==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA 10-NOV-05 2EZ6 . COMPND 2 MOLECULE: 28-MER; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.GAN,J.E.TROPEA,B.P.AUSTIN,D.L.COURT,D.S.WAUGH,X.JI . 436 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 7.8 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 49.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 5 1 0 2 2 0 0 0 0 2 2 0 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 4 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 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 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 3 A M >> 0 0 114 0, 0.0 4,-1.1 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 -47.4 4.7 31.8 -35.4 2 4 A L H 3> + 0 0 45 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.868 360.0 63.3 -58.7 -36.9 4.9 28.1 -34.6 3 5 A E H 3> S+ 0 0 154 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.816 98.1 56.8 -57.7 -31.3 7.7 29.0 -32.1 4 6 A Q H <> S+ 0 0 91 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.889 107.9 45.3 -68.4 -39.0 5.1 31.1 -30.2 5 7 A L H X S+ 0 0 0 -4,-1.1 4,-2.8 -3,-0.4 5,-0.2 0.870 109.7 55.1 -72.6 -34.8 2.8 28.1 -29.8 6 8 A E H X>S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 5,-2.0 0.886 106.5 52.1 -64.6 -36.6 5.7 25.9 -28.8 7 9 A K H <5S+ 0 0 184 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.915 111.2 46.0 -66.2 -40.9 6.5 28.4 -26.1 8 10 A K H <5S+ 0 0 59 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 116.8 44.8 -66.3 -42.0 2.9 28.3 -24.8 9 11 A L H <5S- 0 0 2 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.854 105.9-132.6 -68.4 -34.8 2.9 24.5 -25.0 10 12 A G T <5S+ 0 0 51 -4,-2.8 2,-0.3 -5,-0.2 -3,-0.2 0.799 71.8 100.0 83.3 31.8 6.3 24.4 -23.3 11 13 A Y < - 0 0 33 -5,-2.0 2,-0.5 -6,-0.1 -1,-0.2 -0.942 61.1-144.7-154.7 130.9 7.6 21.9 -25.9 12 14 A T - 0 0 103 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.0 -0.824 24.1-132.0 -99.3 124.5 9.7 22.2 -29.1 13 15 A F - 0 0 5 -2,-0.5 3,-0.2 1,-0.1 101,-0.1 -0.420 12.7-161.3 -76.1 146.7 8.9 19.9 -32.0 14 16 A K S S+ 0 0 190 1,-0.3 2,-0.8 -2,-0.1 -1,-0.1 0.833 93.0 43.4 -88.7 -42.3 11.5 17.9 -33.9 15 17 A D >> - 0 0 73 1,-0.2 4,-1.1 2,-0.0 3,-1.1 -0.857 68.9-175.8-108.1 97.3 9.1 17.4 -36.8 16 18 A K H 3> S+ 0 0 78 -2,-0.8 4,-2.8 1,-0.3 5,-0.2 0.792 80.7 64.9 -62.5 -32.3 7.4 20.7 -37.5 17 19 A S H 3> S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.805 99.8 55.5 -62.4 -27.0 5.2 19.3 -40.2 18 20 A L H <> S+ 0 0 17 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.935 108.2 45.0 -70.4 -47.2 3.6 17.2 -37.4 19 21 A L H X S+ 0 0 0 -4,-1.1 4,-1.0 1,-0.2 -2,-0.2 0.922 114.9 50.8 -61.0 -41.6 2.8 20.3 -35.4 20 22 A E H >X S+ 0 0 66 -4,-2.8 