==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIVIRAL PROTEIN 03-MAR-11 3QYF . COMPND 2 MOLECULE: CRISPR-ASSOCIATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR P.PETIT,X.XU,C CHANG,A.SAVCHENKO,A.F.YAKUNIN . 541 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 37 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 7 2 0 4 0 0 0 6 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 2 2 2 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 3 2 2 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 . 1 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -2 A F 0 0 100 0, 0.0 2,-0.3 0, 0.0 159,-0.1 0.000 360.0 360.0 360.0 167.9 26.3 34.7 44.4 2 -1 A Q + 0 0 65 1,-0.1 158,-0.2 157,-0.0 157,-0.2 -0.933 360.0 28.1-139.3 156.9 28.7 32.3 42.7 3 0 A G S S+ 0 0 57 156,-1.8 157,-0.2 155,-0.4 2,-0.2 0.614 81.4 135.1 71.2 16.1 28.7 29.4 40.2 4 1 A X - 0 0 28 151,-0.1 157,-2.4 -3,-0.1 2,-0.8 -0.495 60.2-121.9 -94.5 164.3 25.5 30.4 38.4 5 2 A E E -ab 93 161A 37 87,-3.0 89,-2.1 155,-0.2 2,-0.5 -0.900 35.1-161.0-103.2 102.8 24.6 30.5 34.7 6 3 A V E -ab 94 162A 0 155,-3.2 157,-3.2 -2,-0.8 2,-0.5 -0.775 7.2-162.8 -96.0 124.7 23.6 34.1 34.2 7 4 A H E -ab 95 163A 0 87,-2.7 89,-3.3 -2,-0.5 2,-0.5 -0.916 4.2-157.6-106.3 125.2 21.5 35.0 31.2 8 5 A V E +ab 96 164A 0 155,-2.7 157,-3.0 -2,-0.5 2,-0.4 -0.894 21.0 171.8-104.0 126.7 21.4 38.7 30.2 9 6 A C E -ab 97 165A 0 87,-2.6 89,-1.7 -2,-0.5 2,-0.1 -0.993 29.0-136.0-146.2 126.8 18.3 39.6 28.1 10 7 A S E -a 98 0A 7 155,-0.7 2,-0.6 -2,-0.4 89,-0.2 -0.488 29.4-123.1 -75.0 152.5 16.8 42.8 26.8 11 8 A V + 0 0 9 87,-2.1 89,-0.3 -2,-0.1 98,-0.1 -0.891 33.4 173.5-106.6 115.4 13.0 43.0 27.1 12 9 A G - 0 0 19 -2,-0.6 3,-0.2 157,-0.1 63,-0.0 -0.221 40.5-107.9 -97.9-163.2 10.9 43.6 24.0 13 10 A T S > S+ 0 0 31 25,-0.2 4,-1.9 1,-0.1 3,-0.5 0.088 77.4 115.5-119.8 23.0 7.2 43.7 23.6 14 11 A S H > S+ 0 0 33 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.845 75.0 63.1 -59.9 -29.2 6.5 40.4 21.7 15 12 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 103.9 46.3 -58.4 -45.7 4.6 39.2 24.8 16 13 A L H 4 S+ 0 0 0 -3,-0.5 4,-0.5 2,-0.2 -1,-0.2 0.907 114.4 47.2 -66.0 -43.5 2.1 42.0 24.4 17 14 A K H >< S+ 0 0 130 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.952 113.9 46.7 -63.7 -48.8 1.7 41.4 20.7 18 15 A N H >< S+ 0 0 59 -4,-3.3 3,-1.7 1,-0.3 -1,-0.2 0.801 100.4 68.5 -64.2 -29.7 1.3 37.6 21.1 19 16 A S G >< S+ 0 0 0 -4,-1.9 3,-2.4 1,-0.3 7,-0.4 0.662 77.5 79.9 -68.3 -15.6 -1.2 38.0 23.9 20 17 A L G < S+ 0 0 29 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.1 0.697 79.4 71.1 -64.3 -16.0 -3.8 39.4 21.6 21 18 A D G < S+ 0 0 77 -3,-1.7 2,-0.7 -4,-0.2 -1,-0.3 0.641 81.6 85.7 -70.9 -15.1 -4.4 35.8 20.6 22 19 A D S <> S- 0 0 29 -3,-2.4 4,-3.2 1,-0.2 5,-0.2 -0.814 74.8-151.1 -89.9 116.9 -6.0 35.5 24.1 23 20 A D H > S+ 0 0 99 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.859 95.2 51.0 -57.1 -41.1 -9.6 36.6 23.8 24 21 A N H > S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.942 114.2 43.7 -63.7 -46.5 -9.7 37.8 27.4 25 22 A V H > S+ 0 0 3 -6,-0.2 4,-2.6 1,-0.2 5,-0.2 0.956 113.9 51.0 -60.7 -49.7 -6.6 39.9 26.9 26 23 A R H X S+ 0 0 75 -4,-3.2 4,-2.7 -7,-0.4 -2,-0.2 0.893 110.3 47.1 -59.3 -45.6 -7.8 41.2 23.5 27 24 A K H X S+ 0 0 73 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.896 114.3 47.5 -65.9 -39.3 -11.2 42.4 24.6 28 25 A E H X S+ 0 0 54 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.889 112.8 48.2 -66.3 -41.7 -9.8 44.1 27.7 29 26 A I H <>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 3,-0.4 0.905 110.7 51.6 -66.3 -41.9 -7.1 45.8 25.7 30 27 A E H ><5S+ 0 0 95 -4,-2.7 3,-1.6 -5,-0.2 -2,-0.2 0.907 104.6 57.7 -57.4 -41.9 -9.7 46.9 23.1 31 28 A R H 3<5S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.851 112.2 40.8 -56.8 -33.5 -11.7 48.3 26.1 32 29 A L T 3<5S- 0 0 41 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.355 113.2-118.7 -97.8 5.1 -8.7 50.5 26.9 33 30 A G T < 5S+ 0 0 34 -3,-1.6 -3,-0.2 -4,-0.3 3,-0.2 0.903 75.1 129.9 57.0 44.6 -8.0 51.3 23.2 34 31 A L > < + 0 0 0 -5,-2.7 3,-2.6 -8,-0.1 -4,-0.2 0.008 11.7 131.5-116.5 25.4 -4.6 49.6 23.5 35 32 A K T 3 S+ 0 0 93 1,-0.3 3,-0.2 -6,-0.3 -1,-0.1 0.743 80.7 44.1 -52.8 -25.2 -4.7 47.3 20.5 36 33 A D T > S+ 0 0 39 -3,-0.2 3,-2.3 1,-0.2 -1,-0.3 0.001 72.7 129.0-108.6 29.0 -1.3 48.6 19.5 37 34 A W G X + 0 0 0 -3,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.681 65.5 64.9 -63.5 -17.4 0.3 48.5 23.0 38 35 A D G 3 S+ 0 0 26 -3,-0.2 -1,-0.3 1,-0.2 -25,-0.2 0.668 110.1 38.1 -75.6 -15.9 3.3 46.5 21.7 39 36 A R G < S+ 0 0 187 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.250 80.8 141.6-117.5 7.9 4.3 49.5 19.6 40 37 A L < - 0 0 11 -3,-0.5 2,-0.1 -4,-0.3 64,-0.1 -0.314 48.4-130.4 -58.1 126.9 3.4 52.3 22.0 41 38 A K > - 0 0 51 1,-0.1 3,-2.1 -2,-0.1 6,-0.2 -0.426 22.5-105.9 -79.3 157.8 6.1 55.0 21.8 42 39 A F T 3 S+ 0 0 107 1,-0.3 61,-0.2 -2,-0.1 -1,-0.1 0.740 118.5 43.2 -53.7 -30.3 7.7 56.4 25.0 43 40 A D T 3 S+ 0 0 116 59,-0.1 2,-0.4 4,-0.0 -1,-0.3 0.187 79.9 125.5-107.2 17.3 5.7 59.7 24.8 44 41 A D X - 0 0 49 -3,-2.1 3,-2.0 1,-0.2 4,-0.3 -0.640 59.9-140.0 -76.3 128.3 2.3 58.3 24.0 45 42 A D T > S+ 0 0 88 -2,-0.4 3,-1.7 1,-0.3 4,-0.3 0.790 98.2 71.4 -58.7 -27.3 -0.2 59.5 26.5 46 43 A R T >> S+ 0 0 61 1,-0.3 3,-1.3 2,-0.2 4,-1.2 0.671 74.5 80.6 -67.3 -16.8 -1.8 56.0 26.4 47 44 A Q H <> S+ 0 0 14 -3,-2.0 4,-2.4 1,-0.3 -1,-0.3 0.851 86.7 62.2 -54.0 -32.1 1.3 54.6 28.3 48 45 A N H <> S+ 0 0 104 -3,-1.7 4,-3.0 -4,-0.3 -1,-0.3 0.802 93.7 59.3 -66.2 -29.4 -0.5 56.0 31.3 49 46 A R H <> S+ 0 0 111 -3,-1.3 4,-0.9 -4,-0.3 -1,-0.2 0.868 107.3 47.4 -66.2 -35.5 -3.5 53.7 30.7 50 47 A I H >< S+ 0 0 0 -4,-1.2 3,-0.8 -3,-0.3 -2,-0.2 0.960 113.2 48.7 -66.2 -48.5 -1.0 50.8 31.1 51 48 A K H >< S+ 0 0 139 -4,-2.4 3,-1.4 1,-0.2 4,-0.2 0.908 109.4 51.0 -57.2 -44.6 0.4 52.4 34.2 52 49 A E H 3< S+ 0 0 74 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.749 121.8 33.9 -68.2 -21.2 -3.0 53.0 35.8 53 50 A N T S+ 0 0 40 -3,-1.4 4,-2.2 1,-0.2 5,-0.1 0.848 71.1 45.7 -55.6 -49.3 -0.6 47.8 35.7 55 52 A D H > S+ 0 0 107 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 114.6 48.3 -68.1 -37.5 -1.3 45.1 38.3 56 53 A S H > S+ 0 0 56 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 113.6 46.2 -67.0 -44.1 -4.5 43.9 36.5 57 54 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 -7,-0.2 5,-0.2 0.877 108.7 57.2 -68.7 -36.3 -2.7 43.7 33.1 58 55 A R H X S+ 0 0 50 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.929 108.1 45.9 -59.5 -46.4 0.2 41.9 34.7 59 56 A K H X S+ 0 0 52 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.881 111.6 52.0 -67.2 -37.1 -2.0 39.2 36.1 60 57 A X H X S+ 0 0 50 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.918 110.8 47.6 -64.5 -42.5 -3.8 38.8 32.8 61 58 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.879 109.2 54.3 -67.3 -35.9 -0.5 38.4 30.9 62 59 A L H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.914 106.7 51.1 -63.1 -42.1 0.7 35.9 33.5 63 60 A K H X S+ 0 0 127 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.922 109.0 52.5 -60.1 -41.3 -2.4 33.8 32.9 64 61 A F H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 3,-0.3 0.940 111.7 44.1 -58.2 -50.5 -1.7 34.0 29.1 65 62 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.940 108.2 58.3 -61.6 -47.1 1.9 32.7 29.6 66 63 A R H < S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 116.8 35.0 -51.1 -35.0 0.9 30.0 32.0 67 64 A S H < S+ 0 0 95 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.814 121.4 45.1 -90.7 -31.2 -1.4 28.6 29.3 68 65 A K H < S- 0 0 107 -4,-2.6 3,-0.4 1,-0.2 -3,-0.2 0.836 91.9-153.8 -83.6 -36.9 0.6 29.4 26.2 69 66 A G >< - 0 0 24 -4,-3.0 3,-2.2 -5,-0.2 -1,-0.2 -0.471 53.5 -22.4 90.2-164.6 4.1 28.2 27.3 70 67 A R G > S+ 0 0 76 1,-0.3 3,-1.1 -2,-0.1 7,-0.4 0.723 125.8 69.7 -56.0 -24.9 7.5 29.3 26.1 71 68 A R G 3 S+ 0 0 63 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.517 71.1 94.2 -77.8 0.4 6.1 30.6 22.8 72 69 A A G < S+ 0 0 0 -3,-2.2 2,-0.3 -7,-0.1 -1,-0.2 0.817 98.7 6.4 -56.4 -32.7 4.3 33.4 24.6 73 70 A S <> - 0 0 2 -3,-1.1 4,-2.9 -4,-0.2 5,-0.2 -0.997 69.0-116.1-153.6 157.7 7.3 35.7 24.0 74 71 A A H > S+ 0 0 27 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 0.865 116.8 53.4 -60.8 -39.1 10.6 35.9 22.1 75 72 A E H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.959 112.8 41.0 -57.4 -54.8 12.4 36.2 25.5 76 73 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.900 115.8 49.8 -65.0 -42.4 10.8 33.1 26.9 77 74 A D H X S+ 0 0 12 -4,-2.9 4,-2.1 -7,-0.4 5,-0.2 0.962 116.3 41.7 -62.4 -50.0 11.1 31.0 23.7 78 75 A S H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.906 116.5 49.0 -65.8 -42.0 14.8 31.9 23.3 79 76 