==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-APR-97 2VTK . COMPND 2 MOLECULE: THYMIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HERPES SIMPLEX VIRUS (TYPE 1 / STRAIN . AUTHOR K.WILD,G.E.SCHULZ . 313 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.2 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 . 1 0.3 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 . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 41.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 1 0 0 2 2 1 0 0 2 0 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 1 1 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 0 0 1 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 46 A M 0 0 189 0, 0.0 2,-0.1 0, 0.0 289,-0.0 0.000 360.0 360.0 360.0 121.8 48.8 16.2 67.7 2 47 A P - 0 0 58 0, 0.0 289,-0.7 0, 0.0 2,-0.4 -0.355 360.0-139.9 -78.6 161.1 49.0 18.1 64.4 3 48 A T E -A 290 0A 15 104,-0.4 106,-1.8 287,-0.2 107,-1.1 -0.956 6.5-154.6-127.7 146.7 46.2 18.2 61.9 4 49 A L E -Ab 289 110A 1 285,-2.6 285,-2.0 -2,-0.4 2,-0.4 -0.868 6.2-155.5-114.5 144.2 46.0 18.0 58.2 5 50 A L E -Ab 288 111A 1 105,-1.8 107,-2.7 -2,-0.4 2,-0.5 -0.993 9.6-165.1-120.9 130.7 43.2 19.5 56.1 6 51 A R E - b 0 112A 3 281,-0.6 149,-1.1 147,-0.5 2,-0.4 -0.978 6.2-176.8-123.4 120.7 42.6 17.9 52.7 7 52 A V E -cb 155 113A 0 105,-3.0 107,-3.4 -2,-0.5 2,-0.7 -0.954 10.5-160.7-118.0 132.0 40.5 19.7 50.1 8 53 A Y E -cb 156 114A 5 147,-2.5 149,-2.9 -2,-0.4 2,-0.6 -0.915 6.7-158.3-114.4 104.8 39.6 18.3 46.6 9 54 A I E +cb 157 115A 0 105,-2.6 107,-2.6 -2,-0.7 2,-0.2 -0.744 34.9 144.4 -82.0 124.9 38.5 20.9 44.2 10 55 A D + 0 0 1 147,-2.3 149,-0.3 -2,-0.6 146,-0.0 -0.713 4.5 110.9-141.8-163.6 36.5 19.0 41.5 11 56 A G S S- 0 0 1 -2,-0.2 4,-0.1 147,-0.2 178,-0.1 -0.512 74.7 -28.0 111.1 171.5 33.6 19.3 39.2 12 57 A P S S- 0 0 12 0, 0.0 3,-0.2 0, 0.0 147,-0.1 -0.209 78.4 -91.4 -56.1 150.1 33.3 19.6 35.4 13 58 A H S S+ 0 0 17 1,-0.2 157,-0.1 2,-0.1 176,-0.0 -0.216 99.1 29.8 -68.4 151.8 36.2 21.2 33.5 14 59 A G S S+ 0 0 11 155,-0.1 -1,-0.2 156,-0.0 157,-0.1 0.915 78.4 116.2 68.7 50.6 36.5 24.9 32.6 15 60 A M S S- 0 0 5 -3,-0.2 -2,-0.1 154,-0.1 145,-0.1 0.599 95.2 -85.3-118.2 -23.6 34.5 26.4 35.5 16 61 A G S > S+ 0 0 16 153,-0.1 4,-2.9 143,-0.0 5,-0.3 0.428 84.2 133.6 125.2 10.5 37.2 28.4 37.3 17 62 A K H > S+ 0 0 10 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.916 80.8 36.8 -56.2 -48.4 38.7 25.6 39.4 18 63 A T H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.975 116.9 52.5 -69.9 -51.4 42.3 26.5 38.5 19 64 A T H > S+ 0 0 75 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.856 113.5 43.8 -51.3 -41.7 41.7 30.3 38.5 20 65 A T H X S+ 0 0 3 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.829 113.8 46.4 -79.3 -31.6 40.1 30.2 41.9 21 66 A T H X S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.3 5,-0.2 0.863 107.2 57.1 -79.4 -33.8 42.6 27.9 43.8 22 67 A Q H < S+ 0 0 65 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.799 110.5 45.8 -66.2 -25.5 