==== 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 3VTK . 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) . 13489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 76.4 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 . 7 2.2 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 . 1 0.3 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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 1 0 3 1 0 0 0 2 1 0 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 . 2 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 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 0 211 0, 0.0 2,-0.2 0, 0.0 289,-0.0 0.000 360.0 360.0 360.0 132.9 48.2 16.0 68.0 2 47 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 289,-0.3 -0.683 360.0-145.1-115.4 168.2 47.9 17.9 64.7 3 48 A T - 0 0 11 104,-0.4 106,-2.9 -2,-0.2 107,-0.7 -0.939 3.1-158.4-131.1 156.0 45.4 18.1 61.9 4 49 A L E -aB 110 289A 0 285,-1.3 285,-2.1 -2,-0.3 2,-0.5 -0.993 15.3-140.6-134.9 127.2 45.8 18.5 58.2 5 50 A L E -aB 111 288A 0 105,-2.8 107,-2.5 -2,-0.4 2,-0.5 -0.854 13.3-164.4 -94.8 126.4 43.0 19.8 56.1 6 51 A R E -a 112 0A 2 281,-0.6 149,-0.9 -2,-0.5 2,-0.5 -0.958 4.0-172.1-112.9 126.7 42.5 18.3 52.7 7 52 A V E -ac 113 155A 0 105,-2.8 107,-2.8 -2,-0.5 2,-0.7 -0.981 7.8-160.4-118.7 124.1 40.3 20.1 50.2 8 53 A Y E -ac 114 156A 6 147,-3.4 149,-1.6 -2,-0.5 2,-0.5 -0.823 9.8-160.3-109.6 90.7 39.4 18.3 46.9 9 54 A I E +ac 115 157A 1 105,-1.7 107,-2.7 -2,-0.7 2,-0.2 -0.591 31.2 136.8 -73.6 122.3 38.2 20.9 44.3 10 55 A D + 0 0 2 147,-3.2 7,-0.0 -2,-0.5 -1,-0.0 -0.639 9.5 121.2-145.0-161.1 36.2 19.4 41.5 11 56 A G - 0 0 0 -2,-0.2 4,-0.1 147,-0.2 178,-0.1 -0.630 69.8 -31.2 115.1 177.5 33.3 19.5 39.2 12 57 A P S S- 0 0 7 0, 0.0 3,-0.4 0, 0.0 5,-0.2 -0.040 76.3 -77.6 -61.7 168.5 33.2 19.6 35.4 13 58 A H S S+ 0 0 17 1,-0.2 157,-0.1 172,-0.1 176,-0.1 -0.435 106.1 22.4 -72.6 138.1 35.8 21.1 33.0 14 59 A G S S+ 0 0 15 -2,-0.2 156,-0.2 1,-0.1 -1,-0.2 0.888 78.8 126.3 74.1 46.5 36.0 24.9 32.4 15 60 A M S S- 0 0 3 -3,-0.4 145,-0.1 154,-0.1 -1,-0.1 -0.419 88.6 -86.4-130.9 54.1 34.3 26.2 35.5 16 61 A G S > S+ 0 0 13 150,-0.1 4,-3.0 1,-0.1 5,-0.2 0.291 91.1 126.8 65.0 -12.6 36.6 28.7 37.1 17 62 A K H > S+ 0 0 11 -5,-0.2 4,-1.0 1,-0.2 3,-0.3 0.908 72.3 33.4 -41.5 -78.2 38.4 25.9 39.0 18 63 A T H >> S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.856 118.8 58.0 -55.8 -30.0 42.2 26.2 38.2 19 64 A T H 3> S+ 0 0 81 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.962 107.2 44.8 -64.1 -49.1 41.6 30.0 38.0 20 65 A T H 3< S+ 0 0 1 -4,-3.0 4,-0.3 -3,-0.3 -1,-0.2 0.554 108.2 58.4 -74.6 -8.5 40.3 30.2 41.6 21 