==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 20-DEC-07 3BR1 . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR QACR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.E.BROOKS . 732 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 592 80.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 23 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 476 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 1 4 2 0 1 3 1 0 4 0 2 5 2 1 1 0 1 3 1 0 1 2 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 5 B D > 0 0 170 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -41.1 -92.7 -71.1 7.5 2 6 B K H > + 0 0 66 2,-0.2 4,-1.1 3,-0.2 5,-0.1 0.823 360.0 42.8 -63.5 -31.8 -91.2 -72.3 10.8 3 7 B I H >> S+ 0 0 34 2,-0.2 4,-2.8 3,-0.1 3,-0.5 0.973 114.4 48.0 -68.3 -63.1 -88.0 -72.0 8.9 4 8 B L H 3> S+ 0 0 28 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.759 114.3 48.2 -51.8 -32.4 -88.9 -68.6 7.2 5 9 B G H 3X S+ 0 0 46 -4,-2.7 4,-1.5 2,-0.2 -1,-0.3 0.871 113.4 44.7 -76.8 -40.1 -90.0 -67.2 10.5 6 10 B V H S+ 0 0 1 76,-0.2 3,-0.6 2,-0.1 -1,-0.1 0.891 124.2 33.2 -78.0 -52.5 -76.4 -63.1 7.4 17 21 B N T 3 S+ 0 0 71 1,-0.2 -1,-0.1 -6,-0.1 -6,-0.0 0.842 113.5 63.4 -69.5 -34.6 -73.1 -65.1 7.8 18 22 B A T 3 S+ 0 0 69 1,-0.1 2,-0.5 -7,-0.1 -1,-0.2 0.547 99.5 57.9 -73.0 -10.2 -73.5 -65.2 11.6 19 23 B T S < S- 0 0 8 -3,-0.6 2,-0.2 -4,-0.1 -1,-0.1 -0.961 75.4-177.4-120.4 112.5 -76.7 -67.2 11.3 20 24 B T >> - 0 0 72 -2,-0.5 4,-2.0 1,-0.1 3,-0.6 -0.694 43.6-101.1-108.5 161.8 -76.2 -70.5 9.4 21 25 B T H 3> S+ 0 0 66 1,-0.3 4,-1.8 -2,-0.2 5,-0.2 0.707 120.8 61.7 -55.1 -24.4 -78.6 -73.3 8.4 22 26 B G H 3> S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.981 108.9 39.1 -59.6 -58.2 -77.3 -75.3 11.4 23 27 B E H <> S+ 0 0 52 -3,-0.6 4,-1.0 1,-0.2 -2,-0.2 0.788 114.9 54.5 -66.1 -30.0 -78.5 -72.7 13.9 24 28 B I H X S+ 0 0 19 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.904 110.8 44.6 -70.6 -43.5 -81.8 -72.1 11.9 25 29 B V H >< S+ 0 0 31 -4,-1.8 3,-1.4 1,-0.2 4,-0.5 0.944 112.3 50.8 -64.6 -50.7 -82.7 -75.8 11.9 26 30 B K H 3< S+ 0 0 78 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.780 107.0 58.2 -56.4 -27.9 -81.9 -76.2 15.6 27 31 B L H 3< S+ 0 0 57 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.692 119.5 25.7 -75.9 -21.2 -84.1 -73.1 16.2 28 32 B S S << S- 0 0 21 -3,-1.4 2,-2.9 -4,-0.6 -2,-0.2 0.082 94.1-130.8-132.5 23.4 -87.2 -74.7 14.6 29 33 B E + 0 0 159 -4,-0.5 3,-0.1 -3,-0.4 -1,-0.1 -0.324 66.8 125.3 61.2 -69.1 -86.7 -78.5 15.0 30 34 B S - 0 0 55 -2,-2.9 -2,-0.2 1,-0.1 5,-0.1 0.147 68.6-115.2 -26.1 109.7 -87.5 -79.3 11.3 31 35 B S >> - 0 0 68 1,-0.1 3,-1.4 3,-0.1 4,-0.7 0.026 23.7 -97.8 -60.7 162.1 -84.4 -81.3 10.3 32 36 B K G >4 S+ 0 0 72 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.792 121.0 61.9 -50.5 -38.8 -81.9 -80.1 7.6 33 37 B G G 34 S+ 0 0 63 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.885 95.1 61.4 -54.7 -42.6 -83.6 -82.2 4.9 34 38 B N G <4 S+ 0 0 72 -3,-1.4 2,-2.5 1,-0.2 -1,-0.2 0.820 86.5 78.0 -54.2 -34.8 -86.8 -80.2 5.3 35 39 B L << 0 0 33 -3,-0.8 -1,-0.2 -4,-0.7 9,-0.1 -0.397 360.0 360.0 -75.2 63.3 -84.9 -77.1 4.3 36 40 B Y 0 0 198 -2,-2.5 -1,-0.2 0, 0.0 -2,-0.2 0.184 360.0 360.0-164.7 360.0 -85.0 -78.1 0.6 37 ! 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 38 43 B F 0 0 78 0, 0.0 6,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 131.2 -85.6 -73.2 -1.3 39 44 B K + 0 0 59 2,-0.0 2,-0.1 5,-0.0 -4,-0.0 0.974 360.0 18.0 -81.3 -62.1 -82.4 -74.8 -2.5 40 45 B T S > S- 0 0 55 1,-0.1 4,-1.9 -4,-0.0 5,-0.1 -0.359 85.3 -97.3-103.6 179.9 -79.5 -72.9 -0.9 41 46 B K H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.845 126.5 56.6 -63.5 -37.1 -79.0 -70.5 2.0 42 47 B E H > S+ 0 0 46 2,-0.2 4,-4.2 1,-0.2 5,-0.4 0.982 105.2 48.8 -54.2 -60.1 -79.3 -67.7 -0.6 43 48 B N H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.869 110.7 50.9 -51.2 -44.3 -82.7 -69.0 -1.8 44 49 B L H X S+ 0 0 12 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.965 118.1 38.9 -56.3 -52.5 -83.9 -69.2 1.8 45 50 B F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-0.4 0.940 113.6 52.8 -64.3 -50.7 -82.8 -65.6 2.4 46 51 B L H X S+ 0 0 11 -4,-4.2 4,-1.5 1,-0.3 -1,-0.2 0.784 108.3 53.7 -59.8 -28.3 -83.8 -64.2 -1.0 47 52 B E H X S+ 0 0 86 -4,-1.9 4,-2.3 -5,-0.4 -1,-0.3 0.873 106.3 51.9 -69.8 -40.1 -87.3 -65.7 -0.3 48 53 B I H X S+ 0 0 3 -4,-1.5 4,-3.2 -3,-0.4 5,-0.3 0.906 107.5 51.9 -63.6 -43.2 -87.5 -63.8 3.0 49 54 B L H X S+ 0 0 2 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.926 109.1 50.9 -59.3 -44.6 -86.6 -60.5 1.3 50 55 B N H X S+ 0 0 58 -4,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.927 113.3 45.5 -57.5 -47.1 -89.4 -61.2 -1.2 51 56 B I H X S+ 0 0 80 -4,-2.3 4,-2.8 2,-0.2 3,-0.3 0.970 117.7 42.2 -57.6 -56.5 -91.8 -61.8 1.7 52 57 B E H X S+ 0 0 8 -4,-3.2 4,-2.1 1,-0.3 -2,-0.2 0.864 110.1 56.0 -64.9 -40.7 -90.7 -58.8 3.7 53 58 B E H X S+ 0 0 0 -4,-3.3 4,-2.2 -5,-0.3 -1,-0.3 0.866 113.7 43.2 -57.2 -36.9 -90.5 -56.5 0.8 54 59 B S H X S+ 0 0 38 -4,-1.5 4,-2.9 -3,-0.3 5,-0.3 0.912 107.7 55.8 -77.5 -45.4 -94.2 -57.4 0.1 55 60 B K H X S+ 0 0 86 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.855 114.5 44.1 -54.9 -34.4 -95.4 -57.2 3.7 56 61 B W H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.962 111.2 51.6 -68.9 -54.9 -94.0 -53.7 3.6 57 62 B Q H X S+ 0 0 35 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.787 112.1 48.0 -56.3 -32.9 -95.4 -52.9 0.1 58 63 B E H X S+ 0 0 74 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.928 110.8 49.8 -69.7 -50.4 -98.9 -54.0 1.3 59 64 B Q H X S+ 0 0 36 -4,-1.6 4,-0.8 -5,-0.3 -2,-0.2 0.834 108.9 54.4 -55.7 -37.5 -98.6 -51.9 4.5 60 65 B W H X S+ 0 0 6 -4,-2.7 4,-1.1 2,-0.2 3,-0.4 0.908 108.3 47.6 -64.6 -43.8 -97.6 -49.0 2.4 61 66 B K H >< S+ 0 0 63 -4,-1.4 3,-0.5 1,-0.2 4,-0.5 0.915 111.5 50.8 -63.5 -43.5 -100.8 -49.4 0.2 62 67 B K H 3< S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.694 121.1 35.9 -64.1 -19.3 -102.9 -49.7 3.4 63 68 B E H >< S+ 0 0 67 -4,-0.8 3,-0.5 -3,-0.4 -2,-0.2 0.399 95.1 80.5-117.3 0.4 -101.2 -46.4 4.7 64 69 B Q G X< S+ 0 0 49 -4,-1.1 3,-1.9 -3,-0.5 -3,-0.1 0.659 72.4 81.1 -84.5 -15.4 -100.7 -44.3 1.6 65 70 B I G 3 S+ 0 0 109 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.851 