45.7 29.7 42.4 23 68 A L H < S+ 0 0 57 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.845 108.2 57.9 -80.4 -37.1 44.3 32.9 44.0 24 69 A L H >< S+ 0 0 3 -4,-1.4 3,-0.6 1,-0.3 -2,-0.2 0.942 110.6 41.3 -57.4 -50.9 43.5 31.0 47.2 25 70 A V G >< S+ 0 0 46 -4,-2.7 3,-0.8 1,-0.2 4,-0.5 0.699 102.3 76.1 -72.0 -14.9 47.1 30.0 47.6 26 71 A A G 3 + 0 0 67 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.031 65.4 91.6 -87.7 33.0 48.1 33.5 46.5 27 72 A L G < S- 0 0 90 -3,-0.6 -1,-0.2 -2,-0.2 3,-0.1 0.360 104.8-109.3-103.7 4.6 47.2 35.2 49.8 28 73 A G < + 0 0 69 -3,-0.8 2,-2.4 1,-0.2 -2,-0.1 0.833 54.0 173.3 69.9 33.9 50.7 34.7 51.1 29 74 A S >> - 0 0 39 -4,-0.5 3,-0.8 -5,-0.2 4,-0.6 -0.335 40.6-114.1 -75.9 61.9 49.4 32.1 53.5 30 75 A R T 34 - 0 0 206 -2,-2.4 3,-0.2 1,-0.2 -1,-0.1 0.023 54.7 -56.6 42.6-146.3 52.9 31.0 54.7 31 76 A D T 34 S+ 0 0 94 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.120 116.5 92.7-110.6 13.8 54.0 27.5 53.9 32 77 A D T <4 S+ 0 0 30 -3,-0.8 79,-2.3 78,-0.1 2,-0.5 0.543 76.6 66.6 -86.9 -6.3 51.0 25.9 55.5 33 78 A I E < -d 111 0A 28 -4,-0.6 2,-0.4 -3,-0.2 79,-0.2 -0.962 61.8-179.2-121.7 120.8 49.0 25.8 52.3 34 79 A V E -d 112 0A 9 77,-2.9 79,-3.2 -2,-0.5 2,-0.5 -0.937 14.8-149.7-120.5 139.8 50.0 23.6 49.3 35 80 A Y E -d 113 0A 18 -2,-0.4 79,-0.2 77,-0.2 273,-0.1 -0.928 3.0-156.9-110.5 123.3 48.4 23.3 45.9 36 81 A V E -d 114 0A 4 77,-3.2 79,-1.4 -2,-0.5 2,-0.1 -0.905 24.2-150.1-101.4 108.8 48.6 20.0 44.0 37 82 A P - 0 0 3 0, 0.0 78,-0.1 0, 0.0 274,-0.1 -0.344 27.9 -79.5 -78.3 162.2 48.0 20.8 40.3 38 83 A E - 0 0 18 277,-0.8 2,-2.1 1,-0.1 275,-0.6 -0.322 45.4-123.7 -58.6 127.7 46.6 18.8 37.5 39 84 A P >> + 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.360 51.9 153.8 -78.8 64.7 49.3 16.4 36.3 40 85 A M H 3> + 0 0 6 -2,-2.1 4,-2.8 1,-0.3 5,-0.3 0.853 68.0 58.0 -60.9 -39.8 49.2 17.6 32.7 41 86 A T H 3>>S+ 0 0 42 270,-1.3 4,-1.9 -3,-0.3 5,-1.9 0.839 105.7 49.6 -63.4 -31.4 52.8 16.5 32.1 42 87 A Y H <4>S+ 0 0 43 -3,-0.6 5,-3.0 269,-0.6 6,-0.8 0.961 114.5 45.2 -70.1 -46.3 51.9 12.9 33.0 43 88 A W H <5S+ 0 0 11 -4,-1.9 8,-1.9 1,-0.2 -2,-0.2 0.825 121.9 36.5 -63.0 -39.0 49.0 13.0 30.6 44 89 A R H <5S- 0 0 65 -4,-2.8 6,-1.5 6,-0.2 -1,-0.2 0.725 138.5 -4.9 -90.7 -21.9 50.8 14.6 27.8 45 90 A V T <5S+ 0 0 98 -4,-1.9 -3,-0.2 -5,-0.3 -4,-0.1 0.599 121.4 50.3-133.8 -65.9 54.2 13.0 28.1 46 91 A L T S+ 0 0 68 -6,-1.5 4,-2.3 -2,-0.5 -1,-0.2 0.898 70.1 170.4 44.0 61.3 48.8 13.7 24.3 51 96 A T H > S+ 0 0 3 -8,-1.9 4,-2.8 -3,-0.4 5,-0.2 0.917 74.6 55.8 -66.3 -43.1 46.1 11.7 26.0 52 97 A I H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 111.5 46.6 -57.0 -35.6 43.7 14.6 26.3 53 98 A A H > S+ 0 0 21 123,-0.3 4,-2.8 2,-0.2 5,-0.3 0.910 107.7 56.1 -67.9 -46.7 44.0 14.8 22.6 54 99 A N H X S+ 0 0 66 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.946 110.2 46.2 -50.8 -50.1 43.6 11.1 22.2 55 100 A I H X S+ 0 0 8 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.944 115.0 42.9 -60.1 -57.7 40.2 11.3 24.1 56 