==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-AUG-09 3IPY . COMPND 2 MOLECULE: DEOXYCYTIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.W.TARI,R.V.SWANSON,M.HUNTER,I.HOFFMAN,T.R.STOUCH,K.G.CARSO . 450 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 10.2 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 . 37 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.1 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 2 2 4 2 0 0 2 1 0 1 2 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 6 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 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 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 20 A R 0 0 192 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.2 -10.1 -12.5 16.7 2 21 A I - 0 0 3 85,-0.1 2,-0.3 87,-0.1 87,-0.2 -0.569 360.0-129.2 -78.6 131.0 -8.7 -9.1 15.9 3 22 A K E -a 89 0A 58 85,-2.1 87,-3.1 -2,-0.3 2,-0.5 -0.637 22.9-145.7 -71.9 134.9 -6.6 -8.5 12.8 4 23 A K E +a 90 0A 10 -2,-0.3 135,-2.6 133,-0.2 136,-1.5 -0.941 22.0 174.7-108.4 124.9 -3.4 -6.7 13.7 5 24 A I E -ab 91 140A 0 85,-2.8 87,-3.6 -2,-0.5 2,-0.3 -0.992 15.4-152.4-130.1 125.0 -2.0 -4.2 11.2 6 25 A S E -ab 92 141A 0 134,-1.6 136,-3.5 -2,-0.4 2,-0.6 -0.766 9.3-142.0 -95.7 146.3 1.0 -1.9 11.7 7 26 A I E -ab 93 142A 0 85,-3.3 87,-2.7 -2,-0.3 2,-0.4 -0.942 27.7-174.3 -98.4 120.3 1.5 1.4 10.0 8 27 A E E + b 0 143A 0 134,-3.3 136,-3.2 -2,-0.6 2,-0.3 -0.940 16.7 125.4-120.0 143.4 5.2 1.8 9.1 9 28 A G E - b 0 144A 0 -2,-0.4 136,-0.1 134,-0.2 3,-0.1 -0.963 52.9 -75.7-177.9 171.3 7.1 4.7 7.6 10 29 A N S > S- 0 0 5 134,-0.5 3,-1.9 -2,-0.3 4,-0.4 -0.140 72.9 -61.3 -69.5 169.4 9.9 7.2 7.9 11 30 A I T 3 S- 0 0 20 1,-0.3 144,-0.2 2,-0.1 -1,-0.2 -0.286 122.5 -1.7 -57.2 134.1 9.9 10.2 10.2 12 31 A A T 3 S+ 0 0 12 -3,-0.1 -1,-0.3 142,-0.1 -2,-0.1 0.552 87.9 134.0 57.1 11.1 7.0 12.6 9.5 13 32 A A S < S- 0 0 0 -3,-1.9 -2,-0.1 1,-0.1 -1,-0.1 0.887 84.7 -94.5 -51.0 -39.7 5.9 10.4 6.5 14 33 A G S > S+ 0 0 9 -4,-0.4 4,-1.8 130,-0.0 5,-0.1 0.623 76.8 142.5 125.1 35.1 2.4 10.8 7.9 15 34 A K H > S+ 0 0 18 -5,-0.3 4,-3.3 2,-0.2 5,-0.2 0.939 81.9 45.2 -60.0 -49.4 1.6 7.8 10.1 16 35 A S H > S+ 0 0 57 2,-0.2 4,-3.3 1,-0.2 -1,-0.1 0.940 112.3 50.1 -62.5 -51.4 -0.4 10.0 12.6 17 36 A T H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 115.0 46.1 -48.7 -44.0 -2.2 11.9 9.8 18 37 A F H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.945 110.3 50.5 -68.2 -53.2 -3.1 8.5 8.4 19 38 A V H X S+ 0 0 12 -4,-3.3 4,-3.0 2,-0.2 -2,-0.2 0.898 107.6 58.0 -42.2 -48.4 -4.1 7.1 11.8 20 39 A N H < S+ 0 0 71 -4,-3.3 4,-0.4 1,-0.2 -2,-0.2 0.931 108.6 42.8 -53.0 -50.2 -6.2 10.2 12.0 21 40 A I H >< S+ 0 0 29 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.885 117.3 48.2 -63.0 -39.0 -8.1 9.3 8.8 22 41 A L H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 4,-0.2 0.877 104.9 55.5 -72.2 -40.9 -8.4 5.7 9.9 23 42 A K T 3< S+ 0 0 102 