80.2 68.9 -53.7 -35.0 -104.4 -43.1 1.6 66 71 B K G < S+ 0 0 155 -3,-0.5 2,-0.6 7,-0.0 -1,-0.3 0.758 86.3 81.7 -57.5 -25.4 -103.2 -40.6 4.3 67 72 B A < - 0 0 6 -3,-1.9 6,-0.0 1,-0.2 3,-0.0 -0.758 57.9-174.7 -86.9 121.0 -101.3 -38.9 1.4 68 73 B K S S+ 0 0 82 -2,-0.6 2,-0.2 2,-0.0 -1,-0.2 0.951 71.3 32.1 -75.5 -55.0 -103.4 -36.5 -0.7 69 74 B T S > S- 0 0 58 1,-0.1 4,-2.7 60,-0.0 5,-0.1 -0.602 83.8-114.9-100.5 162.8 -100.8 -35.6 -3.3 70 75 B N H > S+ 0 0 19 2,-0.2 4,-3.1 1,-0.2 5,-0.1 0.829 119.5 61.1 -62.0 -33.7 -97.9 -37.6 -4.7 71 76 B R H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 109.2 41.5 -55.8 -45.5 -95.6 -35.0 -3.0 72 77 B E H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.900 110.3 57.8 -69.7 -40.8 -97.2 -36.2 0.2 73 78 B K H X S+ 0 0 38 -4,-2.7 4,-3.2 2,-0.2 -2,-0.2 0.943 108.8 46.8 -51.1 -51.3 -97.0 -39.8 -0.9 74 79 B F H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 5,-0.3 0.979 112.4 46.8 -54.5 -68.2 -93.2 -39.4 -1.3 75 80 B Y H X S+ 0 0 47 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.853 117.4 46.2 -36.4 -51.4 -92.6 -37.7 2.1 76 81 B L H X S+ 0 0 33 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.947 106.5 54.7 -65.3 -54.0 -94.7 -40.3 3.8 77 82 B Y H X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.3 -1,-0.2 0.902 113.4 44.1 -47.6 -48.0 -93.3 -43.4 2.1 78 83 B N H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 -1,-0.3 0.886 113.2 51.0 -66.0 -42.2 -89.8 -42.3 3.3 79 84 B E H >X S+ 0 0 55 -4,-2.1 4,-0.9 -5,-0.3 3,-0.8 0.933 110.7 48.7 -57.5 -49.4 -91.2 -41.4 6.8 80 85 B L H 3X S+ 0 0 25 -4,-3.6 4,-2.6 1,-0.2 3,-0.2 0.800 99.1 68.7 -63.2 -30.2 -92.8 -44.8 7.1 81 86 B S H 3< S+ 0 0 2 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.860 99.3 49.9 -57.5 -37.7 -89.6 -46.5 6.0 82 87 B L H << S+ 0 0 13 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.854 118.1 38.1 -67.1 -36.3 -87.9 -45.5 9.2 83 88 B T H < S+ 0 0 76 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.716 90.8 107.9 -93.1 -25.0 -90.8 -46.8 11.4 84 89 B T < - 0 0 18 -4,-2.6 -28,-0.0 1,-0.1 -3,-0.0 0.110 59.3-145.8 -50.9 165.3 -91.8 -50.0 9.6 85 90 B Q S S+ 0 0 120 -33,-0.1 2,-0.4 3,-0.0 -1,-0.1 0.199 73.5 88.5-111.4 9.6 -91.1 -53.5 10.9 86 91 B Y S S- 0 0 33 -5,-0.1 2,-3.3 -31,-0.1 -2,-0.1 -0.888 98.1 -29.8-120.7 139.5 -90.6 -54.9 7.4 87 92 B Y S > S+ 0 0 5 -2,-0.4 3,-2.8 1,-0.2 4,-0.4 -0.223 115.9 75.5 66.1 -63.0 -87.6 -55.2 5.0 88 93 B Y G > S+ 0 0 15 -2,-3.3 3,-0.8 1,-0.3 -1,-0.2 0.740 89.8 59.1 -58.2 -26.6 -85.6 -52.2 6.2 89 94 B P G 3 S+ 0 0 61 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.382 102.3 55.3 -79.8 4.1 -84.5 -54.1 9.3 90 95 B L G <> S+ 0 0 4 -3,-2.8 4,-2.7 2,-0.1 3,-0.4 0.399 76.8 99.1-105.2 -1.4 -82.9 -56.8 7.1 91 96 B Q H <> S+ 0 0 1 -3,-0.8 4,-2.0 -4,-0.4 5,-0.2 0.773 77.7 56.8 -65.6 -27.6 -80.7 -54.3 5.2 92 97 B N H > S+ 0 0 21 2,-0.2 4,-2.5 -4,-0.2 -1,-0.3 0.947 112.4 43.0 -61.6 -46.9 -77.6 -55.0 7.3 93 98 B A H > S+ 0 0 2 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.916 111.8 54.4 -60.5 -44.8 -78.1 -58.7 6.2 94 99 B I H X S+ 0 0 1 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.824 111.0 45.5 -62.2 -33.9 -78.8 -57.6 2.7 95 100 B I H X S+ 0 0 15 -4,-2.0 4,-1.3 2,-0.2 3,-0.5 0.955 112.9 48.7 -70.7 -52.8 -75.5 -55.6 2.5 96 101 B E H X S+ 0 0 5 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.779 110.3 55.4 -55.8 -30.9 -73.6 -58.5 4.1 97 102 B F H X S+ 0 0 4 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.865 100.3 56.7 -69.4 -41.1 -75.3 -60.8 1.5 98 103 B Y H < S+ 0 0 37 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.817 110.8 43.8 -65.7 -32.3 -74.1 -58.7 -1.5 99 104 B T H < S+ 0 0 45 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.940 109.2 55.1 -74.8 -49.9 -70.4 -59.1 -0.5 100 105 B E H < 0 0 44 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.670 360.0 360.0 -60.1 -19.5 -70.6 -62.8 0.4 101 106 B Y < 0 0 142 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.1 -0.330 360.0 360.0-141.4 360.0 -72.0 -63.5 -3.1 102 ! 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 0.0 103 113 B N 0 0 125 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.8 -79.0 -61.1 -11.3 104 114 B E >> - 0 0 111 0, 0.0 4,-0.7 0, 0.0 3,-0.5 -0.465 360.0 -3.3-171.5-112.1 -81.9 -63.6 -11.0 105 115 B K H 3> S+ 0 0 54 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.634 126.7 72.9 -70.3 -16.6 -84.8 -63.4 -8.4 106 116 B M H 3> S+ 0 0 26 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.841 89.5 56.6 -61.7 -38.9 -82.7 -60.3 -7.3 107 117 B N H <> S+ 0 0 50 -3,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.891 104.7 50.6 -63.5 -41.8 -83.8 -58.4 -10.4 108 118 B K H X S+ 0 0 67 -4,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.769 113.7 47.2 -67.2 -27.3 -87.5 -58.9 -9.6 109 119 B L H X S+ 0 0 8 -4,-1.0 4,-3.3 2,-0.2 5,-0.2 0.960 106.3 53.5 -76.9 -56.7 -86.9 -57.6 -6.0 110 120 B E H X S+ 0 0 32 -4,-2.7 4,-1.3 1,-0.3 -2,-0.2 0.782 113.3 47.1 -50.1 -31.0 -84.9 -54.5 -6.9 111 121 B N H X S+ 0 0 86 -4,-1.3 4,-1.1 2,-0.2 -1,-0.3 0.877 111.8 47.1 -78.7 -41.5 -87.7 -53.5 -9.2 112 122 B K H X S+ 0 0 57 -4,-1.3 4,-0.6 1,-0.2 -2,-0.2 0.826 111.5 55.8 -63.4 -32.0 -90.4 -54.2 -6.6 113 123 B Y H < S+ 0 0 10 -4,-3.3 3,-0.2 1,-0.2 -2,-0.2 0.872 115.9 34.0 -66.9 -41.2 -88.1 -52.2 -4.2 114 124 B I H >X S+ 0 0 7 -4,-1.3 4,-1.8 -5,-0.2 3,-0.7 0.519 95.7 90.9 -90.2 -6.6 -88.1 -49.2 -6.6 115 125 B D H 3X S+ 0 0 74 -4,-1.1 4,-2.6 1,-0.2 5,-0.2 0.875 78.5 59.7 -61.5 -40.4 -91.7 -49.7 -7.7 116 126 B A H 3X S+ 0 0 2 -4,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.849 110.3 42.6 -55.8 -38.9 -93.2 -47.5 -5.0 117 127 B Y H <> S+ 0 0 0 -3,-0.7 4,-2.7 -4,-0.2 5,-0.3 0.798 109.1 58.9 -77.2 -31.7 -91.2 -44.5 -6.2 118 128 B H H X S+ 0 0 53 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.956 108.9 44.2 -60.7 -50.2 -91.9 -45.4 -9.9 119 129 B V H X S+ 0 0 73 -4,-2.6 4,-3.0 2,-0.2 5,-0.5 0.965 113.8 51.3 -55.7 -54.7 -95.7 -45.0 -9.2 120 130 B I H X S+ 0 0 3 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.889 116.1 39.2 -52.6 -47.4 -95.2 -41.8 -7.2 121 131 B F H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 11,-0.2 0.827 118.3 48.7 -76.3 -31.4 -93.1 -40.1 -9.9 122 132 B K H >X S+ 0 0 83 -4,-2.6 4,-2.4 -5,-0.3 3,-1.1 