==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 03-JAN-06 2FJX . COMPND 2 MOLECULE: 5'-D(*CP*TP*TP*GP*AP*AP*TP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.D.GOODWIN,M.M.GEORGIADIS . 255 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 16.5 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 . 3 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 . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 3 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 4 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 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 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 24 A T >> 0 0 126 0, 0.0 4,-1.8 0, 0.0 3,-1.2 0.000 360.0 360.0 360.0 39.9 -2.2 59.6 1.4 2 25 A W H 3> + 0 0 62 1,-0.3 4,-1.6 2,-0.2 231,-0.0 0.799 360.0 67.1 -60.0 -28.3 0.9 58.1 -0.3 3 26 A L H 34 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.2 7,-0.2 0.839 107.7 37.7 -61.7 -33.8 1.7 56.4 3.0 4 27 A S H <4 S+ 0 0 73 -3,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.801 113.1 54.5 -88.4 -32.6 -1.4 54.2 2.5 5 28 A D H < S+ 0 0 100 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.719 120.0 32.4 -74.1 -21.5 -1.3 53.7 -1.3 6 29 A F >X + 0 0 20 -4,-1.6 4,-0.7 -5,-0.2 3,-0.6 -0.494 66.3 156.4-135.9 65.7 2.3 52.3 -1.0 7 30 A P T 34 S+ 0 0 69 0, 0.0 3,-0.4 0, 0.0 6,-0.2 0.835 76.6 52.7 -57.8 -37.3 2.6 50.5 2.3 8 31 A Q T 34 S+ 0 0 90 1,-0.2 6,-0.1 -3,-0.1 220,-0.1 0.743 103.0 57.1 -73.6 -26.3 5.5 48.3 1.0 9 32 A A T <4 S+ 0 0 2 -3,-0.6 222,-3.0 221,-0.1 2,-0.4 0.659 92.4 80.2 -81.9 -17.9 7.7 51.3 -0.2 10 33 A W B >X S-a 231 0A 4 -4,-0.7 4,-3.3 -3,-0.4 3,-1.3 -0.751 70.0-142.7 -98.3 139.3 7.9 53.1 3.1 11 34 A A H 3> S+ 0 0 25 220,-3.0 4,-0.7 -2,-0.4 221,-0.1 0.840 102.3 60.8 -62.2 -33.2 10.3 52.2 5.9 12 35 A E H 34 S+ 0 0 93 219,-0.4 -1,-0.3 1,-0.2 220,-0.1 0.616 124.3 14.2 -71.8 -12.7 7.5 53.2 8.4 13 36 A T H <4 S+ 0 0 68 -3,-1.3 -2,-0.2 -6,-0.2 -1,-0.2 0.535 119.4 59.8-136.8 -16.7 5.1 50.5 7.1 14 37 A G H < S- 0 0 24 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.1 0.567 92.6-135.2 -94.2 -8.3 7.0 48.0 4.9 15 38 A G < - 0 0 40 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 -0.177 53.1 -19.2 81.0 179.6 9.5 46.8 7.5 16 39 A M S S- 0 0 59 1,-0.1 114,-0.1 -4,-0.1 213,-0.0 -0.337 76.7-123.7 -60.6 136.2 13.2 46.4 7.0 17 40 A G - 0 0 2 112,-0.2 2,-0.2 113,-0.1 212,-0.2 -0.131 24.8-173.7 -77.5 175.6 14.2 46.1 3.4 18 41 A L - 0 0 54 210,-2.2 2,-1.5 118,-0.0 117,-0.2 -0.713 28.3-129.2-171.0 114.3 16.1 43.4 1.5 19 42 A A > - 0 0 1 115,-3.3 3,-1.2 -2,-0.2 117,-0.3 -0.573 27.7-175.0 -74.2 90.6 17.1 43.8 -2.2 20 43 A V T 3 S+ 0 0 83 -2,-1.5 -1,-0.2 207,-1.1 208,-0.1 0.691 76.9 53.9 -62.4 -23.8 15.7 40.5 -3.5 21 44 A R T 3 S+ 0 0 156 206,-0.5 2,-0.5 -3,-0.1 -1,-0.2 0.605 91.4 89.3 -88.1 -12.4 17.0 40.8 -7.0 22 45 A Q S < S- 0 0 19 -3,-1.2 114,-0.3 1,-0.0 3,-0.1 -0.760 77.2-128.1 -93.5 124.4 20.6 41.3 -5.9 23 46 A A - 0 0 72 -2,-0.5 115,-0.1 1,-0.1 3,-0.1 -0.363 43.6 -85.7 -65.5 144.3 22.9 38.3 -5.4 24 47 A P - 0 0 46 0, 0.0 113,-0.3 0, 0.0 2,-0.2 -0.282 55.7-110.6 -51.7 131.0 24.7 38.2 -2.0 25 48 A L B -c 137 0B 26 111,-2.8 113,-3.0 -3,-0.1 2,-0.5 -0.454 23.2-153.4 -73.7 133.7 27.8 40.3 -2.3 26 49 A I - 0 0 106 -2,-0.2 -1,-0.0 111,-0.2 -3,-0.0 -0.920 10.7-149.1-105.3 129.2 31.3 38.6 -2.3 27 50 A I - 0 0 13 -2,-0.5 2,-0.2 111,-0.1 117,-0.0 -0.851 11.6-143.5-103.6 102.7 34.0 41.0 -1.0 28 51 A P - 0 0 86 0, 0.0 72,-1.8 0, 0.0 2,-0.2 -0.426 12.2-142.9 -69.4 136.1 37.4 40.3 -2.7 29 52 A L B -D 99 0C 68 70,-0.3 70,-0.3 -2,-0.2 69,-0.1 -0.560 28.6 -91.7 -92.3 159.6 40.5 40.7 -0.5 30 53 A K > - 0 0 73 68,-2.6 3,-1.6 -2,-0.2 -1,-0.1 -0.342 46.7-101.3 -65.7 154.3 43.9 42.0 -1.7 31 54 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.751 118.2 35.9 -49.2 -36.4 46.3 39.3 -2.9 32 55 A T T 3 S+ 0 0 136 2,-0.0 -1,-0.3 66,-0.0 2,-0.0 0.340 85.6 132.9-104.2 6.4 48.4 39.2 0.3 33 56 A S < - 0 0 32 -3,-1.6 -4,-0.1 65,-0.2 65,-0.0 -0.290 28.5-178.4 -65.6 140.7 45.7 39.8 3.0 34 57 A T - 0 0 92 -2,-0.0 -2,-0.0 1,-0.0 64,-0.0 -0.950 41.2 -84.7-131.5 148.5 45.5 37.6 6.1 35 58 A P - 0 0 56 0, 0.0 2,-0.4 0, 0.0 36,-0.1 -0.181 39.5-155.0 -55.8 147.5 42.9 38.0 8.8 36 59 A V - 0 0 26 2,-0.0 36,-2.0 -3,-0.0 2,-0.6 -0.986 3.5-160.8-125.8 135.6 43.5 40.5 11.6 37 60 A S B -e 72 0D 84 -2,-0.4 2,-0.4 34,-0.3 36,-0.2 -0.919 7.7-166.8-122.1 103.1 42.0 40.3 15.0 38 61 A I - 0 0 47 34,-3.2 -2,-0.0 -2,-0.6 2,-0.0 -0.766 25.8-116.1 -92.6 131.0 41.9 43.5 17.0 39 62 A K - 0 0 159 -2,-0.4 2,-0.5 1,-0.1 -1,-0.1 -0.347 27.7-116.8 -65.3 142.8 41.1 43.3 20.7 40 63 A Q - 0 0 20 33,-0.1 -1,-0.1 34,-0.1 3,-0.1 -0.709 27.4-126.2 -82.8 122.6 38.0 45.0 21.8 41 64 A Y - 0 0 100 -2,-0.5 34,-0.1 34,-0.2 -1,-0.0 -0.478 40.9 -89.2 -68.2 141.2 38.7 47.8 24.2 42 65 A P - 0 0 132 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.188 44.3-145.6 -50.9 136.3 36.7 47.4 27.5 43 66 A M - 0 0 23 -3,-0.1 33,-0.0 33,-0.0 -3,-0.0 -0.919 13.7-118.8-111.2 136.0 33.4 49.1 27.2 44 67 A S > - 0 0 69 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.196 25.2-114.3 -65.5 161.6 31.8 50.8 30.2 45 68 A Q H > S+ 0 0 125 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.900 117.2 58.4 -65.0 -37.8 28.4 49.6 31.4 46 69 A E H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.929 109.7 42.6 -56.3 -46.8 26.9 52.9 30.3 47 70 A A H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 114.2 51.0 -67.0 -44.5 28.0 52.4 26.8 48 71 A R H X S+ 0 0 48 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.888 110.9 47.8 -61.0 -41.9 27.0 48.7 26.7 49 72 A L H < S+ 0 0 78 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.852 112.2 51.1 -67.9 -33.4 23.5 49.4 28.0 50 73 A G H < S+ 0 0 21 -4,-1.6 4,-0.3 -5,-0.3 36,-0.2 0.860 116.6 39.7 -71.0 -34.6 23.2 52.2 25.4 51 74 A I H >X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.1 3,-1.0 0.832 96.5 80.5 -82.4 -36.2 24.3 49.9 22.6 52 75 A K H 3X S+ 0 0 80 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.798 87.2 53.9 -41.2 -50.6 22.4 46.8 23.6 53 76 A P H 3> S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.890 110.0 49.0 -57.5 -39.6 18.9 47.7 22.3 54 77 A H H <> S+ 0 0 53 -3,-1.0 4,-2.2 -4,-0.3 -2,-0.2 0.916 111.5 48.7 -66.1 -43.4 20.4 48.3 18.8 55 78 A I H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.909 111.4 49.4 -63.4 -42.7 22.3 45.0 18.8 56 79 A Q H X S+ 0 0 90 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.911 109.9 51.4 -64.3 -41.1 19.2 43.1 19.9 57 80 A R H X S+ 0 0 102 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.921 111.0 47.7 -61.0 -45.2 17.1 44.7 17.2 58 81 A L H <>S+ 0 0 10 -4,-2.2 5,-1.9 2,-0.2 6,-1.6 0.860 111.9 50.5 -65.0 -35.6 19.7 43.8 14.5 59 82 A L H ><5S+ 0 0 34 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.921 110.5 48.8 -67.7 -43.8 19.8 40.2 15.9 60 83 A D H 3<5S+ 0 0 122 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.827 111.6 50.9 -64.7 -30.2 16.0 39.9 15.8 61 84 A Q T 3<5S- 0 0 71 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.529 112.0-121.5 -84.1 -7.4 16.1 41.3 12.2 62 85 A G T < 5S+ 0 0 31 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.563 84.1 115.9 78.3 7.8 18.7 38.8 11.2 63 86 A I S > + 0 0 3 -2,-1.2 4,-3.4 76,-0.2 3,-0.7 0.224 37.7 113.1 -93.7 14.7 36.7 48.8 10.1 93 116 A R H 3> S+ 0 0 164 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.877 77.0 49.7 -56.3 -40.4 39.9 50.6 9.0 94 117 A E H 34 S+ 0 0 52 -3,-0.4 4,-0.4 2,-0.2 -1,-0.3 0.775 114.7 45.9 -70.4 -24.8 42.1 47.5 9.4 95 118 A V H X> S+ 0 0 0 -3,-0.7 3,-1.4 2,-0.2 4,-0.7 0.906 109.0 54.7 -79.9 -44.8 39.6 45.5 7.3 96 119 A N H >< S+ 0 0 24 -4,-3.4 3,-1.1 1,-0.3 -2,-0.2 0.888 103.5 57.1 -54.0 -41.0 39.3 48.2 4.7 97 120 A K T 3< S+ 0 0 120 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.745 108.4 46.9 -62.3 -25.7 43.1 48.1 4.3 98 121 A R T <4 S+ 0 0 58 -3,-1.4 -68,-2.6 -4,-0.4 2,-0.4 0.492 93.1 92.4 -98.2 -2.1 42.9 44.4 3.4 99 122 A V B << S-D 29 0C 1 -3,-1.1 -70,-0.3 -4,-0.7 -68,-0.0 -0.755 85.1-106.6 -95.3 135.7 40.1 44.6 0.9 100 123 A E - 0 0 95 -72,-1.8 2,-0.1 -2,-0.4 -2,-0.1 -0.293 39.8-114.4 -59.2 138.4 40.8 45.0 -2.8 101 124 A D - 0 0 102 -4,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.408 27.0-157.7 -74.6 151.9 40.0 48.5 -4.1 102 125 A I - 0 0 63 -2,-0.1 72,-0.0 0, 0.0 -1,-0.0 -0.881 33.3 -88.2-124.1 158.8 37.2 49.1 -6.6 103 126 A H - 0 0 147 -2,-0.3 2,-1.0 1,-0.1 0, 0.0 -0.488 41.9-118.2 -68.9 134.6 36.8 52.1 -8.9 104 127 A P + 0 0 93 0, 0.0 -1,-0.1 0, 0.0 67,-0.0 -0.620 42.5 167.1 -75.1 103.3 34.8 55.0 -7.3 105 128 A T + 0 0 59 -2,-1.0 -2,-0.0 2,-0.1 69,-0.0 0.512 36.6 108.6 -98.0 -6.4 31.7 55.2 -9.6 106 129 A V - 0 0 34 1,-0.1 93,-0.1 93,-0.0 68,-0.1 -0.612 69.6-129.9 -73.7 122.4 29.5 57.5 -7.5 107 130 A P - 0 0 48 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.315 23.3-106.9 -67.7 153.6 29.4 60.9 -9.2 108 131 A N >> - 0 0 79 1,-0.1 4,-2.3 91,-0.0 3,-0.5 -0.613 33.7-110.9 -80.1 147.4 30.0 63.9 -7.0 109 132 A P H 3> S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.840 114.9 58.7 -43.9 -42.2 26.8 65.9 -6.3 110 133 A Y H 3> S+ 0 0 168 1,-0.2 4,-0.6 2,-0.2 145,-0.0 0.947 111.1 39.1 -57.5 -51.0 28.0 68.8 -8.5 111 134 A N H X4 S+ 0 0 90 -3,-0.5 3,-0.7 1,-0.2 4,-0.3 0.867 112.7 57.1 -68.4 -35.8 28.3 66.7 -11.6 112 135 