==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 08-AUG-08 3E40 . COMPND 2 MOLECULE: TYPE-2 RESTRICTION ENZYME HINDII; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR N.C.HORTON,A.C.BABIC,E.J.LITTLE,V.M.MANOHAR . 488 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 15.0 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 . 6 1.2 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 . 31 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 3 2 2 1 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 7 0 2 0 0 0 0 2 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 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 S 0 0 45 0, 0.0 113,-0.0 0, 0.0 178,-0.0 0.000 360.0 360.0 360.0 137.4 20.2 -95.5 79.3 2 3 A F + 0 0 42 2,-0.1 4,-0.3 1,-0.1 106,-0.0 0.707 360.0 51.5 -83.2 -24.6 21.4 -91.9 79.2 3 4 A I S > S+ 0 0 2 1,-0.2 3,-2.0 2,-0.1 4,-0.3 0.877 93.1 73.8 -77.2 -40.3 18.9 -91.1 76.5 4 5 A K G > S+ 0 0 111 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.790 88.1 58.4 -47.5 -43.2 15.8 -92.5 78.3 5 6 A P G 3 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.806 118.3 32.9 -64.5 -23.3 15.5 -89.6 80.9 6 7 A I G <> S+ 0 0 32 -3,-2.0 4,-2.6 -4,-0.3 -2,-0.2 0.200 86.5 107.5-111.9 17.3 15.1 -87.1 78.0 7 8 A Y H <> S+ 0 0 33 -3,-1.3 4,-3.6 -4,-0.3 5,-0.2 0.897 74.3 58.4 -63.2 -41.7 13.3 -89.4 75.5 8 9 A Q H > S+ 0 0 132 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.931 110.9 43.8 -49.6 -48.5 10.0 -87.6 76.0 9 10 A D H > S+ 0 0 91 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.965 113.2 50.3 -62.1 -54.7 11.7 -84.4 74.9 10 11 A I H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.911 109.7 51.7 -48.6 -48.7 13.5 -86.1 72.0 11 12 A N H X S+ 0 0 34 -4,-3.6 4,-1.7 1,-0.2 -1,-0.2 0.933 113.3 44.3 -56.8 -47.6 10.2 -87.6 70.8 12 13 A S H < S+ 0 0 77 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.934 114.2 48.2 -64.5 -46.1 8.5 -84.2 70.8 13 14 A I H < S+ 0 0 80 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.842 112.1 49.4 -65.3 -32.1 11.4 -82.4 69.2 14 15 A L H >< S+ 0 0 5 -4,-2.3 3,-1.7 -5,-0.3 158,-0.4 0.842 89.4 87.9 -79.5 -34.6 11.8 -85.0 66.4 15 16 A I T 3< S+ 0 0 70 -4,-1.7 158,-0.2 1,-0.3 3,-0.1 -0.526 98.6 22.4 -67.6 123.4 8.1 -85.1 65.4 16 17 A G T 3 S+ 0 0 47 156,-2.0 -1,-0.3 1,-0.4 -2,-0.1 0.032 91.8 130.7 101.9 -25.1 7.6 -82.4 62.8 17 18 A Q < - 0 0 70 -3,-1.7 155,-2.3 -4,-0.2 -1,-0.4 -0.282 43.0-155.4 -56.3 147.6 11.3 -82.3 61.9 18 19 A K E -A 171 0A 77 153,-0.2 2,-0.4 -3,-0.1 153,-0.2 -0.906 17.1-165.2-127.8 153.4 11.8 -82.5 58.1 19 20 A V E -A 170 0A 20 151,-2.1 151,-2.8 -2,-0.3 8,-0.1 -0.993 35.3-106.0-133.8 137.1 14.6 -83.6 55.7 20 21 A K E A 169 0A 85 -2,-0.4 149,-0.2 149,-0.2 148,-0.0 -0.272 360.0 360.0 -59.3 141.0 14.7 -82.7 52.0 21 22 A R 0 0 102 147,-1.7 148,-0.1 3,-0.0 -1,-0.1 0.877 360.0 360.0 -80.8 360.0 13.9 -85.6 49.7 22 ! 