101 A Y H X S+ 0 0 20 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.829 116.6 48.9 -62.0 -32.5 38.7 14.3 22.2 57 102 A T H X S+ 0 0 44 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.964 110.9 50.6 -69.4 -52.4 39.9 13.0 18.9 58 103 A T H X S+ 0 0 10 -4,-2.9 4,-1.8 -5,-0.3 -2,-0.2 0.798 109.8 48.7 -55.6 -36.9 38.5 9.5 19.6 59 104 A Q H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.907 112.4 52.0 -71.2 -37.5 35.1 10.8 20.6 60 105 A H H X S+ 0 0 78 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.970 109.0 45.6 -60.9 -59.7 35.1 12.9 17.4 61 106 A R H <>S+ 0 0 104 -4,-2.7 5,-2.8 1,-0.2 6,-0.5 0.926 113.2 53.0 -51.2 -44.6 35.9 10.1 15.0 62 107 A L H ><5S+ 0 0 27 -4,-1.8 3,-2.1 -5,-0.3 5,-0.2 0.958 109.4 47.6 -55.2 -51.9 33.2 8.1 16.7 63 108 A D H 3<5S+ 0 0 94 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.810 109.6 53.4 -58.2 -34.7 30.7 10.9 16.3 64 109 A Q T 3<5S- 0 0 118 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.264 118.2-115.2 -82.6 8.3 31.7 11.2 12.6 65 110 A G T < 5S+ 0 0 64 -3,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.826 80.5 126.1 61.8 35.5 31.0 7.5 12.3 66 111 A E S - 0 0 60 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.480 31.6-111.9 -81.7 160.7 32.7 1.7 15.9 69 114 A A H > S+ 0 0 56 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.872 120.6 59.3 -57.2 -33.6 31.5 2.2 19.5 70 115 A G H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.939 106.7 43.3 -60.4 -48.4 33.6 -0.9 20.2 71 116 A D H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.813 114.0 52.1 -67.1 -34.3 36.9 0.7 19.0 72 117 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.988 107.9 52.0 -64.2 -54.7 36.0 4.0 20.8 73 118 A A H X S+ 0 0 10 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.817 106.8 52.1 -50.0 -43.6 35.4 2.2 24.0 74 119 A V H X S+ 0 0 101 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.959 115.2 41.0 -61.5 -50.6 38.8 0.3 24.0 75 120 A V H X S+ 0 0 44 -4,-1.6 4,-2.6 -3,-0.2 -2,-0.2 0.932 113.9 52.4 -61.4 -51.3 40.7 3.6 23.4 76 121 A M H X S+ 0 0 0 -4,-3.1 4,-2.7 58,-0.3 -1,-0.2 0.927 109.5 51.2 -52.3 -48.2 38.6 5.6 25.9 77 122 A T H X S+ 0 0 41 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.969 112.4 42.1 -56.3 -60.6 39.2 2.9 28.6 78 123 A S H X S+ 0 0 68 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.859 113.0 57.1 -57.7 -32.7 43.0 2.7 28.3 79 124 A A H X S+ 0 0 2 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.973 107.4 46.6 -60.2 -53.6 43.0 6.5 28.0 80 125 A Q H X S+ 0 0 5 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.875 105.2 58.2 -58.1 -43.8 41.2 7.0 31.3 81 126 A I H X S+ 0 0 86 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.958 111.0 46.1 -50.8 -47.1 43.4 4.4 33.2 82 127 A T H < S+ 0 0 28 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.891 108.3 55.9 -63.4 -40.4 46.2 6.8 32.1 83 128 A M H < S+ 0 0 22 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.949 115.0 36.3 -58.7 -50.7 44.3 9.9 33.2 84 129 A G H >X S+ 