==== 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 3E45 . 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 . 495 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 14.3 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 . 2 0.4 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 . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 30.7 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+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 4 0 2 2 0 2 0 2 2 0 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 1 1 0 0 0 2 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 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 52 0, 0.0 177,-0.0 0, 0.0 111,-0.0 0.000 360.0 360.0 360.0 154.9 20.0 -95.5 80.2 2 3 A F + 0 0 46 2,-0.1 4,-0.3 1,-0.1 105,-0.0 0.786 360.0 40.9 -90.9 -30.4 21.0 -91.9 79.5 3 4 A I S > S+ 0 0 1 2,-0.1 3,-1.2 1,-0.1 7,-0.2 0.779 97.9 72.1 -92.4 -31.0 18.3 -90.8 77.0 4 5 A K G > S+ 0 0 113 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.895 88.8 65.0 -48.8 -44.3 15.3 -92.4 78.6 5 6 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.857 119.6 23.4 -49.1 -38.3 15.4 -89.9 81.4 6 7 A I G <> S+ 0 0 44 -3,-1.2 4,-1.8 -4,-0.3 -2,-0.2 -0.067 88.0 120.4-117.9 31.5 14.6 -87.2 78.9 7 8 A Y H <> + 0 0 47 -3,-2.3 4,-2.7 1,-0.2 5,-0.1 0.864 69.3 58.7 -66.4 -37.2 13.0 -89.3 76.2 8 9 A Q H > S+ 0 0 109 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.916 106.8 49.0 -56.8 -45.0 9.7 -87.5 76.3 9 10 A D H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.951 110.4 49.8 -57.9 -51.8 11.5 -84.3 75.4 10 11 A I H X S+ 0 0 3 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.899 111.7 51.1 -54.5 -41.8 13.3 -86.1 72.5 11 12 A N H X S+ 0 0 27 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.906 109.7 46.5 -65.5 -44.5 9.9 -87.4 71.4 12 13 A S H < S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.868 115.0 47.7 -67.3 -36.1 8.1 -84.0 71.3 13 14 A I H < S+ 0 0 83 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.933 108.1 53.4 -68.6 -47.8 11.0 -82.3 69.5 14 15 A L H >< S+ 0 0 1 -4,-2.3 3,-1.8 -5,-0.2 157,-0.4 0.885 90.3 83.1 -61.0 -43.3 11.4 -85.0 66.8 15 16 A I T 3< S+ 0 0 69 -4,-1.6 157,-0.2 1,-0.3 3,-0.1 -0.465 98.7 26.1 -62.8 130.8 7.8 -85.0 65.7 16 17 A G T 3 S+ 0 0 50 155,-1.9 -1,-0.3 1,-0.4 -2,-0.1 -0.034 89.1 132.9 101.8 -29.7 7.4 -82.1 63.3 17 18 A Q < - 0 0 69 -3,-1.8 154,-2.2 -4,-0.4 -1,-0.4 -0.287 42.5-156.6 -53.2 134.9 11.0 -82.2 62.3 18 19 A K E -A 170 0A 59 152,-0.2 2,-0.4 -3,-0.1 152,-0.2 -0.919 14.8-169.8-123.3 144.8 11.3 -82.1 58.5 