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 23 33 A A 0 0 108 0, 0.0 147,-0.1 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 -39.2 15.8 -92.6 52.3 24 34 A G > + 0 0 0 1,-0.2 3,-2.6 2,-0.1 4,-0.4 0.347 360.0 117.6 -85.1 6.1 15.0 -91.2 55.8 25 35 A E T > + 0 0 59 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.796 61.5 64.7 -43.3 -42.4 18.6 -92.0 56.7 26 36 A P T >> S+ 0 0 65 0, 0.0 3,-1.4 0, 0.0 4,-1.0 0.646 79.2 80.3 -63.7 -17.8 19.4 -88.3 57.4 27 37 A F H <> S+ 0 0 0 -3,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.783 83.1 67.5 -54.6 -27.1 17.0 -88.2 60.4 28 38 A E H <> S+ 0 0 38 -3,-1.8 4,-2.5 -4,-0.4 -1,-0.3 0.856 93.8 56.1 -61.1 -35.3 19.8 -89.9 62.2 29 39 A K H <> S+ 0 0 49 -3,-1.4 4,-2.7 -4,-0.3 -1,-0.2 0.879 107.1 49.0 -63.5 -38.7 21.8 -86.6 61.8 30 40 A L H X S+ 0 0 51 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.900 108.5 52.6 -68.0 -41.0 19.0 -84.7 63.6 31 41 A V H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.956 112.2 47.3 -55.8 -47.6 18.9 -87.3 66.4 32 42 A Y H X S+ 0 0 40 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.930 109.1 52.6 -61.4 -47.6 22.7 -86.7 66.7 33 43 A K H X S+ 0 0 28 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.914 110.5 48.2 -53.5 -45.2 22.3 -82.9 66.7 34 44 A F H X S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.956 113.2 46.9 -62.3 -49.1 19.7 -83.0 69.5 35 45 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.845 109.5 53.7 -61.4 -38.3 21.9 -85.3 71.6 36 46 A K H < S+ 0 0 107 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.852 112.7 45.7 -64.6 -33.0 24.9 -83.1 71.0 37 47 A E H < S+ 0 0 144 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.883 123.6 31.0 -77.1 -38.2 22.9 -80.1 72.3 38 48 A N H < S+ 0 0 87 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.621 135.8 24.3-100.7 -14.6 21.4 -81.7 75.3 39 49 A L S >X S+ 0 0 36 -4,-2.3 3,-1.5 -5,-0.3 4,-1.2 -0.329 74.3 157.1-141.4 51.2 24.1 -84.2 76.3 40 50 A S T 34 S+ 0 0 65 -3,-0.3 3,-0.3 1,-0.3 -2,-0.1 0.806 71.8 49.3 -53.9 -38.9 27.1 -82.6 74.8 41 51 A D T 34 S+ 0 0 149 1,-0.2 -1,-0.3 -3,-0.1 67,-0.1 0.725 115.9 42.1 -76.3 -20.2 29.7 -84.2 77.0 42 52 A L T <4 S+ 0 0 26 -3,-1.5 66,-2.1 -7,-0.2 2,-0.4 0.591 93.7 95.6 -98.6 -13.3 28.3 -87.8 76.5 43 53 A T E < +B 107 0A 4 -4,-1.2 2,-0.3 -3,-0.3 64,-0.2 -0.663 40.7 151.6-101.1 130.6 27.6 -87.9 72.8 44 54 A F E -B 106 0A 35 62,-2.4 62,-3.6 -2,-0.4 2,-0.2 -0.996 43.3-122.4-147.4 146.2 29.8 -89.2 70.0 45 55 A K E > -B 105 0A 28 -2,-0.3 4,-2.4 60,-0.2 60,-0.2 -0.518 45.8-111.3 -67.9 155.6 29.7 -90.7 66.5 46 56 A Q H > S+ 0 0 4 58,-0.6 4,-2.0 57,-0.3 5,-0.1 0.946 120.1 46.0 -60.5 -46.4 31.5 -94.0 66.8 47 57 A Y H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 48,-0.3 0.800 110.5 56.1 -64.6 -29.1 34.4 -92.8 64.6 48 58 A E H > S+ 0 0 48 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.896 105.5 49.9 -68.8 -43.2 34.4 -89.5 66.7 49 59 A Y H X S+ 0 0 32 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.929 112.4 47.8 -61.1 -45.6 34.9 -91.5 69.9 50 60 