66 A T H XX S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.5 3,-1.0 0.924 106.5 45.4 -84.0 -48.1 43.0 27.9 43.1 22 67 A Q H 3< S+ 0 0 57 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.1 0.552 114.2 52.1 -70.5 -8.3 46.0 30.1 41.9 23 68 A L T 3< S+ 0 0 57 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.584 109.3 49.4 -98.9 -17.9 44.0 33.1 43.2 24 69 A L T X4 S+ 0 0 13 -3,-1.0 3,-0.6 -4,-0.3 5,-0.2 0.802 114.3 42.7 -87.3 -38.6 43.5 31.4 46.6 25 70 A V G >< S+ 0 0 45 -4,-2.3 3,-0.5 1,-0.2 -3,-0.2 0.475 100.6 74.7 -85.4 -3.1 47.2 30.5 47.0 26 71 A A G 3 + 0 0 68 -5,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.593 67.0 93.5 -83.4 -11.0 48.1 33.9 45.8 27 72 A L G < S- 0 0 76 -3,-0.6 -1,-0.2 1,-0.1 3,-0.1 0.426 102.3-115.2 -62.8 0.2 47.0 35.5 49.1 28 73 A G < + 0 0 70 -3,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.584 55.5 170.3 74.8 7.8 50.6 35.2 50.3 29 74 A S - 0 0 43 -5,-0.2 -1,-0.2 1,-0.1 4,-0.2 -0.216 42.6 -93.8 -53.1 138.8 49.5 32.7 53.0 30 75 A R > - 0 0 170 1,-0.2 2,-2.5 -3,-0.1 3,-1.1 -0.026 47.7 -87.2 -50.3 163.2 52.4 31.0 54.7 31 76 A D T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 -0.086 104.0 102.0 -70.2 39.8 53.6 27.7 53.4 32 77 A D T 3 S+ 0 0 40 -2,-2.5 79,-2.4 78,-0.1 2,-0.5 0.432 71.6 77.1 -95.9 -6.8 51.1 25.8 55.5 33 78 A I E < -d 111 0A 34 -3,-1.1 2,-0.6 77,-0.2 79,-0.2 -0.923 64.0-170.7-106.7 125.6 49.2 25.5 52.3 34 79 A V E -d 112 0A 2 77,-2.7 79,-2.3 -2,-0.5 2,-0.5 -0.972 5.9-162.3-121.2 112.2 50.3 23.0 49.7 35 80 A Y E -d 113 0A 19 -2,-0.6 79,-0.2 77,-0.2 273,-0.1 -0.865 1.6-164.8 -96.7 129.1 48.6 23.2 46.3 36 81 A V E -d 114 0A 2 77,-2.4 79,-1.9 -2,-0.5 269,-0.1 -0.981 12.1-151.4-116.9 124.3 48.8 20.1 44.0 37 82 A P - 0 0 2 0, 0.0 78,-0.1 0, 0.0 275,-0.1 -0.123 35.6 -67.7 -84.4-179.9 47.9 20.7 40.3 38 83 A E - 0 0 27 1,-0.1 275,-0.4 76,-0.1 3,-0.4 -0.410 48.0-117.2 -68.1 144.3 46.4 18.3 37.7 39 84 A P >> + 0 0 0 0, 0.0 3,-3.2 0, 0.0 4,-1.0 0.191 62.6 146.9 -74.2 27.4 49.0 15.6 36.8 40 85 A M H 3> + 0 0 9 1,-0.3 4,-3.1 2,-0.2 5,-0.4 0.609 61.9 59.3 -32.6 -39.3 49.0 17.0 33.2 41 86 A T H 3>>S+ 0 0 42 270,-1.1 4,-1.6 -3,-0.4 5,-1.0 0.834 106.0 49.9 -67.5 -30.0 52.6 16.2 32.4 42 87 A Y H <4>S+ 0 0 46 -3,-3.2 5,-3.1 269,-0.3 6,-0.9 0.988 114.4 48.2 -64.7 -54.6 51.8 12.6 33.1 43 88 A W H <>S+ 0 0 13 -4,-1.0 8,-0.7 1,-0.2 5,-0.7 0.905 120.7 30.6 -45.4 -74.2 48.9 13.1 30.7 44 89 A R H <5S+ 0 0 71 -4,-3.1 6,-2.0 6,-0.2 -1,-0.2 0.927 137.8 1.1 -59.4 -49.9 50.6 14.8 27.8 45 90 A V T <5S+ 0 0 102 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.811 123.6 37.0-106.1 -86.0 54.1 13.2 28.1 46 91 A L T S+ 0 0 53 -6,-2.0 