19 20 A V E -A 169 0A 21 150,-2.7 150,-2.9 -2,-0.4 7,-0.1 -0.990 32.7-104.5-131.3 142.5 14.1 -83.3 56.1 20 21 A K E A 168 0A 84 -2,-0.4 148,-0.2 148,-0.2 147,-0.0 -0.316 360.0 360.0 -67.9 145.1 14.3 -82.5 52.4 21 22 A R 0 0 103 146,-1.6 147,-0.1 2,-0.0 -1,-0.1 0.957 360.0 360.0 -65.8 360.0 13.4 -85.2 49.9 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 34 A G > 0 0 12 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 45.9 14.9 -91.1 55.7 24 35 A E T > + 0 0 122 1,-0.3 3,-0.9 2,-0.1 4,-0.2 0.646 360.0 70.7 -48.7 -22.5 18.2 -92.3 57.0 25 36 A P T 3> S+ 0 0 75 0, 0.0 4,-0.8 0, 0.0 3,-0.4 0.343 70.5 83.6 -90.9 10.3 19.1 -88.6 57.9 26 37 A F H <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.2 5,-0.2 0.752 80.7 72.3 -68.1 -24.7 16.6 -88.2 60.8 27 38 A E H <> S+ 0 0 37 -3,-0.9 4,-2.0 -4,-0.3 -1,-0.2 0.861 90.7 55.7 -54.0 -38.4 19.5 -89.9 62.5 28 39 A K H > S+ 0 0 50 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.918 105.5 50.1 -62.2 -46.2 21.4 -86.6 62.3 29 40 A L H X S+ 0 0 43 -4,-0.8 4,-2.8 2,-0.2 5,-0.2 0.927 108.4 52.3 -59.0 -47.2 18.6 -84.7 64.0 30 41 A V H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.915 112.9 46.8 -53.5 -42.2 18.6 -87.3 66.8 31 42 A Y H X S+ 0 0 53 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.890 110.1 51.1 -68.5 -43.1 22.3 -86.7 67.1 32 43 A K H X S+ 0 0 42 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.929 111.0 49.6 -58.1 -46.1 22.0 -82.9 67.0 33 44 A F H X S+ 0 0 21 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.911 114.3 43.8 -61.7 -44.9 19.4 -83.0 69.8 34 45 A L H X S+ 0 0 1 -4,-2.0 4,-3.0 -5,-0.2 -2,-0.2 0.928 111.3 52.6 -66.7 -48.5 21.6 -85.2 72.0 35 46 A K H < S+ 0 0 36 -4,-2.9 4,-0.2 1,-0.2 -1,-0.2 0.869 114.9 44.5 -54.5 -37.8 24.8 -83.3 71.3 36 47 A E H < S+ 0 0 156 -4,-2.0 -1,-0.2 -5,-0.2 3,-0.2 0.802 122.0 36.3 -78.0 -28.4 23.0 -80.2 72.4 37 48 A N H < S+ 0 0 87 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.585 138.2 15.9-101.9 -11.3 21.2 -81.8 75.4 38 49 A L S >X S+ 0 0 36 -4,-3.0 3,-1.5 -5,-0.1 4,-1.4 -0.335 72.3 161.0-155.1 58.8 24.1 -84.0 76.5 39 50 A S T 34 S+ 0 0 56 1,-0.3 -4,-0.1 -3,-0.2 -3,-0.1 0.747 75.6 50.7 -62.7 -27.9 27.2 -82.7 74.7 40 51 A D T 34 S+ 0 0 147 1,-0.2 -1,-0.3 -3,-0.0 -5,-0.1 0.581 115.8 42.0 -87.7 -10.1 29.7 -84.4 77.1 41 52 A L T <4 S+ 0 0 40 -3,-1.5 66,-1.8 -7,-0.2 2,-0.4 0.632 96.9 91.9-101.1 -20.0 28.0 -87.8 76.8 42 53 A T E < +B 106 0A 0 -4,-1.4 2,-0.3 64,-0.2 64,-0.2 -0.670 43.9 150.6 -99.6 124.9 27.3 -87.8 73.1 43 54 A F E -B 105 0A 29 62,-2.7 62,-3.6 -2,-0.4 2,-0.2 -0.997 