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.953 111.5 50.4 -59.1 -50.2 37.8 -93.4 68.3 51 61 A N H X S+ 0 0 12 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.941 112.2 47.4 -55.8 -49.2 39.4 -90.2 67.0 52 62 A D H X S+ 0 0 58 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.913 109.7 53.4 -56.7 -46.3 39.1 -88.6 70.5 53 63 A L H < S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.916 114.8 39.4 -56.5 -45.5 40.5 -91.6 72.3 54 64 A F H >< S+ 0 0 3 -4,-2.3 3,-1.2 1,-0.2 6,-0.2 0.852 110.5 58.9 -78.7 -31.2 43.6 -91.7 70.1 55 65 A M H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.837 104.5 52.2 -60.9 -37.2 44.0 -87.9 70.0 56 66 A K T 3< S+ 0 0 117 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.471 112.1 47.6 -74.8 -9.5 44.3 -87.9 73.8 57 67 A N X + 0 0 52 -3,-1.2 3,-2.1 -4,-0.2 -1,-0.2 -0.407 64.9 156.5-130.3 58.6 47.1 -90.5 73.6 58 68 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.772 73.1 57.5 -60.5 -29.1 49.4 -89.2 70.9 59 69 A A T 3 S+ 0 0 90 -3,-0.1 2,-0.8 1,-0.1 -2,-0.0 0.635 87.5 88.7 -76.0 -13.5 52.4 -91.1 72.2 60 70 A I < + 0 0 57 -3,-2.1 2,-0.3 -6,-0.2 -3,-0.1 -0.777 60.8 164.5 -92.4 110.1 50.5 -94.4 71.8 61 71 A I + 0 0 116 -2,-0.8 4,-0.4 5,-0.0 26,-0.1 -0.826 29.2 46.1-127.0 161.9 51.2 -95.6 68.2 62 72 A G S > S- 0 0 15 25,-0.4 4,-1.5 -2,-0.3 5,-0.1 0.079 87.9 -89.4 83.8 156.2 50.8 -98.8 66.2 63 73 A H H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 119.9 57.0 -71.5 -37.3 47.6 -100.9 66.4 64 74 A E H > S+ 0 0 143 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.942 112.1 39.6 -59.3 -50.4 48.5 -103.1 69.3 65 75 A A H > S+ 0 0 40 -4,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.890 115.4 52.6 -68.3 -38.3 49.2 -100.3 71.8 66 76 A R H >< S+ 0 0 17 -4,-1.5 3,-1.0 1,-0.2 4,-0.2 0.867 105.8 54.7 -66.6 -36.0 46.2 -98.3 70.5 67 77 A Y H >< S+ 0 0 36 -4,-2.6 3,-1.8 1,-0.2 4,-0.4 0.862 99.1 62.7 -60.9 -37.0 44.0 -101.4 71.0 68 78 A K H >< S+ 0 0 172 -4,-1.4 3,-0.7 1,-0.3 -1,-0.2 0.704 88.3 72.7 -63.6 -18.0 45.2 -101.5 74.6 69 79 A L T << S+ 0 0 40 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.670 82.5 69.5 -71.4 -15.7 43.5 -98.1 75.1 70 80 A F T < S- 0 0 14 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.841 80.5-159.0 -74.3 -30.7 40.1 -99.7 75.0 71 81 A N < + 0 0 93 -3,-0.7 -3,-0.1 -4,-0.4 -2,-0.1 0.757 65.8 77.1 59.4 28.2 40.5 -101.4 78.4 72 82 A S > - 0 0 9 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.827 65.2-152.9-167.6 120.5 37.8 -103.9 77.4 73 83 A P H > S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.896 101.1 48.9 -61.8 -40.6 37.8 -106.9 75.1 74 84 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.905 112.9 45.4 -70.3 -43.3 34.1 -106.6 74.4 75 85 A L H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.5 0.876 110.7 54.4 -65.7 -39.6 34.2 -102.8 73.6 76 86 A L H X S+ 0 0 43 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.938 110.8 48.0 -56.1 -46.1 37.3 -103.4 71.4 77 87 A F H < S+ 0 0 62 