,-0.3 0.902 108.0 52.6 -62.6 -44.5 -95.6 -40.7 4.2 81 82 A Y H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.919 112.9 45.8 -58.0 -44.4 -93.9 -43.7 2.6 82 83 A N H X S+ 0 0 0 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.894 113.7 48.1 -66.8 -41.0 -90.5 -42.5 3.8 83 84 A E H >X S+ 0 0 54 -4,-2.3 3,-1.0 -5,-0.2 4,-0.5 0.953 113.3 47.7 -64.8 -48.2 -91.8 -41.7 7.3 84 85 A L H >X S+ 0 0 30 -4,-3.2 4,-2.3 1,-0.3 3,-1.7 0.860 98.3 69.9 -60.4 -35.9 -93.5 -45.1 7.6 85 86 A S H 3< S+ 0 0 2 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.869 98.0 53.3 -48.6 -38.8 -90.4 -46.8 6.3 86 87 A L H << S+ 0 0 15 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.719 115.4 36.7 -71.2 -23.3 -88.8 -45.9 9.6 87 88 A T H << S+ 0 0 82 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.717 88.0 103.5-107.8 -19.5 -91.6 -47.4 11.7 88 89 A T < - 0 0 21 -4,-2.3 -28,-0.0 1,-0.1 -3,-0.0 0.247 60.2-143.0 -50.0-179.0 -92.7 -50.6 10.0 89 90 A E S S+ 0 0 96 -33,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.144 72.7 98.8-130.5 7.7 -91.7 -54.1 11.2 90 91 A Y S S- 0 0 54 -31,-0.1 2,-3.3 -5,-0.1 -2,-0.1 -0.784 94.3 -34.3-109.4 146.3 -91.5 -55.3 7.6 91 92 A Y S > S+ 0 0 8 -2,-0.3 3,-2.4 1,-0.2 4,-0.2 -0.182 118.7 73.8 51.8 -62.6 -88.7 -55.8 5.2 92 93 A Y G > S+ 0 0 18 -2,-3.3 3,-1.2 1,-0.3 4,-0.3 0.721 84.4 66.0 -52.7 -26.7 -86.6 -52.8 6.4 93 94 A P G 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.446 100.6 54.8 -76.7 5.4 -85.5 -54.7 9.5 94 95 A L G <> S+ 0 0 0 -3,-2.4 4,-3.6 2,-0.1 5,-0.2 0.368 74.0 99.7-115.1 1.3 -83.7 -57.1 7.2 95 96 A Q H <> S+ 0 0 2 -3,-1.2 4,-2.6 2,-0.2 5,-0.2 0.917 85.0 49.5 -55.0 -47.1 -81.6 -54.6 5.3 96 97 A N H > S+ 0 0 12 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.964 114.3 46.5 -57.1 -48.6 -78.5 -55.4 7.4 97 98 A A H > S+ 0 0 4 1,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.918 110.7 51.5 -58.7 -46.6 -79.2 -59.1 6.7 98 99 A I H X S+ 0 0 5 -4,-3.6 4,-3.1 1,-0.2 5,-0.3 0.899 103.8 59.8 -57.8 -41.3 -79.7 -58.5 3.0 99 100 A I H X S+ 0 0 12 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.901 108.0 43.7 -54.5 -47.1 -76.4 -56.6 2.8 100 101 A E H >< S+ 0 0 9 -4,-1.5 3,-0.6 -3,-0.2 -2,-0.2 0.994 112.9 52.8 -60.4 -61.1 -74.4 -59.7 4.1 101 102 A F H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.890 110.9 45.0 -39.9 -60.5 -76.4 -62.0 1.8 102 103 A Y H >< S+ 0 0 22 -4,-3.1 3,-1.2 1,-0.3 -1,-0.3 0.863 109.9 56.6 -57.6 -35.4 -75.7 -60.0 -1.3 103 104 A T T << S+ 0 0 27 -4,-1.9 -1,-0.3 -3,-0.6 -2,-0.2 -0.083 111.9 43.0 -88.1 37.3 -72.0 -59.6 -0.3 104 105 A E T < S+ 0 0 69 -3,-1.3 -1,-0.2 -2,-0.2 -2,-0.2 0.111 121.6 35.6-161.9 16.2 -71.7 -63.4 -0.2 105 106 A Y S < S+ 0 0 70 -3,-1.2 3,-0.4 -5,-0.1 7,-0.2 0.037 80.4 103.7-163.3 25.8 -73.5 -64.4 -3.3 106 107 A Y S S+ 0 0 73 1,-0.2 -3,-0.1 -4,-0.1 -4,-0.1 0.529 73.4 68.7 -90.4 -8.1 -72.7 -61.6 -5.7 107 108 A K S S+ 0 0 172 4,-0.0 2,-0.2 2,-0.0 -1,-0.2 0.467 94.8 68.1 -86.8 -5.0 -70.3 -63.9 -7.4 108 109 A T S > S- 0 0 51 -3,-0.4 4,-0.7 1,-0.1 -3,-0.1 -0.689 72.4-140.4-112.0 166.3 -73.2 -66.1 -8.7 109 110 A N T 4 S+ 0 0 137 -2,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.792 92.8 70.6 -96.6 -33.8 -76.0 -65.3 -11.3 110 111 A S T > S+ 0 0 74 1,-0.2 4,-0.8 2,-0.1 5,-0.2 0.567 104.8 50.9 -61.0 -4.6 -79.1 -66.9 -9.7 111 112 A I H > S+ 0 0 0 2,-0.2 4,-2.4 -6,-0.2 5,-0.4 0.875 97.5 56.9 -96.2 -57.0 -78.7 -64.0 -7.3 112 113 A N H < S+ 0 0 45 -4,-0.7 -2,-0.1 1,-0.2 -1,-0.1 0.384 111.8 52.5 -61.3 8.9 -78.4 -60.9 -9.4 113 114 A E H > S+ 0 0 95 -4,-0.3 4,-2.1 3,-0.1 3,-0.3 0.781 118.8 25.9-107.7 -60.4 -81.8 -62.1 -10.8 114 115 A K H X S+ 0 0 95 -4,-0.8 4,-2.0 2,-0.3 5,-0.3 0.963 123.6 53.6 -68.0 -51.8 -84.0 -62.6 -7.8 115 116 A M H < S+ 0 0 25 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.2 0.571 120.2 36.1 -58.0 -9.4 -82.0 -60.1 -5.8 116 117 A N H > S+ 0 0 60 -5,-0.4 4,-0.5 -3,-0.3 -1,-0.3 0.588 109.6 59.7-116.4 -24.1 -82.8 -57.8 -8.8 117 118 A K H X S+ 0 0 118 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.680 105.5 52.7 -77.9 -17.8 -86.3 -59.0 -9.6 118 119 A L H X S+ 0 0 17 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.668 92.7 74.2 -87.3 -20.4 -87.1 -57.9 -6.0 119 120 A E H > S+ 0 0 25 -5,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.798 92.4 55.1 -61.9 -29.7 -85.7 -54.5 -6.8 120 121 A N H X S+ 0 0 82 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.921 106.5 48.3 -70.3 -43.3 -88.7 -53.8 -8.9 121 122 A K H X S+ 0 0 60 -4,-0.6 4,-0.7 1,-0.2 -2,-0.2 0.859 113.4 51.6 -62.5 -34.1 -91.1 -54.5 -6.0 122 123 A Y H < S+ 0 0 13 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.839 118.9 32.2 -71.9 -39.4 -88.9 -52.3 -3.9 123 124 A I H >X S+ 0 0 10 -4,-2.0 4,-2.1 1,-0.1 3,-0.6 0.598 96.5 87.3 -97.9 -10.9 -88.9 -49.3 -6.2 124 125 A D H >X S+ 0 0 68 -4,-2.0 4,-2.6 1,-0.2 3,-0.5 0.945 82.3 60.1 -50.7 -54.6 -92.4 -49.8 -7.6 125 126 A A H 3X S+ 0 0 4 -4,-0.7 4,-2.0 1,-0.3 -1,-0.2 0.857 109.8 42.7 -41.1 -46.0 -93.9 -47.8 -4.7 126 127 A Y H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.3 -1,-0.3 0.841 109.6 58.0 -73.5 -32.8 -91.8 -44.8 -5.8 127 128 A H H X S+ 0 0 103 -4,-2.9 3,-1.7 -5,-0.2 4,-1.6 0.966 114.2 47.3 -70.0 -52.7 -95.6 -41.3 -12.4 132 133 A E H 3X S+ 0 0 91 -4,-3.2 4,-2.9 1,-0.3 -1,-0.2 0.824 106.5 59.8 -56.6 -34.7 -98.9 -40.4 -10.9 133 134 A G H 3<>S+ 0 0 0 -4,-0.7 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149 A S H X S+ 0 0 0 -4,-4.6 4,-2.9 -5,-0.3 -1,-0.2 0.943 113.8 42.8 -59.1 -47.6 -87.5 -44.0 -8.3 149 150 A K H X S+ 0 0 44 -4,-3.0 4,-2.8 -5,-0.3 5,-0.3 0.938 112.9 51.8 -63.6 -49.2 -84.3 -46.0 -7.9 150 151 A I H X S+ 0 0 1 -4,-3.5 4,-3.0 -5,-0.2 -1,-0.2 0.918 115.0 43.8 -54.6 -44.8 -82.3 -43.0 -6.5 151 152 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.4 0.950 109.8 53.9 -66.1 -51.8 -85.1 -42.4 -3.9 152 153 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.922 117.7 38.7 -51.0 -43.5 -85.6 -46.0 -3.0 153 154 A N H X S+ 0 0 7 