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.978 114.5 42.1 -60.2 -56.1 15.6 31.5 27.0 80 77 A F H X S+ 0 0 32 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.883 113.3 52.8 -64.7 -37.4 14.0 28.1 27.5 81 78 A S H X S+ 0 0 15 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.895 111.9 47.2 -62.7 -36.9 15.3 26.7 24.2 82 79 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.836 104.4 58.1 -77.3 -33.1 18.8 27.8 25.3 83 80 A F H X>S+ 0 0 10 -4,-2.3 5,-2.5 1,-0.2 4,-0.8 0.918 111.3 45.1 -57.2 -42.5 18.6 26.3 28.8 84 81 A E H <5S+ 0 0 117 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.911 113.4 48.6 -67.9 -42.8 17.9 23.0 27.0 85 82 A K H <5S+ 0 0 65 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.903 120.3 35.7 -64.3 -43.7 20.7 23.3 24.5 86 83 A L H <5S- 0 0 39 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.474 109.5-120.3 -92.5 -3.4 23.4 24.3 27.0 87 84 A K T <5 + 0 0 105 -4,-0.8 2,-0.6 1,-0.2 -3,-0.2 0.949 49.8 165.8 62.6 50.6 22.0 22.0 29.7 88 85 A H < - 0 0 14 -5,-2.5 2,-0.2 -6,-0.2 -1,-0.2 -0.873 27.0-142.3 -95.6 127.0 21.4 24.7 32.3 89 86 A N >> - 0 0 97 -2,-0.6 3,-2.3 1,-0.1 4,-0.8 -0.615 19.8-116.5 -89.6 149.6 19.2 23.5 35.1 90 87 A K G >4 S+ 0 0 101 1,-0.3 3,-1.1 -2,-0.2 32,-0.4 0.869 115.6 56.0 -51.9 -41.8 16.6 25.8 36.7 91 88 A S G 34 S+ 0 0 85 1,-0.2 -1,-0.3 30,-0.1 30,-0.0 0.637 110.0 48.0 -64.2 -15.3 18.4 25.7 40.1 92 89 A E G <4 S+ 0 0 67 -3,-2.3 -87,-3.0 -88,-0.1 -1,-0.2 0.565 94.2 96.5 -99.4 -13.9 21.6 27.0 38.3 93 90 A I E << -a 5 0A 0 -3,-1.1 29,-0.7 -4,-0.8 2,-0.4 -0.526 42.6-177.5 -93.0 145.5 20.1 29.9 36.3 94 91 A Y E -ac 6 122A 33 -89,-2.1 -87,-2.7 -2,-0.2 2,-0.7 -0.956 15.0-155.7-133.7 117.9 19.8 33.6 37.0 95 92 A V E -ac 7 123A 0 27,-2.6 29,-2.4 -2,-0.4 2,-0.8 -0.854 4.8-164.9-100.0 114.3 18.0 35.6 34.3 96 93 A F E -ac 8 124A 0 -89,-3.3 -87,-2.6 -2,-0.7 2,-0.3 -0.876 14.1-175.1-100.4 106.7 19.0 39.3 34.3 97 94 A L E -ac 9 125A 0 27,-3.2 29,-2.6 -2,-0.8 2,-0.4 -0.788 8.9-168.2-103.2 147.7 16.4 41.3 32.3 98 95 A Y E +ac 10 126A 2 -89,-1.7 -87,-2.1 -2,-0.3 2,-0.3 -0.995 8.6 172.5-136.7 134.7 16.5 44.9 31.4 99 96 A S E - c 0 127A 2 27,-2.2 29,-2.7 -2,-0.4 -87,-0.1 -0.896 35.9 -97.1-128.4 163.5 13.7 47.1 30.0 100 97 A T E - c 0 128A 27 -89,-0.3 2,-1.5 -2,-0.3 29,-0.2 -0.303 43.9-101.8 -69.3 162.1 13.2 50.8 29.2 101 98 A N S S+ 0 0 86 27,-1.5 2,-0.3 4,-0.1 29,-0.1 -0.394 85.3 115.6 -83.4 56.6 11.5 53.0 31.8 102 99 A T S > S- 0 0 14 -2,-1.5 4,-2.9 1,-0.1 5,-0.3 -0.941 73.7-120.6-123.0 150.0 8.3 52.9 29.7 103 100 A S H > S+ 0 0 24 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.904 109.1 46.2 -58.0 -47.2 5.0 51.4 30.9 104 101 A N H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 117.2 42.5 -65.3 -44.1 4.6 48.8 28.1 105 102 A S H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.924 114.9 50.0 -68.0 -43.9 8.2 47.6 28.2 106 103 A Q H X S+ 0 0 57 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.868 