42.1-125.9-143.3 147.5 29.6 -89.2 70.4 44 55 A K > - 0 0 25 -2,-0.3 4,-2.8 60,-0.2 5,-0.2 -0.583 44.1-109.8 -72.7 154.2 29.4 -90.8 66.9 45 56 A Q H > S+ 0 0 6 58,-0.4 4,-2.0 57,-0.3 5,-0.2 0.938 122.7 46.0 -53.7 -46.3 31.3 -94.1 67.1 46 57 A Y H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 48,-0.2 0.882 111.5 54.0 -65.6 -35.5 34.1 -92.6 64.9 47 58 A E H > S+ 0 0 39 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.917 106.4 49.9 -62.9 -46.8 34.0 -89.5 67.1 48 59 A Y H X S+ 0 0 32 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.930 112.6 47.3 -60.8 -45.6 34.5 -91.5 70.4 49 60 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.873 112.1 50.8 -60.8 -41.1 37.5 -93.4 68.9 50 61 A N H X S+ 0 0 13 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.903 110.7 48.8 -62.9 -40.8 38.9 -90.1 67.6 51 62 A D H X S+ 0 0 59 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.900 111.1 49.9 -68.7 -38.5 38.6 -88.5 71.0 52 63 A L H < S+ 0 0 29 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.918 112.0 47.0 -61.0 -45.4 40.2 -91.5 72.8 53 64 A F H < S+ 0 0 5 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.719 106.8 55.3 -77.6 -25.8 43.2 -91.6 70.5 54 65 A M H < S+ 0 0 89 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.741 102.5 59.4 -73.3 -24.9 44.0 -87.8 70.6 55 66 A K S < S+ 0 0 162 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.645 112.4 38.9 -77.5 -15.7 44.2 -88.1 74.4 56 67 A N > + 0 0 48 -4,-0.4 3,-0.6 -3,-0.3 -1,-0.2 -0.316 65.6 157.2-131.6 53.9 47.0 -90.6 74.1 57 68 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.671 76.1 59.0 -57.0 -23.6 49.1 -89.3 71.2 58 69 A A T 3 S+ 0 0 84 1,-0.1 2,-1.1 -3,-0.1 -2,-0.1 0.966 86.8 79.7 -63.7 -57.5 52.1 -91.2 72.6 59 70 A I < + 0 0 60 -3,-0.6 2,-0.2 5,-0.1 -3,-0.1 -0.358 68.5 166.6 -56.7 92.0 50.2 -94.6 72.4 60 71 A I + 0 0 109 -2,-1.1 4,-0.3 4,-0.0 26,-0.1 -0.628 29.9 47.2-108.3 167.6 50.8 -95.3 68.7 61 72 A G S > S- 0 0 11 25,-0.4 4,-1.8 24,-0.2 5,-0.1 0.176 86.4 -89.9 79.4 156.7 50.2 -98.6 66.8 62 73 A H H > S+ 0 0 56 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.946 118.6 52.2 -71.9 -51.4 47.2 -100.9 66.9 63 74 A E H > S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.887 115.7 43.3 -51.9 -43.3 48.1 -103.3 69.7 64 75 A A H 4 S+ 0 0 44 -4,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.875 114.2 49.4 -73.6 -40.8 48.8 -100.4 72.1 65 76 A R H >< S+ 0 0 13 -4,-1.8 3,-1.8 1,-0.2 4,-0.3 0.909 106.3 57.2 -63.1 -42.6 45.7 -98.4 71.0 66 77 A Y H >< S+ 0 0 36 -4,-3.3 3,-1.7 1,-0.3 4,-0.4 0.872 97.8 60.6 -56.4 -40.2 