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.917 112.3 53.1 -79.0 -39.2 -81.9 -46.2 -2.2 154 155 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.3 3,-0.2 0.981 115.2 44.0 -55.5 -54.2 -81.4 -42.8 -0.6 155 156 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 5,-0.3 0.945 108.4 54.1 -55.9 -54.3 -84.2 -43.6 1.8 156 157 A N H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.4 -1,-0.3 0.897 109.2 54.9 -49.1 -35.8 -83.2 -47.1 2.6 157 158 A G H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.963 107.0 45.6 -61.1 -55.1 -79.9 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0.710 104.8 54.1 -70.0 -17.5 -87.9 -29.6 -4.0 184 185 A G H << S+ 0 0 8 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.617 89.7 76.8 -89.6 -12.8 -85.1 -30.7 -6.3 185 186 A L << 0 0 16 -3,-0.9 -45,-0.4 -4,-0.6 -1,-0.2 0.596 360.0 360.0 -73.6 -11.2 -87.4 -32.4 -8.7 186 187 A S 0 0 101 -3,-0.4 -45,-0.0 -4,-0.3 -47,-0.0 -0.943 360.0 360.0-159.8 360.0 -88.5 -29.1 -10.3 187 !* 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 0.0 188 2 B N > 0 0 153 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 54.6 -43.7 -49.8 16.5 189 3 B L H > + 0 0 56 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.629 360.0 62.8 -81.5 -5.5 -45.2 -53.2 16.9 190 4 B K H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.942 109.2 42.3 -72.8 -48.8 -48.5 -51.5 17.8 191 5 B D H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.890 112.4 53.1 -60.6 -41.2 -48.3 -50.3 14.2 192 6 B K H X S+ 0 0 106 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.889 108.4 51.1 -62.8 -39.7 -47.1 -53.7 13.0 193 7 B I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.949 108.3 50.6 -63.6 -47.9 -50.1 -55.3 14.7 194 8 B L H X S+ 0 0 17 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.945 113.3 47.8 -55.1 -45.8 -52.5 -52.9 13.0 195 9 B G H X S+ 0 0 38 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.959 113.8 43.1 -58.9 -55.3 -50.9 -53.7 9.7 196 10 B V H X S+ 0 0 23 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.925 115.7 51.3 -58.1 -43.1 -50.9 -57.4 10.0 197 11 B A H X S+ 0 0 0 -4,-2.8 4,-3.1 -5,-0.3 5,-0.3 0.944 105.8 53.8 -60.6 -49.9 -54.4 -57.3 11.3 198 12 B K H X S+ 0 0 48 -4,-3.3 4,-2.6 -5,-0.3 -1,-0.2 0.953 113.9 43.4 -49.8 -52.1 -55.7 -55.2 8.5 199 13 B E H X S+ 0 0 110 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.909 112.9 49.6 -61.0 -47.8 -54.3 -57.7 6.0 200 14 B L H X S+ 0 0 19 -4,-3.2 4,-3.5 1,-0.2 5,-0.5 0.951 113.0 48.3 -56.8 -48.6 -55.5 -60.8 7.9 201 15 B F H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.901 113.0 48.8 -56.9 -44.7 -59.0 -59.2 8.1 202 16 B I H < S+ 0 0 48 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.926 116.8 41.2 -62.3 -46.2 -58.9 -58.4 4.4 203 17 B K H < S+ 0 0 165 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.912 136.2 12.7 -71.0 -42.8 -57.8 -61.9 3.5 204 18 B N H X S- 0 0 64 -4,-3.5 4,-0.5 -5,-0.2 -3,-0.2 0.445 102.5-121.0-117.1 0.1 -60.0 -63.9 5.8 205 19 B G H X - 0 0 11 -4,-2.5 4,-0.9 -5,-0.5 -1,-0.2 -0.069 38.1 -65.1 86.3 170.6 -62.6 -61.5 7.1 206 20 B Y H 4 S+ 0 0 4 1,-0.2 3,-0.5 2,-0.2 -1,-0.1 0.959 124.1 45.8 -63.3 -56.6 -63.5 -60.4 10.7 207 21 B N H 4 S+ 0 0 77 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.875 112.6 46.7 -57.7 -45.1 -64.8 -63.6 12.2 208 22 B A H < S+ 0 0 62 -4,-0.5 2,-0.5 -7,-0.1 -1,-0.2 0.710 90.0 94.8 -74.5 -20.6 -62.1 -66.1 11.0 209 23 B T < - 0 0 0 -4,-0.9 2,-0.3 -3,-0.5 -8,-0.0 -0.627 62.7-160.9 -77.1 123.0 -59.2 -63.9 12.0 210 24 B T >> - 0 0 70 -2,-0.5 4,-1.9 1,-0.1 3,-0.6 -0.814 28.5-125.4-105.5 144.4 -58.0 -64.9 15.5 211 25 B T H 3> S+ 0 0 57 -2,-0.3 4,-3.0 1,-0.2 5,-0.1 0.772 111.1 66.6 -59.3 -20.6 -55.8 -62.7 17.7 212 26 B G H 3> S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.962 100.9 44.5 -63.3 -51.3 -53.5 -65.7 17.8 213 27 B E H <> S+ 0 0 68 -3,-0.6 4,-3.2 1,-0.2 5,-0.3 0.958 114.4 51.0 -55.5 -51.1 -52.7 -65.3 14.1 214 28 B I H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 6,-0.3 0.910 109.0 52.0 -53.9 -44.4 -52.3 -61.6 14.6 215 29 B V H ><>S+ 0 0 19 -4,-3.0 5,-2.3 -5,-0.2 3,-0.5 0.983 117.0 35.4 -58.6 -60.1 -50.0 -62.2 17.6 216 30 B K H ><5S+ 0 0 154 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.922 115.9 53.2 -62.2 -46.8 -47.6 -64.6 15.8 217 31 B L H 3<5S+ 0 0 97 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.743 114.8 42.3 -62.9 -21.9 -47.7 -62.9 12.3 218 32 B S T <<5S- 0 0 4 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.387 109.2-125.8-102.9 3.9 -46.8 -59.6 13.9 219 33 B E T < 5S+ 0 0 137 -3,-1.5 -3,-0.2 -4,-0.3 -4,-0.1 0.833 73.8 113.3 55.8 37.0 -44.2 -61.1 16.1 220 34 B S < - 0 0 6 -5,-2.3 2,-0.3 -6,-0.3 -1,-0.1 0.074 61.2-107.0-109.0-139.3 -45.8 -59.6 19.2 221 35 B S > - 0 0 23 1,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.990 22.3-107.0-156.8 160.8 -47.7 -61.2 22.1 222 36 B K H > S+ 0 0 174 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.932 121.7 48.7 -54.0 -44.7 -51.1 -61.8 23.7 223 37 B G H > S+ 0 0 19 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.934 109.9 47.3 -62.6 -50.8 -50.1 -59.3 26.3 224 38 B N H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.922 114.3 49.0 -58.8 -42.4 -48.8 -56.6 24.0 225 39 B L H X>S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 5,-0.6 0.904 112.1 48.9 -62.7 -40.9 -52.0 -57.0 22.0 226 40 B Y H X5S+ 0 0 24 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.915 109.1 52.5 -64.2 -46.0 -54.1 -56.8 25.1 227 41 B Y H <5S+ 0 0 37 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.813 116.1 40.3 -61.1 -31.1 -52.3 -53.7 26.4 228 42 B H H <5S+ 0 0 53 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.793 138.3 2.4 -90.3 -32.2 -52.9 -51.9 23.1 229 43 B F H <5S- 0 0 2 -4,-2.2 2,-3.4 -5,-0.2 5,-0.2 0.465 72.8-148.3-136.0 -5.3 -56.4 -52.8 22.1 230 44 B K S < S- 0 0 56 -2,-3.4 4,-2.3 1,-0.1 5,-0.1 -0.908 80.5-107.8-141.3 170.1 -60.0 -57.0 22.4 232 46 B K H > S+ 0 0 38 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.917 