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.486 102.8 59.2 -75.1 -2.6 -9.7 6.2 13.5 24 43 A Q T < S+ 0 0 140 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.411 92.7 73.4-106.2 0.0 -12.6 8.2 12.2 25 44 A L S < S- 0 0 73 -3,-1.4 2,-0.2 1,-0.2 -2,-0.1 0.755 99.7 -5.6 -77.9-111.2 -14.2 5.6 10.0 26 45 A C > - 0 0 54 -4,-0.2 3,-2.1 1,-0.1 -1,-0.2 -0.615 58.5-122.9 -95.3 149.4 -16.0 2.6 11.6 27 46 A E T 3 S+ 0 0 170 1,-0.3 -1,-0.1 -2,-0.2 58,-0.1 0.739 108.4 68.1 -54.2 -28.6 -16.3 1.7 15.3 28 47 A D T 3 S+ 0 0 41 60,-0.1 61,-2.3 59,-0.0 2,-0.4 0.459 89.0 79.3 -75.5 -1.6 -14.8 -1.7 14.6 29 48 A W E < +c 89 0A 25 -3,-2.1 2,-0.3 59,-0.2 61,-0.2 -0.932 59.3 178.0-113.4 134.6 -11.4 -0.1 13.8 30 49 A E E -c 90 0A 81 59,-2.3 61,-3.4 -2,-0.4 2,-0.5 -0.960 17.7-142.7-136.9 147.3 -9.0 1.0 16.5 31 50 A V E -c 91 0A 23 -2,-0.3 61,-0.2 59,-0.2 59,-0.1 -0.947 2.7-153.7-116.7 128.1 -5.5 2.6 16.6 32 51 A V E -c 92 0A 9 59,-3.5 61,-2.3 -2,-0.5 42,-0.1 -0.874 27.8-140.0 -91.9 109.3 -2.8 1.9 19.1 33 52 A P - 0 0 62 0, 0.0 3,-0.0 0, 0.0 40,-0.0 -0.259 18.7-105.0 -72.6 160.0 -0.7 5.0 19.2 34 53 A E > - 0 0 8 1,-0.1 4,-2.3 58,-0.1 5,-0.1 -0.657 17.7-134.7 -88.4 135.0 3.1 4.9 19.4 35 54 A P H > S+ 0 0 10 0, 0.0 4,-3.1 0, 0.0 3,-0.2 0.943 107.7 45.7 -51.0 -58.6 4.9 5.7 22.7 36 55 A V H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 30,-0.0 0.819 110.2 58.3 -57.4 -32.0 7.6 8.0 21.2 37 56 A A H 4 S+ 0 0 27 2,-0.2 -1,-0.2 1,-0.2 -21,-0.0 0.947 110.0 42.0 -59.5 -50.5 4.7 9.6 19.2 38 57 A R H < S+ 0 0 143 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.958 111.1 56.2 -61.8 -50.2 3.0 10.4 22.5 39 58 A W H < S+ 0 0 27 -4,-3.1 -2,-0.2 -5,-0.1 -1,-0.2 0.913 86.2 94.2 -47.3 -53.0 6.2 11.5 24.2 40 59 A C < 0 0 18 -4,-2.2 5,-0.0 -5,-0.1 120,-0.0 -0.144 360.0 360.0 -55.1 132.4 6.9 14.1 21.5 41 60 A N 0 0 188 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.500 360.0 360.0-139.1 360.0 5.6 17.6 22.5 42 ! 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 43 77 A N 0 0 87 0, 0.0 2,-0.1 0, 0.0 300,-0.0 0.000 360.0 360.0 360.0 113.0 8.9 10.8 33.0 44 78 A G > + 0 0 12 299,-0.1 3,-1.8 0, 0.0 4,-0.1 -0.878 360.0 47.4 -69.9 -30.1 9.1 8.1 32.0 45 79 A G T > S+ 0 0 34 1,-0.3 3,-1.9 -2,-0.1 4,-0.3 0.504 87.7 96.0 -44.0 -8.9 8.9 9.7 28.5 46 80 A N T 3> + 0 0 69 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.567 60.1 81.2 -59.5 -17.7 11.5 12.2 29.8 47 81 A V H <> S+ 0 0 2 -3,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.818 83.5 65.3 -56.2 -30.9 14.2 9.9 28.3 48 82 A L H <> S+ 0 0 18 -3,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.937 99.0 48.2 -56.1 -50.6 13.2 11.8 25.1 49 83 A Q H > S+ 0 0 86 -4,-0.3 4,-1.7 -3,-0.3 -1,-0.2 0.894 112.9 49.2 -60.0 -41.2 14.5 15.1 26.5 50 84 A M H X S+ 0 0 17 -4,-1.6 4,-3.2 1,-0.2 -1,-0.2 0.859 106.6 55.6 -66.0 -36.9 17.7 13.3 27.5 51 85 A M H < S+ 0 0 24 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.863 