108.5 53.9 -63.9 -35.3 8.2 47.5 32.0 107 104 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.958 110.1 46.0 -60.4 -51.9 5.0 45.5 32.0 108 105 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.913 113.9 51.4 -55.3 -42.6 6.4 42.9 29.7 109 106 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.915 110.6 44.8 -64.4 -47.7 9.6 42.8 31.9 110 107 A E H X S+ 0 0 39 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.873 113.7 51.0 -65.5 -38.0 7.8 42.3 35.2 111 108 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.928 112.5 45.5 -64.2 -46.1 5.5 39.7 33.8 112 109 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.934 114.4 48.4 -65.3 -44.9 8.5 37.7 32.3 113 110 A R H X S+ 0 0 58 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.942 112.9 47.8 -56.5 -48.6 10.5 38.0 35.5 114 111 A D H X S+ 0 0 26 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.870 111.3 51.0 -66.2 -34.5 7.5 36.9 37.6 115 112 A Y H X S+ 0 0 18 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.950 108.3 50.4 -66.4 -49.7 6.8 34.0 35.3 116 113 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-0.3 0.929 110.8 51.2 -51.6 -46.1 10.4 32.7 35.4 117 114 A I H ><5S+ 0 0 86 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.902 105.7 54.2 -61.1 -40.9 10.3 33.0 39.2 118 115 A E H 3<5S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.851 107.1 52.6 -59.9 -34.8 7.0 30.9 39.4 119 116 A E T 3<5S- 0 0 71 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.363 128.0 -99.0 -83.5 1.6 8.8 28.2 37.3 120 117 A G T < 5S+ 0 0 46 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.668 82.3 128.2 91.3 19.6 11.7 28.1 39.8 121 118 A I < - 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0 0 12 -3,-0.5 2,-0.1 -4,-0.4 64,-0.1 -0.301 49.8-132.4 -58.9 134.2 10.6 34.5 -0.3 313 38 B K > - 0 0 51 1,-0.1 3,-1.6 63,-0.0 6,-0.1 -0.411 26.6-101.1 -83.1 165.2 12.8 31.9 1.4 314 39 B F T 3 S+ 0 0 102 1,-0.3 61,-0.2 -2,-0.1 -1,-0.1 0.782 121.2 44.4 -57.2 -31.1 15.8 30.4 -0.4 315 40 B D T 3 S+ 0 0 112 59,-0.1 2,-0.3 4,-0.0 -1,-0.3 0.402 80.9 121.0 -98.9 1.7 14.0 27.2 -1.3 316 41 B D X - 0 0 37 -3,-1.6 3,-2.2 1,-0.2 4,-0.3 -0.516 61.2-141.2 -69.3 126.7 10.7 28.7 -2.5 317 42 B D T > S+ 0 0 126 -2,-0.3 3,-1.3 1,-0.3 4,-0.4 0.715 97.1 74.2 -62.6 -20.1 10.1 27.7 -6.1 318 43 B R T 3> S+ 0 0 70 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.575 78.2 75.6 -69.7 -8.4 8.8 31.2 -6.7 319 44 B Q H <> S+ 0 0 12 -3,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.850 87.5 61.0 -65.1 -33.3 12.4 32.4 -6.6 320 45 B N H <> S+ 0 0 49 -3,-1.3 4,-2.7 -4,-0.3 -1,-0.2 0.803 96.9 58.0 -65.9 -30.5 12.7 30.9 -10.1 321 46 B R H > S+ 0 0 97 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.939 107.1 46.9 -62.2 -48.9 10.1 33.3 -11.4 322 47 B I H >< S+ 0 0 0 -4,-1.2 3,-0.6 1,-0.2 -2,-0.2 0.960 113.2 50.9 -54.5 -48.9 12.2 36.2 -10.2 323 48 B K H >< S+ 0 0 153 -4,-2.4 3,-1.2 1,-0.3 4,-0.2 0.892 