0 0 2 -4,-2.5 4,-2.4 37,-0.2 3,-1.0 0.612 87.8 95.8 -82.6 -10.2 43.8 8.8 36.8 85 130 A M H 3X S+ 0 0 79 -4,-1.3 4,-2.4 -5,-0.3 5,-0.3 0.894 86.1 49.7 -48.3 -48.4 47.1 7.0 37.4 86 131 A P H 3> S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.852 111.4 51.7 -60.1 -32.2 48.7 10.0 39.1 87 132 A Y H <> S+ 0 0 16 -3,-1.0 4,-2.3 -4,-0.3 5,-0.3 0.990 111.1 46.1 -65.5 -56.1 45.6 10.3 41.2 88 133 A A H X S+ 0 0 41 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.913 112.2 48.3 -53.0 -55.3 45.7 6.7 42.3 89 134 A V H X S+ 0 0 74 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.866 111.7 50.3 -59.3 -36.9 49.4 6.5 43.2 90 135 A T H >X S+ 0 0 14 -4,-1.5 4,-2.0 -5,-0.3 3,-1.0 0.987 112.2 45.5 -64.5 -55.3 49.2 9.7 45.2 91 136 A D H 3X S+ 0 0 13 -4,-2.3 4,-1.2 1,-0.3 -2,-0.2 0.876 109.6 59.7 -53.1 -37.8 46.2 8.6 47.3 92 137 A A H 3< S+ 0 0 60 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.815 111.2 37.0 -63.1 -36.5 48.0 5.2 47.7 93 138 A V H << S+ 0 0 69 -4,-1.4 -1,-0.2 -3,-1.0 -2,-0.2 0.685 113.2 57.7 -91.1 -15.6 51.0 6.7 49.4 94 139 A L H >< S+ 0 0 3 -4,-2.0 3,-1.1 -5,-0.2 4,-0.4 0.654 89.7 80.3 -84.1 -16.4 49.0 9.3 51.3 95 140 A A G >< S+ 0 0 36 -4,-1.2 3,-1.8 1,-0.2 -1,-0.2 0.934 83.6 54.5 -58.0 -54.4 46.9 6.5 52.9 96 141 A P G 3 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.522 108.2 52.2 -62.6 -3.6 49.3 5.3 55.7 97 142 A H G < S+ 0 0 33 -3,-1.1 195,-1.2 194,-0.1 2,-0.6 0.448 86.2 93.9-109.0 -6.2 49.5 8.9 57.1 98 143 A I E < +E 291 0A 14 -3,-1.8 193,-0.2 -4,-0.4 2,-0.1 -0.837 51.6 177.0 -96.1 119.0 45.8 9.7 57.4 99 144 A G E - 0 0 17 191,-2.8 3,-0.1 -2,-0.6 193,-0.1 -0.315 40.0 -44.4-102.2-168.0 44.3 9.0 60.8 100 145 A G E - 0 0 47 189,-0.1 190,-1.9 1,-0.1 2,-0.3 0.034 68.5 -84.5 -58.4 165.4 40.9 9.6 62.2 101 146 A E E -E 289 0A 94 188,-0.2 2,-0.7 1,-0.1 188,-0.3 -0.552 30.2-156.9 -76.0 127.1 38.8 12.7 61.8 102 147 A A - 0 0 26 186,-2.3 2,-0.2 -2,-0.3 186,-0.1 -0.491 45.8-100.6-102.3 62.4 39.5 15.5 64.3 103 148 A G 0 0 49 -2,-0.7 185,-0.7 184,-0.1 -1,-0.2 -0.406 360.0 360.0 62.5-126.2 36.2 17.3 64.0 104 149 A S 0 0 71 183,-0.2 183,-0.3 -2,-0.2 181,-0.1 -0.905 360.0 360.0-116.0 360.0 36.3 20.4 61.9 105 ! 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 0.0 106 153 A P 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.2 41.6 24.2 65.2 107 154 A P - 0 0 118 0, 0.0 -104,-0.4 0, 0.0 2,-0.3 -0.095 360.0-136.3 -38.6 103.2 44.6 25.3 63.1 108 155 A P - 0 0 31 0, 0.0 -104,-0.2 0, 0.0 3,-0.1 -0.486 9.0-146.1 -66.6 120.8 45.4 22.7 60.3 109 156 A A S S+ 0 0 45 -106,-1.8 2,-0.3 -2,-0.3 -105,-0.2 0.809 83.5 12.7 -59.9 -31.7 49.2 22.5 60.5 110 157 A L E -b 4 0A 2 -107,-1.1 -105,-1.8 2,-0.0 2,-0.4 -0.988 68.0-156.6-146.4 147.3 49.1 21.9 56.7 111 158 A T E -bd 5 33A 6 -79,-2.3 -77,-2.9 -2,-0.3 2,-0.6 -0.978 5.5-160.3-132.0 116.2 46.4 22.2 54.1 112 159 A L E -bd 6 34A 0 -107,-2.7 -105,-3.0 -2,-0.4 2,-0.8 -0.873 0.7-165.3 -99.2 121.9 46.5 20.4 50.8 113 160 A I E -bd 7 35A 1 -79,-3.2 -77,-3.2 -2,-0.6 2,-0.3 -0.924 