==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 27-AUG-01 1JUS . COMPND 2 MOLECULE: HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.A.SCHUMACHER,M.C.MILLER,S.GRKOVIC,M.H.BROWN,R.A.SKURRAY, . 744 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 81.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 23 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 475 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 5 3 1 1 3 1 1 2 2 3 7 1 0 0 1 0 1 2 0 3 0 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 B N 0 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.3 -98.2 -74.7 9.2 2 3 B L >> + 0 0 80 3,-0.1 3,-1.7 2,-0.1 4,-1.3 0.736 360.0 17.5-100.5 -94.8 -95.0 -76.2 7.6 3 4 B K H 3> S+ 0 0 66 1,-0.3 4,-2.1 2,-0.2 3,-0.1 0.813 129.4 56.1 -51.3 -30.1 -93.1 -74.1 5.0 4 5 B D H 34 S+ 0 0 89 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.765 105.4 47.6 -75.5 -27.6 -95.0 -71.2 6.4 5 6 B K H <> S+ 0 0 110 -3,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.593 112.1 51.3 -89.6 -10.1 -93.8 -71.8 10.0 6 7 B I H X S+ 0 0 2 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.884 101.9 58.4 -86.0 -48.0 -90.2 -72.2 8.8 7 8 B L H X S+ 0 0 16 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.741 109.6 48.5 -52.1 -24.0 -90.3 -68.9 6.8 8 9 B G H > S+ 0 0 36 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.928 108.6 48.7 -82.5 -49.7 -91.1 -67.3 10.2 9 10 B V H X S+ 0 0 21 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.845 115.8 47.6 -58.0 -34.6 -88.4 -69.0 12.2 10 11 B A H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.4 0.980 108.4 51.5 -70.0 -58.4 -85.9 -68.0 9.5 11 12 B K H X S+ 0 0 48 -4,-1.7 4,-2.5 1,-0.3 5,-0.3 0.924 112.0 48.7 -41.4 -57.0 -87.1 -64.4 9.2 12 13 B E H X S+ 0 0 84 -4,-2.6 4,-2.7 1,-0.2 -1,-0.3 0.896 115.1 46.0 -50.8 -46.0 -86.7 -64.1 12.9 13 14 B L H X>S+ 0 0 8 -4,-1.6 4,-3.5 -5,-0.2 5,-0.9 0.931 110.6 48.7 -66.1 -51.6 -83.2 -65.6 12.7 14 15 B F H X5S+ 0 0 2 -4,-3.2 4,-0.7 3,-0.2 -1,-0.2 0.887 116.8 45.4 -56.8 -40.1 -81.9 -63.6 9.8 15 16 B I H <5S+ 0 0 48 -4,-2.5 -2,-0.2 -5,-0.4 -1,-0.2 0.961 118.6 41.0 -68.9 -51.0 -83.0 -60.5 11.5 16 17 B K H <5S+ 0 0 130 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.852 134.5 14.1 -68.1 -37.2 -81.7 -61.4 14.9 17 18 B N H <5S- 0 0 50 -4,-3.5 4,-0.2 1,-0.2 -3,-0.2 0.772 102.4-111.6-111.3 -34.2 -78.3 -62.9 13.8 18 19 B G X< - 0 0 6 -5,-0.9 4,-1.4 -4,-0.7 -1,-0.2 -0.483 45.1 -61.3 119.5 168.5 -77.5 -62.0 10.2 19 20 B Y T 4 S+ 0 0 1 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.936 132.7 21.5 -55.9 -52.6 -77.3 -64.1 7.0 20 21 B N T 4 S+ 0 0 74 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.919 109.4 73.1 -81.5 -45.8 -74.5 -66.5 8.0 21 22 B A T 4 S+ 0 0 54 -4,-0.2 2,-0.4 -7,-0.1 -1,-0.2 0.826 96.5 62.3 -35.4 -40.2 -74.8 -66.2 11.7 22 23 B T S < S- 0 0 0 -4,-1.4 2,-0.2 -3,-0.1 -12,-0.0 -0.749 72.7-175.6 -95.3 137.4 -78.0 -68.2 11.2 23 24 B T > - 0 0 65 -2,-0.4 4,-2.8 1,-0.1 5,-0.1 -0.772 40.8-106.2-125.2 170.5 -77.7 -71.7 9.8 24 25 B T H > S+ 0 0 71 -2,-0.2 4,-3.1 2,-0.2 5,-0.3 0.844 119.3 61.2 -65.6 -33.5 -80.1 -74.5 8.8 25 26 B G H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.972 110.6 41.0 -55.0 -51.4 -79.1 -76.5 11.9 26 27 B E H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 5,-0.5 0.974 114.4 51.0 -57.6 -61.0 -80.5 -73.5 13.8 27 28 B I H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.921 112.4 47.4 -41.5 -60.9 -83.5 -73.0 11.6 28 29 B V H X>S+ 0 0 30 -4,-3.1 4,-2.9 3,-0.2 5,-0.7 0.877 109.1 52.2 -51.9 -49.4 -84.5 -76.7 11.8 29 30 B K H <5S+ 0 0 170 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.977 120.4 31.3 -54.8 -63.2 -84.2 -77.0 15.6 30 31 B L H <5S+ 0 0 101 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.850 123.4 48.8 -65.0 -35.1 -86.4 -74.1 16.5 31 32 B S H <5S- 0 0 16 -4,-3.1 -1,-0.2 -5,-0.5 -2,-0.2 0.818 105.0-142.1 -72.1 -29.8 -88.6 -74.6 13.4 32 33 B E T <5 + 0 0 160 -4,-2.9 2,-0.2 -5,-0.3 -3,-0.2 0.990 51.8 115.7 63.3 83.8 -88.7 -78.3 14.4 33 34 B S S > - 0 0 82 -2,-0.2 3,-1.3 1,-0.1 4,-0.7 -0.177 41.0-119.2 -49.9 140.1 -86.2 -82.7 9.5 35 36 B K H >> S+ 0 0 159 1,-0.3 3,-1.7 2,-0.2 4,-1.0 0.947 110.5 63.9 -48.2 -59.3 -83.6 -80.8 7.4 36 37 B G H 3> S+ 0 0 44 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.767 91.8 67.6 -35.3 -38.0 -84.7 -82.6 4.1 37 38 B N H X> S+ 0 0 72 -3,-1.3 3,-1.7 1,-0.3 4,-0.6 0.957 97.4 51.5 -48.0 -57.8 -88.0 -80.8 4.6 38 39 B L H S- 0 0 73 1,-0.1 4,-0.8 4,-0.0 0, 0.0 0.018 80.6 -99.6 -88.7-163.7 -80.8 -73.8 -1.4 45 46 B K H > S+ 0 0 37 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.757 122.7 56.3 -90.4 -30.1 -80.3 -71.3 1.5 46 47 B E H > S+ 0 0 43 1,-0.2 4,-4.3 2,-0.2 5,-0.3 0.892 103.7 57.2 -64.6 -39.2 -80.4 -68.3 -0.8 47 48 B N H > S+ 0 0 29 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 108.6 44.1 -57.8 -46.0 -83.7 -69.6 -2.0 48 49 B L H X S+ 0 0 6 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.963 119.4 41.8 -64.7 -51.1 -85.1 -69.4 1.6 49 50 B F H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.915 115.7 48.9 -62.4 -44.5 -83.6 -66.0 2.3 50 51 B L H X S+ 0 0 18 -4,-4.3 4,-1.3 -5,-0.2 -1,-0.2 0.845 109.3 57.6 -63.3 -29.9 -84.6 -64.7 -1.2 51 52 B E H >X S+ 0 0 44 -4,-1.6 4,-2.0 -5,-0.3 3,-0.8 0.971 105.0 46.9 -63.0 -57.0 -88.0 -66.1 -0.4 52 53 B I H 3X S+ 0 0 5 -4,-2.4 4,-3.1 1,-0.3 5,-0.2 0.869 106.9 58.9 -53.8 -41.1 -88.4 -64.1 2.8 53 54 B L H 3X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.842 106.8 48.4 -58.6 -36.6 -87.3 -60.9 1.0 54 55 B N H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 3,-1.0 0.874 108.3 49.8 -61.3 -41.2 -98.3 -49.0 2.3 65 66 B K H 3< S+ 0 0 113 -4,-1.5 4,-0.3 1,-0.3 -1,-0.2 0.889 110.4 51.0 -67.5 -36.1 -101.3 -49.3 -0.1 66 67 B K T 3< S+ 0 0 140 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.472 120.3 36.4 -77.6 -1.8 -103.6 -49.7 2.9 67 68 B E T X4 S+ 0 0 65 -3,-1.0 3,-1.4 -4,-0.3 -2,-0.2 0.558 95.5 78.3-122.7 -16.6 -102.1 -46.6 4.5 68 69 B Q G >< S+ 0 0 47 -4,-2.2 3,-1.8 1,-0.3 -2,-0.1 0.584 74.0 83.0 -71.5 -9.0 -101.4 -44.3 1.6 69 70 B I G 3 S+ 0 0 136 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.826 79.9 66.7 -64.1 -26.1 -105.1 -43.4 1.5 70 71 B K G < S+ 0 0 159 -3,-1.4 2,-0.5 1,-0.1 -1,-0.3 0.401 88.9 75.7 -77.2 8.5 -104.3 -40.9 4.2 71 72 B A < - 0 0 3 -3,-1.8 -1,-0.1 1,-0.2 6,-0.1 -0.896 60.2-172.1-125.2 101.8 -102.2 -38.9 1.7 72 73 B K + 0 0 139 -2,-0.5 2,-0.2 