105.8 52.7 -61.6 -35.9 17.9 11.8 23.9 52 86 A Y H < S+ 0 0 65 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.0 41.8 -64.6 -40.5 17.7 15.4 22.6 53 87 A E H < S- 0 0 137 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.889 137.2 -2.9 -73.6 -43.9 20.6 16.3 24.9 54 88 A K >X + 0 0 105 -4,-3.2 4,-1.7 -5,-0.1 3,-1.3 -0.572 53.8 177.2-158.4 87.5 22.9 13.2 24.4 55 89 A P H 3> S+ 0 0 39 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.803 84.4 61.8 -63.4 -31.6 21.9 10.2 22.3 56 90 A E H 34 S+ 0 0 104 1,-0.2 58,-0.1 2,-0.2 4,-0.1 0.698 111.8 40.3 -70.1 -18.9 25.2 8.4 22.8 57 91 A R H <4 S+ 0 0 22 -3,-1.3 4,-0.2 -7,-0.2 -1,-0.2 0.788 126.8 30.1 -89.7 -37.8 24.3 8.3 26.5 58 92 A W H X S+ 0 0 22 -4,-1.7 4,-3.2 -8,-0.2 3,-0.5 0.596 83.9 99.3-108.6 -12.2 20.6 7.5 26.3 59 93 A S H X S+ 0 0 0 -4,-2.6 4,-2.9 53,-0.3 5,-0.2 0.840 89.2 45.9 -42.1 -51.4 20.0 5.5 23.2 60 94 A F H > S+ 0 0 2 52,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.879 116.2 44.6 -65.2 -41.4 19.9 2.1 25.0 61 95 A T H > S+ 0 0 1 -3,-0.5 4,-2.1 -4,-0.2 -2,-0.2 0.918 116.1 48.1 -68.0 -43.4 17.6 3.4 27.8 62 96 A F H X S+ 0 0 27 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.901 114.0 44.7 -63.0 -46.8 15.4 5.2 25.3 63 97 A Q H X S+ 0 0 9 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.865 113.0 51.6 -70.3 -37.6 15.0 2.2 23.0 64 98 A T H X S+ 0 0 5 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.900 114.9 41.5 -64.9 -42.2 14.4 -0.2 25.9 65 99 A Y H X S+ 0 0 33 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.918 112.0 54.6 -75.7 -42.7 11.7 2.0 27.4 66 100 A A H X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.906 112.3 44.6 -52.1 -47.1 10.1 2.8 24.0 67 101 A C H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.896 111.9 50.5 -70.8 -41.9 9.8 -0.9 23.2 68 102 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.902 111.9 49.1 -60.4 -44.0 8.5 -1.9 26.6 69 103 A S H X S+ 0 0 13 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.915 111.7 49.3 -62.2 -44.4 5.8 0.8 26.4 70 104 A R H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.936 111.6 48.3 -57.9 -49.9 4.8 -0.3 22.9 71 105 A I H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.923 114.8 45.6 -61.0 -45.3 4.6 -4.0 24.0 72 106 A R H X S+ 0 0 60 -4,-2.5 4,-3.4 2,-0.2 -2,-0.2 0.962 113.7 48.6 -57.8 -55.2 2.5 -3.0 27.1 73 107 A A H X S+ 0 0 30 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.849 112.4 48.2 -57.2 -40.4 0.2 -0.7 25.1 74 108 A Q H X S+ 0 0 4 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.894 114.6 44.3 -72.4 -42.5 -0.4 -3.2 22.4 75 109 A L H >X>S+ 0 0 33 -4,-2.1 4,-1.4 -5,-0.2 3,-0.9 0.935 110.0 58.1 -62.3 -47.5 -1.2 -6.0 24.8 76 110 A A H 3X5S+ 0 0 68 -4,-3.4 4,-1.6 1,-0.2 -2,-0.2 0.920 108.2 46.5 -41.3 -52.6 -3.4 -3.5 26.7 77 111 A S H 3<>S+ 0 0 15 -4,-2.0 5,-0.5 -5,-0.2 -1,-0.2 0.651 116.7 42.6 -74.1 -21.4 -5.4 -2.9 23.6 78 112 A L H <<5S+ 0 0 6 -4,-1.0 4,-0.4 -3,-0.9 5,-0.3 0.929 120.3 34.2 -82.6 -74.3 -5.9 -6.6 22.7 79 113 A N H <5S+ 0 0 150 -4,-1.4 2,-0.7 2,-0.1 -3,-0.2 0.764 102.4 82.4 -58.2 -32.9 -6.7 -8.4 25.9 80 114 A G T < - 0 0 2 -89,-0.1 4,-2.3 1,-0.0 5,-0.1 -0.950 25.7 -91.9-154.1 168.6 5.9 -2.2 15.6 96 130 A V H > S+ 0 0 3 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.721 122.5 58.6 -56.5 -22.1 8.4 -4.0 17.8 97 131 A Y H > S+ 0 0 4 2,-0.2 4,-3.5 3,-0.2 5,-0.5 0.934 105.6 43.1 -78.0 -48.5 10.2 -4.8 14.5 98 132 A S H >>S+ 0 0 0 1,-0.2 5,-2.4 2,-0.2 4,-1.7 0.897 109.6 61.7 -62.6 -37.6 10.8 -1.2 13.3 99 133 A D H <>S+ 0 0 7 -4,-2.3 5,-2.9 3,-0.2 -1,-0.2 0.913 119.2 25.6 -45.5 -49.7 11.8 -0.5 16.9 100 134 A R H <>S+ 0 0 6 -4,-1.2 5,-2.1 3,-0.2 -2,-0.2 0.945 128.8 36.7 -86.2 -55.6 14.6 -3.0 16.5 101 135 A Y H <5S+ 0 0 23 -4,-3.5 -3,-0.2 3,-0.2 -2,-0.1 0.665 128.8 27.5 -84.4 -18.9 15.5 -3.2 12.8 102 136 A I T X5S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.5 -3,-0.2 0.825 132.3 21.8-100.6 -58.9 15.1 0.4 11.8 103 137 A F H >S+ 0 0 22 -4,-2.1 5,-3.1 2,-0.2 6,-0.7 0.864 109.6 47.1 -69.3 -37.1 21.4 4.0 16.6 108 142 A Y H ><5S+ 0 0 57 -4,-2.0 3,-1.6 4,-0.2 -2,-0.2 0.901 110.5 51.0 -67.4 -46.1 24.0 1.2 16.9 109 143 A E H 3<5S+ 0 0 116 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.814 109.4 51.9 -62.9 -27.8 25.3 1.8 13.4 110 144 A S T 3<5S- 0 0 49 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.305 119.6-112.3 -91.4 9.0 25.7 5.5 14.2 111 145 A E T < 5S+ 0 0 168 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.731 84.2 122.3 66.6 28.8 27.7 4.6 17.4 112 146 A C S - 0 0 53 -2,-0.4 4,-2.7 -58,-0.1 5,-0.2 -0.270 37.5 -88.7 -85.6 178.9 28.1 0.1 21.7 115 149 A E H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 127.5 47.4 -52.4 -46.1 28.5 -3.6 21.0 116 150 A T H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 111.8 48.8 -69.5 -44.0 27.4 -4.5 24.6 117 151 A E H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.951 114.3 47.4 -54.9 -49.2 24.4 -2.2 24.6 118 152 A W H X S+ 0 0 24 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.856 113.0 46.6 -66.0 -39.1 23.3 -3.6 21.2 119 153 A T H X S+ 0 0 71 -4,-2.4 4,-3.2 -5,-0.2 -1,-0.2 0.918 113.6 48.8 -69.6 -44.6 23.7 -7.2 22.1 120 154 A I H X S+ 0 0 2 -4,-2.5 4,-3.5 -5,-0.2 5,-0.2 0.950 111.0 50.9 -59.6 -48.0 21.9 -6.8 25.4 121 155 A Y H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.898 113.3 44.9 -55.8 -45.4 19.1 -5.0 23.6 122 156 A Q H X S+ 0 0 48 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.955 112.9 50.0 -64.3 -52.5 18.8 -7.8 21.0 123 157 A D H X S+ 0 0 37 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.948 115.3 45.6 -46.2 -54.2 18.9 -10.5 23.7 124 158 A W H X S+ 0 0 3 -4,-3.5 4,-2.3 -5,-0.2 -2,-0.2 0.889 114.3 47.5 -57.6 -43.5 16.2 -8.5 25.6 125 159 A H H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.922 111.1 50.1 -67.5 -46.3 14.1 -8.0 22.4 126 160 A D H X S+ 0 0 38 -4,-3.3 4,-1.3 2,-0.2 -2,-0.2 0.950 113.5 45.9 -54.3 -56.0 14.3 -11.6 21.3 127 161 A W H >X S+ 0 0 28 -4,-2.2 4,-1.9 -5,-0.3 3,-0.9 0.941 109.6 53.2 -54.3 -56.5 13.3 -12.9 24.7 128 162 A M H 3X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.864 108.6 52.3 -46.7 -42.2 10.4 -10.4 25.1 129 163 A N H 3X S+ 0 0 11 -4,-1.9 4,-0.6 1,-0.2 5,-0.3 0.795 106.7 51.1 -71.0 -30.3 9.0 -11.5 21.8 130 164 A N H << S+ 0 0 109 -4,-1.3 4,-0.3 -3,-0.9 -1,-0.2 0.869 115.7 42.2 -71.5 -36.6 9.0 -15.2 22.7 131 165 A Q H < S+ 0 0 79 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.879 137.2 9.8 -77.8 -42.5 7.1 -14.6 25.9 132 166 A F H < S+ 0 0 28 -4,-2.3 4,-0.2 -5,-0.2 -1,-0.2 -0.162 107.7 90.5-132.2 36.9 4.5 -12.1 24.8 133 167 A G >< + 0 0 4 -4,-0.6 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-1,-0.1 0.819 84.6 -88.9 -62.0 -30.6 29.1 -12.7 53.3 241 33 B G S > S+ 0 0 7 -4,-0.3 4,-2.8 130,-0.0 5,-0.2 0.547 81.7 140.1 128.3 23.1 29.6 -16.3 52.1 242 34 B K H > S+ 0 0 16 -5,-0.3 4,-2.9 2,-0.2 5,-0.2 0.906 78.6 45.8 -51.7 -50.5 26.7 -17.0 49.7 243 35 B S H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.924 113.8 48.1 -64.0 -49.4 29.0 -19.0 47.3 244 36 B T H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.943 114.0 48.1 -52.0 -50.1 30.6 -21.0 50.0 245 37 B F H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.902 111.5 48.6 -61.3 -46.1 27.1 -21.7 51.5 246 38 B V H X S+ 0 0 11 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.846 107.4 57.6 -57.8 -40.1 25.8 -22.7 48.0 247 39 B N H < S+ 0 0 73 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.850 109.9 44.0 -60.3 -37.1 28.9 -24.9 47.7 248 40 B I H >X S+ 0 0 30 -4,-1.7 3,-1.0 -3,-0.2 4,-0.6 0.932 116.4 46.4 -72.1 -47.6 27.9 -26.7 50.9 249 41 B L H >< S+ 0 0 1 -4,-2.6 3,-1.1 1,-0.2 4,-0.5 0.887 106.4 56.6 -62.5 -42.4 24.2 -27.0 49.9 250 42 B K T 3< S+ 0 0 100 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.1 0.540 102.4 59.9 -72.4 -3.3 24.8 -28.2 46.3 251 43 B Q T <4 S+ 0 0 142 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.732 88.5 72.4 -93.7 -25.4 26.8 -31.2 47.6 252 44 B L S << S- 0 0 75 -3,-1.1 2,-0.3 -4,-0.6 -2,-0.1 0.942 98.0 -13.1 -65.9 -60.7 24.2 -32.9 49.8 253 45 B C > - 0 0 61 -4,-0.5 3,-1.1 3,-0.1 -1,-0.1 -0.929 53.4-106.5-148.1 164.2 21.5 -34.6 47.6 254 46 B E T 3 S+ 0 0 179 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.866 114.1 56.6 -48.5 -45.8 19.8 -35.2 44.2 255 47 B D T 3 S+ 0 0 33 60,-0.1 61,-3.2 57,-0.1 2,-0.5 0.534 94.4 77.0 -77.0 -8.7 16.7 -33.2 45.2 256 48 B W E < +g 316 0B 27 -3,-1.1 2,-0.3 59,-0.2 61,-0.2 -0.917 56.2 167.8-110.1 126.4 18.6 -30.0 46.0 257 49 B E E -g 317 0B 99 59,-1.9 61,-3.0 -2,-0.5 2,-0.4 -0.980 22.9-138.0-139.0 143.7 19.8 -27.8 43.2 258 50 B V E -g 318 0B 19 -2,-0.3 61,-0.2 59,-0.2 59,-0.0 -0.838 1.9-150.8-108.3 140.5 21.2 -24.2 43.1 259 51 B V E -g 319 0B 9 59,-3.8 61,-2.3 -2,-0.4 42,-0.1 -0.878 27.9-141.9-106.3 98.4 20.5 -21.4 40.7 260 52 B P - 0 0 65 