16.7-163.2-105.8 103.9 44.4 21.8 47.9 114 161 A F E -bd 8 36A 13 -107,-3.4 -105,-2.6 -2,-0.8 2,-1.0 -0.637 20.5-132.2 -88.6 148.3 44.1 19.0 45.4 115 162 A D E S-b 9 0A 3 -79,-1.4 -105,-0.2 -2,-0.3 -107,-0.1 -0.836 80.9 -17.8-100.8 94.3 43.1 19.5 41.8 116 163 A R S S- 0 0 13 -107,-2.6 -1,-0.2 -2,-1.0 -106,-0.2 0.330 71.4-113.7 83.8 145.3 40.5 16.7 41.4 117 164 A H > - 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0 0 8 -5,-1.5 2,-0.4 -4,-0.7 -1,-0.2 -0.423 15.7-172.6 -71.3 141.6 19.5 5.9 51.1 207 254 A S >> - 0 0 51 -2,-0.1 4,-1.6 1,-0.1 3,-0.9 -0.892 13.4-158.6-135.4 103.9 19.8 2.2 50.1 208 255 A W H 3> S+ 0 0 14 -2,-0.4 4,-1.0 1,-0.2 -1,-0.1 0.788 91.0 59.7 -53.8 -28.6 20.0 1.6 46.4 209 256 A R H 34 S+ 0 0 115 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.885 106.9 43.1 -70.9 -35.5 18.8 -2.0 46.8 210 257 A E H <4 S+ 0 0 136 -3,-0.9 3,-0.3 1,-0.2 -1,-0.2 0.774 119.2 44.4 -81.5 -22.3 15.5 -1.1 48.4 211 258 A D H >X S+ 0 0 28 -4,-1.6 3,-2.0 1,-0.2 4,-0.6 0.549 82.3 98.9 -98.1 -5.5 14.9 1.7 45.9 212 259 A W H >X S+ 0 0 25 -4,-1.0 4,-1.9 1,-0.3 3,-1.1 0.811 76.0 62.6 -50.2 -35.7 15.9 -0.2 42.8 213 260 A G H 34 S+ 0 0 53 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.801 92.2 64.1 -63.2 -28.8 12.3 -0.9 42.0 214 261 A Q H <4 S+ 0 0 122 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.783 106.7 43.2 -65.5 -26.8 11.6 2.8 41.6 215 262 A L H << S+ 0 0 28 -3,-1.1 2,-3.5 -4,-0.6 -2,-0.2 0.878 97.5 79.4 -79.9 -44.0 13.9 2.8 38.7 216 263 A S < 0 0 45 -4,-1.9 -1,-0.2 25,-0.0 -3,-0.1 -0.237 360.0 360.0 -63.6 58.6 12.5 -0.4 37.4 217 264 A G 0 0 110 -2,-3.5 -3,-0.1 -3,-0.1 -2,-0.0 -0.684 360.0 360.0-159.7 360.0 9.5 1.4 35.9 218 ! 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 0.0 219 280 A P 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.0 16.8 18.1 49.0 220 281 A R - 0 0 158 2,-0.0 2,-0.2 -20,-0.0 -23,-0.0 -0.827 360.0-163.5-120.2 78.2 15.5 14.7 49.7 221 282 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 5,-0.0 -0.517 5.9-141.3 -68.2 134.3 16.8 13.3 46.4 222 283 A H > - 0 0 113 -2,-0.2 3,-2.4 1,-0.1 -21,-0.1 -0.486 32.6 -91.6 -88.7 170.9 15.3 10.0 45.4 223 284 A I G > S+ 0 0 0 1,-0.3 3,-2.7 2,-0.2 6,-0.4 0.897 122.0 65.0 -49.8 -45.7 17.1 7.1 43.7 224 285 A G G 3 S+ 0 0 36 1,-0.3 -1,-0.3 -13,-0.1 5,-0.0 0.663 97.4 56.3 -52.1 -22.1 16.2 8.4 40.3 225 286 A D G < S+ 0 0 77 -3,-2.4 -1,-0.3 -28,-0.1 2,-0.2 0.198 98.3 82.6 -95.7 14.9 18.3 11.5 40.9 226 287 A T S X S- 0 0 0 -3,-2.7 3,-1.8 -29,-0.1 4,-0.3 -0.718 95.3 -98.2-118.0 169.9 21.4 9.6 41.6 227 288 A L G >> S+ 0 0 0 -33,-0.7 3,-1.4 1,-0.3 4,-0.7 0.759 109.7 79.8 -53.1 -27.4 24.2 8.0 39.7 228 289 A F G >4 S+ 0 0 0 1,-0.3 3,-0.5 -5,-0.2 -1,-0.3 0.795 79.1 67.9 -55.0 -30.3 22.5 4.6 40.2 229 290 A T G X4 S+ 0 0 32 -3,-1.8 3,-1.6 -6,-0.4 -1,-0.3 0.854 91.0 61.9 -58.8 -36.5 20.1 5.4 37.3 230 291 A L G <4 S+ 0 0 10 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.911 97.8 58.4 -57.5 -39.8 22.9 5.2 34.8 231 292 A F G << S+ 0 0 0 -4,-0.7 2,-1.1 -3,-0.5 -1,-0.3 