4,-0.1 -1,-0.2 0.900 70.0 41.7 -57.7 -52.3 -104.3 -36.8 -0.7 73 74 B T S > S- 0 0 48 1,-0.1 4,-2.0 65,-0.0 5,-0.1 -0.674 82.1-121.7 -99.9 157.2 -101.6 -35.6 -3.0 74 75 B N H > S+ 0 0 12 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.876 113.2 63.4 -63.0 -35.9 -98.6 -37.6 -4.4 75 76 B R H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.949 106.4 44.4 -52.5 -47.9 -96.3 -35.0 -2.8 76 77 B E H > S+ 0 0 64 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.902 108.8 57.1 -62.9 -40.1 -97.7 -36.2 0.6 77 78 B K H X S+ 0 0 31 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.873 105.8 51.1 -59.8 -36.7 -97.4 -39.8 -0.5 78 79 B F H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.998 113.3 44.1 -61.2 -62.8 -93.7 -39.3 -1.1 79 80 B Y H X S+ 0 0 47 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.875 117.2 47.1 -44.1 -49.0 -93.3 -37.7 2.4 80 81 B L H X S+ 0 0 38 -4,-3.3 4,-3.4 2,-0.2 5,-0.3 0.937 108.0 51.6 -63.8 -52.9 -95.4 -40.4 4.0 81 82 B Y H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.911 112.3 48.6 -51.8 -45.9 -93.8 -43.5 2.4 82 83 B N H X S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.3 -1,-0.3 0.875 112.8 48.2 -65.7 -35.4 -90.4 -42.3 3.4 83 84 B E H >X S+ 0 0 54 -4,-1.6 3,-1.5 -5,-0.3 4,-0.6 0.962 111.8 47.5 -68.9 -52.0 -91.7 -41.7 7.0 84 85 B L H >X S+ 0 0 31 -4,-3.4 4,-2.3 1,-0.3 3,-1.8 0.860 97.7 73.2 -56.7 -36.6 -93.4 -45.1 7.3 85 86 B S H 3< S+ 0 0 2 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.841 94.5 54.0 -45.0 -38.1 -90.2 -46.7 6.0 86 87 B L H << S+ 0 0 19 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.768 117.6 32.5 -70.9 -27.1 -88.7 -45.9 9.3 87 88 B T H << S+ 0 0 86 -3,-1.8 -2,-0.2 -4,-0.6 -1,-0.2 0.705 85.0 107.3-108.9 -20.6 -91.4 -47.6 11.4 88 89 B T < - 0 0 18 -4,-2.3 -28,-0.0 1,-0.1 3,-0.0 0.136 60.4-140.5 -46.8 174.2 -92.8 -50.7 9.5 89 90 B E S S+ 0 0 97 3,-0.1 2,-0.3 4,-0.0 -1,-0.1 0.327 74.0 99.5-116.7 -1.8 -91.8 -54.2 10.7 90 91 B Y S S- 0 0 40 2,-0.1 2,-3.4 1,-0.1 -2,-0.1 -0.690 93.9 -34.1 -99.5 143.1 -91.5 -55.2 7.1 91 92 B Y S > S+ 0 0 9 -2,-0.3 3,-1.5 1,-0.2 -34,-0.1 -0.206 117.8 74.5 55.8 -57.9 -88.6 -55.7 4.7 92 93 B Y G > S+ 0 0 15 -2,-3.4 3,-1.7 1,-0.3 4,-0.3 0.862 83.1 68.7 -53.8 -39.8 -86.4 -52.8 6.1 93 94 B P G 3 S+ 0 0 45 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.800 103.8 42.3 -53.4 -30.1 -85.5 -54.7 9.2 94 95 B L G <> S+ 0 0 2 -3,-1.5 4,-0.7 1,-0.2 -2,-0.1 -0.142 76.4 109.3-113.0 44.7 -83.4 -57.3 7.3 95 96 B Q H <> S+ 0 0 4 -3,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.670 79.3 57.3 -82.6 -24.2 -81.7 -54.8 4.9 96 97 B N H > S+ 0 0 13 -3,-0.4 4,-1.6 -4,-0.3 -1,-0.2 0.829 102.6 50.8 -77.0 -34.5 -78.5 -55.5 6.9 97 98 B A H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.776 106.1 57.7 -73.3 -26.2 -78.7 -59.3 6.2 98 99 B I H X S+ 0 0 13 -4,-0.7 4,-2.8 2,-0.2 5,-0.2 0.938 101.7 54.3 -68.5 -41.8 -79.1 -58.4 2.6 99 100 B I H X S+ 0 0 20 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.923 114.2 41.6 -55.8 -45.3 -75.8 -56.5 2.8 100 101 B E H X S+ 0 0 12 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 1.000 112.7 53.3 -59.9 -69.7 -74.1 -59.7 4.1 101 102 B F H X S+ 0 0 6 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.773 109.7 48.2 -34.8 -46.5 -75.9 -62.0 1.7 102 103 B Y H >X S+ 0 0 33 -4,-2.8 3,-1.6 2,-0.2 4,-1.0 0.991 112.9 45.6 -65.3 -56.8 -74.8 -60.0 -1.3 103 104 B T H 3< S+ 0 0 37 -4,-1.8 3,-0.3 1,-0.3 -2,-0.2 0.844 117.0 48.0 -53.8 -32.5 -71.2 -59.8 -0.4 104 105 B E H 3< S+ 0 0 64 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.560 125.6 24.8 -89.9 -7.8 -71.2 -63.4 0.5 105 106 B Y H X< S+ 0 0 63 -3,-1.6 3,-0.9 -4,-0.9 -2,-0.2 0.094 85.0 119.8-136.6 20.5 -72.9 -64.8 -2.6 106 107 B Y T 3< + 0 0 107 -4,-1.0 -3,-0.1 -3,-0.3 -2,-0.1 0.383 62.2 66.1 -73.5 4.8 -72.0 -62.0 -5.0 107 108 B K T 3 S+ 0 0 138 -5,-0.1 2,-0.5 -4,-0.1 -1,-0.2 0.157 73.8 97.4-112.6 20.3 -70.0 -64.2 -7.5 108 109 B T S X S- 0 0 50 -3,-0.9 3,-3.9 1,-0.1 4,-0.2 -0.930 73.0-135.4-108.0 126.3 -72.8 -66.4 -8.9 109 110 B N T 3 S+ 0 0 149 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.370 106.4 72.3 -65.0 13.7 -74.3 -65.2 -12.2 110 111 B S T > S+ 0 0 77 1,-0.1 3,-1.0 2,-0.1 4,-0.5 0.432 76.6 93.0 -97.9 -6.7 -77.6 -66.0 -10.6 111 112 B I T <> S+ 0 0 13 -3,-3.9 4,-0.5 1,-0.2 -2,-0.2 0.898 83.8 40.3 -50.2 -57.3 -76.8 -62.8 -8.6 112 113 B N T 34 S+ 0 0 70 -4,-0.2 4,-0.4 3,-0.2 -1,-0.2 0.421 102.8 78.0 -80.0 0.6 -78.6 -60.3 -10.7 113 114 B E T X> S+ 0 0 129 -3,-1.0 3,-2.6 2,-0.2 4,-2.0 0.902 111.5 9.1 -74.1 -96.1 -81.6 -62.4 -11.3 114 115 B K H 3> S+ 0 0 65 -4,-0.5 4,-1.6 1,-0.3 5,-0.1 0.762 127.8 67.1 -55.9 -21.3 -84.0 -62.5 -8.3 115 116 B X H 3X S+ 0 0 21 -4,-0.5 4,-0.7 -5,-0.5 -1,-0.3 0.673 108.1 34.2 -73.5 -19.9 -81.7 -59.7 -7.0 116 117 B N H <> S+ 0 0 64 -3,-2.6 4,-1.9 -4,-0.4 -1,-0.2 0.557 107.1 72.3-103.6 -19.7 -82.8 -57.4 -9.8 117 118 B K H X S+ 0 0 65 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.902 104.1 40.6 -58.4 -41.7 -86.2 -59.0 -9.5 118 119 B L H >X S+ 0 0 3 -4,-1.6 4,-2.7 2,-0.2 3,-0.7 0.921 102.6 67.0 -73.8 -46.1 -86.5 -57.1 -6.2 119 120 B E H 3X S+ 0 0 9 -4,-0.7 4,-1.7 1,-0.3 3,-0.3 0.903 106.1 45.3 -38.9 -51.6 -84.9 -53.9 -7.4 120 121 B N H 3< S+ 0 0 86 -4,-1.9 -1,-0.3 1,-0.2 4,-0.2 0.842 115.3 44.7 -64.2 -35.9 -88.0 -53.5 -9.6 121 122 B K H << S+ 0 0 56 -4,-0.9 4,-0.3 -3,-0.7 -1,-0.2 0.691 114.2 51.8 -81.5 -18.5 -90.5 -54.4 -6.8 122 123 B Y H < S+ 0 0 9 -4,-2.7 4,-0.2 -3,-0.3 -2,-0.2 0.741 112.3 41.9 -88.8 -29.1 -88.7 -52.2 -4.4 123 124 B I S X S+ 0 0 4 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.369 91.0 95.6 -99.5 2.0 -88.6 -49.0 -6.5 124 125 B D H > S+ 0 0 67 -4,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 75.3 55.1 -58.8 -53.5 -92.1 -49.5 -7.6 125 126 B A H > S+ 0 0 3 -4,-0.3 4,-2.6 1,-0.3 -1,-0.2 0.861 111.0 47.6 -49.8 -40.6 -93.9 -47.3 -5.1 126 127 B Y H > S+ 0 0 1 2,-0.2 4,-3.0 -4,-0.2 5,-0.4 0.896 107.2 55.7 -68.5 -41.7 -91.8 -44.4 -6.1 127 128 B H H X S+ 0 0 55 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4,-1.4 2,-0.2 -1,-0.3 0.719 106.4 54.0 -60.4 -19.5 -38.1 -30.9 29.6 234 48 D N H <> S+ 0 0 28 -3,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.927 103.4 53.7 -77.4 -49.4 -36.3 -27.6 28.8 235 49 D L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.3 -2,-0.2 0.914 109.4 51.2 -48.0 -45.4 -34.7 -27.6 32.3 236 50 D F H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.3 0.893 