0, 0.0 40,-0.0 0, 0.0 3,-0.0 -0.088 19.2-103.9 -62.7 158.7 23.7 -19.3 40.6 261 53 B E > - 0 0 10 1,-0.1 4,-2.1 58,-0.1 3,-0.4 -0.669 17.1-133.3 -88.6 133.4 23.5 -15.5 40.4 262 54 B P H > S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.914 108.9 46.2 -45.6 -55.6 24.3 -13.7 37.0 263 55 B V H > S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 30,-0.0 0.782 108.5 58.5 -65.3 -27.0 26.6 -11.1 38.6 264 56 B A H 4 S+ 0 0 28 -3,-0.4 -1,-0.2 2,-0.2 -21,-0.0 0.930 108.9 44.6 -62.4 -46.8 28.3 -14.0 40.5 265 57 B R H < S+ 0 0 157 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.934 107.9 57.2 -64.6 -46.8 29.1 -15.7 37.2 266 58 B W H < S+ 0 0 23 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.913 83.1 100.2 -50.7 -50.3 30.3 -12.5 35.5 267 59 B C < 0 0 18 -4,-1.6 5,-0.0 -5,-0.1 120,-0.0 -0.103 360.0 360.0 -52.3 126.2 33.0 -11.8 38.2 268 60 B N 0 0 191 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.607 360.0 360.0-135.7 360.0 36.4 -12.9 37.0 269 ! 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 0.0 270 77 B N > 0 0 111 0, 0.0 3,-1.4 0, 0.0 -154,-0.0 0.000 360.0 360.0 360.0 -35.9 30.0 -12.1 26.4 271 78 B G G > + 0 0 14 1,-0.3 3,-1.6 2,-0.1 4,-0.1 0.746 360.0 80.7 -44.1 -41.9 27.2 -9.8 27.7 272 79 B G G > + 0 0 41 1,-0.3 3,-1.5 2,-0.1 4,-0.4 0.399 63.7 102.7 -48.1 3.3 28.5 -9.8 31.3 273 80 B N G <> + 0 0 69 -3,-1.4 4,-1.3 1,-0.3 -1,-0.3 0.571 58.3 79.5 -60.2 -17.8 30.8 -7.2 29.7 274 81 B V H <> S+ 0 0 2 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.788 82.9 64.9 -62.1 -28.6 28.6 -4.6 31.5 275 82 B L H <> S+ 0 0 18 -3,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.919 99.0 49.2 -59.2 -48.9 30.6 -5.5 34.6 276 83 B Q H > S+ 0 0 112 -4,-0.4 4,-1.0 -3,-0.2 -1,-0.2 0.872 111.7 50.0 -60.2 -39.5 33.8 -4.1 33.2 277 84 B M H X S+ 0 0 15 -4,-1.3 4,-2.9 1,-0.2 3,-0.4 0.872 106.6 54.8 -66.8 -39.4 32.0 -0.9 32.3 278 85 B M H < S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.803 103.9 57.0 -60.3 -32.8 30.5 -0.6 35.8 279 86 B Y H < S+ 0 0 77 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.808 114.5 37.4 -68.5 -32.7 34.1 -0.8 37.1 280 87 B E H < S+ 0 0 134 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.1 0.902 136.9 4.9 -84.4 -48.4 35.1 2.2 35.1 281 88 B K >X + 0 0 111 -4,-2.9 4,-1.5 1,-0.1 3,-0.9 -0.670 56.8 173.7-147.1 83.3 31.9 4.4 35.2 282 89 B P H 3> S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.798 82.4 60.6 -62.8 -32.8 29.0 3.3 37.5 283 90 B E H 34 S+ 0 0 101 1,-0.2 4,-0.2 2,-0.2 58,-0.1 0.788 111.3 42.5 -64.1 -28.5 27.0 6.6 36.9 284 91 B R H <4 S+ 0 0 22 -3,-0.9 4,-0.2 -7,-0.2 -1,-0.2 0.839 124.7 30.9 -82.2 -37.4 27.0 5.7 33.2 285 92 B W H X S+ 0 0 20 -4,-1.5 4,-3.0 -8,-0.2 5,-0.2 0.510 84.6 98.4-109.8 -6.5 26.2 2.0 33.4 286 93 B S H X S+ 0 0 0 -4,-2.1 4,-2.9 53,-0.4 5,-0.3 0.870 88.1 45.8 -52.4 -50.1 24.1 1.3 36.5 287 94 B F H > S+ 0 0 2 52,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.888 