118.0 56.5 -65.2 -40.4 -60.3 -58.0 18.7 233 47 B E H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 109.9 44.4 -56.9 -42.2 -63.3 -55.6 18.4 234 48 B N H > S+ 0 0 47 -5,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 110.0 54.6 -70.9 -40.3 -61.3 -52.8 19.6 235 49 B L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.953 111.5 46.3 -53.5 -51.8 -58.4 -53.7 17.4 236 50 B F H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.931 110.5 50.2 -57.9 -50.7 -60.7 -53.6 14.5 237 51 B L H X S+ 0 0 5 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.840 108.2 56.6 -56.3 -34.6 -62.4 -50.3 15.4 238 52 B E H X S+ 0 0 57 -4,-2.4 4,-2.1 2,-0.2 3,-0.2 0.937 106.3 47.7 -61.5 -51.3 -58.9 -49.0 15.8 239 53 B I H X S+ 0 0 3 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.937 108.0 56.7 -54.4 -51.2 -58.0 -50.0 12.2 240 54 B L H X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.840 106.7 49.1 -52.3 -37.1 -61.3 -48.4 11.0 241 55 B N H X S+ 0 0 39 -4,-1.6 4,-2.9 -3,-0.2 -1,-0.2 0.930 109.9 50.3 -70.9 -40.8 -60.2 -45.1 12.5 242 56 B I H X S+ 0 0 59 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.949 113.2 47.8 -58.2 -47.1 -56.8 -45.3 10.9 243 57 B E H X S+ 0 0 16 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.893 108.3 53.0 -60.3 -42.7 -58.6 -46.0 7.6 244 58 B E H X S+ 0 0 5 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.941 109.2 51.8 -58.9 -44.2 -61.0 -43.1 8.2 245 59 B S H X S+ 0 0 61 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.908 108.8 48.1 -56.8 -48.6 -57.9 -40.9 8.7 246 60 B K H X S+ 0 0 113 -4,-2.3 4,-3.3 1,-0.2 -1,-0.2 0.920 109.6 54.2 -61.0 -41.3 -56.4 -42.0 5.4 247 61 B W H X S+ 0 0 37 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.930 110.4 46.5 -59.5 -43.3 -59.7 -41.4 3.7 248 62 B Q H X S+ 0 0 54 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.969 112.3 49.1 -60.5 -53.2 -59.7 -37.8 5.1 249 63 B E H X S+ 0 0 112 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.932 113.1 48.8 -50.2 -49.6 -56.1 -37.2 4.1 250 64 B Q H X S+ 0 0 117 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.944 111.2 48.9 -56.6 -51.0 -56.9 -38.6 0.6 251 65 B W H X S+ 0 0 9 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.836 105.2 58.9 -58.9 -37.7 -60.0 -36.3 0.3 252 66 B K H < S+ 0 0 148 -4,-2.9 4,-0.3 2,-0.2 -1,-0.2 0.928 112.8 38.8 -59.6 -44.9 -58.0 -33.3 1.4 253 67 B K H >< S+ 0 0 158 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.913 118.7 48.1 -72.0 -41.3 -55.7 -33.8 -1.6 254 68 B E H >< S+ 0 0 64 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.785 99.0 66.1 -70.7 -30.1 -58.5 -34.9 -4.0 255 69 B Q G >< S+ 0 0 41 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.601 81.2 77.5 -71.9 -10.0 -60.9 -32.0 -3.2 256 70 B I G < S+ 0 0 134 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.734 82.2 69.0 -69.8 -19.5 -58.6 -29.4 -4.7 257 71 B K G < S+ 0 0 156 -3,-1.5 2,-0.7 -4,-0.2 -1,-0.3 0.673 91.8 70.7 -70.4 -14.6 -59.8 -30.7 -8.1 258 72 B A < - 0 0 5 -3,-1.5 -1,-0.2 1,-0.2 6,-0.1 -0.858 60.9-176.1-111.6 105.4 -63.1 -29.1 -7.2 259 73 B K + 0 0 186 -2,-0.7 2,-0.2 4,-0.1 -1,-0.2 0.943 69.6 41.9 -60.0 -58.2 -63.2 -25.3 -7.2 260 74 B T S > S- 0 0 45 1,-0.1 4,-1.8 65,-0.0 5,-0.1 -0.525 84.2-120.2 -91.2 160.6 -66.8 -24.6 -6.0 261 75 B N H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.819 112.5 63.6 -70.3 -30.0 -68.5 -26.5 -3.2 262 76 B R H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.954 107.3 45.8 -55.3 -46.2 -71.2 -27.7 -5.5 263 77 B E H > S+ 0 0 86 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.915 107.8 54.6 -61.4 -47.7 -68.4 -29.5 -7.3 264 78 B K H X S+ 0 0 33 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.874 108.0 52.1 -57.3 -35.2 -66.9 -30.9 -4.1 265 79 B F H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.969 111.9 44.3 -65.6 -51.6 -70.4 -32.3 -3.3 266 80 B Y H X S+ 0 0 45 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.910 117.9 46.0 -56.2 -46.2 -70.6 -34.0 -6.7 267 81 B L H X S+ 0 0 29 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.933 108.6 51.5 -66.4 -50.9 -67.1 -35.3 -6.5 268 82 B Y H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.892 110.8 50.1 -56.5 -41.2 -67.0 -36.6 -3.0 269 83 B N H X S+ 0 0 0 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.921 109.0 50.9 -65.0 -43.3 -70.2 -38.7 -3.6 270 84 B E H >X S+ 0 0 62 -4,-1.7 4,-3.1 1,-0.2 3,-0.8 0.955 110.2 51.1 -57.2 -49.8 -68.7 -40.2 -6.8 271 85 B L H 3X S+ 0 0 29 -4,-2.6 4,-2.9 1,-0.3 5,-0.4 0.885 104.9 54.9 -53.9 -45.5 -65.6 -41.1 -4.8 272 86 B S H 3X S+ 0 0 24 -4,-2.2 4,-0.9 2,-0.2 -1,-0.3 0.827 114.6 42.9 -60.8 -29.7 -67.6 -42.8 -2.1 273 87 B L H < S+ 0 0 30 -4,-2.9 3,-1.5 -5,-0.3 -1,-0.2 0.932 105.3 52.5 -68.7 -41.3 -63.8 -46.4 -4.1 276 90 B E H >< S+ 0 0 20 -4,-0.9 3,-1.2 -5,-0.4 -1,-0.2 0.747 92.0 77.6 -67.1 -16.9 -66.0 -48.9 -2.2 277 91 B Y H 3< S+ 0 0 111 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.896 114.7 18.0 -56.5 -34.9 -66.3 -50.8 -5.4 278 92 B Y T << S+ 0 0 169 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 -0.108 86.3 134.6-128.8 37.2 -62.8 -52.1 -4.7 279 93 B Y < - 0 0 63 -3,-1.2 3,-0.4 1,-0.2 4,-0.4 -0.806 42.0-155.3 -88.5 119.8 -62.3 -51.4 -1.0 280 94 B P S > S+ 0 0 62 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.863 90.6 51.8 -62.4 -43.2 -60.7 -54.6 0.5 281 95 B L T >> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.1 3,-1.0 0.740 84.4 95.5 -68.3 -21.4 -61.9 -54.1 4.1 282 96 B Q H 3> S+ 0 0 39 -3,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.816 84.7 45.1 -35.2 -54.2 -65.4 -53.6 2.8 283 97 B N H <> S+ 0 0 72 -3,-0.6 4,-2.1 -4,-0.4 -1,-0.3 0.848 112.7 48.9 -66.4 -36.6 -66.4 -57.2 3.4 284 98 B A H <> S+ 0 0 2 -3,-1.0 4,-2.9 -4,-0.4 -1,-0.2 0.839 109.7 54.6 -71.9 -31.3 -64.8 -57.4 6.9 285 99 B I H X S+ 0 0 39 -4,-2.5 4,-3.9 2,-0.2 5,-0.2 0.959 108.0 47.9 -64.1 -50.6 -66.6 -54.2 7.8 286 100 B I H X S+ 0 0 15 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.935 