3,-1.0 1,-0.2 4,-0.7 0.932 105.4 54.6 -60.8 -48.1 1.5 21.9 -38.6 21 23 A K H >< S+ 0 0 61 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.881 104.2 55.1 -55.7 -39.0 -0.7 18.9 -39.4 22 24 A A H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.3 88,-0.2 0.807 110.9 45.8 -63.9 -28.7 -2.4 19.1 -36.0 23 25 A L H << S+ 0 0 3 -4,-1.0 69,-2.8 -3,-1.0 2,-0.6 0.491 96.5 97.2 -90.9 -5.7 -3.2 22.8 -36.8 24 26 A T B << -a 92 0A 0 -3,-1.0 10,-2.6 -4,-0.7 11,-0.2 -0.785 58.6-153.9-100.7 120.3 -4.5 22.1 -40.3 25 27 A H >> - 0 0 38 67,-2.6 3,-1.6 -2,-0.6 4,-1.5 -0.522 31.8-112.7 -82.2 150.3 -8.1 21.6 -41.2 26 28 A V T 34 S+ 0 0 64 1,-0.3 -1,-0.1 2,-0.2 6,-0.1 0.755 113.5 66.8 -55.9 -26.4 -8.9 19.5 -44.3 27 29 A S T 34 S+ 0 0 32 1,-0.2 -1,-0.3 65,-0.1 3,-0.2 0.817 106.7 40.4 -65.5 -30.9 -10.3 22.6 -46.1 28 30 A Y T <4 S+ 0 0 95 -3,-1.6 2,-0.3 64,-0.3 -1,-0.2 0.791 132.6 17.7 -86.7 -33.2 -6.7 24.0 -46.2 29 31 A S < - 0 0 24 -4,-1.5 -1,-0.3 63,-0.2 -2,-0.1 -0.878 57.2-168.1-146.3 109.4 -4.9 20.8 -47.0 30 32 A K S S+ 0 0 178 -2,-0.3 3,-0.2 -3,-0.2 -1,-0.1 0.759 92.1 38.3 -68.0 -24.2 -6.6 17.7 -48.4 31 33 A K S S+ 0 0 141 1,-0.2 2,-0.6 -5,-0.0 -1,-0.2 0.836 119.3 37.8 -98.4 -36.1 -3.6 15.5 -47.8 32 34 A E S S+ 0 0 87 -7,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.770 78.4 132.1-120.4 88.5 -2.1 16.6 -44.4 33 35 A H - 0 0 39 -2,-0.6 3,-0.4 -3,-0.2 4,-0.3 -0.806 63.3-101.9-130.0 173.2 -4.8 17.6 -41.9 34 36 A Y S > S+ 0 0 13 -10,-2.6 4,-2.5 -2,-0.3 5,-0.2 0.334 82.3 105.8 -80.2 6.8 -5.6 16.8 -38.2 35 37 A E H > S+ 0 0 53 1,-0.2 4,-1.5 -11,-0.2 -1,-0.2 0.925 86.5 38.3 -54.2 -52.4 -8.4 14.2 -38.5 36 38 A T H > S+ 0 0 37 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.881 114.9 53.0 -68.5 -38.9 -6.3 11.1 -37.6 37 39 A L H > S+ 0 0 8 -4,-0.3 4,-3.5 1,-0.2 5,-0.2 0.900 106.4 55.2 -62.0 -38.9 -4.3 12.9 -34.9 38 40 A E H X S+ 0 0 35 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.902 103.3 55.1 -61.0 -41.8 -7.7 14.0 -33.4 39 41 A F H X S+ 0 0 38 -4,-1.5 4,-1.3 -5,-0.2 -1,-0.2 0.967 115.3 38.5 -54.0 -54.6 -8.8 10.4 -33.2 40 42 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.890 112.8 56.0 -65.0 -42.8 -5.6 9.5 -31.2 41 43 A G H X S+ 0 0 0 -4,-3.5 4,-3.3 1,-0.2 5,-0.4 0.888 102.7 56.2 -59.0 -39.6 -5.6 12.7 -29.1 42 44 A N H X S+ 0 0 59 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.930 110.9 44.1 -58.8 -44.7 -9.1 12.1 -27.9 43 45 A A H X S+ 0 0 3 -4,-1.3 4,-1.6 -5,-0.2 -2,-0.2 0.921 115.7 47.7 -66.1 -43.8 -8.0 8.7 -26.6 44 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.956 115.4 42.6 -63.0 -51.9 -4.8 10.1 -25.1 45 47 A V H X S+ 0 0 0 -4,-3.3 4,-3.2 1,-0.2 5,-0.3 0.875 108.3 60.3 -64.0 -38.1 -6.5 13.1 -23.3 46 48 A N H X S+ 0 0 13 -4,-2.1 