A L H >< S+ 0 0 25 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.914 104.4 52.4 -60.9 -42.9 25.2 64.7 -10.9 113 136 A L H >< S+ 0 0 7 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.664 91.2 75.2 -68.8 -16.4 23.1 67.8 -10.7 114 137 A S T << S+ 0 0 95 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.681 85.9 66.8 -69.2 -15.1 24.3 69.0 -14.1 115 138 A G T < S+ 0 0 40 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.1 0.098 76.1 102.0 -93.0 23.9 22.0 66.3 -15.6 116 139 A L < - 0 0 22 -3,-1.3 -1,-0.0 137,-0.1 139,-0.0 -0.907 64.8-145.8-112.3 106.1 18.9 68.1 -14.4 117 140 A P > - 0 0 42 0, 0.0 3,-1.3 0, 0.0 -2,-0.1 -0.338 17.3-127.5 -69.5 148.2 17.1 70.0 -17.3 118 141 A P T 3 S+ 0 0 100 0, 0.0 136,-0.0 0, 0.0 134,-0.0 0.745 106.9 71.2 -65.7 -22.3 15.3 73.3 -16.7 119 142 A S T 3 S+ 0 0 72 1,-0.2 2,-0.8 2,-0.1 88,-0.0 0.740 89.6 64.9 -65.6 -25.5 12.3 71.7 -18.4 120 143 A H < + 0 0 23 -3,-1.3 88,-0.2 1,-0.1 -1,-0.2 -0.852 53.8 146.3-104.6 99.9 11.8 69.4 -15.4 121 144 A Q + 0 0 67 -2,-0.8 2,-0.8 86,-0.5 131,-0.2 0.357 43.2 94.2-114.6 3.5 10.8 71.6 -12.4 122 145 A W E -I 207 0G 50 85,-1.9 85,-2.0 87,-0.1 2,-0.2 -0.865 63.7-168.3 -98.9 107.4 8.4 69.3 -10.5 123 146 A Y E -IJ 206 240G 2 117,-2.7 117,-3.3 -2,-0.8 2,-0.4 -0.641 24.4-174.9-104.4 156.3 10.6 67.4 -8.0 124 147 A T E -I 205 0G 1 81,-1.6 81,-2.9 -2,-0.2 2,-0.5 -0.972 11.5-164.9-143.8 123.5 10.3 64.5 -5.7 125 148 A V E +IJ 204 237G 9 112,-2.6 112,-2.5 -2,-0.4 2,-0.4 -0.963 10.4 173.7-119.0 126.4 13.0 63.6 -3.2 126 149 A L E -I 203 0G 2 77,-2.0 77,-3.2 -2,-0.5 2,-0.4 -0.971 15.1-158.7-128.5 141.5 13.3 60.3 -1.4 127 150 A D E -I 202 0G 26 -2,-0.4 105,-2.2 105,-0.3 2,-0.4 -0.985 23.2-126.5-120.2 132.7 16.0 58.9 0.8 128 151 A L B > -B 231 0A 4 73,-2.9 3,-0.8 -2,-0.4 2,-0.3 -0.663 22.7-129.1 -82.9 129.5 16.3 55.2 1.3 129 152 A K T 3 S- 0 0 103 101,-2.7 101,-0.3 -2,-0.4 -112,-0.2 -0.590 83.0 -7.8 -80.5 135.2 16.3 54.0 4.9 130 153 A D T 3> S+ 0 0 60 -2,-0.3 4,-0.6 1,-0.1 -1,-0.3 0.897 82.2 173.5 46.1 48.1 19.0 51.6 6.1 131 154 A A T X4 + 0 0 3 -3,-0.8 3,-1.7 1,-0.2 4,-0.4 0.901 67.9 49.9 -52.1 -53.4 20.1 51.3 2.4 132 155 A F G >4 S+ 0 0 21 1,-0.3 3,-2.1 2,-0.2 33,-0.8 0.904 103.3 61.2 -57.7 -41.1 23.3 49.3 2.9 133 156 A F G 34 S+ 0 0 18 1,-0.3 -1,-0.3 31,-0.2 -2,-0.2 0.670 90.9 69.6 -61.2 -15.3 21.4 46.7 5.1 134 157 A C G << S+ 0 0 1 -3,-1.7 -115,-3.3 -4,-0.6 2,-0.6 0.729 86.6 78.6 -74.4 -19.5 19.2 46.0 2.1 135 158 A L S < S- 0 0 2 -3,-2.1 30,-2.5 -4,-0.4 -1,-0.1 -0.799 80.2-136.5 -95.8 117.2 22.1 44.3 0.3 136 159 A R B -L 164 0H 79 -2,-0.6 -111,-2.8 -117,-0.3 2,-0.4 -0.361 9.5-137.2 -69.2 149.2 23.0 40.8 1.5 137 160 A L B -c 25 0B 2 26,-2.6 -111,-0.2 -113,-0.3 5,-0.1 -0.890 27.3-110.5-104.4 135.2 26.6 39.7 2.1 138 161 A H >> - 0 0 62 -113,-3.0 3,-1.8 -2,-0.4 4,-1.1 -0.376 29.0-116.7 -62.5 142.9 27.6 36.3 0.8 139 162 A P T 34 S+ 0 0 83 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.808 114.3 61.5 -52.0 -31.7 28.2 33.9 3.7 140 163 A T T 34 S+ 0 0 108 1,-0.2 4,-0.1 2,-0.1 -114,-0.1 0.779 109.2 41.1 -67.7 -25.4 31.9 33.6 2.6 141 164 A S T X4 S+ 