112.8 49.8 -54.9 -48.5 -70.0 -55.5 6.9 287 101 B E H < S+ 0 0 39 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.974 116.7 40.6 -53.0 -58.4 -69.2 -58.7 8.8 288 102 B F H >< S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.2 4,-0.2 0.907 117.1 48.3 -56.5 -49.9 -68.2 -56.7 11.9 289 103 B Y H >X S+ 0 0 32 -4,-3.9 2,-2.3 1,-0.3 3,-2.2 0.970 108.8 51.1 -57.4 -60.5 -70.9 -54.1 11.6 290 104 B T T 3< S+ 0 0 4 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 -0.160 113.4 49.8 -74.6 45.9 -73.8 -56.5 11.1 291 105 B E T <4 S+ 0 0 48 -2,-2.3 -1,-0.3 -3,-0.8 -2,-0.2 0.264 117.7 31.4-159.6 -4.3 -72.6 -58.3 14.2 292 106 B Y T X4 S+ 0 0 39 -3,-2.2 3,-2.8 -4,-0.2 7,-0.4 0.373 80.3 101.4-140.2 -3.5 -72.2 -55.6 16.8 293 107 B Y T 3< S+ 0 0 50 -4,-1.6 -3,-0.1 1,-0.3 -4,-0.1 0.372 84.0 61.6 -68.7 10.7 -74.8 -53.0 15.9 294 108 B K T 3 S+ 0 0 115 1,-0.1 2,-0.7 -278,-0.0 -1,-0.3 0.377 88.3 79.9-111.9 -5.2 -76.7 -54.6 18.8 295 109 B T <> - 0 0 51 -3,-2.8 4,-4.1 1,-0.1 5,-0.3 -0.904 62.3-161.5-110.8 107.1 -74.0 -53.7 21.3 296 110 B N H > S+ 0 0 135 -2,-0.7 4,-1.8 1,-0.2 5,-0.1 0.792 91.8 63.4 -54.6 -29.4 -74.2 -50.0 22.5 297 111 B S H >> S+ 0 0 78 2,-0.2 4,-1.1 1,-0.2 3,-0.6 0.997 116.7 25.0 -57.1 -67.2 -70.6 -50.4 23.7 298 112 B I H 3> S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.876 119.6 61.1 -64.8 -40.1 -69.3 -51.0 20.1 299 113 B N H 3X S+ 0 0 12 -4,-4.1 4,-0.8 -7,-0.4 -1,-0.2 0.779 98.6 60.1 -59.8 -27.6 -72.2 -49.1 18.6 300 114 B E H XX S+ 0 0 92 -4,-1.8 3,-1.7 -3,-0.6 4,-1.2 0.996 109.3 37.9 -63.4 -63.5 -71.1 -46.0 20.5 301 115 B K H 3X S+ 0 0 87 -4,-1.1 4,-2.2 1,-0.3 5,-0.2 0.819 107.6 67.6 -57.2 -34.2 -67.6 -45.7 19.0 302 116 B M H 3X S+ 0 0 14 -4,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.813 102.6 46.9 -57.4 -29.7 -69.1 -46.8 15.6 303 117 B N H < S+ 0 0 77 -4,-1.4 3,-0.6 -3,-0.3 4,-0.4 0.823 108.3 56.2 -72.0 -28.8 -67.2 -39.3 7.7 310 124 B I H >X S+ 0 0 23 -4,-1.6 4,-2.0 1,-0.2 3,-1.3 0.821 89.5 73.8 -72.5 -29.3 -70.1 -36.9 8.0 311 125 B D H 3X S+ 0 0 92 -4,-1.6 4,-3.3 1,-0.3 5,-0.2 0.844 84.1 68.1 -52.2 -35.1 -67.9 -33.9 8.7 312 126 B A H S+ 0 0 7 -3,-1.3 4,-3.6 -4,-0.4 5,-0.3 0.917 110.2 57.7 -69.6 -47.4 -70.4 -32.9 4.2 314 128 B H H X S+ 0 0 46 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.930 110.2 45.3 -49.9 -48.9 -70.6 -30.5 7.1 315 129 B V H X S+ 0 0 70 -4,-3.3 4,-3.1 2,-0.2 5,-0.3 0.967 112.5 49.4 -60.3 -54.3 -67.6 -28.7 5.8 316 130 B I H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.930 116.1 44.0 -50.5 -47.1 -68.8 -28.6 2.2 317 131 B F H X S+ 0 0 0 -4,-3.6 4,-1.6 2,-0.2 11,-0.2 0.925 112.1 50.6 -67.1 -43.8 -72.2 -27.3 3.3 318 132 B K H X S+ 0 0 115 -4,-3.1 4,-1.7 -5,-0.3 3,-0.4 0.946 114.8 45.1 -57.3 -49.2 -70.7 -24.7 5.7 319 133 B E H < S+ 0 0 73 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.855 105.4 60.3 -63.8 -37.6 -68.5 -23.4 3.0 320 134 B G H ><>S+ 0 0 0 -4,-2.3 5,-2.6 -5,-0.3 6,-1.1 0.849 105.0 51.3 -59.6 -34.5 -71.3 -23.4 0.4 321 135 B N H ><5S+ 0 0 41 -4,-1.6 3,-2.9 -3,-0.4 -2,-0.2 0.985 104.2 54.2 -63.0 -61.2 -73.1 -21.0 2.6 322 136 B L T 3<5S+ 0 0 121 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.355 114.6 44.7 -58.9 7.8 -70.1 -18.6 3.0 323 137 B N T < 5S- 0 0 112 -3,-0.8 -1,-0.3 3,-0.3 -2,-0.2 0.209 109.0-116.8-135.9 9.8 -70.0 -18.5 -0.8 324 138 B G T < 5S+ 0 0 68 -3,-2.9 -3,-0.2 2,-0.3 3,-0.1 0.770 77.1 127.0 58.7 26.8 -73.7 -18.1 -1.7 325 139 B E S > + 0 0 40 1,-0.1 4,-2.1 2,-0.1 3,-0.7 -0.404 62.0 158.6-129.7 57.5 -79.3 -26.6 9.4 331 145 B V H 3> S+ 0 0 18 -3,-0.3 4,-3.1 1,-0.3 5,-0.3 0.921 73.6 53.9 -45.5 -61.6 -75.9 -27.9 8.2 332 146 B N H 3> S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.848 113.1 46.7 -42.9 -41.3 -75.6 -30.7 10.7 333 147 B A H X> S+ 0 0 23 -3,-0.7 4,-2.5 2,-0.2 3,-0.6 0.992 113.2 42.7 -67.2 -65.5 -79.0 -32.0 9.5 334 148 B V H 3X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.3 5,-0.2 0.814 113.9 59.1 -51.8 -29.1 -78.6 -31.8 5.8 335 149 B S H 3X S+ 0 0 1 -4,-3.1 4,-2.2 -5,-0.4 -1,-0.3 0.913 105.9 43.2 -68.4 -44.6 -75.2 -33.3 6.5 336 150 B K H X S+ 0 0 5 -4,-2.2 4,-0.6 -5,-0.2 3,-0.5 0.918 119.0 39.9 -70.8 -43.5 -73.6 -46.9 -2.6 347 161 B T H 3< S+ 0 0 32 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.821 115.4 44.4 -78.2 -37.0 -74.7 -49.9 -0.5 348 162 B F T 3< S+ 0 0 27 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.068 108.2 53.8-105.2 37.8 -78.0 -51.0 -2.1 349 163 B T T X4 + 0 0 1 -3,-0.5 3,-2.0 -4,-0.1 -1,-0.1 0.595 57.0 127.6-135.6 -28.3 -77.2 -50.9 -5.8 350 164 B H T 3< + 0 0 33 -4,-0.6 7,-0.1 1,-0.3 -2,-0.1 0.427 68.6 62.6 1.6 -64.7 -74.0 -53.1 -6.4 351 165 B E T 3 S+ 0 0 44 -236,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.761 80.6 86.3 -46.7 -45.6 -75.6 -55.2 -9.2 352 166 B Q S < S- 0 0 24 -3,-2.0 5,-0.1 1,-0.1 -3,-0.0 -0.248 99.4 -84.6 -57.2 154.2 -76.3 -52.6 -11.8 353 167 B N >> - 0 0 93 1,-0.1 4,-1.8 4,-0.1 3,-0.6 -0.303 41.4-108.9 -63.2 148.1 -73.3 -51.9 -14.1 354 168 B I H 3> S+ 0 0 63 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.727 116.3 51.6 -51.3 -31.4 -70.7 -49.4 -12.7 355 169 B N H 3> S+ 0 0 112 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.911 106.5 54.4 -74.1 -40.6 -71.6 -46.6 -15.2 356 170 B E H <> S+ 0 0 60 -3,-0.6 4,-3.1 2,-0.2 -2,-0.2 0.941 110.3 47.3 -54.0 -50.3 -75.3 -46.8 -14.3 357 171 B R H X S+ 0 0 1 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.964 110.7 49.4 -56.7 -58.3 -74.4 -46.4 -10.6 358 172 B I H X S+ 0 0 31 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.906 113.3 51.1 -48.4 -43.1 -72.1 -43.4 -11.3 359 173 B K H X S+ 0 0 110 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.952 111.0 44.3 -60.5 -53.4 -74.9 -42.0 -13.4 360 174 B L H X S+ 0 0 3 -4,-3.1 4,-3.3 2,-0.2 5,-0.2 0.946 113.1 52.7 -58.2 -48.3 -77.6 -42.4 -10.7 361 175 B M H X S+ 0 0 0 -4,-3.4 4,-3.3 1,-0.3 5,-0.2 0.951 110.8 45.8 -52.9 -53.2 -75.3 -41.0 -8.1 362 176 B N H X S+ 0 0 31 -4,-2.8 4,-1.0 -5,-0.3 -1,-0.3 