0.318 74.4 95.0 -80.6 13.1 23.5 1.5 35.7 232 293 A R < + 0 0 77 -3,-1.6 -1,-0.2 -4,-0.1 -3,-0.1 -0.523 59.1 140.3 -98.0 64.1 20.1 0.3 34.8 233 294 A A >> - 0 0 5 -2,-1.1 3,-1.8 1,-0.1 4,-0.6 -0.820 63.8-119.5-106.5 151.0 21.2 -0.7 31.3 234 295 A P G >4 S+ 0 0 106 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.813 111.9 62.8 -57.1 -34.4 20.2 -3.9 29.4 235 296 A E G 34 S+ 0 0 96 1,-0.3 -3,-0.0 -3,-0.0 -99,-0.0 0.732 109.4 42.6 -62.1 -25.3 23.8 -5.1 29.2 236 297 A L G <4 S+ 0 0 0 -3,-1.8 8,-1.4 2,-0.1 2,-0.4 0.442 95.8 95.1 -99.6 -8.9 23.8 -5.3 33.0 237 298 A L B << -G 243 0B 35 -3,-0.9 6,-0.2 -4,-0.6 -5,-0.0 -0.763 65.7-138.2 -94.7 132.7 20.4 -6.8 33.5 238 299 A A > - 0 0 13 4,-3.3 3,-1.7 -2,-0.4 -2,-0.1 -0.252 38.0 -96.8 -73.1 170.4 19.9 -10.6 33.9 239 300 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.853 124.2 60.4 -60.6 -31.8 16.9 -12.2 32.1 240 301 A N T 3 S- 0 0 113 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.274 120.5-106.2 -79.9 11.6 14.9 -12.0 35.3 241 302 A G S < S+ 0 0 30 -3,-1.7 2,-0.3 1,-0.3 -1,-0.1 0.468 84.9 110.6 81.7 1.1 15.2 -8.1 35.4 242 303 A D S S- 0 0 84 1,-0.1 -4,-3.3 -5,-0.0 -1,-0.3 -0.754 76.2-100.3-105.2 158.1 17.7 -7.8 38.2 243 304 A L B -G 237 0B 15 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.301 47.3-100.2 -67.7 157.5 21.3 -6.7 37.8 244 305 A Y > - 0 0 103 -8,-1.4 4,-2.2 1,-0.1 5,-0.2 -0.535 34.8-109.6 -75.4 157.3 23.7 -9.6 37.9 245 306 A N H > S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.840 116.3 56.3 -58.7 -34.4 25.4 -10.0 41.2 246 307 A V H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.976 111.8 43.1 -60.0 -53.7 28.8 -8.8 40.0 247 308 A F H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.826 112.4 53.5 -63.1 -31.1 27.3 -5.6 38.8 248 309 A A H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.960 106.9 51.2 -69.7 -46.4 25.2 -5.3 42.0 249 310 A W H X S+ 0 0 152 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.847 106.5 56.0 -58.4 -34.1 28.3 -5.7 44.2 250 311 A A H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.947 107.2 47.4 -64.4 -45.8 30.0 -2.9 42.2 251 312 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.912 109.1 56.4 -62.0 -37.1 27.1 -0.6 43.0 252 313 A D H X S+ 0 0 47 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.961 108.8 45.4 -56.3 -51.8 27.5 -1.7 46.6 253 314 A V H X S+ 0 0 27 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.866 108.8 57.6 -60.8 -33.6 31.2 -0.7 46.5 254 315 A L H >X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-0.5 0.986 109.0 45.4 -59.1 -53.3 30.1 2.6 44.8 255 316 A A H 3X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.3 -2,-0.2 0.892 110.2 52.9 -56.5 -45.9 27.8 3.3 47.8 256 317 A K H 3X S+ 0 0 124 -4,-2.5 4,-0.6 1,-0.2 -1,-0.3 0.842 113.7 44.7 -60.5 -34.4 30.5 2.4 50.4 257 318 A R H << S+ 0 0 48 -4,-1.9 3,-0.4 -3,-0.5 -2,-0.2 0.943 116.2 42.7 -77.5 -46.9 32.9 4.8 48.8 258 319 A L H >< S+ 0 0 1 -4,-2.7 3,-1.8 -5,-0.2 -2,-0.2 0.881 100.3 72.4 -66.5 -38.9 30.6 7.7 48.3 259 