43.5 -101.5 71.5 67 78 A K G >< S+ 0 0 74 -4,-1.3 3,-0.8 1,-0.3 -1,-0.3 0.699 88.3 78.5 -61.6 -16.1 44.7 -101.8 75.1 68 79 A L G < S+ 0 0 37 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.763 85.5 57.5 -64.3 -28.7 43.1 -98.3 75.5 69 80 A F G < S- 0 0 13 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.764 83.2-159.7 -72.7 -27.6 39.6 -99.7 75.7 70 81 A N < + 0 0 139 -3,-0.8 -3,-0.1 -4,-0.4 -2,-0.1 0.874 63.8 87.4 38.8 49.1 40.4 -101.9 78.7 71 82 A S > - 0 0 10 1,-0.0 4,-2.7 2,-0.0 5,-0.3 -0.627 63.6-155.6-169.4 109.0 37.3 -104.1 77.8 72 83 A P H > S+ 0 0 61 0, 0.0 4,-0.9 0, 0.0 72,-0.1 0.783 98.7 51.0 -61.1 -26.1 37.4 -107.1 75.4 73 84 A T H > S+ 0 0 0 2,-0.2 4,-1.9 70,-0.2 3,-0.2 0.949 113.2 40.8 -72.8 -52.7 33.6 -106.6 74.9 74 85 A L H > S+ 0 0 4 1,-0.3 4,-1.6 2,-0.2 5,-0.3 0.821 111.1 59.1 -66.7 -31.9 33.7 -102.9 74.0 75 86 A L H X S+ 0 0 48 -4,-2.7 4,-1.6 1,-0.2 -1,-0.3 0.897 108.2 47.8 -55.8 -41.0 36.8 -103.4 72.0 76 87 A F H < S+ 0 0 66 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.892 116.2 39.0 -72.4 -41.6 34.7 -105.8 70.0 77 88 A L H < S+ 0 0 2 -4,-1.9 24,-0.6 1,-0.1 25,-0.2 0.660 127.4 30.1 -81.6 -16.7 31.6 -103.6 69.4 78 89 A L H < S+ 0 0 1 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.627 90.9 93.7-123.4 -20.5 33.5 -100.4 68.9 79 90 A S < - 0 0 29 -4,-1.6 2,-0.2 -5,-0.3 3,-0.1 -0.334 56.9-133.7 -86.7 163.6 36.9 -100.7 67.3 80 91 A R - 0 0 23 1,-0.2 -1,-0.1 -2,-0.1 5,-0.1 -0.518 45.2 -62.9-101.4 177.8 38.2 -100.5 63.8 81 92 A G > - 0 0 42 -2,-0.2 4,-2.2 1,-0.1 5,-0.3 0.130 46.4-105.7 -58.6 170.2 40.6 -102.8 62.0 82 93 A K H > S+ 0 0 128 1,-0.2 4,-1.4 2,-0.2 -20,-0.1 0.924 122.1 41.6 -65.1 -46.1 44.3 -103.4 62.9 83 94 A A H > S+ 0 0 65 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.864 113.2 55.6 -64.5 -39.2 45.6 -101.4 59.9 84 95 A A H 4 S+ 0 0 40 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.951 112.1 39.6 -61.5 -55.0 42.9 -98.7 60.5 85 96 A T H >< S+ 0 0 2 -4,-2.2 3,-0.8 1,-0.2 -24,-0.2 0.832 116.1 56.1 -57.5 -36.1 43.9 -98.0 64.1 86 97 A E H 3< S+ 0 0 85 -4,-1.4 -25,-0.4 1,-0.3 -2,-0.2 0.920 110.0 41.2 -67.9 -48.4 47.5 -98.4 63.0 87 98 A N T 3< S+ 0 0 113 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.278 86.9 134.6 -81.9 10.1 47.4 -95.8 60.3 88 99 A W < + 0 0 21 -3,-0.8 2,-0.3 -5,-0.1 5,-0.2 -0.398 28.4 167.8 -65.6 135.0 45.3 -93.5 62.5 89 100 A S - 0 0 50 3,-2.2 5,-0.1 -2,-0.1 -35,-0.1 -0.879 50.3-122.0-137.4 168.4 46.5 -90.0 62.5 90 101 A I S S+ 0 0 106 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.714 124.9 44.4 -79.1 -25.4 