0 0 8 -3,-1.8 3,-1.0 -116,-0.2 4,-0.4 0.584 93.1 84.2 -97.6 -13.4 32.4 37.3 3.2 142 165 A Q G >< S+ 0 0 35 -4,-1.1 3,-1.5 1,-0.2 20,-0.4 0.872 80.4 62.4 -58.7 -41.0 30.4 37.7 6.4 143 166 A P G > S+ 0 0 44 0, 0.0 3,-1.4 0, 0.0 -72,-0.3 0.761 88.8 73.4 -57.6 -25.6 33.3 36.6 8.7 144 167 A L G < S+ 0 0 8 -3,-1.0 -2,-0.2 1,-0.3 -72,-0.1 0.821 97.1 46.8 -58.5 -32.4 35.4 39.6 7.6 145 168 A F G < S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.4 17,-0.1 0.118 81.4 140.2-102.6 22.5 33.2 42.1 9.6 146 169 A A < + 0 0 0 -3,-1.4 -73,-1.8 15,-0.1 2,-0.3 -0.231 22.7 176.2 -68.9 151.4 33.0 40.3 12.9 147 170 A F E -G 160 0E 0 13,-2.3 13,-2.7 -75,-0.2 2,-0.3 -0.940 32.0 -97.9-146.8 165.1 33.2 42.0 16.3 148 171 A E E -G 159 0E 55 -75,-0.4 2,-0.4 -2,-0.3 11,-0.2 -0.654 32.0-171.5 -91.1 142.3 32.9 41.0 19.9 149 172 A W + 0 0 17 9,-3.1 2,-0.4 -2,-0.3 6,-0.1 -0.975 6.1 176.0-138.0 126.5 29.7 41.4 21.9 150 173 A R - 0 0 99 -2,-0.4 7,-0.1 4,-0.1 6,-0.0 -0.978 25.8-129.3-127.4 137.9 29.3 40.8 25.7 151 174 A D - 0 0 31 -2,-0.4 2,-0.5 5,-0.2 4,-0.3 -0.593 38.2 -98.6 -85.2 149.4 26.2 41.4 27.7 152 175 A P S S- 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -103,-0.0 0.378 115.7 -7.9 -48.5 8.3 26.4 43.5 30.9 153 176 A E S S+ 0 0 156 -2,-0.5 2,-0.2 0, 0.0 -2,-0.0 0.241 140.9 3.8-172.2 -37.8 26.6 40.2 32.8 154 177 A M S S+ 0 0 124 -4,-0.0 2,-0.2 0, 0.0 3,-0.1 -0.640 71.9 142.1-170.1 105.6 25.9 37.3 30.4 155 178 A G - 0 0 11 1,-0.3 -5,-0.0 -4,-0.3 -6,-0.0 -0.696 50.2 -25.9-135.3-172.3 25.4 37.3 26.7 156 179 A I S S- 0 0 48 -2,-0.2 -1,-0.3 1,-0.1 -5,-0.2 0.174 73.6 -93.6 -34.4 150.8 26.0 35.5 23.4 157 180 A S S S- 0 0 113 -3,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.866 76.6 -69.6 -35.9 -68.3 29.1 33.3 23.1 158 181 A G S S+ 0 0 24 1,-0.4 -9,-3.1 -91,-0.2 2,-0.2 0.221 97.3 42.6-156.4 -74.0 31.5 35.9 21.7 159 182 A Q E -FG 67 148E 34 -92,-0.8 -92,-2.1 -11,-0.2 -1,-0.4 -0.605 46.7-169.6 -98.2 156.1 31.5 37.3 18.2 160 183 A L E -FG 66 147E 0 -13,-2.7 -13,-2.3 -94,-0.3 2,-0.3 -0.922 9.1-170.4-132.2 155.3 28.7 38.6 16.0 161 184 A T E -F 65 0E 2 -96,-2.4 -96,-2.3 -2,-0.3 2,-0.3 -0.960 24.8 -97.9-146.1 167.8 28.9 39.6 12.3 162 185 A W E -F 64 0E 19 -20,-0.4 -98,-0.2 -2,-0.3 -17,-0.2 -0.600 13.7-168.9 -87.4 142.8 26.8 41.3 9.6 163 186 A T S S+ 0 0 20 -100,-2.4 -26,-2.6 -2,-0.3 2,-0.3 0.359 78.7 52.7-107.1 1.9 24.7 39.4 7.0 164 187 A R B S-L 136 0H 26 -101,-0.5 -28,-0.2 -28,-0.3 -31,-0.2 -0.851 109.4 -69.8-130.8 164.8 24.3 42.7 5.1 165 188 A L - 0 0 0 -30,-2.5 -30,-0.2 -33,-0.8 2,-0.1 -0.377 63.9-135.4 -55.8 119.5 26.6 45.4 3.6 166 189 A P > - 0 0 0 0, 0.0 3,-1.1 0, 0.0 6,-0.2 -0.428 6.4-110.5 -88.2 156.9 27.9 47.2 6.8 167 190 A Q T 3 S+ 0 0 109 1,-0.2 -77,-0.1 -2,-0.1 3,-0.1 -0.442 103.3 35.3 -71.3 152.5 28.4 50.8 7.7 168 191 A G T 3 S+ 0 0 48 1,-0.3 2,-0.5 -2,-0.1 -1,-0.2 0.343 83.2 125.9 85.2 -9.7 32.0 51.8 7.9 169 192 A F X - 0 0 6 -3,-1.1 3,-1.8 1,-0.1 -1,-0.3 -0.751 62.9-133.8 -86.6 127.8 33.1 49.5 5.1 170 193 A K T 3 S+ 0 0 63 -2,-0.5 4,-0.3 1,-0.3 -1,-0.1 0.750 100.4 44.3 -54.1 -31.2 35.0 51.6 2.4 171 194 A N T 3> S+ 0 0 