116.8 45.0 -62.6 -42.5 20.7 1.2 34.7 288 95 B T H > S+ 0 0 1 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.902 115.2 49.1 -66.3 -42.3 22.1 -1.0 32.0 289 96 B F H X S+ 0 0 27 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.938 114.6 42.2 -64.0 -51.4 23.9 -3.3 34.5 290 97 B Q H X S+ 0 0 10 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.835 114.2 52.8 -66.3 -37.6 20.9 -3.7 36.8 291 98 B T H X S+ 0 0 5 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.925 114.5 41.1 -62.7 -47.4 18.5 -4.2 33.9 292 99 B Y H X S+ 0 0 38 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.932 113.5 53.5 -69.8 -45.2 20.6 -6.9 32.4 293 100 B A H X S+ 0 0 9 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.930 111.3 45.4 -51.2 -52.9 21.4 -8.6 35.7 294 101 B C H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.871 113.1 49.0 -64.9 -40.9 17.7 -8.9 36.6 295 102 B L H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.888 112.4 49.3 -64.8 -41.7 16.7 -10.2 33.2 296 103 B S H X S+ 0 0 11 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.932 112.6 48.8 -61.3 -45.8 19.5 -12.7 33.4 297 104 B R H X S+ 0 0 4 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.937 110.3 50.6 -56.5 -50.4 18.3 -13.7 36.8 298 105 B I H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.904 113.1 44.7 -59.1 -44.3 14.7 -14.0 35.7 299 106 B R H X S+ 0 0 79 -4,-2.2 4,-3.9 2,-0.2 -1,-0.2 0.936 113.3 48.7 -67.4 -47.5 15.5 -16.3 32.8 300 107 B A H X S+ 0 0 41 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.879 113.8 47.6 -59.7 -39.6 17.9 -18.6 34.6 301 108 B Q H X S+ 0 0 4 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.904 116.3 43.5 -69.7 -42.1 15.4 -19.0 37.5 302 109 B L H >< S+ 0 0 26 -4,-2.3 3,-1.1 -5,-0.2 4,-0.5 0.973 113.3 52.1 -62.5 -55.6 12.6 -19.7 35.1 303 110 B A H >< S+ 0 0 68 -4,-3.9 3,-2.0 1,-0.2 -2,-0.2 0.921 108.4 52.4 -39.0 -56.0 14.9 -22.0 33.0 304 111 B S H >< S+ 0 0 34 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.711 94.4 68.3 -63.5 -26.7 15.7 -23.9 36.2 305 112 B L T << S+ 0 0 10 -3,-1.1 -1,-0.3 -4,-1.1 2,-0.2 0.622 89.6 74.0 -64.6 -12.3 12.1 -24.5 37.2 306 113 B N T < S+ 0 0 113 -3,-2.0 -1,-0.2 -4,-0.5 2,-0.1 -0.323 79.7 140.0-109.6 49.5 11.9 -26.8 34.2 307 114 B G S < S- 0 0 16 -3,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.307 82.5-121.3 -74.8 178.0 13.9 -30.0 35.2 308 115 B K S S+ 0 0 211 -2,-0.1 -2,-0.1 1,-0.1 -1,-0.0 -0.885 113.3 73.5 39.4 41.4 14.4 -32.9 35.3 309 116 B L + 0 0 16 -2,-0.2 2,-0.1 -4,-0.1 -1,-0.1 -0.008 55.1 107.8-179.2 -17.6 14.2 -31.9 39.0 310 117 B K S S+ 0 0 104 -81,-0.1 2,-0.3 2,-0.0 3,-0.3 0.314 74.4 111.6 -54.0 11.8 10.4 -31.4 39.1 311 118 B D + 0 0 95 1,-0.2 -3,-0.1 -2,-0.1 -82,-0.0 -0.978 42.8 25.4-155.6 153.5 10.5 -34.7 41.2 312 119 B A S S- 0 0 42 -2,-0.3 2,-2.5 3,-0.1 -1,-0.2 0.312 84.2 -90.2-122.8 127.3 10.3 -36.2 43.5 313 120 B E S S+ 0 0 182 -3,-0.3 -2,-0.0 1,-0.2 -3,-0.0 0.186 120.5 