0.982 115.9 41.0 -70.3 -58.2 -95.2 -41.5 -12.8 123 133 B E H 3X S+ 0 0 37 -4,-3.0 4,-2.8 1,-0.3 -1,-0.2 0.756 111.7 62.2 -59.1 -24.8 -98.6 -40.5 -11.3 124 134 B G H 3<>S+ 0 0 0 -4,-0.9 5,-2.2 -5,-0.5 6,-0.9 0.803 104.8 43.9 -69.5 -33.6 -96.7 -37.3 -10.3 125 135 B N H <<5S+ 0 0 55 -4,-1.1 3,-0.5 -3,-1.1 -2,-0.2 0.882 115.2 48.3 -76.2 -41.5 -96.1 -36.5 -14.0 126 136 B L H <5S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.919 114.3 46.4 -59.9 -45.1 -99.7 -37.4 -14.8 127 137 B N T <5S- 0 0 63 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.530 111.5-129.4 -74.3 -8.1 -100.8 -35.2 -11.9 128 138 B G T 5 + 0 0 57 -3,-0.5 -3,-0.2 2,-0.1 -4,-0.1 0.706 65.2 135.8 69.8 24.3 -98.4 -32.5 -13.1 129 139 B E S + 0 0 84 1,-0.2 4,-1.7 2,-0.1 -1,-0.2 -0.815 63.6 166.8-109.5 89.0 -86.1 -40.4 -16.6 135 145 B V H > S+ 0 0 18 -2,-0.7 4,-3.1 -3,-0.2 5,-0.3 0.866 70.2 61.6 -70.5 -39.8 -88.1 -41.9 -13.7 136 146 B N H > S+ 0 0 88 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166 B Q S < S- 0 0 46 -3,-1.2 -1,-0.5 1,-0.2 5,-0.1 -0.271 96.5 -52.5 -75.4 158.8 -79.8 -42.4 17.0 157 167 B N > - 0 0 95 1,-0.1 4,-1.9 -3,-0.1 3,-0.4 0.099 47.5-135.2 -30.0 125.6 -83.0 -40.9 18.2 158 168 B I H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.730 100.7 52.0 -64.8 -27.0 -86.0 -41.9 16.1 159 169 B N H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.821 106.4 52.4 -83.8 -34.2 -87.6 -38.4 15.8 160 170 B E H > S+ 0 0 63 -3,-0.4 4,-3.2 2,-0.2 5,-0.2 0.941 109.1 53.1 -55.8 -49.0 -84.3 -36.8 14.6 161 171 B R H X S+ 0 0 8 -4,-1.9 4,-2.7 1,-0.3 -2,-0.2 0.950 109.8 46.1 -52.0 -55.8 -84.4 -39.6 12.0 162 172 B I H X S+ 0 0 45 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.852 113.4 50.9 -55.2 -38.5 -87.9 -38.7 11.0 163 173 B K H X S+ 0 0 58 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.933 111.0 47.0 -65.4 -47.9 -86.8 -35.0 10.9 164 174 B L H X S+ 0 0 9 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.921 109.6 53.4 -60.2 -47.8 -83.8 -35.7 8.7 165 175 B M H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.838 110.5 47.5 -58.1 -38.1 -85.7 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10 D V H X S+ 0 0 22 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.965 115.6 48.4 -63.5 -51.5 -31.8 -30.3 42.3 187 11 D A H X S+ 0 0 0 -4,-2.3 4,-3.5 -5,-0.3 5,-0.2 0.931 110.2 52.5 -52.9 -51.2 -33.2 -31.4 38.9 188 12 D K H X S+ 0 0 15 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.907 114.6 40.9 -50.6 -48.6 -29.8 -32.9 37.9 189 13 D E H X S+ 0 0 125 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.809 115.1 51.3 -79.0 -29.7 -29.5 -34.9 41.0 190 14 D L H X>S+ 0 0 10 -4,-3.0 4,-2.9 2,-0.2 5,-0.8 0.937 109.2 51.3 -64.5 -48.3 -33.2 -35.9 41.0 191 15 D F H X5S+ 0 0 0 -4,-3.5 4,-0.7 -5,-0.2 -2,-0.2 0.846 110.6 48.3 -60.0 -35.4 -32.9 -37.1 37.4 192 16 D I H <5S+ 0 0 44 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.898 117.9 41.5 -70.6 -41.4 -29.8 -39.2 38.2 193 17 D K H <5S+ 0 0 140 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.991 134.4 13.5 -66.9 -62.5 -31.6 -40.8 41.2 194 18 D N H <5S- 0 0 15 -4,-2.9 377,-0.3 1,-0.3 4,-0.3 0.791 101.0-120.6 -92.2 -33.0 -35.1 -41.4 39.9 195 19 D G X< - 0 0 1 -5,-0.8 4,-1.1 -4,-0.7 -1,-0.3 -0.527 38.3 -70.2 106.7 178.3 -34.9 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44.5 -61.9 -48.0 -39.2 -22.9 37.0 216 40 D Y H X S+ 0 0 134 -4,-2.3 4,-2.8 3,-0.2 -2,-0.2 0.930 108.6 59.4 -58.6 -46.5 -41.4 -22.1 34.1 217 41 D Y H < S+ 0 0 196 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.895 119.6 25.7 -50.9 -48.9 -40.0 -18.5 34.1 218 42 D H H < S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.880 138.3 23.5 -83.1 -42.8 -36.4 -19.7 33.5 219 43 D F H < S- 0 0 2 -4,-2.8 2,-2.6 -5,-0.2 5,-0.2 0.369 80.6-147.4-114.6 2.1 -36.8 -23.0 31.8 220 44 D K S < S+ 0 0 142 -4,-2.8 2,-0.3 -5,-0.3 -1,-0.1 -0.379 75.6 11.6 65.7 -71.9 -40.3 -22.8 30.1 221 45 D T S >> S- 0 0 53 -2,-2.6 4,-2.2 -3,-0.1 3,-0.7 -0.934 75.5-112.8-136.1 154.9 -41.1 -26.6 30.5 222 46 D K H 3> S+ 0 0 37 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.847 117.3 58.4 -52.4 -38.2 -39.5 -29.6 32.4 223 47 D E H 3> S+ 0 0 21 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.861 109.2 43.4 -62.3 -37.0 -38.6 -31.1 29.0 224 48 D N H <> S+ 0 0 33 -3,-0.7 4,-2.0 -5,-0.2 -2,-0.2 0.801 107.5 59.9 -80.1 -33.0 -36.5 -28.0 28.1 225 49 D L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.3 0.963 105.2 49.9 -52.0 -53.7 -35.0 -27.9 31.6 226 50 D F H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.820 107.6 53.2 -57.6 -36.0 -33.6 -31.4 31.0 227 51 D L H X S+ 0 0 15 -4,-1.0 4,-2.5 2,-0.2 -1,-0.3 0.879 108.9 50.0 -65.8 -38.3 -32.2 -30.2 27.6 228 52 D E H X S+ 0 0 71 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.875 110.0 50.1 -67.4 -37.8 -30.5 -27.4 29.5 229 53 D I H X S+ 0 0 6 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.887 110.5 51.8 -64.4 -39.3 -29.1 -30.0 32.0 230 54 D L H X S+ 0 0 10 -4,-2.1 4,-3.6 2,-0.2 5,-0.3 0.918 109.6 46.9 -65.4 -46.4 -27.9 -32.0 29.0 231 55 D N H X S+ 0 0 88 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.931 112.5 50.9 -59.6 -47.6 -26.0 -29.1 27.4 232 56 D I H X S+ 0 0 73 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.889 117.3 40.0 -53.9 -43.8 -24.5 -28.2 30.8 233 57 D E H X S+ 0 0 15 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.918 115.9 48.1 -77.8 -44.5 -23.4 -31.9 31.2 234 58 D E H X S+ 0 0 7 -4,-3.6 4,-1.9 1,-0.2 -2,-0.2 0.870 117.1 45.7 -61.8 -36.6 -22.3 -32.5 27.6 235 59 D S H X S+ 0 0 76 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.929 112.2 48.5 -71.0 -48.0 -20.4 -29.2 27.7 236 60 D K H X S+ 0 0 93 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.718 113.5 48.9 -68.8 -21.6 -18.7 -29.8 31.1 237 61 D W H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.900 108.6 50.6 -81.0 -47.7 -17.7 -33.4 30.0 238 62 D Q H X S+ 0 0 87 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.889 113.3 48.8 -54.8 -41.2 -16.1 -32.3 26.7 239 63 D E H X S+ 0 0 34 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.978 109.7 49.5 -61.1 -57.7 -14.2 -29.7 28.7 240 64 D Q H X S+ 0 0 44 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.837 115.0 46.6 -50.5 -36.7 -13.0 -32.2 31.3 241 65 D W H X S+ 0 0 15 