15 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.426 83.2 96.9 -97.6 3.4 33.1 50.1 -0.5 172 195 A S H <> S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.2 5,-0.3 0.932 83.1 49.1 -60.1 -47.3 29.6 50.2 0.8 173 196 A P H > S+ 0 0 52 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.940 115.9 43.0 -57.3 -48.4 28.5 53.5 -0.9 174 197 A T H > S+ 0 0 17 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.923 115.0 48.4 -64.0 -46.1 29.8 52.4 -4.3 175 198 A L H X S+ 0 0 31 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.885 114.1 47.3 -64.4 -37.5 28.5 48.9 -4.2 176 199 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 5,-0.3 0.968 111.5 49.6 -68.3 -48.0 25.1 50.2 -3.1 177 200 A D H X S+ 0 0 2 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.913 113.6 47.1 -55.7 -43.8 25.0 52.9 -5.8 178 201 A E H X S+ 0 0 60 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.896 111.5 51.0 -66.8 -38.1 25.9 50.3 -8.4 179 202 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.933 110.5 47.0 -66.0 -45.1 23.3 47.8 -7.1 180 203 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.866 107.9 57.2 -66.7 -32.8 20.4 50.3 -7.1 181 204 A H H X S+ 0 0 69 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.921 108.0 47.7 -62.5 -41.5 21.4 51.4 -10.7 182 205 A R H >< S+ 0 0 128 -4,-1.8 3,-0.8 1,-0.2 4,-0.4 0.934 113.7 47.5 -63.7 -44.1 21.0 47.8 -11.8 183 206 A D H 3< S+ 0 0 21 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.754 115.9 43.2 -69.6 -24.6 17.7 47.5 -10.1 184 207 A L H 3X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.369 84.0 97.9-103.1 5.5 16.3 50.8 -11.4 185 208 A A H S+ 0 0 98 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.905 107.3 56.4 -65.4 -41.7 14.2 49.1 -16.2 187 210 A F H > S+ 0 0 7 -4,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.913 106.6 50.9 -55.8 -43.1 12.3 51.9 -14.5 188 211 A R H >< S+ 0 0 86 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.925 111.0 48.3 -60.6 -44.6 14.4 54.4 -16.4 189 212 A I H 3< S+ 0 0 119 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 110.7 50.6 -64.7 -35.6 13.6 52.6 -19.7 190 213 A Q H 3< S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.585 115.4 44.2 -79.9 -9.4 9.8 52.5 -18.9 191 214 A H X< + 0 0 56 -4,-0.8 3,-1.6 -3,-0.8 -1,-0.3 -0.534 63.1 162.7-135.7 68.4 9.8 56.2 -18.1 192 215 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.796 76.3 55.1 -54.7 -36.2 11.9 58.0 -20.8 193 216 A D T 3 S+ 0 0 118 2,-0.1 2,-0.3 19,-0.0 15,-0.2 0.550 93.3 89.2 -79.3 -8.8 10.4 61.4 -20.0 194 217 A L < - 0 0 27 -3,-1.6 2,-0.5 -6,-0.2 13,-0.2 -0.659 67.2-142.5 -94.3 148.3 11.4 61.3 -16.3 195 218 A I E -K 206 0G 38 11,-2.6 11,-2.9 -2,-0.3 2,-0.5 -0.937 19.4-175.2-108.0 123.3 14.7 62.4 -14.9 196 219 A L E -K 205 0G 8 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.970 4.5-170.7-125.1 118.9 16.1 60.2 -12.1 197 220 A L E -K 204 0G 11 7,-2.8 7,-2.2 -2,-0.5 2,-0.4 -0.907 5.5-165.5-108.2 133.5 19.2 61.2 -10.2 198 221 A Q E +K 203 0G 2 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.979 17.7 171.9-123.4 128.9 20.8 58.7 -7.8 