==== 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/RNA/DNA 05-AUG-08 3E2E . COMPND 2 MOLECULE: DNA-DIRECTED RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T7; . AUTHOR K.J.DURNIAK,S.BAILEY,T.A.STEITZ . 832 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 539 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 6.1 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 48 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 3 1 1 0 3 2 3 0 1 0 1 0 2 3 0 0 2 0 0 0 0 1 0 0 0 3 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 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 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 8 A K > 0 0 59 0, 0.0 3,-1.5 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 -39.2 34.5 -59.4 3.7 2 9 A N T 3 + 0 0 160 1,-0.3 161,-0.0 165,-0.0 0, 0.0 0.634 360.0 67.2 -63.6 -15.2 30.9 -60.6 3.0 3 10 A D T 3 S+ 0 0 159 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.625 85.4 85.9 -83.2 -16.7 31.9 -63.8 4.8 4 11 A F S < S- 0 0 57 -3,-1.5 2,-0.1 1,-0.1 0, 0.0 -0.465 83.4-107.3 -82.9 158.5 32.3 -62.2 8.2 5 12 A S > - 0 0 51 -2,-0.1 4,-3.1 1,-0.1 5,-0.2 -0.399 22.4-119.1 -77.9 159.3 29.4 -61.6 10.7 6 13 A D H > S+ 0 0 66 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.850 120.0 53.3 -65.9 -35.0 27.9 -58.2 11.3 7 14 A I H > S+ 0 0 108 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.934 113.6 43.0 -60.1 -48.0 29.0 -58.7 14.9 8 15 A E H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.887 110.8 53.7 -66.2 -43.9 32.5 -59.4 13.6 9 16 A L H < S+ 0 0 14 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.705 112.3 45.8 -66.0 -21.6 32.5 -56.6 11.1 10 17 A A H X S+ 0 0 1 -4,-1.2 4,-0.5 -3,-0.3 -1,-0.2 0.734 116.9 42.9 -91.6 -26.6 31.6 -54.1 13.8 11 18 A A H X S+ 0 0 26 -4,-1.3 4,-3.0 -3,-0.1 -2,-0.2 0.843 101.2 67.3 -87.3 -38.9 34.2 -55.3 16.3 12 19 A I H X S+ 0 0 26 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.882 99.0 48.9 -54.9 -49.0 37.2 -55.8 14.1 13 20 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.950 115.8 45.0 -58.2 -46.9 37.8 -52.1 13.2 14 21 A F H X S+ 0 0 24 -4,-0.5 4,-2.9 2,-0.2 5,-0.2 0.949 114.5 48.0 -58.1 -53.5 37.6 -51.2 16.9 15 22 A N H X S+ 0 0 78 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.909 114.1 43.6 -56.9 -50.9 39.8 -54.1 18.1 16 23 A T H X S+ 0 0 26 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.772 117.9 48.6 -66.4 -25.9 42.6 -53.6 15.6 17 24 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.840 110.9 48.8 -81.3 -36.4 42.4 -49.9 16.3 18 25 A A H X S+ 0 0 20 -4,-2.9 4,-0.5 3,-0.2 5,-0.2 0.684 110.3 53.1 -76.1 -20.4 42.4 -50.4 20.1 19 26 A D H < S+ 0 0 133 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.866 117.7 32.9 -82.0 -39.6 45.5 -52.7 19.9 20 27 A H H < S+ 0 0 76 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.1 0.870 138.4 16.9 -84.0 -38.9 47.7 -50.4 17.9 21 28 A Y H X S- 0 0 17 -4,-2.0 4,-0.5 1,-0.3 -3,-0.2 0.319 109.5-102.6-121.1 5.4 46.6 -47.0 19.2 22 29 A G H X - 0 0 30 -4,-0.5 4,-1.0 -5,-0.2 -1,-0.3 0.020 34.4 -88.6 85.3 159.8 44.7 -47.7 22.5 23 30 A E H > S+ 0 0 113 -5,-0.2 4,-2.1 2,-0.2 5,-0.2 0.744 117.4 71.9 -76.6 -24.6 41.0 -47.8 23.0 24 31 A R H > S+ 0 0 141 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.959 109.7 29.9 -53.6 -58.1 40.9 -44.1 23.8 25 32 A L H X S+ 0 0 17 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.744 