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.903 107.5 54.2 -75.5 -43.3 -11.9 -34.4 28.4 242 66 D K H X S+ 0 0 51 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.910 114.2 43.3 -53.7 -44.5 -10.2 -31.7 26.4 243 67 D K H < S+ 0 0 146 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.768 120.0 41.1 -73.8 -28.8 -8.1 -30.8 29.6 244 68 D E H >< S+ 0 0 75 -4,-1.2 3,-0.7 -5,-0.3 -2,-0.2 0.639 98.3 72.9 -96.6 -16.5 -7.4 -34.5 30.5 245 69 D Q H >< S+ 0 0 55 -4,-2.3 3,-2.7 1,-0.2 -2,-0.1 0.814 80.4 72.2 -71.3 -31.9 -6.7 -36.0 27.0 246 70 D I T 3< S+ 0 0 122 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.828 83.9 71.3 -52.0 -33.9 -3.3 -34.3 26.7 247 71 D K T < S+ 0 0 180 -3,-0.7 2,-0.5 -4,-0.2 -1,-0.3 0.569 90.2 70.5 -60.4 -11.7 -2.0 -36.8 29.3 248 72 D A < - 0 0 6 -3,-2.7 6,-0.1 1,-0.2 -1,-0.0 -0.960 66.5-168.2-108.0 126.7 -2.3 -39.5 26.6 249 73 D K + 0 0 79 -2,-0.5 -1,-0.2 4,-0.0 -2,-0.0 0.992 67.9 43.6 -75.6 -73.3 0.2 -39.3 23.8 250 74 D T S > S- 0 0 59 1,-0.1 4,-1.8 4,-0.0 3,-0.2 -0.287 84.5-119.4 -72.8 157.9 -1.0 -41.7 21.1 251 75 D N H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.785 115.2 63.6 -70.3 -27.1 -4.7 -41.8 20.0 252 76 D R H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 106.2 45.1 -56.0 -44.3 -4.7 -45.5 21.1 253 77 D E H > S+ 0 0 86 -3,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.882 109.2 55.4 -65.8 -40.8 -4.0 -44.1 24.6 254 78 D K H X S+ 0 0 26 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.875 109.2 48.1 -60.4 -39.0 -6.6 -41.4 24.2 255 79 D F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.998 113.2 45.9 -61.6 -66.7 -9.2 -44.1 23.4 256 80 D Y H X S+ 0 0 49 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.871 117.6 45.4 -35.8 -54.7 -8.2 -46.3 26.4 257 81 D L H >X S+ 0 0 41 -4,-2.9 4,-2.8 2,-0.2 3,-0.6 0.956 108.4 53.1 -63.4 -56.4 -8.2 -43.3 28.7 258 82 D Y H 3X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.3 -1,-0.2 0.904 109.2 50.7 -46.3 -52.4 -11.5 -41.7 27.5 259 83 D N H 3X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -1,-0.3 0.860 112.3 48.2 -53.2 -40.2 -13.3 -45.0 28.1 260 84 D E H XX S+ 0 0 60 -4,-1.5 4,-1.0 -3,-0.6 3,-0.8 0.936 107.8 52.6 -67.4 -47.8 -11.8 -45.2 31.6 261 85 D L H 3X S+ 0 0 28 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.735 98.7 67.3 -64.5 -22.9 -12.7 -41.6 32.6 262 86 D S H 3< S+ 0 0 1 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.914 99.8 48.8 -60.5 -45.2 -16.3 -42.3 31.6 263 87 D L H << S+ 0 0 12 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.837 120.2 36.6 -61.7 -35.0 -16.7 -44.7 34.5 264 88 D T H < S+ 0 0 80 -4,-1.0 -2,-0.2 84,-0.0 -1,-0.2 0.588 94.9 100.5-101.2 -15.2 -15.2 -42.3 37.0 265 89 D T < - 0 0 14 -4,-1.9 -28,-0.0 -5,-0.2 -3,-0.0 -0.255 61.7-145.1 -71.5 159.9 -16.6 -38.9 35.7 266 90 D Q S S+ 0 0 114 3,-0.1 2,-0.4 -33,-0.0 -1,-0.1 0.363 72.0 92.2-101.7 2.8 -19.6 -37.1 37.2 267 91 D Y S S- 0 0 38 -31,-0.1 2,-2.8 2,-0.1 -2,-0.1 -0.802 96.6 -28.0-107.7 139.2 -20.8 -35.7 33.9 268 92 D Y S > S+ 0 0 42 -2,-0.4 3,-1.8 1,-0.2 4,-0.3 -0.272 115.8 75.1 70.1 -62.9 -23.2 -37.1 31.3 269 93 D Y G > S+ 0 0 15 -2,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.735 90.0 58.5 -60.5 -26.4 -22.9 -40.9 32.0 270 94 D P G 3 S+ 0 0 38 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.723 102.3 56.0 -71.2 -19.6 -24.9 -40.7 35.2 271 95 D L G <> S+ 0 0 1 -3,-1.8 4,-3.3 1,-0.2 3,-0.5 0.469 73.1 104.3 -89.9 -1.1 -27.9 -39.3 33.3 272 96 D Q H <> S+ 0 0 2 -3,-0.7 4,-3.1 -4,-0.3 5,-0.2 0.852 78.8 53.8 -52.6 -42.1 -28.2 -42.1 30.8 273 97 D N H > S+ 0 0 16 -3,-0.4 4,-2.0 -4,-0.2 -1,-0.3 0.943 115.5 40.6 -53.7 -48.3 -31.2 -43.6 32.6 274 98 D A H > S+ 0 0 0 -3,-0.5 4,-3.1 -4,-0.2 -2,-0.2 0.905 113.7 53.2 -65.4 -42.8 -32.8 -40.2 32.3 275 99 D I H X S+ 0 0 21 -4,-3.3 4,-1.8 2,-0.2 -2,-0.2 0.873 109.8 48.9 -63.8 -38.5 -31.5 -39.7 28.7 276 100 D I H X S+ 0 0 24 -4,-3.1 4,-2.3 -5,-0.2 5,-0.2 0.981 114.7 43.7 -60.1 -59.0 -33.0 -43.0 27.6 277 101 D E H X S+ 0 0 1 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.899 114.4 50.2 -53.1 -49.1 -36.4 -42.2 29.2 278 102 D F H X S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.2 3,-0.3 0.858 110.6 50.4 -60.0 -39.0 -36.4 -38.7 27.8 279 103 D Y H >X S+ 0 0 32 -4,-1.8 4,-1.9 -5,-0.2 3,-0.7 0.947 105.8 52.3 -68.6 -49.1 -35.5 -39.9 24.3 280 104 D T H 3< S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.680 112.2 50.4 -63.3 -16.2 -38.2 -42.5 24.0 281 105 D E H 3< S+ 0 0 91 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.769 123.7 23.6 -88.7 -29.0 -40.7 -39.8 25.0 282 106 D Y H << S+ 0 0 46 -4,-1.2 7,-0.6 -3,-0.7 6,-0.2 0.334 88.1 97.4-124.2 6.8 -39.7 -37.1 22.5 283 107 D Y S < S+ 0 0 111 -4,-1.9 -3,-0.1 1,-0.2 6,-0.1 0.880 86.3 54.9 -67.4 -35.2 -38.0 -38.8 19.5 284 108 D K S S+ 0 0 84 -5,-0.2 2,-0.9 -4,-0.2 -1,-0.2 0.933 92.9 76.2 -59.1 -47.3 -41.2 -38.7 17.6 285 109 D T S >> S- 0 0 68 -4,-0.2 4,-1.6 1,-0.2 3,-0.7 -0.555 77.4-154.8 -72.0 104.8 -41.5 -34.9 18.1 286 110 D N H 3> S+ 0 0 120 -2,-0.9 4,-2.2 1,-0.2 5,-0.2 0.757 81.5 69.3 -57.3 -33.5 -38.9 -33.6 15.6 287 111 D S H 3> S+ 0 0 95 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.935 109.5 33.1 -49.1 -56.2 -38.1 -30.3 17.3 288 112 D I H <> S+ 0 0 15 -3,-0.7 4,-2.7 -6,-0.2 -1,-0.2 0.905 112.4 61.8 -71.6 -44.2 -36.4 -32.0 20.3 289 113 D N H X S+ 0 0 27 -4,-1.6 4,-2.1 -7,-0.6 -1,-0.2 0.822 103.4 52.3 -50.4 -36.1 -35.0 -34.9 18.2 290 114 D E H X S+ 0 0 57 -4,-2.2 4,-1.5 2,-0.2 -1,-0.3 0.927 111.4 45.6 -64.2 -46.3 -33.1 -32.2 16.3 291 115 D K H X S+ 0 0 42 -4,-1.3 4,-1.0 -5,-0.2 -2,-0.2 0.817 113.0 51.8 -64.1 -33.4 -31.7 -30.8 19.5 292 116 D M H X S+ 0 0 14 -4,-2.7 4,-3.0 2,-0.2 3,-0.2 0.885 105.5 52.1 -73.1 -43.3 -30.9 -34.3 20.7 293 117 D N H X S+ 0 0 62 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.882 102.2 61.7 -60.2 -40.6 -28.9 -35.4 17.6 294 118 D K H X S+ 0 0 62 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.909 113.2 36.8 -47.7 -45.8 -26.9 -32.2 18.1 295 119 D L H X S+ 0 0 26 -4,-1.0 4,-3.4 -3,-0.2 5,-0.3 0.890 111.9 56.1 -77.4 -44.5 -25.8 -33.7 21.4 296 120 D E H X S+ 0 0 41 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.838 113.8 43.7 -59.2 -32.7 -25.6 -37.4 20.4 297 121 D N H X S+ 0 0 92 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.873 112.3 51.5 -76.9 -40.9 -23.2 -36.2 17.7 298 122 D K H X S+ 0 0 28 -4,-1.6 4,-0.8 -5,-0.3 3,-0.3 0.933 113.9 44.5 -59.3 -46.7 -21.2 -33.9 20.0 299 123 D Y H < S+ 0 0 11 -4,-3.4 3,-0.4 1,-0.2 4,-0.3 0.888 116.7 46.4 -64.4 -40.3 -20.9 -36.8 22.6 300 124 D I H X S+ 0 0 25 -4,-1.4 4,-1.6 -5,-0.3 3,-0.5 0.617 96.1 76.0 -77.5 -14.8 -19.9 -39.2 19.8 301 125 D D H X S+ 0 0 79 -4,-1.3 4,-3.3 -3,-0.3 5,-0.3 0.885 81.4 67.2 -66.3 -39.1 -17.4 -36.7 18.2 302 126 D A H X S+ 0 0 15 -4,-0.8 4,-1.9 -3,-0.4 -1,-0.2 0.864 106.7 42.2 -47.3 -42.2 -14.8 -37.4 20.9 303 127 D Y H > S+ 0 0 0 -3,-0.5 4,-2.8 -4,-0.3 5,-0.3 0.873 111.1 55.8 -72.3 -39.6 -14.5 -40.9 19.5 304 128 D H H X S+ 0 0 44 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.933 109.2 46.8 -57.8 -47.8 -14.6 -39.6 15.9 305 129 D V H X S+ 0 0 52 -4,-3.3 4,-2.9 2,-0.2 5,-0.4 0.968 112.0 50.5 -56.3 -56.2 -11.7 -37.3 16.6 306 130 D I H X S+ 0 0 3 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.909 116.9 39.8 -47.7 -52.1 -9.7 -40.1 18.3 307 131 D F H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 11,-0.3 0.869 114.7 53.1 -70.8 -38.3 -10.3 -42.5 15.3 308 132 D K H X S+ 0 0 123 -4,-3.0 4,-2.8 -5,-0.3 3,-0.2 0.979 113.5 41.8 -58.0 -58.1 -9.8 -39.8 12.7 309 133 D E H X S+ 0 0 89 -4,-2.9 4,-4.3 1,-0.2 -2,-0.2 0.925 112.5 55.4 -56.9 -47.5 -6.4 -38.7 14.1 310 134 D G H <>S+ 0 0 0 -4,-2.3 5,-3.1 -5,-0.4 6,-0.9 0.869 109.9 46.3 -53.7 -41.8 -5.4 -42.3 14.6 311 135 D N H ><5S+ 0 0 49 -4,-2.2 3,-1.3 -3,-0.2 -1,-0.2 0.952 116.8 43.8 -62.1 -51.3 -6.1 -43.0 10.9 312 136 D L H 3<5S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.880 113.1 52.9 -63.0 -38.4 -4.2 -39.9 9.9 313 137 D N T 3<5S- 0 0 65 -4,-4.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.020 116.3-111.4 -91.7 28.6 -1.4 -40.7 12.4 314 138 D G T < 5S+ 0 0 71 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.656 82.3 121.4 59.1 25.5 -0.9 -44.3 11.1 315 139 D E S + 0 0 81 1,-0.2 4,-1.6 -3,-0.1 -1,-0.3 -0.844 65.2 165.3 -95.9 101.1 -15.9 -46.1 8.3 321 145 D V H > S+ 0 0 17 -2,-0.9 4,-3.3 -3,-0.3 5,-0.3 0.931 77.5 59.1 -71.7 -51.7 -14.9 -43.8 11.2 322 146 D N H > S+ 0 0 105 1,-0.2 4,-1.0 -3,-0.2 -1,-0.1 0.770 110.8 43.4 -47.7 -33.9 -18.5 -42.4 11.5 323 147 D A H > S+ 0 0 11 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.957 114.5 45.1 -76.9 -56.9 -19.7 -46.0 12.2 324 148 D V H X S+ 0 0 3 -4,-1.6 4,-3.8 1,-0.2 5,-0.3 0.876 108.5 58.9 -61.2 -39.4 -17.0 -47.2 14.6 325 149 D S H X S+ 0 0 0 -4,-3.3 4,-3.4 1,-0.2 -1,-0.2 0.958 109.6 43.3 -48.3 -56.3 -17.3 -44.0 16.6 326 150 D K H X S+ 0 0 71 -4,-1.0 4,-1.9 -5,-0.3 5,-0.3 0.880 114.8 50.6 -59.1 -40.6 -21.0 -44.7 17.2 327 151 D I H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.961 114.7 42.9 -62.2 -51.5 -20.1 -48.3 17.9 328 152 D A H X S+ 0 0 0 -4,-3.8 4,-3.0 1,-0.2 5,-0.3 0.962 112.7 52.4 -57.0 -56.1 -17.4 -47.4 20.4 329 153 D A H X S+ 0 0 10 -4,-3.4 4,-1.5 -5,-0.3 -1,-0.2 0.809 118.8 36.6 -51.5 -37.3 -19.5 -44.6 22.0 330 154 D N H X S+ 0 0 18 -4,-1.9 4,-3.3 -5,-0.2 -2,-0.2 0.918 114.7 51.4 -85.2 -49.4 -22.4 -47.0 22.6 331 155 D A H X S+ 0 0 0 -4,-3.3 4,-2.1 -5,-0.3 -2,-0.2 0.902 115.7 45.3 -52.6 -42.7 -20.5 -50.2 23.5 332 156 D V H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.3 -1,-0.2 0.963 112.7 48.2 -66.6 -52.7 -18.6 -48.1 26.0 333 157 D N H X S+ 0 0 4 -4,-1.5 4,-2.9 -5,-0.3 5,-0.3 0.854 110.3 55.4 -53.8 -36.9 -21.7 -46.4 27.4 334 158 D G H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.927 108.8 45.7 -60.0 -47.8 -23.2 -49.9 27.5 335 159 D I H < S+ 0 0 2 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.892 115.4 49.2 -61.7 -39.8 -20.2 -51.1 29.6 336 160 D V H >< S+ 0 0 8 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.966 119.9 30.5 -65.6 -54.3 -20.6 -48.0 31.8 337 161 D T H >< S+ 0 0 7 -4,-2.9 3,-0.8 1,-0.2 -3,-0.2 0.764 114.9 55.2 -87.4 -26.2 -24.3 -48.0 32.6 338 162 D F T 3< S+ 0 0 18 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.1 0.291 112.4 45.0 -93.2 10.9 -25.2 -51.7 32.5 339 163 D T T X S+ 0 0 1 -3,-0.6 2,-1.2 -4,-0.3 3,-0.6 -0.079 72.6 130.6-132.6 34.6 -22.5 -52.5 35.1 340 164 D H T < + 0 0 98 -3,-0.8 3,-0.1 1,-0.2 -3,-0.1 -0.725 58.2 69.3 -86.2 93.8 -23.3 -49.6 37.6 341 165 D E T 3 S+ 0 0 52 -2,-1.2 -1,-0.2 1,-0.3 3,-0.1 0.330 86.9 39.1-171.8 -51.3 -23.4 -51.7 40.7 342 166 D Q S < S- 0 0 64 -3,-0.6 -1,-0.3 1,-0.2 5,-0.1 -0.187 96.8 -14.9-119.0-162.2 -20.1 -53.2 41.9 343 167 D N > - 0 0 86 1,-0.2 4,-2.7 -2,-0.1 -1,-0.2 -0.152 44.1-147.2 -50.1 120.3 -16.4 -52.5 42.3 344 168 D I H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.786 102.2 56.4 -54.9 -30.1 -15.1 -49.4 40.4 345 169 D N H > S+ 0 0 108 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.932 108.2 43.3 -70.1 -47.4 -11.9 -51.3 40.0 346 170 D E H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.845 112.3 56.4 -65.0 -33.2 -13.5 -54.3 38.3 347 171 D R H X S+ 0 0 20 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.924 113.8 38.5 -59.7 -44.6 -15.5 -51.7 36.3 348 172 D I H X S+ 0 0 34 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.863 113.3 56.0 -74.4 -37.3 -12.1 -50.2 35.2 349 173 D K H X S+ 0 0 65 -4,-3.4 4,-1.1 2,-0.2 -2,-0.2 0.896 113.2 42.7 -59.0 -41.1 -10.5 -53.7 34.8 350 174 D L H >X S+ 0 0 17 -4,-2.5 4,-2.0 2,-0.2 3,-0.6 0.967 111.5 52.3 -68.8 -54.7 -13.4 -54.7 32.5 351 175 D M H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 5,-0.2 0.858 108.8 51.6 -51.4 -42.6 -13.4 -51.4 30.5 352 176 D N H 3X S+ 0 0 39 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.861 106.6 53.0 -65.7 -36.0 -9.7 -51.7 29.8 353 177 D K H 0 0 145 0, 0.0 4,-3.