4,-1.3 -2,-0.7 -1,-0.3 0.945 70.7 175.0 44.5 70.8 48.6 13.6 24.3 51 96 A T H > S+ 0 0 7 -8,-0.7 4,-1.9 -3,-0.4 3,-0.3 0.911 78.7 58.7 -68.0 -41.9 46.1 11.5 26.2 52 97 A I H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 102.1 58.0 -52.4 -38.9 43.7 14.4 26.3 53 98 A A H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.894 103.4 49.6 -56.7 -54.1 43.9 14.4 22.5 54 99 A N H X S+ 0 0 69 -4,-1.3 4,-3.2 -3,-0.3 5,-0.4 0.956 106.9 54.3 -55.6 -54.8 42.7 10.9 22.1 55 100 A I H X S+ 0 0 8 -4,-1.9 4,-0.8 1,-0.3 -2,-0.2 0.924 118.5 34.8 -45.1 -61.7 39.7 11.4 24.3 56 101 A Y H X S+ 0 0 23 -4,-1.9 4,-1.4 121,-0.2 -1,-0.3 0.720 122.4 47.5 -66.9 -28.6 38.4 14.4 22.3 57 102 A T H X S+ 0 0 42 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.966 107.8 52.8 -75.1 -59.2 39.7 12.9 18.9 58 103 A T H X S+ 0 0 15 -4,-3.2 4,-0.6 1,-0.2 -2,-0.2 0.644 107.8 56.7 -49.2 -20.1 38.2 9.4 19.4 59 104 A Q H >X S+ 0 0 2 -4,-0.8 4,-3.8 -5,-0.4 3,-0.8 0.964 108.0 42.1 -77.8 -55.8 35.0 11.2 20.1 60 105 A H H 3X S+ 0 0 88 -4,-1.4 4,-3.7 1,-0.3 -2,-0.2 0.920 115.2 52.4 -52.3 -51.7 34.8 13.1 16.7 61 106 A R H 3<>S+ 0 0 100 -4,-2.8 5,-3.3 1,-0.2 6,-0.5 0.834 115.3 42.6 -53.3 -33.2 36.0 10.0 15.1 62 107 A L H X<5S+ 0 0 25 -3,-0.8 3,-1.4 -4,-0.6 -2,-0.2 0.941 116.3 44.7 -78.1 -51.8 33.1 8.2 16.9 63 108 A D H 3<5S+ 0 0 97 -4,-3.8 -2,-0.2 1,-0.3 -3,-0.2 0.895 110.8 54.3 -60.5 -40.3 30.4 10.9 16.3 64 109 A Q T 3<5S- 0 0 121 -4,-3.7 -1,-0.3 -5,-0.3 -2,-0.1 0.120 119.7-114.2 -84.7 26.1 31.5 11.3 12.7 65 110 A G T < 5S+ 0 0 63 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.802 76.2 129.4 45.2 51.0 30.9 7.5 12.4 66 111 A E < + 0 0 97 -5,-3.3 2,-0.3 -6,-0.2 -4,-0.2 0.485 67.0 31.3-111.3 1.8 34.5 6.4 11.7 67 112 A I S S- 0 0 41 -6,-0.5 2,-0.1 -5,-0.2 -2,-0.1 -0.944 86.4-100.0-147.9 159.6 34.9 3.7 14.3 68 113 A S >> - 0 0 67 -2,-0.3 4,-2.0 1,-0.1 3,-1.6 -0.444 37.9-113.9 -77.3 157.4 32.7 1.2 15.9 69 114 A A H 3> S+ 0 0 56 1,-0.3 4,-3.4 2,-0.2 3,-0.4 0.987 121.2 59.9 -56.3 -47.7 31.5 2.2 19.4 70 115 A G H 3> S+ 0 0 46 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.605 104.3 51.9 -53.9 -11.8 33.6 -0.8 20.6 71 116 A D H <> S+ 0 0 89 -3,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.871 111.8 42.0 -90.4 -46.5 36.5 1.0 19.1 72 117 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 -3,-0.4 5,-0.2 0.879 111.9 60.6 -65.4 -34.1 36.0 4.3 20.8 73 118 A A H X S+ 0 0 12 -4,-3.4 4,-1.5 -5,-0.2 -1,-0.2 0.910 104.4 45.6 -57.8 -49.0 35.2 2.3 23.9 74 119 A V H X S+ 0 0 108 -4,-0.8 4,-1.3 -5,-0.2 -1,-0.2 0.845 118.4 40.3 -70.0 -36.2 38.6 0.6 24.1 75 120 A V H >X S+ 0 0 53 -4,-1.6 4,-2.8 2,-0.2 3,-0.6 0.964 