45.4 -86.5 63.7 91 102 A E S S+ 0 0 96 1,-0.2 -1,-0.2 -3,-0.0 2,-0.1 0.533 122.5 40.4 -92.4 -10.6 45.8 -85.6 60.0 92 103 A N S S+ 0 0 97 -5,-0.0 -3,-2.2 0, 0.0 -1,-0.2 -0.595 85.2 172.2-135.1 75.5 44.1 -88.9 59.1 93 104 A L - 0 0 63 -3,-0.4 -3,-0.1 -5,-0.2 2,-0.1 -0.260 39.1 -84.6 -78.6 165.6 41.2 -89.4 61.5 94 105 A F - 0 0 13 -48,-0.2 2,-0.2 -5,-0.1 -1,-0.1 -0.378 46.0-170.8 -65.7 147.4 38.4 -92.0 61.6 95 106 A E - 0 0 138 1,-0.2 -1,-0.0 -2,-0.1 -45,-0.0 -0.658 38.7 -54.9-124.6-175.5 35.3 -91.3 59.5 96 107 A E - 0 0 81 -2,-0.2 2,-0.3 -50,-0.0 -1,-0.2 -0.241 49.3-162.6 -59.2 154.3 31.9 -92.9 59.1 97 108 A K > - 0 0 84 1,-0.2 3,-3.6 -3,-0.1 -1,-0.0 -0.814 21.4-133.2-148.1 100.1 31.9 -96.6 58.3 98 109 A Q T 3 S+ 0 0 167 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.0 0.682 104.6 38.0 -10.0 -67.3 28.8 -98.4 56.9 99 110 A N T 3 S+ 0 0 104 -3,-0.1 -1,-0.3 0, 0.0 2,-0.0 0.125 76.0 133.4 -97.9 24.7 29.2 -101.4 59.3 100 111 A D < - 0 0 22 -3,-3.6 -22,-0.1 1,-0.1 -20,-0.1 -0.409 64.9-119.3 -55.9 147.3 30.3 -99.7 62.5 101 112 A T S S+ 0 0 26 -24,-0.6 2,-0.2 -2,-0.0 -1,-0.1 0.932 84.0 40.0 -59.6 -49.8 28.1 -101.2 65.3 102 113 A A - 0 0 10 -25,-0.2 -57,-0.3 1,-0.1 14,-0.2 -0.564 49.4-158.2-110.7 164.0 26.4 -98.0 66.5 103 114 A D S S+ 0 0 44 12,-1.1 -58,-0.4 1,-0.4 2,-0.4 0.778 90.1 14.6 -95.5 -50.2 24.9 -94.7 65.2 104 115 A I E - C 0 115A 0 11,-2.2 11,-3.1 -60,-0.2 2,-0.5 -0.973 65.4-155.6-130.0 142.6 25.2 -92.8 68.5 105 116 A L E -BC 43 114A 0 -62,-3.6 -62,-2.7 -2,-0.4 2,-0.4 -0.968 7.8-173.1-113.8 131.0 27.3 -93.5 71.6 106 117 A L E +BC 42 113A 0 7,-2.3 7,-3.0 -2,-0.5 2,-0.3 -0.998 16.3 168.4-119.6 129.6 26.3 -92.1 74.9 107 118 A V E + C 0 112A 17 -66,-1.8 2,-0.2 -2,-0.4 5,-0.2 -0.998 13.5 157.1-146.3 146.7 28.7 -92.6 77.8 108 119 A K E > S+ C 0 111A 24 3,-1.6 3,-0.7 -2,-0.3 -67,-0.1 -0.832 71.2 7.2-168.6 123.9 29.3 -91.5 81.4 109 120 A D T 3 S- 0 0 159 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.932 128.0 -58.0 64.7 45.7 31.2 -93.0 84.3 110 121 A Q T 3 S+ 0 0 73 1,-0.2 2,-0.4 43,-0.0 -1,-0.2 0.600 110.3 121.0 65.7 11.0 32.6 -95.9 82.3 111 122 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B R 0 0 104 150,-2.0 151,-0.1 -2,-0.3 -1,-0.1 0.628 360.0 360.0 -49.4 360.0 30.9 -86.0 45.8 270 ! 