108.8 48.8 -59.5 -44.5 15.2 34.5 -11.9 324 49 B E H 3< S+ 0 0 168 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.750 121.5 36.4 -70.0 -22.2 13.5 33.9 -15.3 325 50 B N T S+ 0 0 42 -3,-1.2 4,-2.8 1,-0.2 5,-0.2 0.882 71.4 47.4 -52.0 -52.4 15.4 39.1 -13.7 327 52 B D H > S+ 0 0 110 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 114.5 46.5 -60.5 -45.6 16.2 41.7 -16.4 328 53 B S H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 114.6 47.1 -61.6 -45.7 12.7 43.0 -16.7 329 54 B L H X S+ 0 0 2 -4,-2.5 4,-2.4 -7,-0.2 -2,-0.2 0.883 109.9 53.6 -65.4 -41.5 12.3 43.2 -13.0 330 55 B R H X S+ 0 0 62 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.956 109.6 46.4 -57.1 -53.6 15.6 45.0 -12.5 331 56 B K H X S+ 0 0 38 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.868 112.7 52.0 -58.8 -36.9 14.8 47.7 -15.1 332 57 B X H X S+ 0 0 48 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.891 109.5 47.8 -68.2 -41.1 11.4 48.1 -13.4 333 58 B L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.845 108.0 56.3 -67.5 -34.1 12.9 48.5 -10.0 334 59 B L H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.917 106.5 49.9 -64.9 -41.1 15.4 51.0 -11.3 335 60 B K H X S+ 0 0 134 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.925 109.7 52.4 -60.0 -43.7 12.5 53.1 -12.6 336 61 B F H X S+ 0 0 10 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.955 112.1 43.7 -57.6 -52.8 10.9 52.9 -9.2 337 62 B I H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.932 108.2 58.0 -57.7 -49.3 14.0 54.1 -7.4 338 63 B R H < S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.878 115.4 37.6 -48.9 -41.4 14.7 56.9 -9.9 339 64 B S H < S+ 0 0 88 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.778 122.0 42.9 -82.4 -28.9 11.3 58.3 -9.2 340 65 B K H < S- 0 0 103 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.864 90.3-156.1 -89.8 -39.3 11.2 57.6 -5.4 341 66 B G >< - 0 0 21 -4,-3.2 3,-2.1 1,-0.2 -1,-0.2 -0.549 53.9 -22.4 93.8-160.8 14.6 58.6 -4.2 342 67 B R G > S+ 0 0 75 1,-0.3 3,-1.4 -2,-0.2 7,-0.6 0.787 126.7 68.2 -58.9 -30.1 16.6 57.4 -1.2 343 68 B R G 3 S+ 0 0 126 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.583 74.4 92.6 -70.6 -4.6 13.4 56.4 0.7 344 69 B A G < S+ 0 0 0 -3,-2.1 2,-0.3 -7,-0.2 -1,-0.3 0.801 100.0 4.5 -56.5 -32.2 13.1 53.6 -1.9 345 70 B S <> - 0 0 2 -3,-1.4 4,-2.9 -4,-0.2 5,-0.2 -0.996 68.4-115.6-155.0 157.9 15.0 51.3 0.4 346 71 B A H > S+ 0 0 38 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.853 116.4 53.7 -61.9 -36.2 16.5 51.0 3.8 347 72 B E H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.954 112.7 41.0 -59.9 -54.4 20.0 50.6 2.2 348 73 B L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.913 115.3 50.8 -64.2 -44.4 19.6 53.8 0.1 349 74 B D H X S+ 0 0 13 -4,-2.9 4,-2.0 -7,-0.6 5,-0.2 0.949 115.1 41.9 -60.0 -50.1 18.1 55.8 2.9 350 75 B S H X S+ 0 0 1 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.879 