4,-2.7 -5,-0.4 -1,-0.2 0.907 107.7 46.8 -54.5 -42.3 -9.4 10.9 -22.2 47 49 A F H X S+ 0 0 0 -4,-1.6 4,-2.3 215,-0.2 -2,-0.2 0.912 110.6 50.8 -67.6 -43.2 -6.8 8.9 -20.3 48 50 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.967 114.6 44.5 -58.4 -50.7 -5.1 12.0 -18.9 49 51 A I H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.936 112.9 49.9 -58.6 -51.5 -8.5 13.3 -17.6 50 52 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.875 107.3 54.2 -57.4 -40.6 -9.7 9.9 -16.2 51 53 A D H X S+ 0 0 1 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.917 112.3 43.7 -62.4 -42.4 -6.5 9.3 -14.3 52 54 A L H X S+ 0 0 2 -4,-1.7 4,-2.5 -5,-0.2 3,-0.4 0.912 112.5 54.9 -67.2 -41.9 -6.8 12.7 -12.6 53 55 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.887 106.0 48.8 -62.0 -41.7 -10.5 12.0 -12.0 54 56 A V H < S+ 0 0 13 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.740 116.4 44.9 -72.5 -20.1 -10.1 8.7 -10.2 55 57 A Q H < S+ 0 0 73 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.842 125.5 25.6 -90.5 -34.5 -7.5 10.2 -8.0 56 58 A Y H < S+ 0 0 102 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.501 82.6 123.2-111.0 -4.6 -9.1 13.5 -7.0 57 59 A S < - 0 0 9 -4,-1.9 85,-0.1 -5,-0.3 3,-0.0 -0.318 54.4-143.5 -63.5 139.2 -12.9 13.0 -7.4 58 60 A P S S+ 0 0 94 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.877 92.5 37.3 -66.1 -36.6 -15.0 13.8 -4.2 59 61 A N - 0 0 42 2,-0.1 -3,-0.0 1,-0.1 -2,-0.0 -0.947 61.7-168.1-119.3 134.4 -17.3 10.9 -5.2 60 62 A K + 0 0 86 -2,-0.4 -1,-0.1 4,-0.1 2,-0.1 0.345 47.4 126.0-103.2 5.1 -16.1 7.6 -6.7 61 63 A R >> - 0 0 185 1,-0.1 4,-3.0 2,-0.1 3,-1.6 -0.369 66.4-128.4 -66.2 141.7 -19.6 6.4 -7.6 62 64 A E H 3> S+ 0 0 109 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.872 109.5 57.8 -55.6 -42.0 -20.2 5.4 -11.3 63 65 A G H 34 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.595 115.2 36.7 -66.7 -13.0 -23.2 7.7 -11.5 64 66 A F H <> S+ 0 0 28 -3,-1.6 4,-2.0 2,-0.1 -2,-0.2 0.813 116.6 48.5-102.1 -52.0 -21.1 10.6 -10.5 65 67 A L H X S+ 0 0 4 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.869 109.3 54.2 -57.1 -43.2 -17.8 9.9 -12.3 66 68 A S H X S+ 0 0 66 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.962 110.5 41.5 -60.8 -57.7 -19.5 9.1 -15.6 67 69 A P H > S+ 0 0 49 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.944 118.3 48.9 -56.7 -44.9 -21.5 12.4 -16.1 68 70 A L H X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.868 108.8 51.5 -62.5 -38.4 -18.5 14.4 -14.8 69 71 A K H X S+ 0 0 44 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.916 105.1 58.0 -65.2 -41.1 -16.0 12.7 -17.1 70 72 A A H >< S+ 0 0 56 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.901 109.4 43.6 -53.4 -46.8 -18.3 13.4 -20.0 71 73 A Y H >< S+ 0 0 85 -4,-1.7 3,-1.5 1,-0.2 6,-0.5 0.894 108.2 59.6 -68.9 -37.8 -18.1 17.1 -19.3 72 74 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.657 113.6 36.1 -67.2 -15.5 -14.4 17.0 -18.7 73 75 A I T << S+ 0 0 41 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.147 94.9 121.9-118.6 16.5 -13.7 15.7 -22.2 74 76 A S S <> S- 0 0 31 -3,-1.5 4,-2.3 -5,-0.1 5,-0.2 -0.408 75.9-116.1 -80.3 157.6 -16.4 17.8 -23.8 75 77 A E H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 116.2 58.6 -54.5 -44.4 -15.8 20.3 -26.6 76 78 A E H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.927 109.0 42.4 -51.7 -52.8 -17.0 23.0 -24.2 77 79 A F H > S+ 0 0 8 -6,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.875 111.4 54.2 -66.1 -39.6 -14.3 22.2 -21.6 78 80 A F H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.873 105.9 52.9 -64.0 -36.4 -11.5 21.7 -24.2 79 81 A N H X S+ 0 0 15 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.909 108.5 52.7 -64.7 -36.2 -12.3 25.2 -25.5 80 82 A L H >X S+ 0 0 85 -4,-1.5 3,-0.6 -5,-0.2 4,-0.5 0.960 114.0 40.1 -61.3 -51.1 -12.0 26.4 -22.0 81 83 A L H 3< S+ 0 0 4 -4,-2.5 4,-0.3 1,-0.2 3,-0.3 0.824 112.7 56.9 -67.4 -32.8 -8.5 24.8 -21.6 82 84 A A H >X>S+ 0 0 3 -4,-2.7 3,-1.2 -5,-0.2 4,-0.9 0.692 84.5 82.0 -73.7 -19.6 -7.5 25.8 -25.1 83 85 A Q H X<5S+ 0 0 127 -4,-1.2 3,-2.3 -3,-0.6 -1,-0.2 0.947 87.1 56.2 -48.2 -57.7 -8.1 29.5 -24.5 84 86 A K T 3<5S+ 0 0 105 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.774 106.0 53.3 -44.6 -33.0 -4.7 29.9 -22.8 85 87 A L T <45S- 0 0 0 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.682 93.4-144.7 -81.6 -18.4 -3.2 28.5 -26.0 86 88 A E T X<5 + 0 0 71 -3,-2.3 3,-1.7 -4,-0.9 4,-0.2 0.905 32.5 168.3 54.2 43.3 -4.8 31.0 -28.4 87 89 A L G >>< + 0 0 3 -5,-0.7 4,-2.2 1,-0.3 3,-2.2 0.754 62.5 77.1 -59.0 -25.0 -5.1 28.2 -31.0 88 90 A H G 34 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.2 10,-0.1 0.841 93.8 50.4 -55.5 -33.1 -7.4 30.5 -33.0 89 91 A K G <4 S+ 0 0 81 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.487 116.2 40.7 -85.6 -0.3 -4.4 32.4 -34.1 90 92 A F T <4 S+ 0 0 14 -3,-2.2 -2,-0.2 -4,-0.2 -1,-0.2 0.609 86.3 105.6-117.7 -21.9 -2.5 29.2 -35.2 91 93 A I < - 0 0 15 -4,-2.2 2,-0.5 -67,-0.1 -67,-0.2 -0.412 58.5-145.0 -68.0 134.9 -5.2 27.1 -36.9 92 94 A R B +a 24 0A 79 -69,-2.8 -67,-2.6 -72,-0.2 -64,-0.3 -0.893 35.2 142.6-104.7 122.6 -5.1 26.9 -40.7 93 95 A I - 0 0 35 -2,-0.5 3,-0.1 -69,-0.2 5,-0.1 -0.992 29.5-175.7-156.1 157.1 -8.4 26.7 -42.6 94 96 A K S S+ 0 0 110 -2,-0.3 2,-1.8 1,-0.2 -1,-0.1 0.696 73.2 60.8-115.9 -70.1 -10.2 27.8 -45.7 95 97 A R S S- 0 0 196 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.458 113.7 -19.1 -69.6 82.3 -13.9 26.8 -45.9 