320 A R H 3< S+ 0 0 107 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.794 97.0 47.3 -46.1 -46.0 28.9 7.5 51.7 260 321 A S T 3< S+ 0 0 58 -4,-0.6 -106,-0.4 -3,-0.4 2,-0.3 0.046 88.5 106.6 -91.1 24.5 31.9 8.8 53.7 261 322 A M < - 0 0 2 -3,-1.8 2,-0.7 -108,-0.1 -106,-0.2 -0.818 61.9-139.6-103.7 147.8 32.8 11.8 51.5 262 323 A H E -f 155 0A 45 -108,-2.3 -106,-3.3 -2,-0.3 2,-0.3 -0.913 23.3-167.7-108.1 106.3 32.1 15.4 52.5 263 324 A V E -f 156 0A 39 -2,-0.7 2,-0.3 -108,-0.2 -106,-0.2 -0.758 8.8-179.6 -99.0 144.4 30.8 17.5 49.6 264 325 A F E -f 157 0A 43 -108,-2.0 -106,-3.0 -2,-0.3 2,-0.6 -0.930 22.6-132.0-133.5 153.6 30.5 21.2 49.4 265 326 A I E -f 158 0A 90 -2,-0.3 2,-0.5 -108,-0.2 -106,-0.2 -0.884 14.8-162.4-119.2 106.0 29.3 23.3 46.6 266 327 A L E -f 159 0A 2 -108,-2.5 -106,-2.1 -2,-0.6 2,-0.5 -0.707 17.0-136.6 -85.5 125.3 31.3 26.3 45.5 267 328 A D E -f 160 0A 76 -2,-0.5 -106,-0.2 -108,-0.2 11,-0.1 -0.711 20.0-176.6 -82.3 126.5 29.4 28.8 43.4 268 329 A Y + 0 0 0 -108,-3.5 2,-3.2 -2,-0.5 -107,-0.2 0.592 53.2 106.4 -98.3 -13.1 31.6 30.0 40.5 269 330 A D S S+ 0 0 69 -109,-0.7 2,-0.3 6,-0.0 -1,-0.1 -0.332 75.5 60.3 -66.6 66.0 29.1 32.5 39.1 270 331 A Q S S- 0 0 73 -2,-3.2 0, 0.0 3,-0.0 0, 0.0 -0.942 95.6 -53.7-170.7-175.6 31.1 35.5 40.4 271 332 A S > - 0 0 69 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.463 48.5-111.1 -80.1 152.5 34.6 37.1 40.2 272 333 A P H > S+ 0 0 64 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.817 120.5 52.3 -47.4 -36.7 37.9 35.3 40.8 273 334 A A H > S+ 0 0 42 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.983 112.0 44.0 -65.2 -56.1 38.2 37.3 44.0 274 335 A G H > S+ 0 0 19 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.948 112.5 50.9 -52.8 -57.4 34.8 36.4 45.3 275 336 A C H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.865 110.5 51.5 -49.2 -40.2 35.2 32.7 44.4 276 337 A R H X S+ 0 0 47 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.952 110.6 47.2 -63.8 -47.7 38.5 32.7 46.2 277 338 A D H X S+ 0 0 78 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.916 111.6 51.3 -60.4 -43.8 36.9 34.2 49.3 278 339 A A H X S+ 0 0 30 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.912 109.8 48.9 -61.9 -43.1 34.0 31.7 49.1 279 340 A L H >X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 3,-0.6 0.984 113.0 47.9 -58.8 -52.6 36.4 28.7 48.9 280 341 A L H 3X S+ 0 0 66 -4,-2.7 4,-0.9 1,-0.3 -2,-0.2 0.867 110.2 53.4 -53.5 -40.6 38.3 30.1 51.8 281 342 A Q H 3X S+ 0 0 145 -4,-2.8 4,-0.5 1,-0.2 3,-0.4 0.864 107.3 50.8 -65.4 -37.0 35.0 30.6 53.6 282 343 A L H X< S+ 0 0 49 -4,-2.3 3,-1.6 -3,-0.6 -2,-0.2 0.894 96.7 70.2 -67.1 -39.1 34.1 26.9 53.1 283 344 A T H >< S+ 0 0 28 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.821 86.1 66.9 -46.9 -39.8 37.5 25.8 54.4 284 345 A S H 3< S+ 0 0 89 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.900 104.2 44.2 -51.9 -41.7 36.4 26.8 57.9 285 346 A G T << S+ 0 0 47 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.3 0.144 89.3 