113.1 55.2 -75.1 -48.4 40.6 3.8 23.5 76 121 A M H 3X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.3 -2,-0.2 0.793 109.0 51.7 -51.3 -32.4 38.3 5.8 25.7 77 122 A T H 3X S+ 0 0 31 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.3 0.865 109.8 42.9 -78.1 -39.1 39.0 3.3 28.4 78 123 A S H X S+ 0 0 2 -4,-2.6 3,-2.5 37,-0.3 4,-1.9 0.744 89.1 89.1 -73.7 -31.2 43.7 8.4 36.7 85 130 A M H 3X S+ 0 0 87 -4,-2.1 4,-2.4 1,-0.3 3,-0.4 0.857 90.2 51.0 -34.3 -56.8 46.9 6.5 37.5 86 131 A P H 3> S+ 0 0 1 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.668 107.6 51.7 -60.0 -25.9 48.6 9.7 38.9 87 132 A Y H <> S+ 0 0 14 -3,-2.5 4,-2.1 -4,-0.2 -2,-0.2 0.884 114.4 46.3 -75.9 -35.9 45.6 10.5 41.2 88 133 A A H X S+ 0 0 39 -4,-1.9 4,-2.0 -3,-0.4 5,-0.2 0.954 105.4 52.2 -71.1 -57.5 45.8 7.0 42.6 89 134 A V H X S+ 0 0 72 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.800 113.2 49.9 -53.1 -29.2 49.5 6.4 43.2 90 135 A T H >X S+ 0 0 11 -4,-0.5 4,-1.5 -5,-0.3 3,-0.7 0.975 107.8 50.2 -70.5 -57.7 49.4 9.6 45.2 91 136 A D H 3X S+ 0 0 20 -4,-2.1 4,-1.3 1,-0.3 -2,-0.2 0.757 108.9 57.0 -52.2 -25.0 46.4 8.6 47.3 92 137 A A H 3< S+ 0 0 59 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.901 109.7 41.2 -75.7 -42.0 48.3 5.4 47.9 93 138 A V H << S+ 0 0 69 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.604 116.2 51.3 -85.7 -1.1 51.3 7.1 49.4 94 139 A L H >< S+ 0 0 2 -4,-1.5 3,-1.1 1,-0.1 -2,-0.2 0.704 94.0 72.5-102.5 -26.2 49.1 9.6 51.3 95 140 A A G >< S+ 0 0 32 -4,-1.3 3,-2.4 -5,-0.2 -2,-0.1 0.884 84.9 63.4 -57.7 -45.7 46.8 7.0 53.0 96 141 A P G 3 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 197,-0.2 0.345 104.9 50.2 -65.8 8.7 49.3 5.6 55.5 97 142 A H G < S+ 0 0 29 -3,-1.1 2,-0.8 195,-0.1 195,-0.4 0.323 85.2 104.1-125.5 1.3 49.5 9.0 57.1 98 143 A I < + 0 0 15 -3,-2.4 193,-0.2 193,-0.2 2,-0.1 -0.785 44.6 178.2-101.0 109.1 45.8 9.7 57.5 99 144 A G - 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0 0 13 -109,-0.2 3,-2.5 -3,-0.1 4,-0.2 -0.936 35.0 -98.1-114.1 136.4 40.0 14.1 43.3 118 165 A P T 3> S+ 0 0 8 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.558 116.8 64.3 -15.6 -52.7 40.3 10.5 42.0 119 166 A I H 3>>S+ 0 0 3 2,-0.2 5,-3.1 1,-0.2 4,-0.8 0.482 91.0 67.9 -65.1 -2.6 36.6 9.9 41.3 120 167 A A H <4>S+ 0 0 1 -3,-2.5 5,-2.5 3,-0.2 -1,-0.2 0.948 114.9 27.0 -76.3 -53.6 36.7 12.7 38.7 121 168 A A H 45S+ 0 0 8 -3,-0.5 -37,-0.3 -4,-0.2 -2,-0.2 0.560 130.3 44.0 -82.8 -13.3 38.9 10.3 36.6 122 169 A L H <5S+ 0 0 26 -4,-1.5 -3,-0.2 -39,-0.1 25,-0.2 0.548 132.5 2.7-113.9 -7.6 37.5 7.1 38.0 123 170 A L T X5S+ 0 0 0 -4,-0.8 4,-1.9 -5,-0.2 -3,-0.2 0.473 122.8 51.7-138.2 -57.1 33.8 7.6 38.2 124 171 A C H > S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.922 111.8 47.1 -56.6 -34.1 34.0 7.3 32.7 127 174 A A H X S+ 0 0 2 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.836 108.2 53.9 -73.5 -35.6 30.3 7.8 33.4 128 175 A A H >X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 3,-0.7 0.932 108.9 48.2 -65.7 -45.8 30.0 10.8 31.1 129 176 A R H 3<>S+ 0 0 1 -4,-2.7 6,-1.6 1,-0.3 5,-1.2 0.822 103.1 63.1 -65.5 -25.8 31.5 8.8 28.3 130 177 A Y H ><5S+ 0 0 45 -4,-1.1 3,-0.6 -5,-0.3 -1,-0.3 0.874 109.5 40.0 -62.3 -36.5 29.0 6.0 29.2 131 178 A L H <<5S+ 0 0 67 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.600 108.2 62.7 -82.5 -21.8 26.3 8.5 28.3 132 179 A M T 3<5S- 0 0 25 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.224 113.4-117.0 -87.8 11.5 28.4 9.7 25.3 133 180 A G T < 5S+ 0 0 47 -3,-0.6 -3,-0.2 2,-0.2 -60,-0.2 0.310 96.8 97.7 68.3 -2.6 28.1 6.2 23.7 134 181 A S S - 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0 0 3 -3,-2.4 2,-0.8 -108,-0.1 -106,-0.2 -0.599 60.5-136.6 -93.6 151.6 32.5 12.0 51.3 262 323 A H E -f 155 0A 44 -108,-2.8 -106,-1.7 -2,-0.2 2,-0.2 -0.800 27.9-172.2-108.3 89.6 32.2 15.7 52.3 263 324 A V E +f 156 0A 37 -2,-0.8 2,-0.3 -108,-0.2 -106,-0.2 -0.539 12.6 166.4 -85.4 146.8 30.7 17.6 49.5 264 325 A F E -f 157 0A 54 -108,-1.5 -106,-3.4 -2,-0.2 2,-0.4 -0.909 22.0-145.1-147.5 159.2 30.3 21.3 49.3 265 326 A I E -f 158 0A 109 -2,-0.3 2,-0.4 -108,-0.2 -106,-0.3 -0.967 5.8-152.6-139.6 118.5 29.5 23.4 46.2 266 327 A L E -f 159 0A 2 -108,-2.6 -106,-1.7 -2,-0.4 2,-0.9 -0.767 21.1-124.1 -94.0 136.9 30.9 26.8 45.5 267 328 A D E > -f 160 0A 92 -2,-0.4 3,-0.6 -108,-0.2 -106,-0.2 -0.718 21.5-169.1 -77.7 107.5 28.9 29.3 43.4 268 329 A Y T 3 + 0 0 2 -108,-2.5 -1,-0.2 -2,-0.9 -107,-0.2 0.401 61.4 103.0 -79.6 4.9 31.3 30.1 40.6 269 330 A D T 3 + 0 0 63 -109,-0.5 -1,-0.2 6,-0.1 -108,-0.1 0.472 68.5 76.4 -66.9 -4.3 29.0 32.9 39.5 270 331 A Q S < S- 0 0 68 -3,-0.6 -2,-0.0 1,-0.1 3,-0.0 -0.192 94.2 -73.1 -99.0-171.4 31.2 35.6 41.1 271 332 A S > - 0 0 73 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.661 52.3-105.3 -81.4 146.5 34.5 37.4 40.3 272 333 A P H > S+ 0 0 64 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.784 117.8 50.5 -35.9 -53.0 37.7 35.2 40.8 273 334 A A H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.985 112.5 44.1 -53.7 -67.5 38.7 37.0 44.0 274 335 A G H > S+ 0 0 11 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.805 108.8 59.9 -47.4 -38.9 35.4 36.6 45.8 275 336 A C H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.975 107.6 44.3 -54.1 -55.2 35.2 33.0 44.5 276 337 A R H X S+ 0 0 