96 98 A G S S- 0 0 47 -2,-1.8 2,-0.3 -3,-0.1 -3,-0.1 -0.841 83.9 -60.8 125.8-162.5 -15.3 28.6 -42.8 97 99 A K - 0 0 179 -2,-0.3 2,-1.3 0, 0.0 5,-0.1 -0.939 53.1 -92.2-130.0 152.5 -14.3 30.1 -39.5 98 100 A I + 0 0 49 -2,-0.3 2,-0.1 -10,-0.1 -2,-0.0 -0.468 57.1 173.7 -66.6 92.7 -12.6 28.7 -36.5 99 101 A N > - 0 0 86 -2,-1.3 4,-2.5 1,-0.1 3,-0.5 -0.309 48.9 -90.0 -94.0-179.1 -15.5 27.6 -34.3 100 102 A E H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.772 125.3 56.4 -63.4 -25.8 -15.6 25.7 -31.0 101 103 A T H > S+ 0 0 66 2,-0.2 4,-1.4 3,-0.2 -1,-0.2 0.851 110.1 45.8 -73.8 -33.3 -15.8 22.3 -32.8 102 104 A I H > S+ 0 0 13 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.962 113.0 48.6 -71.2 -52.4 -12.6 23.1 -34.7 103 105 A I H X S+ 0 0 28 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.909 111.4 50.7 -53.1 -47.3 -10.8 24.4 -31.6 104 106 A G H X S+ 0 0 2 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.871 112.3 46.2 -61.3 -38.0 -11.8 21.3 -29.7 105 107 A D H X S+ 0 0 33 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.856 112.8 48.9 -73.9 -35.3 -10.5 19.0 -32.4 106 108 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.851 106.7 57.3 -71.7 -35.1 -7.3 20.8 -32.8 107 109 A F H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.966 111.3 42.8 -58.2 -50.9 -6.7 20.7 -29.1 108 110 A E H X S+ 0 0 12 -4,-1.7 4,-1.6 1,-0.2 3,-0.3 0.946 114.4 49.6 -59.4 -50.4 -7.0 16.9 -29.2 109 111 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.853 105.6 58.8 -57.5 -38.5 -4.8 16.6 -32.3 110 112 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.896 106.0 46.9 -59.1 -45.3 -2.2 18.8 -30.8 111 113 A W H X S+ 0 0 0 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109.1 53.6 -60.2 -41.8 2.4 -0.6 -18.9 345 128 B R H X S+ 0 0 26 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.921 111.2 46.5 -59.4 -44.4 1.7 0.0 -22.6 346 129 B E H X S+ 0 0 90 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.915 110.6 50.7 -65.7 -43.5 4.8 -2.1 -23.5 347 130 B L H X S+ 0 0 16 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.940 112.2 49.5 -57.5 -45.2 3.8 -4.9 -21.2 348 131 B F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.877 113.2 45.6 -61.0 -41.0 0.4 -4.8 -22.8 349 132 B Y H X S+ 0 0 19 -4,-2.3 4,-2.3 2,-0.2 5,-0.5 0.875 105.7 59.3 -71.2 -37.0 1.9 -4.9 -26.3 350 133 B K H < S+ 0 0 187 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 117.3 34.8 -61.1 -29.1 4.3 -7.7 -25.3 351 134 B L H < S+ 0 0 21 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.837 138.7 9.4 -92.7 -38.7 1.2 -9.7 -24.5 352 135 B F H X S+ 0 0 1 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.460 89.2 102.3-126.5 0.2 -1.3 -8.6 -27.1 353 136 B K H X S+ 0 0 70 -4,-2.3 