116.2 50.2 -66.1 -39.6 20.8 54.9 5.4 351 76 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 3,-0.2 0.981 114.0 40.9 -61.7 -59.0 23.6 55.3 2.9 352 77 B F H X S+ 0 0 26 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.897 113.8 53.8 -61.3 -38.1 22.7 58.8 1.6 353 78 B S H X S+ 0 0 18 -4,-2.0 4,-1.9 -5,-0.4 -1,-0.2 0.886 111.7 46.3 -62.7 -35.4 21.8 60.1 5.0 354 79 B T H X S+ 0 0 0 -4,-1.5 4,-2.8 -3,-0.2 5,-0.2 0.860 105.7 57.1 -79.3 -34.6 25.2 59.0 6.3 355 80 B F H X>S+ 0 0 10 -4,-2.4 5,-2.8 1,-0.2 4,-0.6 0.920 111.7 45.2 -56.9 -43.8 27.1 60.5 3.3 356 81 B E H <5S+ 0 0 117 -4,-1.9 3,-0.2 3,-0.2 -2,-0.2 0.911 113.5 49.1 -66.9 -43.1 25.5 63.8 4.2 357 82 B K H <5S+ 0 0 70 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.919 120.4 34.6 -63.0 -45.6 26.2 63.4 8.0 358 83 B L H <5S- 0 0 42 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.446 110.6-120.5 -91.6 -1.4 29.9 62.5 7.6 359 84 B K T <5 + 0 0 175 -4,-0.6 2,-0.6 -3,-0.2 -3,-0.2 0.948 48.5 169.2 58.5 53.7 30.3 64.8 4.6 360 85 B H < - 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0 0 25 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.523 38.5-108.2 144.7 142.3 48.2 21.8 13.2 497 222 B Y S S+ 0 0 89 -2,-0.2 33,-2.9 1,-0.2 2,-0.5 0.742 110.8 45.8 -73.8 -21.0 44.5 22.7 13.2 498 223 B T E S-N 529 0E 70 31,-0.2 2,-0.4 -5,-0.1 31,-0.2 -0.993 78.2-178.5-121.7 125.6 43.6 19.4 14.9 499 224 B L E -N 528 0E 9 29,-3.0 29,-3.3 -2,-0.5 -3,-0.1 -0.954 27.6-117.3-128.9 138.5 45.8 18.5 17.8 500 225 B S E > -N 527 0E 50 -2,-0.4 4,-2.2 27,-0.3 27,-0.3 -0.319 34.8-112.4 -65.1 157.6 45.9 15.5 20.2 501 226 B E H > S+ 0 0 40 25,-1.5 4,-1.1 1,-0.2 10,-0.1 0.844 118.1 48.3 -62.9 -34.6 45.2 16.3 23.9 502 227 B K H > S+ 0 0 166 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.942 108.9 51.0 -71.6 -48.2 48.8 15.5 24.8 503 228 B R H > S+ 0 0 126 1,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.895 111.0 50.6 -53.8 -41.7 50.3 17.6 22.0 504 229 B A H <>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 4,-0.3 0.810 107.4 54.1 -66.7 -30.6 48.2 20.5 23.2 505 230 B E H ><5S+ 0 0 84 -4,-1.1 3,-1.1 -3,-0.4 -2,-0.2 0.883 104.1 53.8 -69.9 -40.3 49.4 19.9 26.7 506 231 B E H 3<5S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.746 108.6 51.4 -65.3 -23.7 53.0 20.2 25.6 507 232 B L T 3<5S- 0 0 42 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.496 110.4-121.1 -93.0 -5.2 52.2 23.5 24.1 508 233 B G T < 5 + 0 0 53 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.667 58.7 152.5 73.5 17.4 50.5 25.0 27.2 509 234 B I < - 0 0 7 -5,-1.9 2,-2.0 1,-0.1 -1,-0.2 -0.720 45.2-138.2 -85.3 119.8 47.2 25.5 25.4 510 235 B P >> + 0 0 42 0, 0.0 4,-1.6 0, 0.0 3,-1.6 -0.467 27.3 178.0 -79.4 75.2 44.3 25.4 27.8 511 236 B V H 3> S+ 0 0 22 -2,-2.0 4,-2.3 1,-0.3 5,-0.2 0.774 73.1 57.1 -50.3 -39.5 41.9 23.3 25.5 512 237 B R H 3> S+ 0 0 197 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.819 