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.923 117.1 39.7 -60.5 -47.1 35.3 -105.9 69.6 78 88 A L H < S+ 0 0 4 -4,-2.3 24,-0.6 1,-0.1 25,-0.2 0.826 128.9 23.9 -74.3 -31.2 32.2 -103.7 69.1 79 89 A L H < S+ 0 0 1 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.700 89.9 100.0-114.0 -27.9 33.9 -100.4 68.4 80 90 A S < - 0 0 27 -4,-1.9 2,-0.2 -5,-0.5 3,-0.1 -0.183 59.1-131.6 -70.2 158.9 37.4 -100.6 67.0 81 91 A R - 0 0 22 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.555 46.2 -74.0 -94.4 170.4 38.5 -100.3 63.3 82 92 A G > - 0 0 39 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 0.037 47.1 -97.7 -66.2 173.6 40.8 -102.9 61.8 83 93 A K H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.901 121.1 42.9 -61.9 -48.5 44.5 -103.2 62.5 84 94 A A H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.880 114.9 51.0 -64.0 -40.4 45.8 -101.4 59.4 85 95 A A H > S+ 0 0 44 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.906 113.5 45.6 -65.4 -39.6 43.2 -98.6 59.8 86 96 A T H < S+ 0 0 1 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.864 113.0 49.6 -70.7 -39.5 44.2 -98.2 63.4 87 97 A E H < S+ 0 0 97 -4,-2.3 -25,-0.4 -5,-0.2 -1,-0.2 0.835 112.2 47.5 -68.8 -34.7 47.9 -98.2 62.7 88 98 A N H < S+ 0 0 107 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.496 84.4 120.1 -86.3 -7.3 47.6 -95.6 59.9 89 99 A W < + 0 0 15 -4,-0.6 2,-0.3 -3,-0.4 -27,-0.2 -0.347 33.6 157.0 -54.8 136.4 45.4 -93.3 62.0 90 100 A S B > -F 93 0B 37 3,-0.9 3,-1.6 1,-0.0 -35,-0.1 -0.950 59.3 -99.1-150.3 169.8 46.9 -89.9 62.6 91 101 A I T 3 S+ 0 0 93 1,-0.3 3,-0.3 -2,-0.3 -2,-0.0 0.819 130.4 45.3 -62.3 -24.4 45.6 -86.4 63.4 92 102 A E T 3 S+ 0 0 166 1,-0.2 -1,-0.3 -3,-0.0 2,-0.1 0.499 116.2 47.2 -91.3 -6.0 45.9 -85.7 59.7 93 103 A N B < S+F 90 0B 88 -3,-1.6 -3,-0.9 -5,-0.0 -1,-0.2 -0.523 82.9 175.3-135.2 63.0 44.3 -89.1 58.8 94 104 A L - 0 0 73 -3,-0.3 2,-0.2 -5,-0.2 -3,-0.1 -0.280 37.6 -96.1 -77.2 154.7 41.2 -89.2 61.1 95 105 A F - 0 0 14 -48,-0.3 2,-0.2 -47,-0.1 -1,-0.1 -0.476 42.1-169.2 -62.4 135.5 38.6 -91.9 61.1 96 106 A E - 0 0 152 1,-0.2 -1,-0.0 -2,-0.2 -3,-0.0 -0.704 42.6 -57.3-114.4 176.1 35.6 -91.0 59.1 97 107 A E - 0 0 79 -2,-0.2 2,-0.4 1,-0.0 -1,-0.2 -0.192 52.8-155.6 -52.8 144.0 32.2 -92.8 59.0 98 108 A K > - 0 0 87 1,-0.1 3,-1.8 -3,-0.1 -51,-0.1 -0.994 18.7-127.1-127.6 135.6 32.4 -96.5 58.0 99 109 A Q T 3 S+ 0 0 208 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.862 105.0 36.9 -49.9 -50.2 29.5 -98.5 56.4 100 110 A N T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 0, 0.0 2,-0.0 0.108 75.9 141.3-101.2 25.7 29.5 -101.4 58.9 101 111 A D < - 0 0 25 -3,-1.8 -22,-0.1 1,-0.1 -23,-0.1 -0.417 56.5-126.1 -55.3 139.2 30.4 -99.6 62.1 102 112 A T S S+ 0 0 18 -24,-0.6 2,-0.3 -2,-0.0 -1,-0.1 0.917 84.5 35.6 -54.9 -51.3 28.3 -101.3 64.9 103 113 A A - 0 0 7 -25,-0.2 -57,-0.3 1,-0.1 14,-0.2 -0.717 54.8-154.9-112.5 157.2 26.7 -98.2 66.3 104 114 A D S S+ 0 0 52 12,-1.8 -58,-0.6 1,-0.3 2,-0.4 0.833 88.5 14.7 -86.0 -42.7 25.4 -94.8 64.9 105 115 A I E -BC 45 116A 0 11,-2.3 11,-3.4 -60,-0.2 2,-0.5 -0.998 64.9-154.7-140.5 133.8 25.8 -92.9 68.1 106 116 A L E -BC 44 115A 1 -62,-3.6 -62,-2.4 -2,-0.4 2,-0.5 -0.938 5.0-169.5-108.7 133.7 27.7 -93.6 71.4 107 117 A L E +BC 43 114A 0 7,-2.7 7,-2.8 -2,-0.5 2,-0.4 -0.983 16.0 175.9-117.8 120.2 26.7 -92.1 74.7 108 118 A V E + C 0 113A 19 -66,-2.1 2,-0.3 -2,-0.5 5,-0.2 -0.980 10.2 160.2-131.5 136.9 29.3 -92.6 77.4 109 119 A K E > S- C 0 112A 77 3,-1.8 3,-1.9 -2,-0.4 -67,-0.1 -0.963 72.3 -0.0-152.9 135.2 29.5 -91.4 81.0 110 120 A D T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.888 128.9 -60.6 51.7 41.6 31.5 -92.7 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113.1 44.9 -59.5 -50.4 23.9 -113.5 77.4 218 228 A K H X S+ 0 0 58 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.918 115.5 49.0 -59.9 -44.3 23.6 -117.2 78.2 219 229 A S H X S+ 0 0 41 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.904 110.3 48.7 -65.3 -43.7 20.0 -117.3 77.2 220 230 A Y H X S+ 0 0 0 -4,-3.0 4,-3.4 2,-0.2 -1,-0.2 0.898 110.1 53.6 -62.7 -39.5 20.6 -115.5 73.8 221 231 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.936 107.7 49.5 -63.2 -42.3 23.5 -117.9 73.1 222 232 A K H X S+ 0 0 52 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.947 113.8 47.5 -59.0 -44.0 21.2 -120.9 73.7 223 233 A H H X S+ 0 0 18 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.939 112.0 48.7 -60.8 -47.7 18.7 -119.2 71.3 224 234 A F H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.930 112.7 47.2 -58.3 -49.8 21.4 -118.5 68.7 225 235 A V H X S+ 0 0 6 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.886 113.2 49.6 -61.5 -41.9 22.8 -122.0 68.8 226 236 A T H X S+ 0 0 56 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.917 111.9 47.4 -64.9 -44.2 19.3 -123.5 68.5 227 237 A Q H X S+ 0 0 64 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.877 109.5 53.4 -66.4 -37.8 18.3 -121.3 65.6 228 238 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.923 108.6 49.9 -61.2 -46.3 21.6 -122.0 63.8 229 239 A E H X S+ 0 0 60 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.916 112.8 47.0 -56.8 -46.8 20.9 -125.8 64.1 230 240 A Q H X S+ 0 0 110 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.882 111.2 51.0 -66.5 -39.8 17.4 -125.4 62.8 231 241 A R H X S+ 0 0 54 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.911 103.6 58.7 -61.9 -43.0 18.6 -123.2 59.9 232 242 A A H X S+ 0 0 7 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.933 112.8 40.4 -53.0 -45.8 21.2 -125.8 58.9 233 243 A I H >X S+ 0 0 105 -4,-1.6 4,-1.3 1,-0.2 3,-1.0 0.925 110.8 57.0 -65.7 -47.4 18.3 -128.3 58.5 234 244 A S H 3X S+ 0 0 52 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.790 96.5 64.7 -56.0 -32.0 16.0 -125.8 56.8 235 245 A M H 3X>S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 5,-0.7 0.843 99.6 51.2 -64.0 -35.9 18.5 -125.1 54.0 236 246 A I H S+ 0 0 64 -3,-1.0 5,-2.8 -4,-0.7 4,-1.2 0.937 111.6 49.7 -62.9 -45.0 18.2 -128.6 52.7 237 247 A D H <5S+ 0 0 108 -4,-1.3 -2,-0.2 3,-0.2 -1,-0.2 0.893 125.2 25.3 -58.9 -42.5 14.5 -128.2 52.7 238 248 A K H <5S+ 0 0 41 -4,-2.2 -2,-0.2 3,-0.1 -3,-0.2 0.802 132.6 29.6 -99.5 -31.8 14.5 -124.9 50.8 239 249 A F H <5S+ 0 0 11 -4,-2.9 -3,-0.2 -5,-0.3 233,-0.2 0.578 127.9 29.9-110.8 -12.1 17.7 -124.8 48.8 240 250 A V T >X> S+ 0 0 0 2,-0.1 3,-1.4 1,-0.1 4,-0.2 0.830 95.3 68.6 -87.5 -39.6 26.5 -103.8 24.5 253 5 B K G > S+ 0 0 108 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.881 93.1 57.0 -52.4 -47.5 29.6 -105.9 23.8 254 6 B P G 3 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.786 117.4 36.4 -56.9 -26.6 30.0 -104.9 20.1 255 7 B I G <> S+ 0 0 34 -3,-1.4 4,-2.0 -4,-0.2 3,-0.5 0.150 80.8 114.6-110.8 17.3 30.2 -101.2 21.3 256 8 B Y H <> S+ 0 0 57 -3,-1.8 4,-3.4 1,-0.2 5,-0.2 0.877 75.4 55.4 -52.2 -41.6 32.1 -101.7 24.5 257 9 B Q H > S+ 0 0 82 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.889 106.4 51.9 -63.0 -36.3 35.1 -99.8 23.2 258 10 B D H > S+ 0 0 82 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.936 114.0 43.2 -62.8 -46.2 32.8 -96.9 22.5 259 11 B I H X S+ 0 0 0 -4,-2.0 4,-1.9 -7,-0.2 5,-0.3 0.923 110.4 54.0 -65.9 -47.6 31.5 -97.0 26.1 260 12 B N H X S+ 0 0 35 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.907 110.7 47.7 -54.2 -44.2 34.9 -97.5 27.7 261 13 B S H < S+ 0 0 93 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.872 112.2 47.0 -67.7 -42.3 36.2 -94.4 26.0 262 14 B I H < S+ 0 0 82 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.2 0.802 121.6 37.7 -68.9 -28.5 33.3 -92.1 26.8 263 15 B L H >< S+ 0 0 0 -4,-1.9 3,-2.9 -5,-0.2 153,-0.3 0.844 90.1 87.4 -91.9 -38.4 33.3 -93.2 30.5 264 16 B I T 3< S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.449 105.0 26.4 -55.0 -1.5 37.0 -93.6 31.2 265 17 B G T 3 S+ 0 0 56 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.346 89.7 128.9-136.6 3.0 37.4 -89.9 32.2 266 18 B Q < - 0 0 19 -3,-2.9 150,-2.1 149,-0.1 2,-0.4 -0.176 41.5-153.9 -60.5 153.3 33.9 -89.1 33.4 267 19 B K E -I 415 0D 62 148,-0.2 2,-0.3 140,-0.0 148,-0.2 -0.998 11.7-167.7-136.0 133.3 33.5 -87.4 36.7 268 20 B V E -I 414 0D 38 146,-1.7 146,-2.8 -2,-0.4 2,-0.3 -0.823 38.2 -96.8-108.9 158.8 30.6 -87.3 39.2 269 21 B K E I 413 0D 94 -2,-0.3 144,-0.3 144,-0.2 143,-0.0 -0.595 360.0 360.0 -82.6 133.0 30.5 -84.8 42.2 270 22 B R 0 0 89 142,-2.6 143,-0.2 -2,-0.3 -1,-0.1 0.980 360.0 360.0 -68.1 360.0 31.7 -86.1 45.6 271 ! 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 0.0 272 38 B E > 0 0 44 0, 0.0 3,-1.9 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 36.9 27.8 -93.6 37.3 273 39 B K T 3> + 0 0 73 1,-0.3 4,-1.3 2,-0.2 5,-0.0 0.125 360.0 104.1 -62.8 20.2 24.4 -93.9 35.6 274 40 B L H 3> + 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.633 69.9 69.1 -61.8 -20.9 26.3 -92.0 32.9 275 41 B V H <> S+ 0 0 1 -3,-1.9 4,-2.3 2,-0.2 5,-0.2 0.945 97.0 46.4 -64.9 -47.2 26.2 -95.6 31.5 276 42 B Y H > S+ 0 0 51 