4,-3.2 -5,-0.3 3,-0.3 0.941 90.5 44.8 -50.6 -55.5 0.2 -6.4 -29.8 354 137 B E H > S+ 0 0 157 -5,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.889 111.6 53.3 -56.5 -42.4 0.4 -9.2 -32.4 355 138 B D H > S+ 0 0 62 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.864 113.5 43.7 -63.6 -34.2 -3.2 -10.3 -31.6 356 139 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 -3,-0.3 -2,-0.2 0.941 112.9 49.0 -76.0 -48.6 -4.4 -6.8 -32.1 357 140 B L H X S+ 0 0 42 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.868 110.2 55.6 -58.2 -34.3 -2.5 -6.1 -35.3 358 141 B S H X S+ 0 0 60 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.967 110.1 42.6 -61.7 -52.2 -3.8 -9.4 -36.5 359 142 B A H < S+ 0 0 10 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.805 112.6 54.6 -64.7 -30.9 -7.4 -8.4 -35.9 360 143 B I H >< S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.876 106.7 50.9 -70.3 -38.0 -6.7 -4.9 -37.4 361 144 B K H 3< S+ 0 0 182 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.901 115.9 40.9 -65.3 -41.9 -5.4 -6.5 -40.6 362 145 B E T 3< S+ 0 0 141 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.081 90.4 143.9 -93.2 23.4 -8.4 -8.7 -41.0 363 146 B G < + 0 0 19 -3,-1.2 2,-0.3 -5,-0.1 -3,-0.1 -0.407 22.0 173.5 -67.9 137.0 -10.6 -5.8 -39.9 364 147 B R - 0 0 178 -2,-0.1 2,-0.3 -81,-0.1 -2,-0.0 -0.875 24.5-143.1-150.6 112.2 -14.0 -5.5 -41.6 365 148 B V - 0 0 53 -2,-0.3 2,-0.4 1,-0.0 -81,-0.0 -0.553 22.2-169.2 -73.1 133.6 -16.8 -3.1 -40.8 366 149 B K - 0 0 153 -2,-0.3 2,-0.1 -80,-0.0 -2,-0.0 -0.977 12.1-138.8-131.8 122.8 -20.2 -4.7 -41.2 367 150 B K - 0 0 115 -2,-0.4 2,-0.2 1,-0.1 0, 0.0 -0.435 18.4-121.5 -77.8 150.3 -23.5 -2.8 -41.1 368 151 B D > - 0 0 66 -2,-0.1 4,-2.6 1,-0.1 3,-0.4 -0.530 28.4-108.6 -85.8 158.7 -26.6 -4.1 -39.4 369 152 B Y H > S+ 0 0 96 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.866 115.9 56.5 -55.8 -45.1 -29.8 -4.7 -41.3 370 153 B K H > S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.897 112.6 43.9 -57.3 -38.6 -31.7 -1.7 -39.9 371 154 B T H > S+ 0 0 41 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.949 114.3 48.7 -69.8 -49.2 -28.9 0.5 -41.1 372 155 B I H X S+ 0 0 54 -4,-2.6 4,-1.5 1,-0.2 3,-0.3 0.921 110.3 52.8 -55.8 -47.3 -28.6 -1.2 -44.5 373 156 B L H X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.2 3,-0.5 0.931 108.1 47.5 -57.5 -51.2 -32.4 -1.0 -45.0 374 157 B Q H X S+ 0 0 74 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.777 109.8 54.1 -65.1 -24.4 -32.8 2.7 -44.4 375 158 B E H X S+ 0 0 79 -4,-1.5 4,-0.7 -3,-0.3 -1,-0.2 0.806 110.5 47.3 -78.1 -27.4 -29.9 3.5 -46.7 376 159 B I H >X S+ 0 0 60 -4,-1.5 4,-2.8 -3,-0.5 3,-0.6 0.965 116.5 42.4 -72.9 -54.3 -31.6 1.5 -49.5 377 160 B T H 3X>S+ 0 0 