199 222 A Y E > -K 202 0G 70 3,-1.9 3,-2.2 -2,-0.4 2,-0.6 -0.781 69.5 -76.4-133.2 85.0 23.4 59.5 -5.2 200 223 A V T 3 S- 0 0 14 -2,-0.4 -1,-0.1 1,-0.3 -20,-0.0 -0.442 118.4 -5.4 59.0-104.8 23.7 56.3 -3.2 201 224 A D T 3 S+ 0 0 50 -2,-0.6 -73,-2.9 -3,-0.1 2,-0.6 0.339 117.2 91.1-100.9 7.3 20.6 56.4 -1.0 202 225 A D E < -IK 127 199G 48 -3,-2.2 -3,-1.9 -75,-0.2 2,-0.4 -0.906 57.6-170.5-108.6 115.3 19.4 59.8 -2.1 203 226 A L E -IK 126 198G 2 -77,-3.2 -77,-2.0 -2,-0.6 2,-0.4 -0.844 12.2-169.2-111.0 141.0 17.0 59.9 -5.0 204 227 A L E -IK 125 197G 0 -7,-2.2 -7,-2.8 -2,-0.4 2,-0.5 -0.987 4.9-168.5-127.6 120.2 15.7 62.9 -7.1 205 228 A L E -IK 124 196G 1 -81,-2.9 -81,-1.6 -2,-0.4 2,-0.4 -0.917 7.7-168.5-108.7 133.6 12.9 62.4 -9.5 206 229 A A E +IK 123 195G 0 -11,-2.9 -11,-2.6 -2,-0.5 2,-0.3 -0.986 7.4 175.9-128.0 133.5 12.1 65.2 -12.0 207 230 A A E -I 122 0G 0 -85,-2.0 -85,-1.9 -2,-0.4 -86,-0.5 -0.858 37.7-122.4-130.1 164.7 9.1 65.6 -14.3 208 231 A T S S+ 0 0 80 -2,-0.3 -87,-0.3 -88,-0.2 2,-0.2 0.835 93.8 19.7 -75.2 -34.6 7.8 68.2 -16.7 209 232 A S S > S- 0 0 39 -87,-0.1 4,-1.3 -89,-0.1 5,-0.1 -0.793 80.3-107.6-131.0 173.5 4.4 68.6 -14.9 210 233 A E H > S+ 0 0 107 -2,-0.2 4,-2.1 2,-0.2 5,-0.2 0.830 118.6 52.7 -69.6 -32.9 2.7 67.9 -11.5 211 234 A L H > S+ 0 0 88 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.948 108.6 47.0 -68.1 -50.8 0.8 65.0 -13.1 212 235 A D H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.798 112.7 52.9 -61.8 -27.6 3.8 63.3 -14.5 213 236 A C H X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 -1,-0.2 0.904 111.3 43.4 -75.0 -42.2 5.5 63.8 -11.2 214 237 A Q H X S+ 0 0 56 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.900 118.0 46.4 -69.4 -39.0 2.7 62.2 -9.2 215 238 A Q H X S+ 0 0 103 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.935 116.2 45.4 -66.5 -46.1 2.4 59.4 -11.8 216 239 A G H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.920 112.4 50.0 -63.1 -45.7 6.2 59.0 -11.8 217 240 A T H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.921 109.0 52.7 -59.9 -45.2 6.5 59.0 -8.0 218 241 A R H X S+ 0 0 92 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.933 113.2 44.2 -56.0 -47.4 3.7 56.4 -7.7 219 242 A A H X S+ 0 0 26 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.864 113.5 49.7 -66.8 -38.4 5.6 54.1 -10.1 220 243 A L H X S+ 0 0 2 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.939 112.0 47.8 -66.9 -45.8 9.0 54.7 -8.4 221 244 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.917 113.1 48.8 -60.4 -42.9 7.6 54.0 -5.0 222 245 A Q H X S+ 0 0 100 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.915 114.0 46.6 -63.6 -41.8 5.9 50.9 -6.3 223 246 A T H X S+ 0 0 42 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.926 112.5 48.3 -66.2 -47.1 9.1 49.7 -8.0 224 247 A L H X>S+ 0 0 1 -4,-3.2 5,-2.4 2,-0.2 4,-1.2 0.936 112.9 48.4 -59.5 -47.9 11.3 50.4 -5.0 225 248 A G H ><5S+ 0 0 1 -4,-2.4 3,-0.7 -5,-0.2 -1,-0.2 0.933 111.9 49.2 -57.9 -47.6 9.0 48.6 -2.6 226 249 A N H 3<5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.829 109.6 52.3 -61.0 -34.7 