0.838 111.8 53.0 -59.9 -32.2 -74.6 -37.9 -10.1 363 177 B K H >X S+ 0 0 44 -4,-2.2 4,-2.5 -5,-0.2 3,-0.9 0.959 110.3 47.2 -65.9 -49.9 -78.3 -37.6 -10.8 364 178 B F H 3X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.3 5,-0.4 0.945 107.5 56.1 -54.0 -51.5 -78.9 -37.8 -7.1 365 179 B S H 3X S+ 0 0 0 -4,-3.3 4,-1.1 1,-0.2 -1,-0.3 0.768 111.5 46.4 -53.6 -24.7 -76.1 -35.2 -6.5 366 180 B Q H < S+ 0 0 7 -4,-1.1 3,-0.9 -5,-0.4 -1,-0.2 0.839 110.9 56.8 -56.6 -31.1 -78.2 -29.9 -4.5 370 184 B N H >< S+ 0 0 60 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.889 97.0 59.9 -69.5 -40.5 -81.1 -28.4 -6.4 371 185 B G T 3< S+ 0 0 5 -4,-1.8 -1,-0.3 -3,-0.4 -187,-0.2 0.065 92.5 70.1 -78.3 29.0 -83.6 -28.7 -3.6 372 186 B L T < 0 0 23 -3,-0.9 -45,-0.8 -2,-0.2 -1,-0.2 0.418 360.0 360.0-118.5 -6.7 -81.5 -26.4 -1.4 373 187 B S < 0 0 121 -3,-1.5 -2,-0.2 -4,-0.1 -3,-0.1 0.706 360.0 360.0-113.5 360.0 -82.1 -23.2 -3.4 374 !* 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 0.0 375 2 C N > 0 0 135 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-145.0 -30.0 -16.8 40.7 376 3 C L T >> + 0 0 59 1,-0.2 3,-2.2 2,-0.2 4,-1.7 0.734 360.0 88.3 -66.9 -22.0 -32.3 -19.5 42.1 377 4 C K H 3> S+ 0 0 72 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.797 83.2 55.7 -45.2 -35.4 -32.0 -21.1 38.7 378 5 C D H <> S+ 0 0 98 -3,-1.2 4,-1.6 2,-0.2 -1,-0.3 0.770 102.6 54.6 -72.3 -27.1 -28.9 -23.0 39.9 379 6 C K H <> S+ 0 0 93 -3,-2.2 4,-3.0 -4,-0.3 5,-0.3 0.928 112.3 44.4 -69.5 -47.5 -30.8 -24.4 42.8 380 7 C I H X S+ 0 0 0 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32.7 -70.8 -16.8 -16.6 -45.1 34.5 461 88 C T H < S+ 0 0 80 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.536 86.9 111.3-120.2 -9.3 -15.5 -42.5 37.0 462 89 C T < - 0 0 15 -4,-1.5 -28,-0.1 -5,-0.1 -3,-0.0 -0.325 58.8-143.7 -67.2 148.7 -16.6 -39.1 35.7 463 90 C E S S+ 0 0 120 3,-0.1 2,-0.2 4,-0.0 -1,-0.1 0.619 77.0 84.4 -86.4 -9.8 -19.3 -37.3 37.7 464 91 C Y S S- 0 0 28 -31,-0.1 2,-1.4 2,-0.1 -2,-0.1 -0.577 95.0 -22.4 -99.5 154.8 -20.7 -36.0 34.4 465 92 C Y S > S+ 0 0 16 1,-0.2 3,-3.5 -2,-0.2 4,-0.3 -0.314 112.0 70.1 60.7 -82.5 -23.0 -37.3 31.6 466 93 C Y G > S+ 0 0 7 -2,-1.4 3,-1.0 1,-0.3 4,-0.3 0.685 91.1 64.2 -42.4 -26.2 -23.0 -41.1 31.9 467 94 C P G 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.681 99.0 53.8 -76.5 -14.2 -25.0 -40.9 35.2 468 95 C L G <> S+ 0 0 2 -3,-3.5 4,-2.9 1,-0.2 5,-0.2 0.321 77.5 105.8 -97.7 7.4 -28.0 -39.4 33.5 469 96 C Q H <> S+ 0 0 5 -3,-1.0 4,-2.9 -4,-0.3 -1,-0.2 0.917 76.3 51.7 -52.9 -50.6 -28.1 -42.2 30.9 470 97 C N H > S+ 0 0 20 -4,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.899 113.7 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1,-0.2 -2,-0.1 0.836 92.1 62.0 -51.0 -24.6 -38.0 -38.7 19.2 481 108 C K S S+ 0 0 141 -5,-0.3 2,-0.3 -4,-0.2 -1,-0.2 0.984 87.1 66.5 -59.5 -83.1 -41.5 -38.4 18.0 482 109 C T S > S- 0 0 71 -4,-0.2 4,-1.5 1,-0.2 3,-0.3 -0.182 81.9-149.6 -45.7 98.3 -42.0 -34.7 18.3 483 110 C N H > S+ 0 0 116 -2,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.644 84.6 66.9 -50.3 -22.0 -39.5 -33.7 15.6 484 111 C S H >> S+ 0 0 71 2,-0.2 3,-1.7 1,-0.2 4,-0.8 0.998 106.0 35.7 -63.9 -66.8 -38.6 -30.4 17.4 485 112 C I H 3> S+ 0 0 16 -3,-0.3 4,-2.4 1,-0.3 3,-0.3 0.844 107.2 69.0 -55.4 -38.8 -36.9 -31.7 20.5 486 113 C N H 3X S+ 0 0 29 -4,-1.5 4,-2.4 -7,-0.5 -1,-0.3 0.801 93.7 60.6 -53.0 -29.0 -35.4 -34.6 18.5 487 114 C E H X S+ 0 0 136 -4,-3.1 4,-0.8 -5,-0.2 3,-0.8 0.980 111.0 42.7 -48.7 -64.3 -27.4 -32.1 17.9 492 119 C L H >X S+ 0 0 16 -4,-2.7 3,-2.6 1,-0.2 4,-1.2 0.922 107.9 58.4 -45.9 -61.1 -26.2 -33.0 21.4 493 120 C E H 3X S+ 0 0 39 -4,-2.3 4,-2.1 1,-0.3 5,-0.3 0.816 96.1 63.3 -43.5 -41.2 -25.4 -36.7 20.6 494 121 C N H X S+ 0 0 13 -4,-2.1 4,-1.9 1,-0.1 3,-0.6 0.736 98.7 80.7 -90.6 -25.3 -19.8 -39.3 19.6 498 125 C D H 3X S+ 0 0 62 -4,-1.7 4,-3.2 -5,-0.3 -2,-0.2 0.882 82.0 62.0 -43.2 -56.1 -17.4 -36.6 18.4 499 126 C A H 3X S+ 0 0 5 -4,-1.1 4,-2.9 1,-0.3 -1,-0.2 0.891 108.1 43.1 -39.0 -55.9 -14.7 -37.6 20.8 500 127 C Y H <> S+ 0 0 3 -3,-0.6 4,-2.7 -4,-0.3 5,-0.3 0.891 110.8 55.4 -63.0 -39.1 -14.5 -41.0 19.2 501 128 C H H X S+ 0 0 53 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.953 113.0 43.3 -57.3 -48.8 -14.7 -39.5 15.7 502 129 C V H X>S+ 0 0 58 -4,-3.2 4,-2.1 2,-0.2 5,-0.5 0.987 112.8 49.9 -58.7 -64.3 -11.7 -37.3 16.6 503 130 C I H X5S+ 0 0 3 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.867 117.6 41.6 -43.0 -47.5 -9.6 -40.1 18.3 504 131 C F H X5S+ 0 0 0 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.885 113.1 52.8 -72.7 -38.6 -10.2 -42.4 15.3 505 132 C K H >X5S+ 0 0 115 -4,-2.7 4,-1.8 -5,-0.3 3,-1.6 0.994 113.6 40.8 -58.8 -66.0 -9.7 -39.7 12.7 506 133 C E H 3X5S+ 0 0 79 -4,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.861 106.9 69.0 -49.0 -37.8 -6.3 -38.5 14.0 507 134 C G H 3 + 0 0 81 1,-0.2 4,-1.6 2,-0.1 -1,-0.2 -0.860 67.3 174.2-101.3 111.1 -15.9 -45.9 8.0 518 145 C V H > S+ 0 0 19 -2,-0.8 4,-4.3 -3,-0.2 5,-0.4 0.963 77.0 54.3 -77.9 -58.1 -15.2 -43.8 11.0 519 146 C N H > S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.808 111.0 53.9 -47.7 -28.4 -18.6 -42.4 11.9 520 147 C A H >> S+ 0 0 11 2,-0.2 4,-3.2 3,-0.2 3,-0.6 0.994 114.2 36.0 -67.8 -64.7 -19.6 -46.1 12.0 521 148 C V H 3X S+ 0 0 0 -4,-1.6 4,-3.5 1,-0.3 5,-0.2 0.905 114.2 58.9 -55.6 -43.7 -16.9 -47.2 14.4 522 149 C S H 3X S+ 0 0 2 -4,-4.3 4,-2.1 1,-0.2 -1,-0.3 0.887 113.4 39.1 -53.5 -39.4 -17.2 -43.9 16.3 523 150 C K H < S+ 0 0 7 -4,-3.5 3,-0.5 1,-0.2 -1,-0.2 0.929 116.5 34.7 -64.4 -46.0 -20.6 -48.0 31.6 534 161 C T H 3< S+ 0 0 4 -4,-2.7 3,-0.2 -5,-0.2 -1,-0.2 0.420 110.2 59.6 -95.5 4.7 -24.3 -48.1 32.4 535 162 C F T 3< S+ 0 0 18 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.1 -0.054 106.5 46.7-119.0 32.9 -24.9 -51.9 32.7 536 163 C T < + 0 0 5 -3,-0.5 3,-0.4 3,-0.1 -1,-0.1 0.068 60.5 124.3-157.3 27.9 -22.5 -52.5 35.6 537 164 C H S S+ 0 0 81 -3,-0.2 7,-0.1 1,-0.2 -2,-0.1 0.987 70.3 74.5 -49.7 -60.2 -23.1 -49.6 38.2 538 165 C E S S+ 0 0 51 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.604 90.8 49.0 -10.7 -68.9 -23.7 -52.6 40.5 539 166 C Q S S- 0 0 60 -3,-0.4 -3,-0.1 1,-0.2 5,-0.0 -0.083 99.2 -42.4 -87.7-176.9 -20.1 -53.8 41.1 540 167 C N >> - 0 0 90 1,-0.2 4,-2.9 2,-0.1 3,-1.0 -0.154 41.5-139.4 -46.8 115.5 -16.6 -52.8 42.0 541 168 C I H 3> S+ 0 0 64 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.669 105.7 53.4 -54.3 -16.4 -15.5 -49.6 40.3 542 169 C N H 3> S+ 0 0 105 2,-0.2 4,-1.2 3,-0.1 -1,-0.3 0.815 107.4 47.0 -88.2 -34.8 -12.1 -51.3 39.9 543 170 C E H <> S+ 0 0 58 -3,-1.0 4,-2.9 2,-0.2 3,-0.5 0.933 110.2 56.2 -67.8 -45.0 -13.5 -54.4 38.2 544 171 C R H X S+ 0 0 28 -4,-2.9 4,-2.4 1,-0.3 -2,-0.2 0.933 108.0 46.6 -50.0 -52.7 -15.5 -52.0 36.0 545 172 C I H X S+ 0 0 39 -4,-1.3 4,-1.1 1,-0.2 -1,-0.3 0.783 112.1 52.8 -62.8 -26.7 -12.3 -50.3 34.9 546 173 C K H X S+ 0 0 146 -4,-1.2 4,-1.9 -3,-0.5 3,-0.4 0.944 110.3 43.7 -74.8 -48.4 -10.7 -53.7 34.4 547 174 C L H X S+ 0 0 7 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.885 110.6 59.8 -61.5 -38.5 -13.5 -55.1 32.1 548 175 C M H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.832 106.4 45.0 -61.4 -34.4 -13.4 -51.7 30.4 549 176 C N H X S+ 0 0 38 -4,-1.1 4,-3.0 -3,-0.4 -1,-0.2 0.859 105.7 57.1 -81.8 -32.3 -9.9 -52.1 29.4 550 177 C K H X S+ 0 0 54 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.936 114.0 45.1 -58.7 -41.6 -10.1 -55.7 28.2 551 178 C F H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.992 109.6 51.0 -61.2 -64.5 -12.7 -54.2 25.9 552 179 C S H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.845 117.5 43.8 -41.6 -41.5 -10.8 -51.1 24.9 553 180 C Q H X S+ 0 0 76 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.993 113.4 46.1 -69.2 -64.7 -8.0 -53.5 24.0 554 181 C I H < S+ 0 0 3 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.937 116.2 49.0 -41.2 -58.6 -10.0 -56.2 22.3 555 182 C F H >X S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.2 4,-0.7 0.928 112.8 44.7 -47.7 -60.5 -11.7 -53.5 20.3 556 183 C L H >X S+ 0 0 14 -4,-2.2 3,-0.7 -5,-0.3 4,-0.5 0.843 106.8 59.1 -56.5 -37.1 -8.6 -51.7 19.3 557 184 C N H 3< S+ 0 0 103 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.132 107.2 53.1 -80.4 25.5 -6.8 -54.9 18.4 558 185 C G H <4 S+ 0 0 7 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.542 85.1 77.4-129.4 -22.4 -9.7 -55.3 16.0 559 186 C L H << 0 0 18 -4,-0.7 -45,-0.2 -3,-0.7 -2,-0.1 0.762 360.0 360.0 -64.9 -27.2 -9.8 -52.1 14.0 560 187 C S < 0 0 101 -4,-0.5 -1,-0.2 -47,-0.1 -3,-0.1 0.045 360.0 360.0-134.7 360.0 -6.8 -53.0 11.8 561 !* 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 0.0 562 2 D N >> 0 0 140 0, 0.0 3,-1.9 0, 0.0 4,-1.5 0.000 360.0 360.0 360.0 30.6 -56.7 -64.9 33.1 563 3 D L H 3> + 0 0 59 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.821 360.0 63.8 -46.3 -34.4 -56.5 -61.6 35.1 564 4 D K H 3> S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.893 105.1 44.3 -58.3 -40.5 -53.1 -62.8 36.2 565 5 D D H <> S+ 0 0 96 -3,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.820 108.4 54.5 -75.0 -32.4 -51.9 -62.6 32.6 566 6 D K H X S+ 0 0 57 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.829 108.5 53.2 -69.1 -30.6 -53.5 -59.2 31.8 567 7 D I H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.3 5,-0.2 0.987 110.4 43.9 -64.7 -61.7 -51.5 -57.9 34.8 568 8 D L H X S+ 0 0 19 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.877 115.6 51.6 -50.7 -43.0 -48.2 -59.2 33.6 569 9 D G H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.978 114.5 37.9 -60.2 -62.2 -49.0 -58.0 30.1 570 10 D V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.833 117.0 55.6 -60.7 -31.3 -49.9 -54.4 30.9 571 11 D A H X S+ 0 0 0 -4,-3.0 4,-3.1 -5,-0.3 5,-0.3 0.984 107.0 47.3 -65.1 -56.0 -47.2 -54.4 33.5 572 12 D K H X S+ 0 0 18 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.893 114.7 46.8 -52.6 -44.1 -44.5 -55.4 30.9 573 13 D E H X S+ 0 0 19 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.921 113.2 48.6 -67.5 -41.2 -45.7 -52.7 28.4 574 14 D L H X>S+ 0 0 2 -4,-2.4 4,-3.5 1,-0.2 5,-0.7 0.934 109.6 51.4 -64.9 -44.5 -45.8 -50.0 31.1 575 15 D F H X5S+ 0 0 1 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.903 112.2 48.2 -58.2 -40.7 -42.4 -50.8 32.4 576 16 D I H <5S+ 0 0 54 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.930 118.6 38.6 -64.3 -48.5 -41.0 -50.6 28.9 577 17 D K H <5S+ 0 0 125 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.916 132.9 22.1 -69.5 -45.7 -42.7 -47.3 28.1 578 18 D N H <5S- 0 0 26 -4,-3.5 4,-0.3 1,-0.3 -184,-0.3 0.829 99.0-122.3 -94.6 -39.3 -42.3 -45.6 31.5 579 19 D G << - 0 0 0 -4,-1.4 -1,-0.3 -5,-0.7 4,-0.1 -0.646 40.6 -70.2 115.7-177.3 -39.4 -47.2 33.3 580 20 D Y S > S+ 0 0 3 -2,-0.2 3,-0.8 77,-0.2 -1,-0.1 0.913 125.1 45.1 -81.4 -46.5 -39.6 -48.9 36.7 581 21 D N T 3 S+ 0 0 29 -190,-0.2 -2,-0.1 1,-0.2 -1,-0.1 0.972 111.4 50.6 -63.3 -54.0 -40.1 -46.0 39.1 582 22 D A T 3 S+ 0 0 22 -4,-0.3 2,-0.9 -191,-0.3 -1,-0.2 0.499 90.7 91.7 -65.3 -2.8 -42.8 -44.1 37.1 583 23 D T < - 0 0 0 -3,-0.8 2,-0.2 -4,-0.1 -1,-0.1 -0.823 64.7-163.5 -99.4 106.8 -44.9 -47.3 36.7 584 24 D T > - 0 0 70 -2,-0.9 4,-1.8 1,-0.1 5,-0.1 -0.585 28.0-126.8 -90.2 152.1 -47.3 -47.5 39.6 585 25 D T H > S+ 0 0 13 1,-0.2 4,-2.2 -2,-0.2 -1,-0.1 0.817 112.1 56.1 -63.6 -29.6 -49.3 -50.5 40.6 586 26 D G H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 104.7 50.6 -68.3 -42.7 -52.5 -48.5 40.3 587 27 D E H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.876 110.1 50.9 -61.1 -41.5 -51.8 -47.6 36.7 588 28 D I H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.975 109.1 51.6 -59.0 -56.2 -51.2 -51.3 35.9 589 29 D V H <>S+ 0 0 14 -4,-2.2 5,-2.2 1,-0.2 3,-0.5 0.866 108.7 50.2 -49.3 -48.1 -54.4 -52.2 37.6 590 30 D K H ><5S+ 0 0 163 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.968 110.9 46.0 -58.1 -58.3 -56.5 -49.7 35.6 591 31 D L H 3<5S+ 0 0 56 