0 -4,-2.7 6,-1.7 1,-0.3 4,-1.6 0.764 112.9 52.8 -64.8 -28.3 -34.9 3.1 -48.9 378 161 B Q H 3<5S+ 0 0 80 -4,-1.7 -1,-0.3 4,-0.3 -2,-0.2 0.735 113.1 45.9 -79.5 -20.2 -33.4 6.6 -48.6 379 162 B K H <<5S+ 0 0 179 -4,-0.7 -2,-0.2 -3,-0.6 -3,-0.1 0.903 121.4 35.0 -84.4 -46.2 -31.6 6.0 -51.9 380 163 B R H <5S+ 0 0 120 -4,-2.8 -3,-0.2 1,-0.1 -2,-0.2 0.967 142.9 4.8 -74.3 -56.9 -34.6 4.7 -53.8 381 164 B W T <5S- 0 0 61 -4,-1.6 -3,-0.2 2,-0.2 -1,-0.1 0.363 90.9-122.9-112.2 4.0 -37.5 6.7 -52.4 382 165 B K S - 0 0 70 0, 0.0 3,-1.8 0, 0.0 -2,-0.0 -0.330 60.7-105.0 -70.9 159.8 -43.3 -13.6 -19.0 396 179 B H G > S+ 0 0 159 1,-0.3 3,-0.5 2,-0.1 -3,-0.0 0.832 120.5 53.4 -55.9 -37.0 -41.7 -10.2 -18.2 397 180 B H G 3 S+ 0 0 174 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.500 123.6 27.1 -79.2 -3.9 -38.2 -11.8 -17.7 398 181 B K G < S+ 0 0 167 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.1 -0.437 81.5 174.5-157.4 75.6 -38.4 -13.4 -21.1 399 182 B K < - 0 0 63 -3,-0.5 2,-0.5 18,-0.3 -5,-0.2 -0.397 22.3-142.7 -82.5 159.6 -40.6 -11.5 -23.5 400 183 B K E -E 393 0D 97 -7,-2.9 -7,-2.5 -2,-0.1 2,-0.4 -0.992 16.8-159.0-126.3 120.6 -41.2 -12.3 -27.2 401 184 B F E -EF 392 416D 27 15,-3.1 15,-1.7 -2,-0.5 2,-0.5 -0.859 8.9-168.4-106.8 134.4 -41.5 -9.3 -29.6 402 185 B I E +EF 391 415D 41 -11,-2.1 -12,-3.1 -2,-0.4 -11,-1.9 -0.974 16.2 178.5-121.1 117.7 -43.1 -9.4 -33.0 403 186 B V E -EF 389 414D 2 11,-3.3 11,-1.6 -2,-0.5 2,-0.4 -0.837 20.5-138.8-119.7 156.5 -42.6 -6.3 -35.1 404 187 B E E -EF 388 413D 33 -16,-3.7 -16,-3.5 -2,-0.3 2,-0.5 -0.955 8.9-157.0-117.4 131.7 -43.6 -5.2 -38.6 405 188 B A E -EF 387 412D 0 7,-2.3 7,-2.6 -2,-0.4 2,-0.4 -0.901 18.3-179.2-106.0 133.4 -41.3 -3.4 -41.0 406 189 B K E +EF 386 411D 58 -20,-2.0 -20,-3.4 -2,-0.5 2,-0.4 -0.993 16.9 171.0-141.5 135.3 -43.0 -1.3 -43.8 407 190 B I E > S- F 0 410D 6 3,-2.1 3,-3.1 -2,-0.4 2,-0.6 -0.987 73.3 -36.5-140.4 126.8 -41.8 0.8 -46.7 408 191 B K T 3 S- 0 0 97 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.464 129.0 -29.3 60.0-107.4 -44.2 2.1 -49.4 409 192 B E T 3 S+ 0 0 141 -2,-0.6 2,-0.3 -3,-0.0 -1,-0.3 0.303 115.7 107.0-119.5 4.6 -46.5 -0.9 -49.6 410 193 B Y E < +F 407 0D 71 -3,-3.1 -3,-2.1 20,-0.0 2,-0.3 -0.648 43.6 175.3 -86.5 142.0 -44.0 -3.5 -48.6 411 194 B R E +F 406 0D 117 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.974 7.1 176.2-150.8 132.1 -44.2 -5.1 -45.2 412 195 B T E -F 405 0D 15 -7,-2.6 -7,-2.3 -2,-0.3 2,-0.3 -0.818 20.4-129.1-128.8 169.8 -42.4 -7.9 -43.4 413 196 B L E +F 404 0D 101 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.782 21.1 177.8-118.4 164.3 -42.4 -9.4 -39.9 414 197 B G E -F 403 0D 10 -11,-1.6 -11,-3.3 -2,-0.3 2,-0.3 -0.952 7.5-163.9-164.4 143.3 -39.8 -10.1 -37.4 415 