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -40.3 -43.5 -49.3 15.3 366 3 A L H > + 0 0 54 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.665 360.0 53.3 -74.7 -19.1 -44.8 -52.6 16.8 367 4 A K H > S+ 0 0 88 2,-0.2 4,-2.5 3,-0.1 -1,-0.2 0.922 114.4 40.7 -69.6 -51.5 -48.1 -50.7 17.3 368 5 A D H > S+ 0 0 100 2,-0.2 4,-3.8 1,-0.2 -2,-0.2 0.894 114.9 51.5 -61.8 -42.9 -48.0 -49.8 13.6 369 6 A K H X S+ 0 0 86 -4,-3.4 4,-2.8 2,-0.2 5,-0.3 0.905 110.4 49.0 -64.6 -41.8 -46.7 -53.3 12.6 370 7 A I H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.948 115.4 44.6 -58.5 -50.0 -49.6 -54.9 14.6 371 8 A L H X S+ 0 0 10 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.951 115.6 47.0 -58.2 -52.0 -52.0 -52.5 12.9 372 9 A G H X S+ 0 0 36 -4,-3.8 4,-2.0 2,-0.2 -2,-0.2 0.893 116.3 42.9 -59.5 -45.7 -50.5 -53.1 9.4 373 10 A V H X S+ 0 0 29 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.896 114.7 51.6 -66.7 -42.6 -50.3 -56.9 9.7 374 11 A A H X S+ 0 0 0 -4,-2.7 4,-3.4 -5,-0.3 5,-0.2 0.938 107.4 53.2 -58.8 -48.7 -53.8 -56.9 11.2 375 12 A K H X S+ 0 0 46 -4,-3.3 4,-3.3 1,-0.2 5,-0.2 0.949 111.7 44.5 -51.3 -55.4 -55.1 -54.8 8.3 376 13 A E H X S+ 0 0 108 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.906 113.2 51.1 -58.7 -44.3 -53.8 -57.2 5.8 377 14 A L H X S+ 0 0 18 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.942 112.4 46.3 -58.4 -49.0 -55.1 -60.2 7.8 378 15 A F H X S+ 0 0 1 -4,-3.4 4,-3.3 1,-0.2 -2,-0.2 0.965 114.7 47.1 -56.8 -53.1 -58.5 -58.7 7.9 379 16 A I H < S+ 0 0 51 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.852 118.1 44.0 -53.9 -37.3 -58.4 -57.8 4.2 380 17 A K H < S+ 0 0 159 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.878 135.2 9.2 -80.3 -39.9 -57.2 -61.4 3.5 381 18 A N H < S- 0 0 79 -4,-3.3 4,-0.5 1,-0.3 -3,-0.2 0.312 102.8-111.4-129.6 7.5 -59.5 -63.4 5.8 382 19 A G X - 0 0 14 -4,-3.3 4,-1.0 -5,-0.3 -1,-0.3 -0.108 38.6 -73.9 83.9 174.5 -62.2 -61.0 7.1 383 20 A Y T 4 S+ 0 0 1 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.938 124.9 44.3 -75.3 -51.9 -62.8 -59.7 10.6 384 21 A N T 4 S+ 0 0 74 1,-0.2 -1,-0.1 -6,-0.1 -2,-0.1 0.893 113.8 50.4 -62.8 -42.0 -64.3 -62.8 12.4 385 22 A A T 4 S+ 0 0 58 -4,-0.5 2,-0.2 -7,-0.1 -1,-0.2 0.811 90.5 88.5 -69.5 -34.2 -61.8 -65.2 10.9 386 23 A T < - 0 0 0 -4,-1.0 2,-0.2 -3,-0.1 -8,-0.0 -0.512 68.0-155.1 -67.7 130.0 -58.7 -63.2 11.9 387 24 A T > - 0 0 60 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.564 25.3-122.1-100.2 168.5 -57.5 -64.1 15.4 388 25 A T H > S+ 0 0 44 -2,-0.2 4,-3.2 2,-0.2 5,-0.1 0.859 113.6 57.4 -72.7 -37.5 -55.4 -62.1 17.9 389 26 A G H > S+ 0 0 43 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.874 105.4 50.2 -61.7 -40.4 -52.8 -64.8 17.9 390 27 A E H > S+ 0 0 70 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.993 112.7 45.8 -57.1 -61.6 -52.3 -64.5 14.2 391 28 A I H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.889 117.1 47.1 -47.2 -47.7 -51.9 -60.7 14.5 392 29 A V H ><>S+ 0 0 17 -4,-3.2 5,-2.0 2,-0.2 3,-0.7 0.982 117.2 38.1 -58.6 -65.2 -49.6 -61.3 17.4 393 30 A K H ><5S+ 0 0 73 -4,-3.2 3,-1.4 1,-0.3 -2,-0.2 0.883 116.4 51.4 -58.6 -44.9 -47.3 -64.0 15.9 394 31 A L H 3<5S+ 0 0 104 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.748 112.4 46.3 -68.4 -25.4 -47.2 -62.6 12.4 395 32 A S T <<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.334 111.8-120.1 -96.4 7.3 -46.2 -59.1 13.7 396 33 A E T < 5S+ 0 0 141 -3,-1.4 -3,-0.2 -4,-0.3 2,-0.1 0.957 77.7 111.2 49.7 56.7 -43.6 -60.7 16.0 397 34 A S < - 0 0 8 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.1 -0.246 64.2-100.8-128.1-144.9 -45.3 -59.2 19.0 398 35 A S > - 0 0 19 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.992 19.7-119.9-151.1 150.1 -47.2 -60.6 22.0 399 36 A K H > S+ 0 0 64 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.891 118.2 57.4 -53.4 -38.2 -50.8 -61.1 23.1 400 37 A G H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.920 107.2 43.1 -58.2 -50.9 -49.7 -58.9 26.1 401 38 A N H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.870 112.9 53.3 -66.7 -39.0 -48.5 -55.9 23.9 402 39 A L H X>S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 5,-0.7 0.921 110.4 48.2 -58.5 -45.6 -51.6 -56.2 21.7 403 40 A Y H X5S+ 0 0 23 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.843 109.5 52.9 -63.8 -35.3 -53.8 -56.0 24.9 404 41 A Y H <5S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.772 118.0 35.4 -73.0 -27.9 -51.8 -53.0 26.1 405 42 A H H <5S+ 0 0 54 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.788 141.1 5.6 -93.2 -34.3 -52.3 -51.1 22.9 406 43 A F H <5S- 0 0 2 -4,-2.5 2,-3.0 -5,-0.2 5,-0.3 0.520 71.8-150.7-130.9 -13.0 -55.8 -52.1 21.9 407 44 A K S < S- 0 0 43 -2,-3.0 4,-2.2 1,-0.1 5,-0.1 -0.757 79.0-113.0-126.1 168.7 -59.5 -56.2 22.2 409 46 A K H > S+ 0 0 31 -2,-0.2 4,-3.1 2,-0.2 5,-0.2 0.884 117.3 60.1 -63.3 -37.4 -59.7 -57.2 18.5 410 47 A E H > S+ 0 0 52 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.921 109.7 39.1 -56.6 -51.4 -62.7 -54.9 18.3 411 48 A N H > S+ 0 0 39 -5,-0.3 4,-2.3 2,-0.2 5,-0.2 0.889 112.0 57.2 -65.7 -43.1 -60.7 -51.9 19.3 412 49 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.4 0.961 109.4 46.2 -52.5 -52.5 -57.7 -52.9 17.3 413 50 A F H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.822 108.2 57.9 -57.9 -35.4 -60.0 -53.0 14.3 414 51 A L H X S+ 0 0 1 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.885 106.4 46.8 -64.2 -41.0 -61.4 -49.6 15.3 415 52 A E H X S+ 0 0 50 -4,-2.3 4,-2.9 -3,-0.4 5,-0.2 0.895 108.5 56.0 -67.5 -40.1 -57.9 -48.0 15.3 416 53 A I H X S+ 0 0 3 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.939 111.4 44.6 -51.6 -47.5 -57.4 -49.6 11.9 417 54 A L H X S+ 0 0 16 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.883 109.3 55.6 -63.4 -41.5 -60.6 -47.8 10.9 418 55 A N H X S+ 0 0 47 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.889 111.2 45.5 -57.6 -40.7 -59.4 -44.5 12.6 419 56 A I H X S+ 0 0 56 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.954 111.0 52.0 -66.5 -49.1 -56.3 -44.7 10.5 420 57 A E H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.835 109.6 49.5 -60.1 -35.9 -58.2 -45.5 7.3 421 58 A E H X S+ 0 0 27 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.943 111.6 49.3 -65.3 -46.3 -60.5 -42.5 7.9 422 59 A S H X S+ 0 0 62 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.915 113.4 46.4 -57.1 -45.2 -57.4 -40.3 8.4 423 60 A K H X S+ 0 0 102 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.894 112.0 51.8 -61.6 -42.9 -55.9 -41.7 5.2 424 61 A W H X S+ 0 0 33 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.968 107.9 50.3 -58.7 -53.1 -59.3 -41.1 3.5 425 62 A Q H X S+ 0 0 66 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.860 108.6 54.1 -55.3 -37.6 -59.4 -37.5 4.6 426 63 A E H X S+ 0 0 133 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.922 105.9 51.4 -62.6 -46.2 -55.9 -37.0 3.3 427 64 A Q H X S+ 0 0 104 -4,-2.1 4,-4.1 1,-0.2 3,-0.4 0.945 111.0 49.7 -52.2 -49.6 -56.9 -38.3 -0.1 428 65 A W H X S+ 0 0 21 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.880 105.2 55.0 -60.9 -43.3 -59.8 -35.9 -0.1 429 66 A K H < S+ 0 0 45 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.838 119.7 34.8 -58.6 -35.1 -57.6 -32.8 0.8 430 67 A K H >< S+ 0 0 67 -4,-1.6 3,-1.2 -3,-0.4 4,-0.2 0.908 119.9 48.3 -82.1 -49.0 -55.4 -33.6 -2.2 431 68 A E H >< S+ 0 0 62 -4,-4.1 3,-1.6 1,-0.2 -3,-0.2 0.792 97.6 69.8 -64.5 -31.8 -58.1 -34.9 -4.5 432 69 A Q G >< S+ 0 0 43 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.601 77.1 80.8 -70.0 -11.0 -60.5 -31.9 -3.9 433 70 A I G < S+ 0 0 130 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.838 82.6 65.0 -60.5 -31.3 -58.1 -29.5 -5.8 434 71 A K G < S+ 0 0 147 -3,-1.6 2,-0.6 -4,-0.2 -1,-0.3 0.589 95.5 69.3 -64.6 -9.8 -59.7 -31.0 -9.0 435 72 A A < + 0 0 4 -3,-1.8 -1,-0.1 1,-0.2 6,-0.1 -0.921 60.5 179.5-117.4 105.5 -63.0 -29.3 -7.7 436 73 A K + 0 0 179 -2,-0.6 -1,-0.2 4,-0.1 2,-0.1 0.994 66.8 43.6 -68.9 -63.3 -62.9 -25.5 -7.8 437 74 A T S > S- 0 0 39 1,-0.1 4,-2.7 65,-0.0 5,-0.1 -0.417 84.6-118.9 -85.0 158.4 -66.4 -24.7 -6.4 438 75 A N H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.760 118.2 59.1 -66.6 -25.0 -68.1 -26.3 -3.5 439 76 A R H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 108.8 44.6 -62.4 -45.0 -70.8 -27.4 -5.9 440 77 A E H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.913 110.8 53.2 -65.8 -43.7 -68.0 -29.2 -7.8 441 78 A K H X S+ 0 0 31 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.881 107.6 52.0 -59.3 -39.5 -66.5 -30.6 -4.5 442 79 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.935 110.4 48.2 -62.4 -48.0 -70.0 -32.0 -3.6 443 80 A Y H X S+ 0 0 42 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.937 116.4 44.2 -53.2 -50.2 -70.2 -33.8 -7.0 444 81 A L H >X S+ 0 0 26 -4,-2.6 4,-2.7 1,-0.2 3,-0.5 0.960 107.1 55.3 -64.6 -57.4 -66.7 -35.1 -6.6 445 82 A Y H 3X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.3 -1,-0.2 0.838 109.5 49.8 -46.9 -40.1 -66.8 -36.4 -3.0 446 83 A N H 3X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.3 0.892 110.8 48.6 -68.5 -40.5 -69.9 -38.4 -3.9 447 84 A E H XX S+ 0 0 57 -4,-1.5 4,-3.5 -3,-0.5 3,-0.6 0.987 113.5 46.9 -59.5 -58.5 -68.1 -40.0 -7.0 448 85 A L H 3X>S+ 0 0 20 -4,-2.7 4,-2.2 1,-0.3 5,-0.6 0.908 108.7 55.5 -48.1 -50.0 -65.0 -40.8 -4.9 449 86 A S H 3X5S+ 0 0 5 -4,-2.6 4,-0.6 -5,-0.3 -1,-0.3 0.881 117.2 36.7 -52.9 -40.9 -67.2 -42.2 -2.2 450 87 A L H X5S+ 0 0 36 -4,-3.5 4,-0.9 1,-0.2 3,-0.7 0.968 115.8 49.0 -64.1 -56.3 -65.7 -45.3 -6.9 452 89 A T H 3<5S+ 0 0 18 -4,-2.2 -1,-0.2 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604 54 E L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.827 104.3 54.0 -67.3 -34.6 -38.0 -60.4 34.4 605 55 E N H X S+ 0 0 83 -4,-1.2 4,-1.5 -3,-0.3 -2,-0.2 0.939 110.9 46.7 -64.7 -46.8 -38.1 -64.2 35.0 606 56 E I H X S+ 0 0 58 -4,-2.1 4,-3.3 2,-0.2 3,-0.3 0.960 113.5 48.7 -54.8 -55.3 -40.5 -64.6 32.1 607 57 E E H X S+ 0 0 5 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.925 112.8 44.4 -56.3 -53.3 -38.5 -62.3 29.8 608 58 E E H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.747 116.1 49.4 -68.6 -22.7 -35.1 -64.0 30.4 609 59 E S H X S+ 0 0 75 -4,-1.5 4,-2.6 -3,-0.3 -2,-0.2 0.903 111.7 47.6 -75.3 -46.9 -36.7 -67.4 30.1 610 60 E K H X S+ 0 0 94 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.902 113.9 49.0 -56.7 -44.0 -38.5 -66.3 26.8 611 61 E W H X S+ 0 0 6 -4,-3.1 4,-2.6 -5,-0.2 5,-0.2 0.934 110.0 49.8 -61.9 -49.2 -35.1 -65.0 25.6 612 62 E Q H X S+ 0 0 44 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.924 114.0 46.0 -55.4 -47.4 -33.3 -68.2 26.5 613 63 E E H X S+ 0 0 86 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.837 112.0 50.9 -66.1 -36.3 -35.9 -70.2 24.7 614 64 E Q H X S+ 0 0 41 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.877 114.2 44.5 -67.5 -38.1 -35.9 -67.9 21.7 615 65 E W H X S+ 0 0 17 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.862 105.4 60.8 -74.0 -37.6 -32.1 -68.2 21.5 616 66 E K H < S+ 0 0 136 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.892 114.4 37.7 -53.6 -42.2 -32.2 -72.0 22.0 617 67 E K H >< S+ 0 0 130 -4,-1.4 3,-0.9 2,-0.1 4,-0.5 0.947 117.9 48.0 -71.4 -53.8 -34.2 -72.1 18.8 618 68 E E H >< S+ 0 0 47 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.825 98.7 67.2 -61.9 -34.7 -32.3 -69.4 16.9 619 69 E Q G >< S+ 0 0 54 -4,-3.0 3,-2.1 1,-0.3 -1,-0.2 0.767 85.3 70.5 -65.0 -29.2 -28.8 -70.6 17.6 620 70 E I G < S+ 0 0 135 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.936 88.2 67.0 -43.6 -49.2 -29.3 -73.8 15.5 621 71 E K G < S+ 0 0 148 -3,-1.2 2,-0.5 -4,-0.5 -1,-0.3 0.520 92.7 70.1 -58.7 -8.7 -29.2 -71.4 12.5 622 72 E A < - 0 0 6 -3,-2.1 6,-0.0 1,-0.2 -1,-0.0 -0.965 59.6-171.1-115.3 127.3 -25.5 -70.6 13.2 623 73 E K + 0 0 90 -2,-0.5 -1,-0.2 4,-0.0 -2,-0.0 0.987 69.8 42.7 -76.3 -67.5 -22.9 -73.3 12.5 624 74 E T S > S- 0 0 52 1,-0.1 4,-1.8 4,-0.0 60,-0.1 -0.100 82.0-120.0 -74.5 173.4 -19.7 -71.8 14.0 625 75 E N H > S+ 0 0 20 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.835 115.6 59.3 -79.7 -38.7 -19.4 -69.8 17.3 626 76 E R H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.952 109.8 45.3 -50.2 -48.6 -18.2 -66.8 15.4 627 77 E E H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.958 109.9 52.4 -59.8 -54.3 -21.6 -67.0 13.6 628 78 E K H X S+ 0 0 43 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.842 106.8 55.4 -51.1 -36.8 -23.5 -67.6 16.9 629 79 E F H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.927 109.4 45.0 -65.1 -45.3 -21.9 -64.5 18.3 630 80 E Y H X S+ 0 0 29 -4,-1.8 4,-2.0 -3,-0.3 -2,-0.2 0.933 116.8 47.1 -59.0 -46.5 -23.1 -62.3 15.4 631 81 E L H X S+ 0 0 38 -4,-2.7 4,-2.9 2,-0.2 3,-0.4 0.963 111.1 47.4 -66.4 -55.3 -26.5 -63.9 15.6 632 82 E Y H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.894 112.7 53.7 -50.2 -42.5 -27.0 -63.6 19.3 633 83 E N H X S+ 0 0 0 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.873 111.8 42.0 -62.1 -40.0 -25.8 -60.0 19.0 634 84 E E H >X S+ 0 0 53 -4,-2.0 4,-2.0 -3,-0.4 3,-0.7 0.834 105.8 62.2 -80.5 -32.4 -28.4 -59.1 16.3 635 85 E L H 3X S+ 0 0 3 -4,-2.9 4,-4.0 1,-0.3 -2,-0.2 0.935 95.2 64.0 -52.7 -45.4 -31.2 -60.9 18.0 636 86 E S H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.881 