105.1 53.8 -62.8 -42.3 -33.5 -31.1 31.4 237 51 D L H X S+ 0 0 16 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.895 110.0 48.5 -62.3 -36.6 -32.0 -30.1 28.1 238 52 D E H >X S+ 0 0 51 -4,-2.3 4,-2.3 2,-0.2 3,-0.6 0.978 112.0 47.5 -64.3 -55.0 -30.0 -27.3 29.9 239 53 D I H 3X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.3 5,-0.3 0.910 111.2 52.3 -50.4 -44.9 -28.7 -29.7 32.6 240 54 D L H 3X S+ 0 0 2 -4,-2.8 4,-1.8 1,-0.2 -1,-0.3 0.843 109.5 51.2 -60.2 -34.0 -27.9 -32.1 29.9 241 55 D N H < S+ 0 0 68 -4,-1.4 3,-1.0 1,-0.1 -2,-0.2 0.678 97.2 76.3 -99.8 -19.9 -7.0 -34.6 31.6 255 69 D Q H >< S+ 0 0 41 -4,-2.7 3,-1.8 1,-0.2 -2,-0.1 0.746 76.1 78.3 -65.1 -24.0 -6.3 -36.0 28.1 256 70 D I T 3< S+ 0 0 123 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.818 78.0 70.3 -55.5 -34.4 -2.8 -34.6 27.9 257 71 D K T < S+ 0 0 172 -3,-1.0 2,-0.6 1,-0.1 -1,-0.3 0.407 86.6 82.4 -65.4 6.3 -1.4 -37.4 30.1 258 72 D A < - 0 0 4 -3,-1.8 -1,-0.1 1,-0.2 6,-0.1 -0.903 62.4-172.4-118.3 100.9 -2.1 -39.6 27.0 259 73 D K + 0 0 147 -2,-0.6 -1,-0.2 4,-0.1 -2,-0.0 0.959 67.5 27.7 -53.7 -68.1 0.8 -39.3 24.5 260 74 D T S S- 0 0 33 1,-0.1 4,-0.1 65,-0.0 60,-0.1 0.053 84.4-111.9 -83.4-164.9 -0.6 -41.2 21.5 261 75 D N S > S+ 0 0 12 2,-0.2 4,-2.3 3,-0.1 3,-0.3 0.672 114.1 66.4-103.4 -25.7 -4.2 -41.7 20.5 262 76 D R H > S+ 0 0 105 1,-0.3 4,-1.3 2,-0.2 107,-0.1 0.820 107.8 45.8 -60.9 -27.0 -4.2 -45.4 21.2 263 77 D E H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.1 -1,-0.3 0.661 104.5 57.8 -90.1 -20.0 -3.7 -44.1 24.8 264 78 D K H > S+ 0 0 32 -3,-0.3 4,-3.6 2,-0.2 5,-0.3 0.901 105.9 52.0 -75.1 -39.4 -6.4 -41.4 24.6 265 79 D F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.977 111.7 45.2 -57.4 -59.1 -8.9 -44.2 23.7 266 80 D Y H X S+ 0 0 38 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.900 118.7 44.4 -49.1 -49.4 -7.9 -46.3 26.8 267 81 D L H X S+ 0 0 40 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.924 111.2 49.3 -65.2 -51.5 -7.9 -43.2 29.0 268 82 D Y H X S+ 0 0 5 -4,-3.6 4,-1.8 1,-0.2 -2,-0.2 0.957 113.2 48.9 -54.3 -51.8 -11.2 -41.6 27.9 269 83 D N H X S+ 0 0 0 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.914 114.1 46.2 -53.8 -46.7 -13.0 -44.9 28.3 270 84 D E H >X S+ 0 0 61 -4,-1.9 3,-1.1 -5,-0.3 4,-0.6 0.907 109.3 52.2 -65.5 -44.5 -11.5 -45.4 31.7 271 85 D L H >X S+ 0 0 23 -4,-3.2 4,-2.7 1,-0.3 3,-0.9 0.800 97.5 70.0 -63.4 -26.6 -12.3 -41.9 32.9 272 86 D S H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.847 95.0 54.6 -58.5 -33.8 -15.9 -42.5 31.8 273 87 D L H << S+ 0 0 12 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.751 119.6 30.2 -71.9 -25.3 -16.3 -44.9 34.7 274 88 D T H << S+ 0 0 85 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.663 86.6 108.8-112.2 -18.2 -15.2 -42.4 37.3 275 89 D T < - 0 0 13 -4,-2.7 -28,-0.1 1,-0.1 -3,-0.0 -0.168 61.3-140.2 -57.1 154.3 -16.1 -38.8 36.1 276 90 D E S S+ 0 0 124 3,-0.1 2,-0.2 4,-0.0 -1,-0.1 0.538 74.7 89.0 -92.9 -5.9 -19.0 -37.2 38.1 277 91 D Y S S- 0 0 36 -31,-0.1 2,-2.3 2,-0.1 -2,-0.1 -0.581 92.9 -23.4-100.7 156.2 -20.4 -35.8 34.9 278 92 D Y S > S+ 0 0 2 1,-0.2 3,-2.4 -2,-0.2 4,-0.2 -0.245 112.0 73.7 57.8 -71.2 -22.8 -36.8 32.1 279 93 D Y G > S+ 0 0 9 -2,-2.3 3,-1.4 1,-0.3 4,-0.3 0.741 87.8 63.3 -46.5 -32.4 -22.8 -40.6 32.4 280 94 D P G 3 S+ 0 0 47 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.821 99.4 56.0 -65.7 -26.0 -24.8 -40.6 35.6 281 95 D L G <> S+ 0 0 1 -3,-2.4 4,-3.2 1,-0.2 5,-0.2 0.401 76.7 103.8 -84.2 2.2 -27.7 -39.0 33.7 282 96 D Q H <> S+ 0 0 4 -3,-1.4 4,-2.4 -4,-0.2 -1,-0.2 0.885 77.3 50.3 -54.4 -46.0 -27.8 -41.8 31.1 283 97 D N H > S+ 0 0 18 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.930 115.2 44.4 -59.8 -43.7 -30.8 -43.6 32.5 284 98 D A H > S+ 0 0 1 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.915 109.9 55.5 -65.4 -43.3 -32.7 -40.3 32.5 285 99 D I H X S+ 0 0 12 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.899 106.5 52.5 -56.9 -40.4 -31.4 -39.4 29.1 286 100 D I H X S+ 0 0 26 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.978 111.5 43.1 -59.5 -58.2 -32.8 -42.7 27.8 287 101 D E H X S+ 0 0 1 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.887 114.2 51.7 -54.0 -45.1 -36.4 -42.2 29.2 288 102 D F H >X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 3,-0.8 0.919 109.3 51.1 -58.5 -45.9 -36.4 -38.5 28.0 289 103 D Y H >X S+ 0 0 36 -4,-2.3 4,-1.5 -5,-0.3 3,-1.0 0.906 104.1 54.4 -62.9 -43.0 -35.4 -39.6 24.6 290 104 D T H 3< S+ 0 0 70 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.725 112.4 48.3 -66.6 -13.9 -38.1 -42.2 24.1 291 105 D E H << S+ 0 0 73 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.572 122.0 27.9-100.2 -10.9 -40.5 -39.4 25.0 292 106 D Y H << S+ 0 0 55 -3,-1.0 7,-0.5 -4,-0.8 -2,-0.2 0.326 84.7 94.9-133.4 9.5 -39.3 -36.7 22.7 293 107 D Y S < S+ 0 0 94 -4,-1.5 -3,-0.1 1,-0.2 3,-0.1 0.603 87.8 64.3 -73.8 -7.4 -37.7 -38.3 19.7 294 108 D K S S+ 0 0 136 1,-0.2 2,-1.4 -5,-0.2 -1,-0.2 0.938 87.9 65.1 -77.5 -54.5 -41.2 -37.7 18.4 295 109 D T S >> S- 0 0 73 -4,-0.2 4,-1.3 1,-0.2 3,-1.2 -0.591 76.6-149.7 -79.9 90.5 -41.3 -33.9 18.4 296 110 D N H 3> S+ 0 0 124 -2,-1.4 4,-0.8 1,-0.2 -1,-0.2 0.641 88.2 69.4 -27.6 -37.3 -38.7 -32.9 15.8 297 111 D S H >> S+ 0 0 88 1,-0.2 3,-1.1 2,-0.2 4,-1.1 0.973 109.3 30.2 -51.8 -64.2 -38.0 -29.7 17.7 298 112 D I H <> S+ 0 0 13 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.867 109.8 68.2 -65.2 -38.8 -36.3 -31.3 20.7 299 113 D N H 3X S+ 0 0 43 -4,-1.3 4,-1.7 -7,-0.5 -1,-0.2 0.694 99.8 54.5 -55.5 -18.1 -35.0 -34.2 18.6 300 114 D E H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 3,-0.8 0.984 107.0 39.8 -56.4 -68.1 -30.8 -33.9 21.1 303 117 D N H 3X S+ 0 0 55 -4,-1.7 4,-1.5 1,-0.3 -1,-0.2 0.636 107.0 67.5 -61.7 -12.4 -28.7 -35.1 18.2 304 118 D K H 3X S+ 0 0 68 -4,-1.5 4,-1.2 2,-0.2 -1,-0.3 0.955 106.4 41.0 -68.7 -47.9 -26.8 -31.9 18.5 305 119 D L H X S+ 0 0 21 -4,-2.9 4,-1.8 -5,-0.2 3,-1.0 0.770 97.7 81.3 -69.1 -24.2 -19.5 -38.9 19.8 311 125 D D H 3X S+ 0 0 66 -4,-1.5 4,-2.9 -3,-0.3 5,-0.2 0.878 78.8 61.4 -48.8 -52.9 -17.0 -36.1 18.9 312 126 D A H 3X S+ 0 0 11 -4,-0.8 4,-2.3 -3,-0.4 -1,-0.2 0.853 109.6 44.4 -45.4 -40.6 -14.2 -37.1 21.3 313 127 D Y H <> S+ 0 0 0 -3,-1.0 4,-3.4 -4,-0.4 5,-0.3 0.916 108.8 55.9 -72.5 -41.8 -14.0 -40.4 19.6 314 128 D H H X S+ 0 0 44 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.908 111.6 45.4 -55.3 -42.8 -14.2 -38.8 16.1 315 