112.3 67.8 -75.8 -25.1 41.5 -43.0 20.2 26 33 A A H X S+ 0 0 0 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.883 104.9 43.1 -61.1 -39.2 39.8 -46.1 18.9 27 34 A R H X S+ 0 0 54 -4,-2.1 4,-2.8 -3,-0.2 5,-0.2 0.931 113.1 51.0 -70.5 -47.8 36.5 -44.8 20.2 28 35 A E H X S+ 0 0 67 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.865 107.2 54.0 -59.5 -40.6 37.1 -41.2 19.0 29 36 A Q H X S+ 0 0 1 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.920 113.7 41.2 -61.0 -46.5 37.9 -42.3 15.5 30 37 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.913 113.7 52.1 -67.5 -45.6 34.6 -44.3 15.2 31 38 A A H X S+ 0 0 29 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.872 111.0 49.8 -57.1 -38.3 32.5 -41.6 16.9 32 39 A L H < S+ 0 0 18 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.844 111.7 47.0 -70.2 -37.8 34.0 -39.1 14.4 33 40 A E H < S+ 0 0 8 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.812 119.5 39.1 -75.6 -32.3 33.2 -41.3 11.4 34 41 A H H >X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 2,-1.3 0.463 85.4 103.0 -93.6 -3.6 29.7 -41.9 12.5 35 42 A E H 3X S+ 0 0 36 -4,-0.7 4,-0.5 2,-0.2 -1,-0.2 0.183 71.6 68.8 -63.0 25.6 29.2 -38.4 13.8 36 43 A S H 34 S+ 0 0 26 -2,-1.3 191,-0.2 2,-0.2 -1,-0.2 0.692 106.8 31.6-129.0 -11.7 27.2 -37.7 10.7 37 44 A Y H <> S+ 0 0 64 -3,-0.6 4,-2.8 190,-0.1 5,-0.3 0.080 112.2 66.3 68.6 -89.6 24.5 -39.6 11.3 38 45 A E H X S+ 0 0 55 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.966 112.2 36.3 -55.8 -48.2 24.9 -38.9 15.0 39 46 A M H X S+ 0 0 70 -4,-0.5 4,-3.3 2,-0.2 5,-0.3 0.853 112.3 59.8 -70.1 -35.9 24.1 -35.3 14.3 40 47 A G H > S+ 0 0 17 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.890 111.2 41.8 -57.2 -40.9 21.5 -36.3 11.7 41 48 A E H X S+ 0 0 19 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.822 114.3 52.1 -73.4 -35.8 19.7 -38.2 14.4 42 49 A A H < S+ 0 0 46 -4,-1.7 3,-0.5 -5,-0.3 -2,-0.2 0.900 105.7 52.7 -68.8 -43.4 20.2 -35.4 16.9 43 50 A R H < S+ 0 0 109 -4,-3.3 -1,-0.2 1,-0.2 4,-0.2 0.777 104.4 59.7 -61.7 -27.8 18.8 -32.7 14.6 44 51 A F H < S+ 0 0 13 -4,-0.7 2,-1.5 -5,-0.3 3,-0.4 0.855 96.3 61.7 -68.9 -37.2 15.8 -34.9 14.3 45 52 A R S < S+ 0 0 138 -4,-1.0 -1,-0.2 -3,-0.5 3,-0.2 -0.648 94.1 64.2 -88.4 78.9 15.2 -34.7 18.0 46 53 A K S S+ 0 0 128 -2,-1.5 4,-0.4 -3,-0.1 -1,-0.2 0.659 100.2 48.5-142.8 -48.3 14.6 -30.9 18.1 47 54 A M S S+ 0 0 45 -3,-0.4 176,-0.0 -4,-0.2 55,-0.0 -0.976 102.7 72.5 80.8 5.6 12.0 -31.0 16.3 48 55 A F S S+ 0 0 71 2,-0.3 5,-0.4 -3,-0.2 6,-0.2 0.335 114.2 4.9-146.7 -56.4 10.6 -33.8 18.5 49 56 A E 0 0 156 1,-0.1 -2,-0.1 3,-0.1 -4,-0.0 0.811 360.0 360.0-100.5 -49.0 9.6 -32.3 21.9 50 57 A R 0 0 238 -4,-0.4 -2,-0.3 0, 0.0 -4,-0.1 -0.582 360.0 360.0 -78.2 360.0 10.2 -28.6 21.3 51 ! 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 52 73 A L >> 0 0 125 0, 0.0 3,-1.7 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0 -14.1 2.9 -34.2 16.9 53 74 A I H 3> + 0 0 24 -5,-0.4 4,-1.5 1,-0.3 3,-0.1 0.810 360.0 60.4 -61.0 -33.7 5.8 -36.6 16.1 54 75 A T H 34 S+ 0 0 110 1,-0.2 -1,-0.3 -6,-0.2 -6,-0.0 0.405 109.0 45.9 -76.1 3.3 4.3 -39.4 18.3 55 76 A T H <> S+ 0 0 63 -3,-1.7 4,-1.0 2,-0.1 -1,-0.2 0.614 106.8 55.5-115.4 -27.1 1.3 -39.3 16.0 56 77 A L H X S+ 0 0 6 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.907 103.9 52.4 -73.8 -45.8 3.0 -39.2 12.6 57 78 A L H X S+ 0 0 