43.6 57.7 -18.3 7.9 -34.9 46.2 314 121 B K S S+ 0 0 148 -2,-2.5 2,-0.3 2,-0.0 -1,-0.2 -0.191 72.0 153.9-143.0 56.1 10.6 -32.8 48.0 315 122 B P - 0 0 2 0, 0.0 -85,-2.1 0, 0.0 2,-0.4 -0.628 24.4-161.5 -79.7 137.9 12.6 -31.0 45.3 316 123 B V E -eg 230 256B 4 -61,-3.2 -59,-1.9 -2,-0.3 2,-0.5 -0.979 9.3-161.0-125.1 133.3 14.2 -27.8 46.5 317 124 B L E -eg 231 257B 2 -87,-3.5 -85,-3.0 -2,-0.4 2,-0.6 -0.962 8.9-156.0-114.4 120.6 15.6 -25.0 44.3 318 125 B F E -eg 232 258B 0 -61,-3.0 -59,-3.8 -2,-0.5 2,-0.5 -0.870 5.8-155.6 -99.1 119.5 18.0 -22.6 45.9 319 126 B F E -eg 233 259B 0 -87,-4.1 -85,-3.2 -2,-0.6 2,-1.0 -0.832 16.5-134.5 -94.3 125.9 18.2 -19.1 44.4 320 127 B E E S-e 234 0B 7 -61,-2.3 -85,-0.1 -2,-0.5 -56,-0.1 -0.731 81.5 -33.3 -73.9 104.9 21.5 -17.2 44.9 321 128 B R S S- 0 0 16 -87,-2.2 2,-0.2 -2,-1.0 -87,-0.2 0.058 81.6-115.6 58.6-177.8 19.7 -13.9 45.8 322 129 B S > - 0 0 2 -89,-0.1 4,-1.8 1,-0.0 5,-0.1 -0.818 25.9 -92.8-143.0 177.6 16.4 -12.8 44.3 323 130 B V H > S+ 0 0 2 -2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.788 122.1 58.9 -66.3 -23.7 14.6 -10.3 42.1 324 131 B Y H >>S+ 0 0 4 2,-0.2 4,-3.5 1,-0.2 5,-0.5 0.952 104.5 44.5 -73.7 -49.4 13.8 -8.4 45.3 325 132 B S H >>S+ 0 0 0 1,-0.2 5,-2.5 2,-0.2 4,-1.5 0.880 107.5 62.5 -62.3 -36.6 17.4 -7.9 46.5 326 133 B D H <>S+ 0 0 5 -4,-1.8 5,-2.9 3,-0.2 -1,-0.2 0.905 120.3 23.7 -45.8 -46.1 18.2 -6.9 42.9 327 134 B R H <>S+ 0 0 9 -4,-1.1 5,-2.1 -3,-0.5 -2,-0.2 0.923 128.5 38.4 -93.2 -52.3 15.8 -4.0 43.3 328 135 B Y H <5S+ 0 0 24 -4,-3.5 -3,-0.2 3,-0.2 -2,-0.1 0.616 129.4 26.9 -84.6 -18.2 15.4 -3.1 47.0 329 136 B I T XS+ 0 0 23 -4,-2.3 5,-3.0 1,-0.2 6,-0.8 0.822 107.4 48.7 -64.9 -32.2 22.6 2.8 43.2 335 142 B Y H ><5S+ 0 0 55 -4,-1.7 3,-1.4 4,-0.2 -1,-0.2 0.869 108.9 52.3 -70.9 -40.5 19.9 5.4 42.9 336 143 B E H 3<5S+ 0 0 113 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.719 109.1 51.0 -69.9 -18.2 20.6 6.7 46.4 337 144 B S T 3<5S- 0 0 51 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.292 119.6-111.7 -99.6 6.6 24.2 7.1 45.4 338 145 B E T < 5S+ 0 0 165 -3,-1.4 -3,-0.2 2,-0.2 3,-0.1 0.890 84.2 122.3 61.3 44.7 23.3 9.0 42.3 339 146 B C S - 0 0 57 -2,-0.3 4,-2.9 -58,-0.1 5,-0.2 -0.348 36.9 -89.9 -85.4 173.8 18.8 9.4 38.1 342 149 B E H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 128.2 47.1 -44.1 -49.9 15.1 9.8 38.9 343 150 B T H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 111.7 47.5 -66.3 -50.2 14.1 8.8 35.3 344 151 B E H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.913 115.1 49.1 -52.8 -42.8 16.4 5.7 35.2 345 152 B W H X S+ 0 0 25 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.878 111.3 47.6 -69.9 -40.1 15.1 4.7 38.6 346 153 B T H X S+ 0 0 58 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.892 113.7 48.1 -64.2 -43.9 11.4 5.2 37.6 347 154 B I H X S+ 0 0 2 -4,-2.6 4,-3.5 2,-0.2 5,-0.2 0.948 110.6 51.1 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