106.2 44.6 -42.7 -43.8 -30.6 -58.4 20.8 637 87 E L H << S+ 0 0 10 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.948 123.0 32.3 -67.8 -51.3 -31.7 -55.8 18.3 638 88 E T H < S+ 0 0 67 -4,-2.0 -2,-0.2 80,-0.0 -3,-0.2 0.858 96.3 103.6 -78.4 -36.1 -34.7 -57.5 16.8 639 89 E T < - 0 0 12 -4,-4.0 -28,-0.0 -5,-0.2 -243,-0.0 0.065 56.7-153.7 -54.7 156.6 -35.9 -59.4 19.9 640 90 E Q + 0 0 31 -243,-0.1 2,-0.4 3,-0.1 -1,-0.1 0.218 68.3 94.3-108.9 10.6 -38.9 -58.4 22.0 641 91 E Y S S- 0 0 34 -31,-0.1 2,-3.1 3,-0.1 -2,-0.1 -0.895 99.1 -33.2-118.8 132.5 -37.5 -60.1 25.2 642 92 E Y S > S+ 0 0 8 -2,-0.4 3,-1.8 1,-0.2 4,-0.2 -0.320 119.2 76.6 65.7 -64.7 -35.4 -58.7 28.1 643 93 E Y G > S+ 0 0 4 -2,-3.1 3,-0.8 1,-0.3 -1,-0.2 0.726 90.9 54.7 -53.1 -33.2 -33.5 -56.2 25.9 644 94 E P G 3 S+ 0 0 46 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.830 105.0 54.5 -63.4 -34.0 -36.4 -53.7 25.8 645 95 E L G <> S+ 0 0 0 -3,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.236 76.2 111.5 -84.6 15.5 -36.7 -53.7 29.6 646 96 E Q H <> S+ 0 0 8 -3,-0.8 4,-2.9 1,-0.2 5,-0.2 0.897 76.4 45.6 -63.2 -45.4 -33.0 -52.7 30.0 647 97 E N H > S+ 0 0 17 -3,-0.5 4,-2.4 1,-0.2 5,-0.2 0.936 113.7 50.5 -60.7 -46.1 -33.6 -49.2 31.3 648 98 E A H > S+ 0 0 2 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.843 113.8 46.9 -60.9 -34.3 -36.3 -50.5 33.7 649 99 E I H X S+ 0 0 13 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.987 110.0 49.1 -69.2 -61.6 -33.8 -53.1 34.9 650 100 E I H X S+ 0 0 11 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.892 115.4 46.5 -47.3 -47.5 -30.8 -50.9 35.3 651 101 E E H X S+ 0 0 4 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.956 113.1 47.9 -57.0 -55.1 -32.9 -48.5 37.3 652 102 E F H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.892 112.3 51.2 -54.5 -43.1 -34.5 -51.2 39.4 653 103 E Y H >X S+ 0 0 24 -4,-3.5 3,-1.1 1,-0.2 4,-0.6 0.985 111.3 44.8 -58.4 -59.8 -31.1 -52.7 40.1 654 104 E T H 3< S+ 0 0 35 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.810 115.4 49.9 -58.9 -30.5 -29.5 -49.4 41.2 655 105 E E H 3< S+ 0 0 80 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.745 126.7 23.4 -78.9 -24.0 -32.6 -48.7 43.4 656 106 E Y H << S+ 0 0 49 -4,-1.6 7,-0.5 -3,-1.1 -2,-0.2 -0.023 82.8 109.7-133.3 32.6 -32.6 -52.2 45.0 657 107 E Y S < S+ 0 0 120 -4,-0.6 -3,-0.1 -3,-0.3 -2,-0.1 0.677 78.9 60.0 -80.7 -15.8 -29.1 -53.5 44.8 658 108 E K S S+ 0 0 76 -5,-0.2 -1,-0.2 -4,-0.2 2,-0.1 0.939 82.5 89.7 -70.9 -50.3 -28.7 -53.1 48.6 659 109 E T S > S- 0 0 64 1,-0.1 4,-2.2 2,-0.1 5,-0.2 -0.302 71.6-149.6 -55.2 119.5 -31.6 -55.4 49.4 660 110 E N H > S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.896 89.5 51.4 -61.8 -48.9 -30.0 -58.9 49.7 661 111 E S H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.1 5,-0.2 0.943 116.5 39.4 -54.7 -56.3 -33.0 -61.0 48.6 662 112 E I H > S+ 0 0 22 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.987 113.7 52.5 -58.4 -64.8 -33.5 -59.0 45.3 663 113 E N H X S+ 0 0 42 -4,-2.2 4,-2.2 -7,-0.5 -1,-0.2 0.781 108.6 54.6 -41.8 -37.4 -29.8 -58.5 44.5 664 114 E E H X S+ 0 0 61 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.985 116.6 33.2 -62.4 -60.0 -29.3 -62.3 44.9 665 115 E K H X S+ 0 0 105 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.736 116.7 58.9 -70.3 -23.5 -32.1 -63.3 42.4 666 116 E M H X S+ 0 0 3 -4,-3.4 4,-1.7 -5,-0.2 -1,-0.2 0.858 110.6 40.9 -70.8 -39.7 -31.3 -60.2 40.4 667 117 E N H X S+ 0 0 55 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.791 107.3 64.2 -75.2 -31.0 -27.7 -61.4 40.0 668 118 E K H X S+ 0 0 54 -4,-2.2 4,-1.4 2,-0.2 3,-0.4 0.950 106.1 44.6 -50.7 -50.9 -29.2 -64.9 39.4 669 119 E L H X S+ 0 0 11 -4,-1.9 4,-2.8 1,-0.2 3,-0.4 0.952 106.7 57.4 -58.9 -54.0 -30.7 -63.4 36.3 670 120 E E H X S+ 0 0 29 -4,-1.7 4,-1.7 1,-0.3 -1,-0.2 0.745 104.8 53.9 -54.9 -26.9 -27.6 -61.6 35.1 671 121 E N H X S+ 0 0 112 -4,-1.5 4,-3.2 -3,-0.4 -1,-0.3 0.931 110.0 45.1 -69.1 -48.5 -25.7 -64.9 35.1 672 122 E K H X S+ 0 0 144 -4,-1.4 4,-0.7 -3,-0.4 -2,-0.2 0.920 112.0 54.8 -58.1 -45.9 -28.3 -66.6 32.9 673 123 E Y H < S+ 0 0 16 -4,-2.8 3,-0.4 1,-0.2 4,-0.2 0.902 117.2 34.6 -51.9 -47.8 -28.2 -63.5 30.7 674 124 E I H >X S+ 0 0 25 -4,-1.7 3,-2.8 -5,-0.2 4,-1.7 0.840 96.2 81.4 -82.3 -36.2 -24.4 -63.7 30.2 675 125 E D H 3X S+ 0 0 83 -4,-3.2 4,-3.2 1,-0.3 5,-0.2 0.734 83.7 66.8 -45.6 -29.3 -24.0 -67.5 30.2 676 126 E A H 3X S+ 0 0 15 -4,-0.7 4,-1.4 -3,-0.4 -1,-0.3 0.879 107.0 39.0 -58.5 -41.0 -25.1 -67.4 26.5 677 127 E Y H <> S+ 0 0 0 -3,-2.8 4,-3.3 -4,-0.2 5,-0.3 0.915 113.0 56.4 -72.2 -46.4 -21.8 -65.5 25.7 678 128 E H H X S+ 0 0 50 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.926 109.7 46.0 -47.7 -50.4 -19.9 -67.7 28.2 679 129 E V H X S+ 0 0 69 -4,-3.2 4,-1.7 2,-0.2 5,-0.3 0.881 112.2 50.5 -63.2 -41.7 -21.1 -70.7 26.2 680 130 E I H X S+ 0 0 3 -4,-1.4 4,-1.0 -5,-0.2 -2,-0.2 0.967 115.6 42.2 -59.8 -52.6 -20.2 -69.1 22.9 681 131 E F H X S+ 0 0 0 -4,-3.3 4,-1.5 3,-0.2 -2,-0.2 0.898 120.3 43.0 -64.0 -41.7 -16.8 -68.2 24.0 682 132 E K H >X S+ 0 0 121 -4,-3.1 4,-1.7 -5,-0.3 3,-1.1 1.000 114.7 43.4 -68.2 -69.1 -16.1 -71.5 25.8 683 133 E E H 3< S+ 0 0 47 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.630 121.7 45.6 -57.1 -13.7 -17.5 -74.2 23.3 684 134 E G H 3<>S+ 0 0 0 -4,-1.0 5,-2.1 -5,-0.3 6,-0.5 0.691 103.2 62.8 -94.2 -29.0 -15.7 -72.1 20.6 685 135 E N H X<5S+ 0 0 47 -4,-1.5 3,-1.3 -3,-1.1 5,-0.4 0.972 112.1 36.4 -57.0 -56.2 -12.5 -71.7 22.6 686 136 E L T 3<5S+ 0 0 143 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.607 108.6 67.1 -75.0 -13.6 -11.9 -75.4 22.5 687 137 E N T 3 5S- 0 0 57 -5,-0.4 -1,-0.3 3,-0.0 -2,-0.2 0.187 116.5-115.3 -87.3 13.5 -13.4 -75.5 19.0 688 138 E G T < 5S+ 0 0 69 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.746 80.7 121.5 67.2 32.5 -10.3 -73.5 17.9 689 139 E E S > - 0 0 105 1,-0.2 3,-1.3 2,-0.0 4,-1.2 -0.781 66.8-179.4-101.0 88.8 -10.8 -65.6 31.5 695 145 E V H 3> S+ 0 0 14 -2,-0.9 4,-3.3 -3,-0.4 5,-0.3 0.913 75.2 72.1 -45.0 -52.4 -13.9 -65.9 29.4 696 146 E N H 3> S+ 0 0 92 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.772 101.0 43.9 -35.9 -43.6 -16.0 -64.7 32.3 697 147 E A H <> S+ 0 0 28 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.945 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