129 D V H X S+ 0 0 62 -4,-2.9 4,-2.9 2,-0.2 5,-0.5 0.990 113.4 47.3 -63.6 -60.9 -11.2 -36.7 17.1 316 130 D I H X S+ 0 0 3 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.871 117.3 44.7 -48.7 -42.9 -9.2 -39.6 18.6 317 131 D F H X S+ 0 0 0 -4,-3.4 4,-1.1 2,-0.2 -1,-0.2 0.898 114.5 45.9 -73.8 -39.6 -9.9 -41.8 15.6 318 132 D K H >X S+ 0 0 109 -4,-2.7 4,-2.4 -5,-0.3 3,-1.1 0.972 116.2 45.3 -66.2 -52.4 -9.2 -39.1 12.9 319 133 D E H 3< S+ 0 0 68 -4,-2.9 6,-0.2 1,-0.3 -1,-0.2 0.790 106.1 63.2 -59.7 -27.9 -5.9 -38.0 14.6 320 134 D G H 3<>S+ 0 0 0 -4,-1.0 5,-2.1 -5,-0.5 6,-0.9 0.859 107.2 42.0 -65.7 -34.0 -5.2 -41.7 14.9 321 135 D N H X<5S+ 0 0 51 -3,-1.1 3,-2.4 -4,-1.1 -2,-0.2 0.955 110.9 54.2 -72.6 -53.6 -5.1 -41.9 11.1 322 136 D L T 3<5S+ 0 0 124 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.397 113.2 47.9 -61.2 4.1 -3.2 -38.7 10.7 323 137 D N T 3 5S- 0 0 99 -3,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.381 111.5-115.5-126.4 -3.3 -0.7 -40.3 13.1 324 138 D G T < 5S+ 0 0 69 -3,-2.4 -3,-0.2 2,-0.3 -2,-0.1 0.572 78.8 125.3 77.1 10.0 -0.3 -43.7 11.5 325 139 D E S + 0 0 80 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 -0.801 64.3 172.9 -94.2 103.7 -15.5 -44.9 8.2 331 145 D V H > S+ 0 0 14 -2,-1.0 4,-2.3 -3,-0.2 -1,-0.2 0.778 75.6 58.5 -78.7 -29.2 -14.5 -42.9 11.3 332 146 D N H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.879 106.8 48.1 -67.5 -38.1 -18.1 -41.8 12.1 333 147 D A H > S+ 0 0 9 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.923 114.2 44.4 -68.1 -46.8 -19.3 -45.4 12.3 334 148 D V H X S+ 0 0 1 -4,-1.3 4,-2.8 1,-0.2 5,-0.2 0.905 111.6 54.8 -65.2 -40.7 -16.4 -46.5 14.6 335 149 D S H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.888 113.2 41.9 -60.0 -39.1 -16.9 -43.4 16.7 336 150 D K H X S+ 0 0 63 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.936 113.6 51.1 -73.4 -46.0 -20.6 -44.3 17.2 337 151 D I H X S+ 0 0 2 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.879 115.7 44.5 -56.9 -39.8 -19.9 -48.0 17.8 338 152 D A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.4 0.979 111.2 48.7 -69.3 -61.3 -17.3 -47.0 20.4 339 153 D A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.870 117.9 44.1 -47.0 -41.3 -19.1 -44.3 22.2 340 154 D N H X S+ 0 0 7 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.857 113.1 49.4 -74.3 -39.3 -22.1 -46.7 22.5 341 155 D A H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 3,-0.3 0.962 116.0 41.9 -63.2 -55.8 -20.2 -49.8 23.4 342 156 D V H >X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-0.7 0.955 111.5 56.3 -55.7 -53.9 -18.3 -48.0 26.2 343 157 D N H 3X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.4 -1,-0.2 0.807 106.0 52.2 -49.7 -36.1 -21.4 -46.2 27.3 344 158 D G H 3X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.3 -1,-0.3 0.887 109.3 48.6 -69.6 -39.0 -23.1 -49.6 27.7 345 159 D I H << S+ 0 0 8 -4,-1.7 -2,-0.2 -3,-0.7 -1,-0.2 0.904 112.3 49.4 -66.5 -40.8 -20.2 -50.8 29.9 346 160 D V H < S+ 0 0 4 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.907 120.3 34.4 -65.7 -42.6 -20.3 -47.7 32.0 347 161 D T H < S+ 0 0 17 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.740 111.8 56.3 -88.7 -25.2 -24.1 -47.8 32.6 348 162 D F S < S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.140 106.0 51.1 -96.6 24.4 -24.8 -51.6 32.8 349 163 D T + 0 0 5 -3,-0.4 3,-0.4 -4,-0.2 -1,-0.2 -0.116 57.4 129.5-149.0 44.7 -22.4 -52.4 35.6 350 164 D H + 0 0 132 -3,-0.5 4,-0.1 1,-0.2 -2,-0.1 0.320 66.6 69.9 -84.3 10.2 -23.0 -49.9 38.5 351 165 D E S S+ 0 0 27 2,-0.1 -1,-0.2 -3,-0.0 3,-0.1 0.808 88.7 60.1 -93.5 -40.3 -23.2 -52.8 41.0 352 166 D Q S S- 0 0 64 -3,-0.4 2,-0.2 1,-0.2 -3,-0.0 -0.087 98.5 -48.1 -88.5-175.2 -19.7 -54.1 41.3 353 167 D N >> - 0 0 92 1,-0.2 4,-2.5 2,-0.1 3,-1.3 -0.339 41.6-141.4 -56.9 114.2 -16.2 -53.1 42.2 354 168 D I H 3> S+ 0 0 67 1,-0.3 4,-1.6 -2,-0.2 -1,-0.2 0.683 105.0 57.1 -53.5 -15.4 -15.3 -49.9 40.5 355 169 D N H 3> S+ 0 0 110 2,-0.2 4,-2.0 3,-0.1 -1,-0.3 0.819 104.0 46.4 -86.4 -34.9 -11.9 -51.5 40.1 356 170 D E H <> S+ 0 0 56 -3,-1.3 4,-3.0 2,-0.2 5,-0.3 0.830 111.4 56.6 -73.4 -30.4 -13.1 -54.6 38.3 357 171 D R H X S+ 0 0 11 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.970 108.4 44.6 -61.6 -53.2 -15.1 -52.1 36.2 358 172 D I H X S+ 0 0 26 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.890 113.5 52.5 -58.3 -40.0 -11.9 -50.2 35.3 359 173 D K H X S+ 0 0 138 -4,-2.0 4,-2.2 2,-0.2 3,-0.4 0.972 112.1 42.3 -61.1 -56.5 -10.2 -53.6 34.6 360 174 D L H X S+ 0 0 13 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.871 111.2 57.2 -58.2 -39.9 -12.9 -54.9 32.2 361 175 D X H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.3 0.863 109.0 46.5 -60.8 -34.7 -13.1 -51.4 30.6 362 176 D N H X S+ 0 0 48 -4,-1.7 4,-2.1 -3,-0.4 -2,-0.2 0.894 109.4 52.0 -75.2 -38.3 -9.4 -51.7 29.8 363 177 D K H X S+ 0 0 45 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.857 113.0 48.4 -65.1 -32.1 -9.7 -55.3 28.5 364 178 D F H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.975 108.1 51.6 -68.3 -56.1 -12.4 -53.9 26.2 365 179 D S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.840 111.6 49.6 -49.4 -37.7 -10.4 -50.9 25.1 366 180 D Q H X S+ 0 0 79 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.965 110.5 47.3 -68.4 -52.7 -7.6 -53.3 24.2 367 181 D I H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.928 114.5 48.7 -52.7 -50.8 -9.7 -55.8 22.2 368 182 D F H < S+ 0 0 0 -4,-2.9 3,-0.4 2,-0.2 4,-0.4 0.977 112.9 43.8 -55.4 -65.0 -11.4 -53.0 20.3 369 183 D L H >< S+ 0 0 15 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.887 113.0 54.5 -49.7 -42.6 -8.2 -51.1 19.3 370 184 D N H 3< S+ 0 0 94 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.928 104.0 55.5 -59.2 -43.0 -6.6 -54.3 18.4 371 185 D G T 3< S+ 0 0 2 -4,-2.6 -1,-0.3 -3,-0.4 -2,-0.2 0.454 92.6 88.9 -71.4 1.4 -9.4 -55.2 16.1 372 186 D L < 0 0 13 -3,-1.7 -2,-0.1 -4,-0.4 -3,-0.1 0.722 360.0 360.0 -70.6-122.8 -9.1 -52.0 14.1 373 187 D S 0 0 116 -4,-0.1 -45,-0.2 -48,-0.1 -1,-0.1 0.722 360.0 360.0 24.7 360.0 -6.9 -51.5 10.9 374 !