8.7 45.6 -4.9 227 250 A L H 3<5S- 0 0 4 -4,-2.0 -207,-1.1 -5,-0.1 -206,-0.5 0.688 122.7-104.5 -76.3 -20.0 12.5 45.5 -5.3 228 251 A G T <<5S+ 0 0 6 -4,-1.2 -210,-2.2 -3,-0.7 -3,-0.2 0.510 77.9 125.8 109.5 6.7 12.9 45.4 -1.5 229 252 A Y < - 0 0 0 -5,-2.4 2,-0.4 -212,-0.2 -1,-0.4 -0.544 44.1-148.4 -93.9 163.9 14.1 49.0 -0.8 230 253 A R - 0 0 26 -101,-0.3 -101,-2.7 -2,-0.2 2,-0.2 -0.994 4.2-156.0-139.2 130.2 12.4 51.4 1.7 231 254 A A B -aB 10 128A 0 -222,-3.0 -220,-3.0 -2,-0.4 2,-0.8 -0.684 29.5-104.7-102.5 157.3 12.1 55.1 1.6 232 255 A S > - 0 0 12 -105,-2.2 4,-1.4 -2,-0.2 -105,-0.3 -0.716 25.3-170.5 -83.8 111.6 11.6 57.5 4.5 233 256 A A T 4 S+ 0 0 26 -2,-0.8 -1,-0.2 1,-0.2 -230,-0.1 0.889 86.9 58.1 -66.5 -37.4 8.0 58.7 4.6 234 257 A K T 4 S+ 0 0 177 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.901 115.8 31.8 -58.1 -46.8 8.9 61.2 7.2 235 258 A K T 4 S+ 0 0 140 -108,-0.1 -1,-0.2 2,-0.0 -2,-0.2 0.583 91.2 125.7 -90.1 -11.4 11.6 62.9 5.2 236 259 A A < - 0 0 23 -4,-1.4 2,-0.6 -109,-0.1 -110,-0.2 -0.165 44.2-160.8 -53.6 136.1 9.9 62.4 1.8 237 260 A Q E -J 125 0G 48 -112,-2.5 -112,-2.6 7,-0.1 2,-0.4 -0.897 16.9-165.5-120.6 95.6 9.3 65.5 -0.4 238 261 A I E - 0 0 27 -2,-0.6 -114,-0.2 -114,-0.2 -115,-0.1 -0.709 56.8 -23.0 -93.7 135.2 6.7 64.5 -2.9 239 262 A C E S+ 0 0 15 -2,-0.4 2,-0.3 -26,-0.2 -115,-0.2 0.866 86.3 160.0 32.8 72.6 5.8 66.5 -6.0 240 263 A Q E -J 123 0G 97 -117,-3.3 -117,-2.7 -3,-0.3 -1,-0.1 -0.866 49.2-142.3-119.6 152.9 7.2 69.9 -4.9 241 264 A K S S+ 0 0 91 -2,-0.3 11,-0.6 1,-0.2 2,-0.4 0.643 98.4 36.9 -83.5 -16.7 8.2 72.9 -6.9 242 265 A Q E S+M 251 0I 80 9,-0.1 2,-0.3 -119,-0.1 -1,-0.2 -0.996 73.8 164.3-139.4 128.8 11.0 73.4 -4.3 243 266 A V E -M 250 0I 1 7,-1.7 7,-3.1 -2,-0.4 2,-0.5 -0.952 35.5-121.0-142.8 161.8 13.0 70.6 -2.6 244 267 A K E +M 249 0I 139 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.916 37.7 169.4-104.0 124.6 16.2 70.1 -0.6 245 268 A Y E > -M 248 0I 4 3,-2.5 3,-2.0 -2,-0.5 -2,-0.1 -0.949 62.6 -19.7-143.9 120.8 18.6 67.6 -2.3 246 269 A L T 3 S- 0 0 36 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.874 127.8 -48.5 54.2 42.3 22.2 66.8 -1.4 247 270 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.417 119.2 109.2 81.7 -4.0 22.6 70.0 0.5 248 271 A Y E < -M 245 0I 67 -3,-2.0 -3,-2.5 7,-0.0 2,-0.7 -0.698 65.5-134.6-104.5 158.7 21.1 72.1 -2.3 249 272 A L E -M 244 0I 62 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.943 21.2-152.1-111.9 107.5 17.8 73.9 -2.5 250 273 A L E +M 243 0I 1 -7,-3.1 -7,-1.7 -2,-0.7 2,-0.3 -0.736 33.8 145.8 -84.4 118.5 16.3 73.2 -5.9 251 274 A K E > -MN 242 254I 92 3,-0.9 3,-2.6 -2,-0.6 -9,-0.1 -0.963 63.2 -2.2-156.5 134.6 14.0 76.0 -6.9 252 275 A E T 3 S- 0 0 135 -11,-0.6 3,-0.1 -2,-0.3 -10,-0.1 0.800 123.9 -65.3 55.3 29.6 13.1 77.7 -10.2 253 276 A G T 3 S+ 0 0 24 1,-0.2 2,-0.4 -132,-0.1 -1,-0.3 0.580 97.8 147.5 71.4 8.3 15.5 75.3 -11.9 254 277 A Q B < N 251 0I 129 -3,-2.6 -3,-0.9 -5,-0.1 -1,-0.2 -0.675 360.0 360.0 -83.9 127.9 18.4 77.0 -10.0 255 278 A R 0 0 163 -2,-0.4 -139,-0.1 -5,-0.1 -5,-0.0 -0.256 360.0 360.0 91.4 360.0 21.3 74.7 -9.1