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 0.0 271 30 B G 0 0 89 0, 0.0 -173,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.9 22.9 -95.8 54.4 272 31 B H + 0 0 105 -174,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.109 360.0 109.7-128.0 39.7 22.4 -98.3 51.6 273 32 B A - 0 0 85 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.726 69.4-121.8 -97.4 161.1 23.2 -96.3 48.4 274 33 B A - 0 0 72 -2,-0.3 -1,-0.1 2,-0.2 96,-0.0 0.993 27.2-117.0 -69.3 -67.9 26.5 -97.2 46.6 275 34 B G S S+ 0 0 46 1,-0.2 -1,-0.1 97,-0.0 97,-0.1 0.033 87.6 90.1 135.9 -18.1 28.6 -94.1 46.4 276 35 B E + 0 0 18 1,-0.1 3,-0.4 95,-0.1 -2,-0.2 -0.964 42.7 178.6-119.2 125.5 28.5 -94.0 42.6 277 36 B P >> + 0 0 64 0, 0.0 4,-1.3 0, 0.0 3,-0.7 0.174 63.9 105.0 -88.0 2.7 25.9 -92.2 40.3 278 37 B F H 3> + 0 0 0 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.813 66.1 68.0 -59.5 -32.7 27.9 -93.6 37.4 279 38 B E H 3> S+ 0 0 34 -3,-0.4 4,-2.6 1,-0.3 -1,-0.3 0.948 100.3 49.0 -51.2 -45.9 25.1 -96.1 36.9 280 39 B K H <> S+ 0 0 52 -3,-0.7 4,-3.0 1,-0.2 -1,-0.3 0.945 109.0 52.8 -56.1 -45.7 23.1 -93.1 35.9 281 40 B L H X S+ 0 0 62 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.861 108.5 50.6 -61.3 -36.7 25.9 -92.1 33.6 282 41 B V H X S+ 0 0 3 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.975 111.1 46.6 -63.5 -55.7 25.9 -95.5 32.0 283 42 B Y H X S+ 0 0 48 -4,-2.6 4,-3.5 1,-0.2 5,-0.4 0.917 108.1 56.9 -50.6 -50.2 22.2 -95.5 31.3 284 43 B K H X S+ 0 0 40 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.910 110.7 44.6 -52.4 -44.7 22.3 -92.0 29.9 285 44 B F H X S+ 0 0 26 -4,-1.7 4,-3.0 -3,-0.2 5,-0.3 0.977 115.8 44.2 -63.2 -57.3 24.9 -93.1 27.4 286 45 B L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 7,-0.2 0.824 116.4 48.0 -58.7 -35.4 23.1 -96.4 26.4 287 46 B K H < S+ 0 0 54 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.912 112.4 51.6 -68.2 -43.4 19.8 -94.5 26.2 288 47 B E H < S+ 0 0 148 -4,-2.5 3,-0.5 -5,-0.4 -2,-0.2 0.954 124.8 23.1 -54.5 -57.8 21.5 -91.8 24.2 289 48 B N H < S+ 0 0 93 -4,-3.0 2,-0.2 1,-0.2 3,-0.2 0.891 133.1 35.1 -86.6 -41.8 23.0 -94.1 21.6 290 49 B L S >X S+ 0 0 48 -4,-2.0 3,-1.9 -5,-0.3 4,-1.0 -0.335 73.5 154.6-105.3 52.0 20.8 -97.2 21.7 291 50 B S T 34 + 0 0 47 -3,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.707 67.8 52.3 -60.1 -27.5 17.6 -95.3 22.4 292 51 B D T 34 S+ 0 0 149 -3,-0.2 -1,-0.3 1,-0.2 -5,-0.1 0.726 115.6 40.3 -78.7 -21.0 15.3 -97.9 20.9 293 52 B L T <4 S+ 0 0 32 -3,-1.9 66,-2.1 -7,-0.2 2,-0.4 0.515 98.1 86.1-104.7 -7.8 16.7 -100.8 23.0 294 53 B T E < +J 358 0D 0 -4,-1.0 2,-0.3 64,-0.2 64,-0.2 -0.841 40.0 145.7-117.7 134.8 17.3 -99.3 26.4 295 54 B F E -J 357 0D 25 62,-1.9 62,-2.0 -2,-0.4 2,-0.1 -0.996 46.8-109.2-151.8 153.4 15.3 -98.8 29.6 296 55 B K E > -J 356 0D 8 -2,-0.3 4,-2.3 60,-0.2 60,-0.2 -0.482 49.9-108.4 -67.4 155.8 15.4 -98.8 33.4 297 