50 -4,-2.2 4,-3.1 -3,-0.5 -1,-0.2 0.810 109.8 56.6 -60.0 -32.6 38.4 32.2 46.4 277 338 A D H X S+ 0 0 69 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.959 110.5 44.7 -62.2 -50.2 37.0 34.2 49.4 278 339 A A H X S+ 0 0 22 -4,-3.0 4,-2.6 2,-0.2 3,-0.4 0.971 112.5 50.1 -56.9 -55.6 34.0 31.9 49.4 279 340 A L H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.3 -2,-0.2 0.920 109.9 53.1 -47.7 -47.2 36.3 28.8 48.9 280 341 A L H X S+ 0 0 88 -4,-3.1 4,-0.7 1,-0.2 -1,-0.3 0.898 110.6 46.4 -55.4 -44.5 38.3 30.1 51.8 281 342 A Q H >X S+ 0 0 140 -4,-2.4 4,-0.7 -3,-0.4 3,-0.6 0.846 107.1 55.8 -67.4 -38.4 35.1 30.3 53.9 282 343 A L H 3< S+ 0 0 47 -4,-2.6 3,-0.3 1,-0.2 4,-0.2 0.894 98.0 67.9 -59.3 -38.9 33.9 26.8 52.9 283 344 A T H >< S+ 0 0 35 -4,-2.1 3,-1.9 -5,-0.3 -1,-0.2 0.842 88.1 65.4 -46.1 -46.2 37.3 25.7 54.3 284 345 A S H << S+ 0 0 79 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.931 103.7 41.7 -45.2 -64.1 36.3 26.6 57.8 285 346 A G T 3< S+ 0 0 53 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.317 94.4 112.4 -72.5 8.9 33.5 24.0 58.2 286 347 A M S < S- 0 0 0 -3,-1.9 2,-0.2 -4,-0.2 -279,-0.1 -0.378 72.9-101.2 -81.1 163.2 35.6 21.3 56.5 287 348 A V - 0 0 14 -281,-0.2 -281,-0.6 -2,-0.1 2,-0.3 -0.569 31.9-163.7 -85.8 144.3 36.9 18.2 58.2 288 349 A Q E -B 5 0A 11 -185,-2.0 -186,-1.5 -2,-0.2 2,-0.3 -0.884 8.1-147.6-122.9 157.9 40.6 17.9 59.3 289 350 A T E -BE 4 101A 0 -285,-2.1 -285,-1.3 -2,-0.3 -188,-0.2 -0.939 13.1-120.2-134.5 151.9 42.5 14.7 60.2 290 351 A H - 0 0 61 -190,-2.1 -191,-3.2 -2,-0.3 2,-0.5 -0.367 33.0-123.9 -75.5 163.0 45.2 13.5 62.5 291 352 A V - 0 0 11 -289,-0.3 -193,-0.2 -193,-0.2 5,-0.2 -0.956 7.2-140.6-119.7 118.9 48.3 12.0 60.9 292 353 A T S S+ 0 0 87 -2,-0.5 -1,-0.2 -195,-0.4 -195,-0.1 0.862 89.5 48.4 -39.4 -56.3 49.3 8.5 62.0 293 354 A T S > S- 0 0 56 -197,-0.2 3,-2.2 1,-0.1 4,-0.4 -0.776 80.0-137.4 -92.9 137.0 53.1 9.1 62.0 294 355 A P T 3 S+ 0 0 133 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.772 109.6 50.9 -59.9 -25.5 54.3 12.2 63.8 295 356 A G T 3> S+ 0 0 37 1,-0.2 4,-1.3 2,-0.1 5,-0.1 0.426 84.8 98.4 -90.8 1.9 56.6 12.8 60.9 296 357 A S H <> + 0 0 0 -3,-2.2 4,-3.0 1,-0.2 5,-0.3 0.881 69.6 62.5 -54.8 -50.5 53.8 12.4 58.4 297 358 A I H > S+ 0 0 28 -4,-0.4 4,-1.2 -3,-0.3 -1,-0.2 0.887 104.0 46.1 -46.4 -53.4 53.1 16.1 57.8 298 359 A P H >> S+ 0 0 83 0, 0.0 4,-3.0 0, 0.0 3,-0.5 0.933 115.6 47.8 -57.4 -44.0 56.5 16.9 56.3 299 360 A T H 3X S+ 0 0 64 -4,-1.3 4,-2.9 1,-0.3 -2,-0.2 0.884 108.6 53.2 -62.1 -41.8 56.2 13.8 54.1 300 361 A I H 3X S+ 0 0 1 -4,-3.0 4,-1.1 2,-0.2 -1,-0.3 0.706 112.5 49.1 -66.5 -19.8 52.7 14.8 53.1 301 362 A C H