* 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 A N > 0 0 136 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -44.4 -43.8 -48.8 16.2 376 3 A L H > + 0 0 56 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.900 360.0 50.2 -68.0 -37.9 -44.6 -52.3 17.5 377 4 A K H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.970 113.6 46.1 -59.6 -49.9 -48.2 -50.9 18.1 378 5 A D H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.851 109.3 54.8 -58.8 -38.0 -48.0 -49.6 14.5 379 6 A K H X S+ 0 0 79 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.960 108.4 49.0 -60.2 -51.3 -46.6 -53.0 13.3 380 7 A I H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.926 110.8 49.1 -54.1 -51.3 -49.6 -54.8 14.9 381 8 A L H X S+ 0 0 11 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.948 114.9 45.7 -55.3 -50.4 -52.1 -52.4 13.3 382 9 A G H X S+ 0 0 37 -4,-2.6 4,-1.9 2,-0.2 5,-0.2 0.941 115.4 44.5 -58.0 -52.0 -50.5 -52.9 9.9 383 10 A V H X S+ 0 0 14 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.906 115.0 50.1 -60.2 -42.4 -50.2 -56.7 10.2 384 11 A A H X S+ 0 0 0 -4,-3.2 4,-2.9 -5,-0.3 -1,-0.2 0.897 105.8 55.8 -65.1 -41.7 -53.7 -56.9 11.5 385 12 A K H X S+ 0 0 65 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.941 111.8 42.3 -57.2 -48.9 -55.2 -54.8 8.7 386 13 A E H X S+ 0 0 117 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.859 112.1 55.3 -67.2 -33.3 -53.8 -57.0 6.0 387 14 A L H X S+ 0 0 17 -4,-1.9 4,-2.3 -5,-0.2 5,-0.5 0.935 109.8 47.0 -64.2 -42.8 -54.8 -60.1 8.0 388 15 A F H X S+ 0 0 1 -4,-2.9 4,-2.1 3,-0.2 -2,-0.2 0.900 110.1 53.2 -64.7 -41.6 -58.4 -58.7 8.0 389 16 A I H < S+ 0 0 67 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.971 116.5 36.1 -58.4 -55.8 -58.3 -58.0 4.3 390 17 A K H < S+ 0 0 171 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.902 135.5 19.5 -66.3 -45.8 -57.2 -61.5 3.3 391 18 A N H < S- 0 0 57 -4,-2.3 4,-0.4 -5,-0.3 -3,-0.2 0.545 104.1-126.0-106.0 -9.0 -59.1 -63.6 5.8 392 19 A G X - 0 0 10 -4,-2.1 4,-1.7 -5,-0.5 -1,-0.2 -0.036 34.2 -66.3 87.1 168.2 -61.8 -61.2 7.0 393 20 A Y T 4 S+ 0 0 1 1,-0.2 -1,-0.1 2,-0.2 78,-0.1 0.931 126.8 40.9 -61.2 -54.2 -62.8 -60.1 10.5 394 21 A N T 4 S+ 0 0 81 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.773 117.1 48.6 -68.2 -29.1 -64.1 -63.3 12.1 395 22 A A T 4 S+ 0 0 57 -4,-0.4 -1,-0.2 -7,-0.1 -2,-0.2 0.884 87.6 91.3 -80.6 -40.9 -61.4 -65.6 10.7 396 23 A T < - 0 0 1 -4,-1.7 2,-0.3 -8,-0.1 -8,-0.0 -0.340 67.3-154.9 -55.1 130.6 -58.4 -63.5 11.6 397 24 A T > - 0 0 61 1,-0.1 4,-2.0 -2,-0.0 5,-0.1 -0.826 23.4-130.1-111.4 152.6 -57.2 -64.6 15.1 398 25 A T H > S+ 0 0 56 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.767 110.1 63.7 -70.7 -22.9 -55.2 -62.6 17.6 399 26 A G H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 106.5 42.8 -63.5 -44.9 -52.8 -65.5 17.8 400 27 A E H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.886 114.4 50.9 -65.7 -41.4 -52.0 -64.9 14.2 401 28 A I H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.904 110.4 50.7 -63.3 -40.3 -51.8 -61.2 14.8 402 29 A V H <>S+ 0 0 18 -4,-3.3 5,-2.7 2,-0.2 3,-0.3 0.954 115.6 39.2 -63.6 -51.7 -49.5 -61.8 17.7 403 30 A K H ><5S+ 0 0 159 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.923 113.6 51.3 -67.8 -46.0 -47.0 -64.0 15.8 404 31 A L H 3<5S+ 0 0 96 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.712 115.7 43.2 -66.0 -18.4 -46.9 -62.2 12.4 405 32 A S T 3<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.353 109.9-126.7-104.5 3.0 -46.2 -58.9 14.2 406 33 A E T < 5S+ 0 0 119 -3,-1.4 -3,-0.2 -4,-0.2 -4,-0.1 0.885 72.5 111.1 50.0 48.8 -43.7 -60.6 16.5 407 34 A S < - 0 0 7 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.1 0.039 60.7-106.3-117.9-133.9 -45.4 -59.2 19.6 408 35 A S > - 0 0 23 1,-0.1 4,-2.8 -2,-0.1 3,-0.4 -0.983 22.4-107.2-166.7 153.9 -47.5 -60.9 22.4 409 36 A K H > S+ 0 0 173 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.915 120.1 51.4 -48.6 -48.6 -50.9 -61.4 23.8 410 37 A G H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.876 109.5 47.8 -60.0 -40.3 -50.0 -59.1 26.7 411 38 A N H > S+ 0 0 1 -3,-0.4 4,-1.9 2,-0.2 5,-0.2 0.926 112.3 49.6 -67.3 -42.5 -48.9 -56.3 24.4 412 39 A L H X>S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 5,-0.7 0.891 111.8 49.5 -62.2 -39.0 -52.0 -56.6 22.3 413 40 A Y H X5S+ 0 0 26 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.925 108.3 52.8 -64.3 -47.4 -54.1 -56.5 25.4 414 41 A Y H <5S+ 0 0 34 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.844 117.9 36.4 -57.1 -39.2 -52.3 -53.4 26.7 415 42 A H H <5S+ 0 0 54 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.856 139.7 5.0 -85.2 -39.5 -52.9 -51.4 23.5 416 43 A F H <5S- 0 0 1 -4,-2.5 2,-2.7 -5,-0.2 -3,-0.2 0.574 71.4-149.9-125.1 -13.8 -56.3 -52.6 22.4 417 44 A K S < S- 0 0 55 -2,-2.7 4,-2.2 1,-0.1 5,-0.1 -0.933 76.6-113.2-142.3 166.6 -59.8 -56.8 22.4 419 46 A K H > S+ 0 0 36 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.927 118.0 53.8 -62.5 -46.5 -60.0 -57.8 18.8 420 47 A E H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 112.1 45.6 -52.1 -48.9 -63.1 -55.7 18.3 421 48 A N H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.843 108.3 54.1 -65.2 -37.6 -61.3 -52.8 19.7 422 49 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.932 110.5 49.9 -62.4 -43.2 -58.2 -53.3 17.7 423 50 A F H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.889 107.2 50.4 -63.3 -45.0 -60.4 -53.3 14.6 424 51 A L H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.884 108.6 56.8 -61.1 -35.7 -62.2 -50.1 15.5 425 52 A E H X S+ 0 0 61 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.912 107.0 45.9 -59.8 -46.4 -58.8 -48.6 16.0 426 53 A I H X S+ 0 0 4 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.940 108.4 57.8 -62.1 -46.7 -57.8 -49.6 12.4 427 54 A L H X S+ 0 0 16 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.880 106.8 49.0 -50.8 -41.6 -61.1 -48.1 11.3 428 55 A N H X S+ 0 0 53 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.936 109.9 49.4 -66.2 -44.9 -60.1 -44.8 12.8 429 56 A I H X S+ 0 0 56 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.906 111.2 51.4 -59.5 -40.8 -56.6 -44.9 11.2 430 57 A E H X S+ 0 0 21 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.892 106.0 54.3 -62.3 -41.8 -58.3 -45.6 7.8 431 58 A E H X S+ 0 0 27 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.887 107.3 50.7 -63.3 -37.1 -60.7 -42.7 8.3 432 59 A S H X S+ 0 0 61 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.934 108.5 51.1 -66.5 -42.2 -57.8 -40.3 8.8 433 60 A K H X S+ 0 0 101 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.921 108.6 53.6 -58.1 -42.6 -56.1 -41.6 5.6 434 61 A W H X S+ 0 0 52 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.941 110.5 45.8 -56.0 -50.3 -59.4 -41.0 3.9 435 62 A Q H X S+ 0 0 53 -4,-2.3 4,-3.8 2,-0.2 5,-0.3 0.956 111.7 50.3 -56.7 -55.5 -59.5 -37.4 5.1 436 63 A E H X S+ 0 0 106 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.932 113.7 47.8 -48.0 -48.6 -55.8 -36.8 4.2 437 64 A Q H X S+ 0 0 110 -4,-3.2 4,-1.8 -5,-0.2 3,-0.4 0.947 113.4 46.2 -58.3 -51.3 -56.8 -38.2 0.8 438 65 A W H X S+ 0 0 12 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.865 107.0 58.4 -60.7 -38.8 -59.9 -36.0 0.5 439 66 A K H < S+ 0 0 145 -4,-3.8 4,-0.4 1,-0.2 -1,-0.2 0.871 112.5 40.8 -58.3 -37.1 -57.9 -32.9 1.7 440 67 A K H < S+ 0 0 155 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.737 118.6 46.5 -82.5 -27.3 -55.5 -33.5 -1.3 441 68 A E H >< S+ 0 0 60 -4,-1.8 3,-1.9 -5,-0.2 -2,-0.2 0.840 98.4 64.6 -85.8 -37.6 -58.3 -34.4 -3.8 442 69 A Q G >< S+ 0 0 44 -4,-3.0 3,-2.4 1,-0.3 -1,-0.2 0.722 84.9 76.3 -62.4 -20.4 -60.9 -31.6 -3.1 443 70 A I G 3 S+ 0 0 131 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.819 84.1 66.5 -59.4 -27.5 -58.4 -29.0 -4.3 444 71 A K G < S+ 0 0 158 -3,-1.9 2,-0.6 -4,-0.2 -1,-0.3 0.635 93.1 70.8 -68.0 -12.5 -59.3 -30.3 -7.8 445 72 A A < - 0 0 6 -3,-2.4 6,-0.2 -4,-0.2 -1,-0.2 -0.871 62.6-172.4-112.4 104.1 -62.8 -28.8 -7.1 446 73 A K S S+ 0 0 188 -2,-0.6 -1,-0.2 4,-0.1 2,-0.1 0.957 70.3 42.4 -57.5 -59.7 -63.0 -25.0 -7.1 447 74 A T S > S- 0 0 41 1,-0.1 4,-1.6 65,-0.0 60,-0.1 -0.412 80.6-124.3 -87.1 165.5 -66.6 -24.5 -5.9 448 75 A N H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.819 113.7 62.2 -77.3 -31.1 -68.3 -26.4 -3.1 449 76 A R H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.958 108.5 46.7 -54.4 -44.0 -71.1 -27.3 -5.5 450 77 A E H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.890 107.9 53.1 -63.8 -44.5 -68.2 -29.1 -7.2 451 78 A K H X S+ 0 0 33 -4,-1.6 4,-3.1 1,-0.2 5,-0.3 0.908 106.9 53.9 -61.8 -39.1 -66.8 -30.7 -4.1 452 79 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.968 111.6 43.9 -58.8 -53.9 -70.2 -32.2 -3.3 453 80 A Y H X S+ 0 0 44 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.962 117.2 46.3 -52.9 -56.5 -70.4 -33.8 -6.7 454 81 A L H X S+ 0 0 36 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.836 111.6 50.5 -54.6 -43.7 -66.8 -35.0 -6.5 455 82 A Y H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.880 110.7 48.6 -66.1 -40.9 -67.1 -36.3 -2.9 456 83 A N H X S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.830 112.6 49.1 -69.5 -31.7 -70.2 -38.4 -3.7 457 84 A E H X S+ 0 0 62 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.870 109.5 50.9 -76.3 -34.6 -68.6 -39.8 -6.8 458 85 A L H X S+ 0 0 38 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.884 105.6 55.7 -69.3 -37.8 -65.4 -40.8 -4.9 459 86 A S H X S+ 0 0 13 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.865 112.8 44.1 -62.4 -35.2 -67.4 -42.5 -2.2 460 87 A L H X S+ 0 0 1 -4,-1.0 4,-0.5 2,-0.2 -2,-0.2 0.924 116.5 42.7 -76.6 -46.8 -69.0 -44.7 -4.9 461 88 A T H >< S+ 0 0 30 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.900 111.2 53.3 -70.8 -39.1 -66.0 -45.5 -7.0 462 89 A T H >X S+ 0 0 33 -4,-2.7 3,-2.3 1,-0.2 4,-0.6 0.914 99.1 61.4 -64.9 -39.8 -63.6 -46.2 -4.2 463 90 A E H 3< S+ 0 0 26 -4,-1.0 3,-0.3 -5,-0.3 -1,-0.2 0.747 88.8 74.0 -59.1 -20.8 -65.8 -48.8 -2.4 464 91 A Y T << S+ 0 0 89 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.847 118.3 15.0 -59.4 -31.2 -65.6 -50.8 -5.6 465 92 A Y T <4 S+ 0 0 170 -3,-2.3 -1,-0.2 -4,-0.4 -2,-0.2 0.206 84.8 133.1-130.8 18.0 -62.0 -51.7 -4.5 466 93 A Y < - 0 0 67 -4,-0.6 3,-0.4 -3,-0.3 4,-0.4 -0.627 46.3-148.9 -74.1 121.2 -61.7 -50.7 -0.9 467 94 A P S > S+ 0 0 55 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.922 91.2 44.2 -53.4 -59.6 -59.9 -53.8 0.7 468 95 A L T 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.659 84.5 99.2 -65.4 -19.1 -61.4 -53.7 4.3 469 96 A Q H 3> S+ 0 0 52 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.823 86.2 45.5 -37.0 -46.1 -64.9 -53.0 2.9 470 97 A N H <> S+ 0 0 83 -3,-0.9 4,-2.7 -4,-0.4 -1,-0.2 0.961 111.1 48.5 -67.0 -54.1 -65.7 -56.7 3.4 471 98 A A H > S+ 0 0 2 -4,-0.4 4,-3.3 1,-0.2 -2,-0.2 0.870 113.7 52.2 -53.8 -35.2 -64.2 -57.1 6.9 472 99 A I H X S+ 0 0 32 -4,-2.9 4,-4.3 2,-0.2 -1,-0.2 0.926 107.2 48.1 -66.0 -48.8 -66.2 -54.0 7.7 473 100 A I H X S+ 0 0 14 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.892 116.7 46.9 -58.5 -38.0 -69.5 -55.3 6.4 474 101 A E H X S+ 0 0 51 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.923 118.2 38.8 -69.0 -48.3 -68.7 -58.4 8.4 475 102 A F H X S+ 0 0 0 -4,-3.3 4,-2.4 -5,-0.2 -2,-0.2 0.916 109.1 62.6 -69.0 -44.7 -67.7 -56.5 11.6 476 103 A Y H < S+ 0 0 47 -4,-4.3 -1,-0.2 1,-0.2 -2,-0.2 0.866 110.9 37.6 -47.7 -47.0 -70.4 -53.9 11.2 477 104 A T H >< S+ 0 0 13 -4,-1.4 3,-1.3 -5,-0.2 4,-0.3 0.867 111.0 59.5 -77.0 -38.8 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47.2 -71.3 -47.1 -66.5 -42.8 13.4 493 120 A E H 3X S+ 0 0 49 -4,-1.8 4,-3.3 1,-0.2 5,-0.2 0.851 102.8 65.7 -63.7 -34.1 -69.3 -41.9 10.9 494 121 A N H 3X S+ 0 0 69 -4,-1.8 4,-1.5 1,-0.3 -1,-0.2 0.896 98.1 53.5 -54.6 -40.1 -69.4 -38.5 12.5 495 122 A K H X S+ 0 0 29 -4,-1.1 3,-1.3 1,-0.2 4,-0.5 0.963 109.8 53.8 -62.3 -53.9 -67.2 -39.0 7.6 497 124 A I H >X S+ 0 0 19 -4,-3.3 4,-1.5 1,-0.3 3,-0.8 0.733 96.2 67.8 -53.7 -28.0 -70.2 -36.7 8.0 498 125 A D H 3X S+ 0 0 88 -4,-1.5 4,-3.0 1,-0.2 5,-0.3 0.874 86.0 67.3 -64.1 -37.0 -68.0 -33.7 8.8 499 126 A A H X S+ 0 0 114 -4,-3.0 4,-1.8 -5,-0.2 3,-0.8 0.969 116.3 43.7 -61.0 -51.8 -70.7 -24.3 5.8 506 133 A E H 3< S+ 0 0 79 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.841 108.1 57.5 -62.0 -37.8 -68.2 -23.0 3.2 507 134 A G H 3<>S+ 0 0 0 -4,-1.7 5,-2.8 -5,-0.3 6,-1.1 0.749 106.1 53.6 -65.4 -22.6 -70.8 -23.1 0.4 508 135 A N H X<5S+ 0 0 44 -4,-1.0 3,-3.0 -3,-0.8 -2,-0.2 0.962 102.3 53.6 -72.7 -56.1 -72.8 -20.8 2.7 509 136 A L T 3<5S+ 0 0 118 -4,-1.8 -1,-0.2 1,-0.3 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64.1-162.6-107.4 113.2 -44.7 -47.0 37.0 584 24 E T > - 0 0 77 -2,-0.7 4,-1.7 1,-0.1 3,-0.3 -0.621 30.7-119.4 -97.8 156.4 -47.1 -47.3 39.9 585 25 E T H > S+ 0 0 12 -2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.820 111.8 59.4 -56.6 -32.2 -49.1 -50.3 41.1 586 26 E G H > S+ 0 0 21 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.926 103.2 46.7 -65.7 -48.3 -52.3 -48.2 40.5 587 27 E E H > S+ 0 0 70 -3,-0.3 4,-2.9 2,-0.3 5,-0.3 0.915 108.4 56.0 -61.2 -45.6 -51.8 -47.6 36.8 588 28 E I H