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.595 113.2 52.4 -62.5 -12.9 -55.2 -50.6 32.1 592 32 D S T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.240 109.9-122.0-106.7 12.5 -55.7 -54.3 32.9 593 33 D E T < 5S+ 0 0 115 -3,-2.2 -3,-0.2 1,-0.2 2,-0.2 0.936 75.8 111.6 44.6 58.3 -59.3 -53.9 34.1 594 34 D S < - 0 0 30 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.547 66.2 -98.3-136.3-160.7 -58.4 -55.3 37.5 595 35 D S > - 0 0 56 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.979 20.8-125.1-134.3 145.6 -58.1 -54.2 41.1 596 36 D K H > S+ 0 0 115 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.909 117.1 52.3 -53.5 -40.9 -55.1 -53.2 43.2 597 37 D G H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.957 107.0 50.2 -59.6 -51.6 -56.3 -56.0 45.6 598 38 D N H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 112.1 48.0 -54.2 -44.4 -56.4 -58.6 42.8 599 39 D L H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.949 110.6 51.2 -61.6 -49.8 -52.9 -57.7 41.7 600 40 D Y H < S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.809 109.6 50.9 -58.0 -34.5 -51.5 -57.8 45.3 601 41 D Y H < S+ 0 0 184 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.956 115.1 41.1 -67.3 -52.0 -53.1 -61.2 45.8 602 42 D H H < S+ 0 0 65 -4,-2.2 2,-0.4 1,-0.2 -2,-0.2 0.892 130.6 23.8 -63.0 -44.8 -51.5 -62.7 42.6 603 43 D F S < S- 0 0 0 -4,-3.2 -1,-0.2 -5,-0.2 6,-0.1 -0.989 78.2-135.8-125.1 133.5 -48.1 -61.0 43.1 604 44 D K S S- 0 0 154 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.931 78.8 -16.3 -52.5 -54.0 -47.0 -59.9 46.5 605 45 D T S > S- 0 0 56 1,-0.1 4,-2.6 -6,-0.0 5,-0.1 -0.853 71.7 -93.6-144.0 177.3 -45.7 -56.5 45.5 606 46 D K H > S+ 0 0 40 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.935 124.4 52.8 -62.6 -46.0 -44.7 -54.5 42.4 607 47 D E H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 111.0 45.7 -54.7 -50.6 -41.1 -55.5 42.9 608 48 D N H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.928 112.7 51.7 -59.8 -44.8 -42.1 -59.2 43.0 609 49 D L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.4 0.928 110.4 48.2 -56.3 -47.4 -44.3 -58.7 40.0 610 50 D F H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.829 107.3 56.3 -64.2 -32.6 -41.4 -57.0 38.1 611 51 D L H X S+ 0 0 7 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.813 106.9 49.2 -70.9 -29.1 -39.2 -59.9 39.0 612 52 D E H X S+ 0 0 57 -4,-1.6 4,-2.4 -3,-0.4 -2,-0.2 0.882 106.3 54.7 -75.5 -39.3 -41.5 -62.4 37.5 613 53 D I H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.878 108.4 53.2 -59.1 -34.6 -41.8 -60.4 34.3 614 54 D L H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.879 105.7 50.8 -68.7 -39.0 -38.0 -60.7 34.3 615 55 D N H X S+ 0 0 87 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.927 110.3 50.2 -66.0 -40.9 -38.0 -64.5 34.7 616 56 D I H X S+ 0 0 63 -4,-2.4 4,-3.9 2,-0.2 5,-0.3 0.955 109.1 50.1 -61.6 -51.1 -40.4 -64.8 31.8 617 57 D E H X S+ 0 0 6 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.967 111.5 48.4 -52.4 -57.1 -38.4 -62.7 29.5 618 58 D E H X S+ 0 0 7 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.937 116.0 44.9 -47.4 -53.3 -35.2 -64.6 30.3 619 59 D S H X S+ 0 0 66 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.969 114.6 46.3 -56.8 -57.0 -37.0 -67.9 29.7 620 60 D K H X S+ 0 0 110 -4,-3.9 4,-1.4 1,-0.2 -1,-0.2 0.868 116.6 47.3 -54.5 -36.7 -38.7 -66.7 26.5 621 61 D W H X S+ 0 0 6 -4,-3.4 4,-2.0 -5,-0.3 -1,-0.2 0.846 110.5 49.6 -72.9 -38.5 -35.4 -65.3 25.3 622 62 D Q H X S+ 0 0 96 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.931 112.5 48.9 -65.6 -44.3 -33.4 -68.4 26.1 623 63 D E H X S+ 0 0 83 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.808 110.6 50.4 -64.8 -34.5 -36.0 -70.5 24.3 624 64 D Q H X S+ 0 0 46 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.2 0.879 112.0 46.9 -72.5 -38.0 -35.9 -68.2 21.3 625 65 D W H X S+ 0 0 20 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.816 103.7 63.5 -71.9 -31.6 -32.0 -68.4 21.2 626 66 D K H X S+ 0 0 134 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.927 113.6 33.8 -57.3 -45.4 -32.2 -72.2 21.6 627 67 D K H >X S+ 0 0 132 -4,-1.3 3,-1.6 1,-0.2 4,-0.5 0.987 117.0 51.5 -72.9 -63.7 -34.0 -72.4 18.2 628 68 D E H >< S+ 0 0 39 -4,-2.4 3,-1.1 1,-0.3 4,-0.2 0.771 99.9 64.5 -45.2 -37.4 -32.4 -69.5 16.4 629 69 D Q H >< S+ 0 0 61 -4,-2.2 3,-2.6 1,-0.3 -1,-0.3 0.825 85.5 70.8 -63.0 -32.9 -28.8 -70.7 17.1 630 70 D I H << S+ 0 0 132 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.884 87.9 69.2 -48.4 -38.4 -29.2 -73.9 15.1 631 71 D K T << S+ 0 0 149 -3,-1.1 2,-0.5 -4,-0.5 -1,-0.3 0.663 89.2 73.7 -56.3 -20.6 -29.2 -71.6 12.1 632 72 D A < - 0 0 9 -3,-2.6 6,-0.1 -4,-0.2 -1,-0.0 -0.880 60.3-165.9-108.2 127.6 -25.5 -70.8 12.6 633 73 D K S S+ 0 0 180 -2,-0.5 -1,-0.2 4,-0.0 2,-0.1 0.997 73.2 36.2 -62.8 -79.3 -22.8 -73.3 11.7 634 74 D T S > S- 0 0 36 1,-0.1 4,-2.2 4,-0.0 5,-0.1 -0.270 78.8-122.5 -78.2 160.7 -19.8 -71.8 13.4 635 75 D N H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.849 114.3 65.1 -70.1 -34.7 -19.6 -70.0 16.8 636 76 D R H > S+ 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S H 3< S+ 0 0 1 -4,-1.7 -1,-0.3 1,-0.2 3,-0.3 0.879 96.6 52.8 -60.3 -35.3 -30.7 -58.7 20.2 647 87 D L H <4 S+ 0 0 5 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.713 120.9 30.0 -71.4 -22.6 -31.8 -55.8 18.0 648 88 D T H << S+ 0 0 63 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 0.336 88.3 110.0-122.2 3.7 -35.1 -57.3 16.9 649 89 D T < - 0 0 12 -4,-1.4 -28,-0.0 -3,-0.3 -430,-0.0 -0.610 56.2-149.9 -82.8 145.2 -36.2 -59.6 19.8 650 90 D E S S+ 0 0 37 -2,-0.3 2,-0.3 -431,-0.1 -1,-0.1 0.417 71.9 99.9 -89.4 4.5 -39.2 -58.4 21.7 651 91 D Y S S- 0 0 35 -31,-0.1 2,-3.3 2,-0.1 -2,-0.1 -0.731 95.8 -35.2-101.9 141.8 -37.6 -60.1 24.7 652 92 D Y S > S+ 0 0 10 -2,-0.3 3,-2.3 1,-0.2 4,-0.2 -0.209 118.4 75.9 53.9 -59.7 -35.6 -58.8 27.6 653 93 D Y G > S+ 0 0 7 -2,-3.3 3,-1.2 1,-0.3 4,-0.2 0.777 87.1 60.0 -52.9 -31.5 -33.7 -56.0 25.7 654 94 D P G 3 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.699 103.8 54.3 -71.4 -14.0 -36.8 -53.7 25.6 655 95 D L G <> S+ 0 0 0 -3,-2.3 4,-2.5 1,-0.2 5,-0.2 0.311 71.1 110.5 -99.4 5.0 -36.8 -53.7 29.4 656 96 D Q H <> S+ 0 0 5 -3,-1.2 4,-3.0 -4,-0.2 5,-0.3 0.910 77.8 51.2 -44.6 -55.8 -33.2 -52.6 30.0 657 97 D N H > S+ 0 0 18 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.945 112.9 43.1 -49.4 -59.3 -34.1 -49.2 31.4 658 98 D A H > S+ 0 0 1 1,-0.2 4,-2.6 -4,-0.2 -1,-0.3 0.835 115.1 54.2 -57.7 -32.1 -36.6 -50.6 33.9 659 99 D I H X S+ 0 0 10 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.876 108.6 44.9 -73.1 -37.3 -34.0 -53.3 34.7 660 100 D I H X S+ 0 0 17 -4,-3.0 4,-3.0 -3,-0.3 5,-0.3 0.963 116.6 47.7 -71.0 -45.2 -31.2 -50.9 35.4 661 101 D E H X S+ 0 0 7 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.970 114.7 45.2 -53.5 -59.0 -33.5 -48.7 37.5 662 102 D F H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.896 114.3 49.9 -53.3 -44.8 -35.0 -51.6 39.4 663 103 D Y H >X S+ 0 0 29 -4,-2.2 4,-1.3 1,-0.2 3,-0.7 0.914 110.3 46.8 -64.8 -45.2 -31.5 -53.1 40.0 664 104 D T H 3< S+ 0 0 55 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.851 113.2 53.3 -66.2 -29.0 -29.9 -49.9 41.3 665 105 D E H 3< S+ 0 0 81 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.663 124.8 20.9 -80.2 -14.8 -32.9 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50.0 -53.9 -35.9 -32.5 -63.7 42.1 676 116 D M H > S+ 0 0 9 -5,-0.4 4,-2.7 -4,-0.4 -1,-0.2 0.896 109.4 46.5 -70.9 -46.3 -31.2 -60.8 40.1 677 117 D N H X S+ 0 0 57 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.872 108.6 57.8 -66.0 -36.8 -27.6 -61.9 39.7 678 118 D K H X S+ 0 0 136 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.928 109.4 44.7 -59.4 -43.6 -28.9 -65.4 38.7 679 119 D L H X S+ 0 0 10 -4,-1.4 4,-2.0 -5,-0.2 -2,-0.2 0.978 111.0 52.8 -62.4 -54.7 -30.8 -63.7 35.9 680 120 D E H X S+ 0 0 37 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.868 108.1 54.6 -47.5 -40.2 -27.8 -61.6 34.9 681 121 D N H X S+ 0 0 100 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.948 103.1 52.4 -61.9 -51.8 -25.9 -64.8 34.8 682 122 D K H X S+ 0 0 110 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.915 109.1 51.2 -53.3 -45.1 -28.2 -66.6 32.4 683 123 D Y H >X S+ 0 0 12 -4,-2.0 3,-1.9 1,-0.2 4,-0.5 0.985 113.3 43.3 -56.0 -60.4 -28.0 -63.7 29.9 684 124 D I H >X S+ 0 0 18 -4,-2.1 4,-2.1 1,-0.3 3,-1.0 0.838 100.2 72.8 -52.5 -37.7 -24.2 -63.6 29.9 685 125 D D H 3X S+ 0 0 82 -4,-3.0 4,-2.9 1,-0.3 -1,-0.3 0.795 86.7 65.2 -49.6 -31.7 -24.1 -67.4 29.7 686 126 D A H X S+ 0 0 117 -4,-2.0 4,-1.6 2,-0.2 3,-1.0 0.978 114.7 41.5 -74.9 -65.9 -16.0 -71.6 25.1 693 133 D E H 3< S+ 0 0 80 -4,-2.0 6,-0.2 1,-0.3 -2,-0.2 0.810 112.2 61.8 -49.7 -28.7 -17.2 -73.8 22.2 694 134 D G H ><>S+ 0 0 0 -4,-1.7 5,-1.9 -5,-0.3 3,-1.1 0.944 103.4 47.0 -63.4 -47.3 -15.3 -71.2 20.2 695 135 D N H X<5S+ 0 0 49 -4,-1.4 3,-2.6 -3,-1.0 2,-1.3 0.980 109.7 50.3 -57.1 -63.2 -12.0 -72.0 21.9 696 136 D L T 3<5S+ 0 0 113 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.052 109.5 55.3 -70.5 32.6 -12.2 -75.8 21.6 697 137 D N T < 5S- 0 0 98 -2,-1.3 -1,-0.3 -3,-1.1 -2,-0.2 0.187 110.8-116.3-142.4 5.9 -13.0 -75.4 17.9 698 138 D G T < 5S+ 0 0 72 -3,-2.6 -3,-0.2 2,-0.3 -2,-0.1 0.664 81.1 122.6 64.2 18.5 -10.0 -73.3 17.0 699 139 D E S > - 0 0 93 1,-0.2 4,-1.5 2,-0.0 3,-1.1 -0.933 61.7-162.8-125.6 105.2 -10.6 -65.6 30.4 705 145 D V H 3> S+ 0 0 16 -2,-0.5 4,-2.9 -3,-0.4 5,-0.3 0.901 89.2 64.0 -47.9 -51.0 -14.0 -66.2 28.8 706 146 D N H 3> 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165 D E S S+ 0 0 56 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.833 87.1 73.0-100.2 -68.6 -33.8 -44.7 17.3 726 166 D Q S S- 0 0 58 1,-0.1 2,-0.3 2,-0.1 -3,-0.1 0.213 99.2 -77.7 -42.2 169.8 -32.2 -45.4 13.9 727 167 D N >> - 0 0 95 1,-0.1 3,-2.6 4,-0.0 4,-1.9 -0.591 43.0-110.5 -81.4 137.1 -33.8 -47.6 11.3 728 168 D I H 3> S+ 0 0 68 -2,-0.3 4,-2.2 1,-0.3 5,-0.1 0.668 115.6 51.4 -34.8 -35.2 -33.6 -51.4 11.8 729 169 D N H 3> S+ 0 0 119 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.789 108.3 50.1 -81.3 -25.1 -31.3 -51.9 8.9 730 170 D E H <> S+ 0 0 49 -3,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.917 111.5 51.3 -73.3 -42.1 -28.8 -49.3 10.0 731 171 D R H X S+ 0 0 11 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.964 108.9 48.1 -56.9 -55.5 -28.8 -50.9 13.4 732 172 D I H X S+ 0 0 33 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.782 111.1 54.3 -58.8 -23.1 -28.2 -54.4 12.0 733 173 D K H X S+ 0 0 138 -4,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.945 110.4 43.3 -75.5 -47.8 -25.4 -52.8 10.0 734 174 D L H X S+ 0 0 8 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.924 113.5 52.6 -61.0 -46.4 -23.7 -51.2 13.0 735 175 D M H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.872 108.3 50.5 -59.2 -39.1 -24.1 -54.4 15.0 736 176 D N H X S+ 0 0 64 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.2 0.898 110.0 49.9 -67.8 -38.6 -22.5 -56.5 12.3 737 177 D K H X S+ 0 0 57 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.988 112.7 46.7 -61.2 -58.2 -19.5 -54.1 12.1 738 178 D F H X S+ 0 0 0 -4,-2.7 4,-3.6 1,-0.2 5,-0.4 0.949 111.4 51.4 -45.7 -60.6 -19.1 -54.2 15.9 739 179 D S H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.907 113.6 45.7 -43.1 -52.2 -19.4 -58.0 15.9 740 180 D Q H X S+ 0 0 92 -4,-2.6 4,-3.0 2,-0.2 3,-0.4 0.989 115.0 44.5 -54.6 -74.0 -16.7 -58.2 13.2 741 181 D I H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.866 118.0 46.6 -35.2 -55.2 -14.3 -55.7 14.8 742 182 D F H X S+ 0 0 0 -4,-3.6 4,-0.7 -5,-0.3 -1,-0.2 0.905 112.8 45.6 -60.3 -47.3 -14.8 -57.4 18.2 743 183 D L H >< S+ 0 0 13 -4,-3.2 3,-0.6 -3,-0.4 -1,-0.2 0.877 115.9 49.9 -65.2 -32.8 -14.4 -61.0 17.0 744 184 D N H 3< S+ 0 0 97 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.882 100.5 62.4 -71.5 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