56 B Q H > S+ 0 0 3 58,-0.7 4,-1.6 57,-0.4 3,-0.3 0.968 120.7 46.8 -57.1 -53.3 13.5 -101.9 34.5 298 57 B Y H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 48,-0.3 0.843 109.7 54.5 -56.7 -37.8 10.6 -99.8 35.8 299 58 B E H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 104.1 54.6 -63.4 -42.8 10.5 -97.8 32.6 300 59 B Y H X S+ 0 0 24 -4,-2.3 4,-2.7 -3,-0.3 -1,-0.2 0.904 108.1 50.0 -56.8 -42.9 10.2 -101.0 30.5 301 60 B L H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.876 109.0 50.3 -65.8 -41.5 7.2 -102.1 32.5 302 61 B N H X S+ 0 0 12 -4,-1.9 4,-3.5 2,-0.2 5,-0.2 0.974 113.1 46.7 -59.2 -50.9 5.4 -98.7 32.1 303 62 B D H X S+ 0 0 71 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.898 110.7 52.5 -59.2 -44.4 6.0 -98.9 28.3 304 63 B L H < S+ 0 0 27 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.921 115.8 40.9 -52.6 -47.3 4.8 -102.5 28.2 305 64 B F H >< S+ 0 0 2 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.879 110.9 55.3 -76.0 -36.3 1.7 -101.5 30.0 306 65 B M H 3< S+ 0 0 100 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.885 103.1 57.9 -59.0 -39.3 1.1 -98.2 28.1 307 66 B K T 3< S+ 0 0 75 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.446 110.9 43.5 -75.9 0.7 1.2 -100.1 24.8 308 67 B N X + 0 0 57 -3,-1.4 3,-2.0 3,-0.1 -1,-0.3 -0.391 59.0 157.3-142.8 62.6 -1.7 -102.3 25.9 309 68 B P T 3 S+ 0 0 88 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.739 72.2 70.5 -60.2 -24.9 -4.4 -100.1 27.5 310 69 B A T 3 S+ 0 0 85 1,-0.1 2,-0.8 -3,-0.1 -3,-0.0 0.792 85.2 79.5 -59.7 -29.4 -6.9 -102.8 26.8 311 70 B I < + 0 0 42 -3,-2.0 2,-0.3 -6,-0.2 -1,-0.1 -0.730 59.2 170.1 -94.0 106.8 -5.3 -105.0 29.4 312 71 B I + 0 0 112 -2,-0.8 4,-0.3 4,-0.0 26,-0.1 -0.821 41.7 34.7-113.7 151.6 -6.3 -104.2 33.0 313 72 B G S > S- 0 0 7 25,-0.4 4,-2.0 -2,-0.3 5,-0.2 0.255 85.3 -89.6 83.7 151.8 -5.5 -106.2 36.1 314 73 B H H > S+ 0 0 30 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.953 115.6 55.5 -66.3 -60.5 -2.5 -108.2 37.0 315 74 B E H > S+ 0 0 149 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.836 116.9 41.6 -40.7 -40.0 -3.2 -111.8 35.8 316 75 B A H >4 S+ 0 0 40 -4,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.878 113.1 49.5 -80.0 -39.9 -3.7 -110.2 32.3 317 76 B R H >< S+ 0 0 9 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.753 107.0 59.8 -69.9 -21.7 -0.8 -107.8 32.5 318 77 B Y H >X S+ 0 0 35 -4,-3.1 3,-1.0 1,-0.2 4,-0.5 0.748 96.8 58.6 -73.7 -26.3 1.2 -110.8 33.5 319 78 B K T << S+ 0 0 79 -3,-0.6 -1,-0.2 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