X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.941 114.2 42.7 -51.1 -44.9 -51.0 -51.2 36.1 589 29 E V H ><>S+ 0 0 17 -4,-1.6 5,-2.0 2,-0.2 3,-0.6 0.926 109.6 54.0 -68.8 -47.0 -54.3 -51.9 37.8 590 30 E K H ><5S+ 0 0 171 -4,-3.2 3,-0.7 1,-0.2 -2,-0.2 0.914 116.0 41.0 -54.8 -43.7 -56.3 -49.2 36.1 591 31 E L H 3<5S+ 0 0 54 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.598 111.7 53.2 -82.9 -13.1 -55.2 -50.5 32.7 592 32 E S T <<5S- 0 0 0 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.281 108.1-120.7-102.2 10.5 -55.5 -54.2 33.4 593 33 E E T < 5S+ 0 0 120 -3,-0.7 2,-0.2 -4,-0.4 -3,-0.2 0.942 76.3 116.1 47.6 52.6 -59.1 -53.7 34.5 594 34 E S < - 0 0 24 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.625 64.3-106.9-131.4-169.9 -58.1 -55.1 37.9 595 35 E S > - 0 0 61 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.930 21.5-123.9-126.4 149.2 -57.8 -54.0 41.5 596 36 E K H > S+ 0 0 111 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.933 119.7 56.7 -55.1 -40.6 -54.8 -53.2 43.7 597 37 E G H > S+ 0 0 54 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.951 107.7 46.4 -52.0 -52.8 -56.3 -55.9 45.9 598 38 E N H > S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.897 113.1 47.8 -58.2 -45.8 -56.2 -58.3 43.0 599 39 E L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 3,-0.3 0.937 107.7 55.2 -62.4 -48.6 -52.6 -57.5 42.0 600 40 E Y H < S+ 0 0 97 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.778 105.4 53.7 -57.9 -28.7 -51.2 -57.8 45.5 601 41 E Y H < S+ 0 0 186 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.914 113.2 40.5 -73.3 -42.4 -52.6 -61.3 45.9 602 42 E H H < S+ 0 0 56 -4,-1.4 2,-0.4 -3,-0.3 -2,-0.2 0.866 132.0 22.2 -72.8 -41.9 -51.0 -62.7 42.7 603 43 E F S < S- 0 0 0 -4,-2.5 -1,-0.2 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4,-2.9 1,-0.2 -2,-0.2 0.955 110.5 50.7 -62.7 -48.9 -41.7 -60.3 34.4 614 54 E L H X S+ 0 0 4 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.846 108.8 53.8 -57.9 -34.7 -37.9 -60.3 34.2 615 55 E N H X S+ 0 0 97 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.955 108.9 46.2 -65.5 -50.5 -38.0 -64.1 34.6 616 56 E I H X S+ 0 0 71 -4,-2.4 4,-3.3 1,-0.2 5,-0.4 0.948 110.5 54.3 -58.0 -48.7 -40.3 -64.6 31.8 617 57 E E H X S+ 0 0 5 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.926 109.4 47.2 -51.6 -49.0 -38.3 -62.3 29.6 618 58 E E H X S+ 0 0 9 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.964 115.3 46.1 -57.8 -51.5 -35.1 -64.3 30.2 619 59 E S H X S+ 0 0 72 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.942 112.7 47.8 -55.3 -56.5 -36.9 -67.6 29.6 620 60 E K H X S+ 0 0 109 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.838 116.5 47.1 -54.7 -34.3 -38.7 -66.4 26.4 621 61 E W H X S+ 0 0 6 -4,-2.1 4,-2.1 -5,-0.4 -2,-0.2 0.870 108.4 51.9 -76.2 -41.0 -35.3 -65.0 25.2 622 62 E Q H X S+ 0 0 100 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.888 113.5 46.6 -63.9 -38.1 -33.3 -68.1 26.1 623 63 E E H X S+ 0 0 87 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.956 109.9 51.2 -69.2 -50.6 -35.8 -70.2 24.1 624 64 E Q H X S+ 0 0 45 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.862 113.9 46.5 -55.1 -35.0 -35.8 -67.8 21.1 625 65 E W H X S+ 0 0 19 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.841 106.3 58.4 -75.8 -33.7 -32.0 -68.0 21.1 626 66 E K H X S+ 0 0 135 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.901 113.7 38.1 -60.7 -42.6 -32.0 -71.9 21.4 627 67 E K H < S+ 0 0 143 -4,-2.1 3,-0.3 1,-0.1 4,-0.2 0.878 117.8 52.1 -76.4 -37.8 -34.0 -72.1 18.2 628 68 E E H >< S+ 0 0 41 -4,-1.8 3,-1.9 -5,-0.3 -2,-0.2 0.870 97.2 60.3 -67.7 -45.5 -32.1 -69.3 16.5 629 69 E Q H >< S+ 0 0 56 -4,-2.5 3,-2.8 1,-0.3 -1,-0.2 0.796 87.0 75.4 -58.3 -31.7 -28.5 -70.3 16.9 630 70 E I T 3< S+ 0 0 137 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.760 86.7 66.6 -51.0 -24.3 -29.0 -73.6 15.0 631 71 E K T < S+ 0 0 160 -3,-1.9 2,-0.6 -4,-0.2 -1,-0.3 0.611 91.3 68.5 -75.2 -14.7 -29.0 -71.3 11.9 632 72 E A < - 0 0 10 -3,-2.8 6,-0.1 1,-0.2 -1,-0.1 -0.936 64.8-163.7-113.8 116.4 -25.3 -70.3 12.3 633 73 E K S S+ 0 0 180 -2,-0.6 -1,-0.2 4,-0.1 2,-0.1 0.957 70.4 42.2 -59.5 -61.1 -22.7 -73.0 11.7 634 74 E T S > S- 0 0 37 1,-0.1 4,-1.6 65,-0.0 3,-0.1 -0.468 78.7-123.9 -90.3 162.1 -19.6 -71.6 13.3 635 75 E N H > S+ 0 0 14 2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.751 114.0 63.8 -74.5 -25.5 -19.3 -69.7 16.6 636 76 E R H > S+ 0 0 118 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.867 110.8 43.5 -61.4 -32.5 -17.7 -66.8 14.8 637 77 E E H > S+ 0 0 82 2,-0.2 4,-2.8 1,-0.2 -2,-0.3 0.847 105.6 57.1 -80.6 -40.2 -21.2 -66.8 13.3 638 78 E K H X S+ 0 0 32 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.790 107.0 52.4 -64.4 -26.3 -23.3 -67.4 16.4 639 79 E F H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.858 110.9 45.9 -76.2 -38.1 -21.7 -64.2 17.9 640 80 E Y H X S+ 0 0 42 -4,-0.8 4,-1.3 -5,-0.2 -2,-0.2 0.963 116.1 45.7 -67.3 -52.4 -22.6 -62.1 14.8 641 81 E L H >X S+ 0 0 32 -4,-2.8 4,-2.6 1,-0.2 3,-0.8 0.947 110.9 52.8 -55.1 -55.5 -26.2 -63.5 14.7 642 82 E Y H 3X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.915 108.9 47.6 -48.2 -55.3 -26.8 -63.1 18.4 643 83 E N H 3< S+ 0 0 0 -4,-1.7 4,-0.4 1,-0.2 -1,-0.3 0.754 112.8 51.5 -60.1 -26.5 -25.8 -59.4 18.5 644 84 E E H XX S+ 0 0 63 -4,-1.3 3,-1.0 -3,-0.8 4,-0.7 0.881 108.0 50.0 -77.5 -42.0 -28.0 -58.8 15.5 645 85 E L H >X S+ 0 0 15 -4,-2.6 3,-3.3 1,-0.3 4,-2.6 0.968 99.3 67.3 -59.3 -50.6 -31.0 -60.5 17.1 646 86 E S H 3< S+ 0 0 1 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.715 97.9 54.2 -40.2 -29.9 -30.4 -58.3 20.2 647 87 E L H <4 S+ 0 0 13 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.753 119.8 30.0 -78.8 -26.2 -31.4 -55.3 18.0 648 88 E T H << S+ 0 0 77 -3,-3.3 -2,-0.2 -4,-0.7 -3,-0.1 0.723 88.4 107.9-109.1 -25.7 -34.7 -56.9 17.0 649 89 E T < - 0 0 12 -4,-2.6 -28,-0.0 1,-0.1 -243,-0.0 -0.150 57.6-146.7 -55.9 148.7 -35.9 -59.1 19.7 650 90 E E S S+ 0 0 35 -243,-0.1 2,-0.2 3,-0.1 -1,-0.1 0.552 72.5 93.2 -91.5 -8.0 -38.9 -57.9 21.8 651 91 E Y S S- 0 0 32 2,-0.1 2,-2.8 -31,-0.1 -2,-0.1 -0.597 96.3 -24.5 -93.9 148.8 -37.5 -59.6 24.8 652 92 E Y S > S+ 0 0 30 -2,-0.2 3,-2.3 1,-0.2 4,-0.2 -0.260 117.1 73.8 58.6 -66.6 -35.3 -58.3 27.6 653 93 E Y G > S+ 0 0 14 -2,-2.8 3,-1.5 1,-0.3 4,-0.3 0.804 88.3 58.9 -49.8 -37.8 -33.6 -55.5 25.8 654 94 E P G 3 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.715 