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.936 109.7 55.1 -60.0 -48.3 22.4 -95.4 31.0 277 43 B K H X S+ 0 0 41 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.943 109.9 45.5 -49.7 -54.7 22.7 -92.0 29.3 278 44 B F H X S+ 0 0 19 -4,-2.1 4,-1.9 1,-0.2 3,-0.5 0.951 115.8 45.2 -57.8 -52.0 25.3 -93.2 26.8 279 45 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 8,-0.2 0.883 111.9 52.6 -60.2 -40.1 23.3 -96.4 25.9 280 46 B K H < S+ 0 0 54 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.806 114.1 43.8 -66.3 -27.2 20.0 -94.4 25.7 281 47 B E H < S+ 0 0 158 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.702 122.8 35.3 -90.2 -22.4 21.7 -92.0 23.3 282 48 B N H < S+ 0 0 88 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.576 134.7 22.7-108.2 -12.9 23.4 -94.7 21.2 283 49 B L S >X S+ 0 0 37 -4,-2.4 4,-1.7 -5,-0.3 3,-1.6 -0.318 74.0 155.7-145.4 51.5 20.8 -97.4 21.3 284 50 B S T 34 S+ 0 0 52 1,-0.3 -3,-0.1 2,-0.2 -4,-0.1 0.770 71.1 53.9 -57.8 -33.1 17.7 -95.4 22.1 285 51 B D T 34 S+ 0 0 152 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.760 117.6 37.2 -74.1 -21.5 15.2 -97.9 20.6 286 52 B L T <4 S+ 0 0 25 -3,-1.6 66,-2.1 -7,-0.2 2,-0.4 0.718 95.8 91.9 -98.8 -26.4 16.7 -100.8 22.8 287 53 B T E < +J 351 0D 0 -4,-1.7 2,-0.3 -8,-0.2 64,-0.2 -0.632 41.2 154.2 -98.3 128.4 17.6 -99.2 26.1 288 54 B F E -J 350 0D 21 62,-2.9 62,-3.5 -2,-0.4 2,-0.2 -0.987 42.0-123.4-141.5 147.0 15.4 -99.0 29.2 289 55 B K E > -J 349 0D 20 -2,-0.3 4,-2.5 60,-0.2 60,-0.2 -0.569 47.5-107.6 -73.9 160.0 15.7 -98.7 33.0 290 56 B Q H > S+ 0 0 6 58,-0.6 4,-1.8 57,-0.3 5,-0.2 0.957 120.6 44.4 -60.7 -51.0 13.8 -101.7 34.4 291 57 B Y H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 48,-0.3 0.858 112.3 55.8 -60.8 -34.1 10.8 -99.7 35.7 292 58 B E H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.903 104.2 51.8 -64.0 -44.3 10.9 -97.8 32.4 293 59 B Y H X S+ 0 0 22 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.892 110.7 48.9 -58.8 -39.6 10.5 -101.0 30.4 294 60 B L H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.897 111.2 49.1 -69.6 -40.2 7.5 -102.0 32.5 295 61 B N H X S+ 0 0 13 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.967 112.4 48.5 -60.1 -50.8 5.9 -98.6 32.0 296 62 B D H X S+ 0 0 74 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.922 111.7 50.0 -53.0 -52.2 6.5 -98.8 28.3 297 63 B L H < S+ 0 0 24 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.897 116.2 40.6 -54.2 -47.7 5.0 -102.3 28.1 298 64 B F H >< S+ 0 0 3 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.869 113.4 53.7 -76.3 -35.5 1.9 -101.4 30.1 299 65 B M H 3< S+ 0 0 85 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.888 106.0 53.7 -60.2 -40.3 1.4 -98.0 28.3 300 66 B K T 3< S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.556 110.3 49.4 -73.6 -8.9 1.6 -99.7 24.8 301 67 B N X + 0 0 57 -3,-0.9 3,-2.1 -4,-0.3 -1,-0.3 -0.410 63.0 156.2-128.6 56.5 -1.2 -102.1 25.9 302 68 B P T 3 + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.714 68.8 65.7 -57.6 -23.7 -3.9 -99.8 27.4 303 69 B A T 3 S+ 0 0 94 -3,-0.1 2,-0.6 1,-0.0 -3,-0.0 0.618 87.7 82.3 -76.1 -11.6 -6.7 -102.3 26.8 304 70 B I < + 0 0 52 -3,-2.1 2,-0.3 -6,-0.2 -3,-0.1 -0.844 58.7 171.3-101.2 116.8 -5.2 -104.7 29.3 305 71 B I + 0 0 127 -2,-0.6 4,-0.4 29,-0.0 5,-0.1 -0.816 36.0 36.4-123.1 164.5 -5.9 -104.1 33.0 306 72 B G S > S- 0 0 11 25,-0.4 4,-1.9 -2,-0.3 5,-0.2 0.168 86.2 -85.1 75.9 161.3 -5.4 -106.0 36.2 307 73 B H H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.855 119.4 54.6 -76.3 -38.6 -2.3 -108.1 37.2 308 74 B E H > S+ 0 0 67 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.940 114.9 41.0 -60.6 -46.7 -3.2 -111.5 35.7 309 75 B A H >> S+ 0 0 38 -4,-0.4 4,-0.7 1,-0.2 3,-0.5 0.918 116.0 48.6 -69.1 -43.7 -3.7 -110.0 32.2 310 76 B R H >< S+ 0 0 17 -4,-1.9 3,-0.5 1,-0.3 4,-0.4 0.809 105.9 58.4 -66.9 -31.0 -0.7 -107.6 32.4 311 77 B Y H >< S+ 0 0 34 -4,-2.2 3,-1.1 1,-0.2 5,-0.3 0.811 99.5 59.6 -65.6 -29.1 1.4 -110.5 33.6 312 78 B K H X< S+ 0 0 108 -4,-1.0 3,-1.2 -3,-0.5 -1,-0.2 0.747 88.0 74.6 -72.0 -20.8 0.5 -112.2 30.3 313 79 B L T << S+ 0 0 32 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.763 84.7 65.2 -60.9 -25.4 2.1 -109.3 28.5 314 80 B F T < S- 0 0 17 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.798 84.9-157.8 -68.8 -27.2 5.5 -110.7 29.4 315 81 B N < + 0 0 150 -3,-1.2 -3,-0.1 -4,-0.3 -2,-0.1 0.852 67.2 76.3 50.0 38.8 4.9 -113.8 27.3 316 82 B S > - 0 0 9 -5,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.618 66.2-152.8-178.0 112.1 7.5 -115.6 29.3 317 83 B P H > S+ 0 0 59 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.868 99.9 51.7 -57.1 -39.0 7.3 -117.0 32.9 318 84 B T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.944 113.5 41.0 -69.1 -48.2 11.1 -116.6 33.4 319 85 B L H >>S+ 0 0 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3,-1.6 -72,-0.2 4,-0.7 -0.862 33.1-131.0 -89.3 137.0 34.7 -108.5 40.4 446 212 B V G >4 S+ 0 0 4 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.896 106.6 58.5 -55.6 -42.6 33.6 -108.3 36.8 447 213 B R G 34 S+ 0 0 120 1,-0.3 -1,-0.3 -27,-0.1 -26,-0.1 0.683 107.7 48.0 -62.3 -19.3 37.2 -108.0 35.6 448 214 B D G <4 S+ 0 0 111 -3,-1.6 2,-0.3 2,-0.1 -1,-0.3 0.537 80.7 117.5 -96.2 -11.0 38.0 -111.4 37.2 449 215 B L << - 0 0 19 -3,-1.3 -26,-0.1 -4,-0.7 2,-0.1 -0.427 64.0-130.9 -66.5 119.6 35.0 -113.4 35.9 450 216 B D - 0 0 56 -2,-0.3 3,-0.1 -22,-0.1 -24,-0.1 -0.407 17.7-167.4 -68.4 147.6 36.1 -116.2 33.6 451 217 B Q + 0 0 62 -24,-0.2 -24,-0.2 1,-0.1 -1,-0.1 -0.160 52.8 108.0-128.9 38.4 34.3 -116.4 30.3 452 218 B G + 0 0 60 -24,-0.0 -25,-0.2 2,-0.0 2,-0.2 0.254 32.1 135.7-105.2 11.3 35.3 -119.8 29.0 453 219 B F - 0 0 42 -27,-2.9 -25,-0.1 1,-0.1 7,-0.0 -0.437 28.0-177.6 -60.1 128.0 32.1 -121.8 29.4 454 220 B N + 0 0 101 -2,-0.2 -1,-0.1 2,-0.0 -28,-0.0 0.681 46.4 85.9-104.1 -23.3 31.7 -123.8 26.2 455 221 B G S S- 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