111.7 -94.5 21.2 33.8 24.1 57.9 286 347 A M S < S- 0 0 1 -3,-2.0 2,-0.1 -4,-0.1 -131,-0.1 -0.754 71.8-103.5 -99.3 145.7 35.8 21.2 56.5 287 348 A V - 0 0 18 -2,-0.3 -281,-0.6 -183,-0.3 -183,-0.2 -0.315 32.5-161.4 -65.7 135.3 36.9 18.1 58.4 288 349 A Q E -A 5 0A 11 -185,-0.7 -186,-2.3 -283,-0.1 2,-0.3 -0.678 5.0-159.3-109.8 168.7 40.6 17.8 59.5 289 350 A T E -AE 4 101A 2 -285,-2.0 -285,-2.6 -188,-0.3 -188,-0.2 -0.971 19.9-110.5-147.4 157.0 42.3 14.6 60.6 290 351 A H E -A 3 0A 57 -190,-1.9 -191,-2.8 -2,-0.3 2,-0.3 -0.588 32.8-122.9 -86.9 153.7 45.4 13.6 62.6 291 352 A V E - E 0 98A 18 -289,-0.7 -193,-0.2 -193,-0.2 -194,-0.1 -0.669 16.0-125.0 -93.6 153.9 48.4 12.2 60.8 292 353 A T S S+ 0 0 74 -195,-1.2 -194,-0.1 -2,-0.3 -195,-0.1 0.679 88.5 24.4 -72.3 -22.4 49.8 8.8 61.8 293 354 A T S > S- 0 0 64 -196,-0.3 3,-1.0 1,-0.1 4,-0.5 -0.964 75.9-118.5-140.0 159.8 53.3 9.9 62.6 294 355 A P T 3 S+ 0 0 124 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.871 117.7 55.2 -65.4 -30.9 55.1 13.1 63.5 295 356 A G T 3> S+ 0 0 31 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.610 84.4 87.5 -76.2 -12.2 57.0 12.8 60.3 296 357 A S H <> S+ 0 0 0 -3,-1.0 4,-3.4 1,-0.2 5,-0.3 0.936 82.2 55.1 -53.7 -52.8 53.8 12.6 58.2 297 358 A I H > S+ 0 0 28 -4,-0.5 4,-3.4 -3,-0.4 -1,-0.2 0.902 113.6 39.2 -50.2 -53.5 53.4 16.3 57.8 298 359 A P H > S+ 0 0 80 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.934 117.0 50.7 -64.0 -43.1 56.9 16.9 56.3 299 360 A T H X S+ 0 0 73 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.904 116.9 41.7 -58.3 -41.4 56.7 13.7 54.3 300 361 A I H X S+ 0 0 1 -4,-3.4 4,-2.5 -5,-0.2 5,-0.2 0.905 112.8 52.4 -72.0 -44.9 53.3 14.8 53.0 301 362 A C H X S+ 0 0 19 -4,-3.4 4,-2.1 -5,-0.3 -2,-0.2 0.964 115.1 42.3 -56.8 -51.7 54.3 18.4 52.5 302 363 A D H X S+ 0 0 93 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.872 109.9 58.6 -62.9 -41.1 57.3 17.3 50.4 303 364 A L H X S+ 0 0 49 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.972 107.5 45.4 -52.5 -59.7 55.2 14.7 48.6 304 365 A A H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.915 112.5 52.5 -51.6 -47.5 52.8 17.3 47.3 305 366 A R H X S+ 0 0 88 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.909 109.4 48.3 -57.3 -44.4 55.7 19.5 46.3 306 367 A T H X S+ 0 0 46 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.945 112.3 48.9 -62.4 -48.5 57.4 16.7 44.3 307 368 A F H X S+ 0 0 17 -4,-2.6 4,-3.1 1,-0.2 5,-0.4 0.981 113.3 46.7 -52.4 -62.3 54.1 15.9 42.5 308 369 A A H X S+ 0 0 30 -4,-2.6 4,-1.1 1,-0.2 7,-0.3 0.800 114.8 47.9 -48.1 -41.3 53.5 19.5 41.6 309 370 A R H < S+ 0 0 175 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.967 119.6 35.6 -67.6 -53.9 57.0 20.0 40.4 310 371 A E H < S+ 0 0 124 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.723 130.6 26.1 -77.3 -25.3 57.3 16.9 38.3 311 372 A M H < S+ 0 0 15 -4,-3.1 -270,-1.3 -5,-0.3 -269,-0.6 0.405 94.5 95.9-124.7 5.8 53.8 16.7 36.9 312 373 A G < - 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