103.8 56.0 -68.5 -13.0 -36.6 -53.2 25.8 655 95 E L G <> S+ 0 0 0 -3,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.361 71.4 105.1 -97.5 3.8 -36.6 -53.3 29.6 656 96 E Q H <> S+ 0 0 7 -3,-1.5 4,-2.6 -4,-0.2 5,-0.3 0.938 79.2 54.1 -47.6 -55.7 -33.0 -52.2 30.2 657 97 E N H >> S+ 0 0 15 -4,-0.3 4,-1.8 1,-0.3 3,-0.5 0.933 112.9 41.1 -44.6 -60.6 -34.1 -48.8 31.3 658 98 E A H 3> S+ 0 0 0 -4,-0.2 4,-2.3 -83,-0.2 -1,-0.3 0.809 113.9 57.2 -60.6 -29.0 -36.5 -50.2 33.9 659 99 E I H 3X S+ 0 0 21 -4,-2.4 4,-2.3 -3,-0.2 -1,-0.2 0.843 104.9 46.8 -74.9 -32.8 -33.9 -52.8 34.9 660 100 E I H < S+ 0 0 85 -4,-1.7 3,-0.6 1,-0.2 4,-0.3 0.930 111.8 50.7 -73.3 -41.6 -30.0 -49.6 41.9 665 105 E E H 3< S+ 0 0 94 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.727 124.7 29.7 -66.0 -20.3 -33.1 -49.4 44.1 666 106 E Y H 3< S+ 0 0 29 -4,-1.5 3,-0.5 -5,-0.2 -1,-0.2 0.335 79.0 119.1-122.6 9.0 -32.6 -53.0 45.2 667 107 E Y S << S+ 0 0 107 -4,-0.8 2,-0.9 -3,-0.6 -2,-0.1 0.868 80.5 46.0 -38.0 -54.0 -28.8 -53.5 45.0 668 108 E K S S+ 0 0 146 -4,-0.3 -1,-0.3 1,-0.1 3,-0.1 -0.627 79.0 97.7-101.8 77.1 -28.6 -54.3 48.7 669 109 E T >> - 0 0 57 -2,-0.9 3,-3.9 -3,-0.5 4,-1.1 -0.448 63.3-151.1-153.7 63.5 -31.4 -56.8 49.5 670 110 E N H 3> S+ 0 0 94 1,-0.3 4,-3.4 2,-0.2 5,-0.4 0.523 93.1 50.6 -3.4 -64.2 -29.6 -60.1 49.4 671 111 E S H 3> S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.876 120.2 36.6 -55.5 -40.3 -32.7 -62.2 48.4 672 112 E I H <> S+ 0 0 26 -3,-3.9 4,-1.0 2,-0.2 -2,-0.2 0.876 119.2 48.3 -80.5 -40.1 -33.3 -59.7 45.5 673 113 E N H X S+ 0 0 28 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.882 114.2 46.0 -67.8 -39.0 -29.7 -59.1 44.6 674 114 E E H X S+ 0 0 91 -4,-3.4 4,-1.2 -5,-0.3 -1,-0.2 0.894 116.0 44.1 -71.5 -40.6 -28.8 -62.8 44.6 675 115 E K H X S+ 0 0 82 -4,-1.2 4,-0.9 -5,-0.4 -1,-0.2 0.683 113.8 53.7 -76.6 -16.4 -31.8 -63.8 42.5 676 116 E X H X S+ 0 0 10 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.861 106.8 50.0 -80.9 -42.0 -31.0 -60.7 40.4 677 117 E N H X S+ 0 0 52 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.770 102.8 61.2 -67.9 -27.3 -27.5 -61.9 39.8 678 118 E K H X S+ 0 0 128 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.931 107.3 45.1 -65.7 -41.1 -28.8 -65.3 38.8 679 119 E L H X S+ 0 0 12 -4,-0.9 4,-1.8 1,-0.2 3,-0.4 0.945 109.3 55.9 -65.2 -47.0 -30.6 -63.5 36.0 680 120 E E H X S+ 0 0 62 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.895 105.7 52.0 -50.6 -45.5 -27.5 -61.5 35.2 681 121 E N H X S+ 0 0 103 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.876 104.4 55.9 -62.8 -38.4 -25.5 -64.7 34.8 682 122 E K H X S+ 0 0 117 -4,-1.5 4,-0.7 -3,-0.4 -1,-0.2 0.921 107.9 47.3 -62.9 -41.7 -28.0 -66.2 32.3 683 123 E Y H < S+ 0 0 18 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.775 115.9 46.1 -70.4 -23.5 -27.8 -63.3 29.9 684 124 E I H >X S+ 0 0 17 -4,-1.3 4,-1.7 -5,-0.2 3,-0.8 0.762 98.9 69.7 -87.2 -26.8 -24.0 -63.4 30.1 685 125 E D H 3X S+ 0 0 79 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.759 86.3 68.6 -62.0 -25.8 -23.8 -67.2 29.7 686 126 E A H 3X S+ 0 0 14 -4,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.911 106.4 38.6 -60.8 -42.7 -24.9 -66.8 26.1 687 127 E Y H <> S+ 0 0 1 -3,-0.8 4,-2.5 -4,-0.3 -1,-0.2 0.816 111.7 59.9 -76.3 -32.3 -21.6 -65.2 25.2 688 128 E H H X S+ 0 0 55 -4,-1.7 4,-3.1 1,-0.2 5,-0.3 0.960 106.8 45.8 -59.9 -50.1 -19.8 -67.6 27.5 689 129 E V H X S+ 0 0 62 -4,-2.9 4,-2.1 2,-0.2 5,-0.3 0.901 111.1 52.2 -59.8 -44.7 -21.0 -70.6 25.5 690 130 E I H X S+ 0 0 3 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.953 116.4 40.2 -57.9 -47.9 -20.2 -69.0 22.2 691 131 E F H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.886 112.7 51.2 -70.7 -43.6 -16.6 -68.2 23.4 692 132 E K H X S+ 0 0 118 -4,-3.1 4,-1.8 -5,-0.2 3,-0.3 0.968 117.1 42.4 -58.8 -49.7 -15.8 -71.5 25.3 693 133 E E H < S+ 0 0 77 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.904 108.6 57.2 -63.4 -42.1 -16.9 -73.4 22.2 694 134 E G H ><>S+ 0 0 0 -4,-2.3 5,-2.7 -5,-0.3 6,-0.8 0.851 107.5 54.4 -56.3 -31.3 -15.2 -71.1 19.8 695 135 E N H ><5S+ 0 0 44 -4,-1.7 3,-2.9 -3,-0.3 2,-2.1 0.999 107.3 42.5 -64.7 -74.3 -12.1 -72.0 21.8 696 136 E L T 3<5S+ 0 0 121 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.066 113.8 58.6 -67.8 35.1 -12.1 -75.8 21.7 697 137 E N T < 5S- 0 0 94 -2,-2.1 -1,-0.3 -3,-0.8 -2,-0.2 0.135 110.9-118.3-141.9 6.5 -13.0 -75.3 18.0 698 138 E G T < 5S+ 0 0 73 -3,-2.9 -3,-0.2 2,-0.2 -2,-0.1 0.777 78.0 123.3 56.6 33.9 -9.9 -73.3 17.0 699 139 E E S - 0 0 85 1,-0.2 4,-1.8 2,-0.0 -1,-0.3 -0.953 65.8-173.0-116.1 114.0 -10.4 -65.2 30.3 705 145 E V H > S+ 0 0 18 -2,-0.6 4,-3.9 -3,-0.3 5,-0.3 0.992 82.0 54.0 -67.2 -64.7 -13.9 -66.0 29.0 706 146 E N H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.812 111.8 50.2 -42.2 -36.3 -16.1 -64.8 31.7 707 147 E A H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.989 114.4 39.8 -67.1 -60.5 -14.4 -61.4 31.4 708 148 E V H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.859 113.6 57.3 -58.1 -35.4 -14.7 -61.1 27.6 709 149 E S H X S+ 0 0 0 -4,-3.9 4,-2.3 2,-0.2 -1,-0.2 0.946 108.7 45.3 -61.2 -46.4 -18.2 -62.5 27.9 710 150 E K H X S+ 0 0 66 -4,-2.1 4,-2.2 -5,-0.3 5,-0.3 0.919 112.9 51.4 -61.9 -44.5 -19.2 -59.7 30.3 711 151 E I H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.953 110.5 48.0 -57.6 -51.6 -17.5 -57.2 28.1 712 152 E A H X S+ 0 0 0 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.954 111.5 50.4 -53.0 -57.8 -19.4 -58.4 25.0 713 153 E A H X S+ 0 0 15 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.941 115.9 38.6 -47.7 -63.5 -22.8 -58.4 26.7 714 154 E N H X S+ 0 0 23 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.851 116.1 51.8 -61.7 -35.2 -22.6 -54.9 28.2 715 155 E A H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.928 113.7 44.8 -67.3 -42.1 -21.0 -53.4 25.1 716 156 E V H X S+ 0 0 0 -4,-3.2 4,-3.0 -5,-0.3 -2,-0.2 0.905 109.0 54.8 -67.7 -40.7 -23.7 -54.9 22.9 717 157 E N H X S+ 0 0 5 -4,-2.9 4,-3.6 -5,-0.3 5,-0.3 0.918 105.4 57.7 -57.7 -39.3 -26.4 -53.8 25.2 718 158 E G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.934 109.1 41.1 -55.1 -51.8 -24.9 -50.4 24.8 719 159 E I H < S+ 0 0 1 -4,-1.7 4,-0.2 2,-0.2 -1,-0.2 0.909 116.3 51.7 -64.5 -42.6 -25.3 -50.4 21.0 720 160 E V H >< S+ 0 0 3 -4,-3.0 3,-0.6 1,-0.2 -2,-0.2 0.951 119.2 33.6 -61.9 -49.2 -28.7 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