106.3 50.6 -67.7 -28.9 39.0 23.1 28.0 513 238 B L H <> S+ 0 0 68 -3,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.942 111.8 47.0 -69.5 -47.5 38.9 26.9 28.3 514 239 B L H <>S+ 0 0 0 -4,-1.6 5,-2.7 1,-0.2 6,-0.8 0.838 110.3 53.4 -62.9 -35.0 38.8 27.2 24.5 515 240 B E H ><5S+ 0 0 73 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.912 104.4 54.4 -66.2 -43.3 36.1 24.5 24.2 516 241 B A H 3<5S+ 0 0 60 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.7 49.4 -61.8 -31.6 33.8 26.3 26.7 517 242 B K T 3<5S- 0 0 20 -4,-1.4 -313,-0.4 -5,-0.1 -1,-0.3 0.380 115.7-119.5 -87.8 2.9 34.1 29.4 24.5 518 243 B X T < 5S+ 0 0 57 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.840 80.4 121.7 63.5 34.8 33.2 27.2 21.5 519 244 B L S -O 527 0E 90 4,-2.7 4,-1.1 -2,-0.3 3,-0.2 -0.945 56.3 -60.7-113.3 104.7 37.3 15.2 18.0 524 249 B G T 4 S- 0 0 81 -2,-0.6 4,-0.1 1,-0.2 2,-0.0 0.117 93.4 -34.6 -42.8 132.1 37.4 11.9 19.9 525 250 B E T 4 S+ 0 0 98 2,-0.1 -1,-0.2 1,-0.0 -24,-0.0 -0.961 127.4 24.6-131.9 -3.5 39.3 11.4 21.9 526 251 B D T 4 S+ 0 0 54 -3,-0.2 -25,-1.5 -26,-0.1 -2,-0.2 0.871 104.4 87.5 -74.8 -39.4 42.9 12.6 21.8 527 252 B A E < -NO 500 523E 17 -4,-1.1 -4,-2.7 -27,-0.3 2,-0.4 -0.225 47.7-172.8 -94.7 150.3 42.1 15.5 19.6 528 253 B Y E -NO 499 522E 26 -29,-3.3 -29,-3.0 -6,-0.3 2,-0.4 -0.999 19.2-157.7-124.2 131.1 40.9 19.1 19.7 529 254 B R E -NO 498 521E 60 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.4 -0.929 16.6-127.0-115.1 131.0 40.1 20.8 16.4 530 255 B L E - O 0 520E 0 -33,-2.9 -10,-0.2 -2,-0.4 5,-0.1 -0.599 38.3-109.3 -73.3 127.8 40.1 24.6 15.9 531 256 B K > - 0 0 26 -12,-2.2 4,-1.9 -2,-0.4 3,-0.4 -0.230 20.9-119.1 -60.5 146.7 36.7 25.6 14.4 532 257 B D H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.884 113.2 51.3 -52.2 -44.8 36.7 26.8 10.7 533 258 B W H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.852 107.8 53.2 -66.7 -30.6 35.4 30.3 11.5 534 259 B V H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.846 105.0 54.7 -72.4 -32.8 38.2 30.7 14.1 535 260 B R H X S+ 0 0 57 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.910 108.8 48.6 -61.4 -44.3 40.8 29.8 11.5 536 261 B K H >< S+ 0 0 54 -4,-1.8 3,-0.7 1,-0.2 4,-0.5 0.900 108.5 54.1 -60.7 -41.5 39.4 32.5 9.3 537 262 B L H >< S+ 0 0 2 -4,-2.0 3,-1.8 1,-0.3 4,-0.4 0.912 102.6 56.9 -59.9 -42.7 39.5 34.9 12.3 538 263 B L H >X S+ 0 0 2 -4,-2.2 3,-1.5 1,-0.3 4,-0.9 0.794 91.3 73.2 -58.0 -28.3 43.2 34.1 12.7 539 264 B G T << S+ 0 0 29 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.758 85.9 65.1 -58.8 -26.5 43.7 35.2 9.1 540 265 B I T <4 S+ 0 0 23 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.834 110.6 35.3 -61.3 -33.1 43.2 38.8 10.4 541 266 B Y T <4 0 0 62 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.481 360.0 360.0-106.3 -4.9 46.4 38.5 12.4 542 267 B L < 0 0 133 -4,-0.9 -1,-0.2 -3,-0.2 -4,-0.0 -0.676 360.0 360.0-106.6 360.0 48.6 36.3 10.2