198 B E E +F 402 0D 90 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.935 20.1 139.0-132.3 157.1 -39.5 -11.5 -33.9 416 199 B G E -F 401 0D 10 -15,-1.7 -15,-3.1 -2,-0.3 -2,-0.0 -0.963 62.5 -83.8-173.7-178.5 -36.9 -11.5 -31.1 417 200 B K S S+ 0 0 157 -2,-0.3 2,-0.3 -17,-0.2 -18,-0.3 0.483 111.7 32.3 -83.0 -3.5 -36.2 -11.2 -27.4 418 201 B S S > S- 0 0 44 -17,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.959 86.9-109.8-146.4 161.0 -36.1 -7.4 -27.8 419 202 B K H > S+ 0 0 115 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.958 119.7 48.0 -56.4 -52.4 -37.7 -4.7 -29.9 420 203 B K H > S+ 0 0 140 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.917 110.1 50.4 -56.3 -49.0 -34.5 -4.1 -31.7 421 204 B E H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 113.6 47.0 -55.6 -45.7 -33.7 -7.7 -32.3 422 205 B A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.911 113.3 47.5 -61.6 -43.5 -37.3 -8.1 -33.7 423 206 B E H X S+ 0 0 32 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.846 109.3 54.5 -66.9 -35.2 -36.9 -5.0 -35.9 424 207 B Q H X S+ 0 0 43 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.901 111.1 45.1 -64.4 -42.2 -33.5 -6.2 -37.1 425 208 B R H X S+ 0 0 107 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.958 113.5 50.0 -64.5 -50.5 -35.1 -9.5 -38.2 426 209 B A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-0.5 0.921 111.9 48.1 -52.9 -48.0 -38.0 -7.6 -39.8 427 210 B A H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.879 105.3 57.8 -61.9 -40.2 -35.5 -5.3 -41.7 428 211 B E H X S+ 0 0 56 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.819 110.4 46.1 -60.3 -30.2 -33.5 -8.3 -42.8 429 212 B E H X S+ 0 0 78 -4,-1.5 4,-3.6 -3,-0.5 -2,-0.2 0.914 107.1 54.2 -77.5 -46.9 -36.7 -9.6 -44.5 430 213 B L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.767 108.2 53.0 -60.7 -24.5 -37.8 -6.3 -46.1 431 214 B I H X S+ 0 0 15 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.954 112.4 42.0 -74.2 -51.6 -34.3 -6.2 -47.7 432 215 B K H X S+ 0 0 100 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.920 113.9 54.9 -59.4 -43.0 -34.7 -9.6 -49.2 433 216 B L H < S+ 0 0 57 -4,-3.6 3,-0.4 1,-0.2 4,-0.4 0.927 108.9 47.1 -55.7 -47.1 -38.3 -8.8 -50.0 434 217 B L H >< S+ 0 0 12 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.802 102.6 63.9 -66.6 -29.8 -37.1 -5.7 -51.9 435 218 B E H 3< S+ 0 0 129 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.876 99.4 52.2 -60.8 -43.5 -34.4 -7.7 -53.8 436 219 B E T 3< 0 0 169 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.656 360.0 360.0 -64.7 -14.0 -37.1 -9.8 -55.5 437 220 B S < 0 0 101 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.964 360.0 360.0 66.4 360.0 -38.5 -6.3 -56.4