57 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.894 108.9 47.2 -62.7 -46.5 5.1 -42.3 13.0 58 79 A P H > S+ 0 0 72 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.920 113.4 49.9 -62.3 -41.0 2.3 -44.8 14.0 59 80 A K H X S+ 0 0 99 -4,-1.0 4,-1.5 1,-0.2 -2,-0.2 0.873 112.1 48.0 -61.0 -41.4 0.1 -43.5 11.1 60 81 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.927 109.0 51.3 -67.3 -48.0 3.0 -43.9 8.6 61 82 A I H X S+ 0 0 29 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.884 109.2 52.5 -57.3 -42.1 3.9 -47.5 9.7 62 83 A A H X S+ 0 0 50 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.899 108.8 49.5 -60.7 -43.7 0.3 -48.6 9.4 63 84 A R H X S+ 0 0 30 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.873 107.5 54.4 -64.5 -40.0 0.0 -47.2 5.8 64 85 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.926 109.8 46.6 -60.7 -46.4 3.2 -49.0 4.7 65 86 A N H X S+ 0 0 58 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.835 112.7 49.6 -65.5 -35.8 1.9 -52.4 5.9 66 87 A D H X S+ 0 0 80 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.882 108.1 54.2 -68.4 -40.3 -1.5 -51.8 4.2 67 88 A W H X S+ 0 0 17 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.848 107.0 50.8 -64.0 -36.1 0.3 -50.8 1.0 68 89 A F H X S+ 0 0 14 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.897 109.0 51.2 -67.3 -40.6 2.3 -54.1 1.0 69 90 A E H X S+ 0 0 133 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.841 111.1 49.2 -63.6 -35.8 -1.0 -56.1 1.5 70 91 A E H X S+ 0 0 96 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.926 112.2 46.5 -68.1 -48.5 -2.5 -54.2 -1.5 71 92 A V H < S+ 0 0 10 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.886 111.0 52.1 -62.5 -42.7 0.5 -54.8 -3.8 72 93 A K H < S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.814 108.1 52.1 -64.7 -32.7 0.7 -58.5 -2.9 73 94 A A H < S+ 0 0 90 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.838 98.2 80.5 -73.1 -35.2 -3.0 -59.1 -3.7 74 95 A K S < S- 0 0 160 -4,-1.5 2,-0.2 -5,-0.1 4,-0.0 -0.301 74.4-133.6 -71.6 156.0 -2.8 -57.5 -7.2 75 96 A R + 0 0 239 2,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.517 61.1 35.1-101.9 173.8 -1.4 -59.4 -10.2 76 97 A G S S- 0 0 64 -2,-0.2 2,-0.1 2,-0.0 -2,-0.0 -0.211 106.8 -1.4 77.8-170.4 1.1 -58.3 -12.9 77 98 A K S S- 0 0 201 1,-0.1 3,-0.1 -2,-0.0 -2,-0.1 -0.322 71.0-138.3 -58.6 120.1 4.2 -56.1 -12.4 78 99 A R - 0 0 109 1,-0.1 5,-0.1 -2,-0.1 -1,-0.1 -0.526 39.6 -79.3 -76.6 147.0 4.5 -55.0 -8.8 79 100 A P >> - 0 0 50 0, 0.0 3,-0.8 0, 0.0 4,-0.6 -0.099 37.9-122.2 -48.2 143.6 5.6 -51.3 -8.3 80 101 A T H 3> S+ 0 0 52 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.887 110.9 52.4 -56.2 -43.6 9.3 -50.7 -8.7 81 102 A A H 3> S+ 0 0 1 1,-0.2 4,-1.6 99,-0.2 -1,-0.2 0.730 92.8 79.4 -67.0 -23.5 9.7 -49.2 -5.2 82 103 A F H X4 S+ 0 0 0 -3,-0.8 3,-0.8 1,-0.2 4,-0.4 0.934 93.7 40.4 -51.1 -64.8 8.0 -52.3 -3.6 83 104 A Q H >< S+ 0 0 132 -4,-0.6 3,-0.9 1,-0.3 -1,-0.2 0.839 115.9 51.9 -59.1 -35.4 10.9 -54.9 -3.6 84 105 A F H >< S+ 0 0 44 -4,-0.7 3,-0.6 1,-0.2 -1,-0.3 0.781 108.3 52.7 -71.9 -26.4 13.4 -52.2 -2.6 85 106 A L T << S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.8 -2,-0.2 0.410 98.6 64.2 -88.3 0.4 11.2 -51.2 0.3 86 107 A Q T < S+ 0 0 90 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.390 81.8 80.1-101.2 1.0 10.9 -54.8 1.6 87 108 A E S < S+ 0 0 105 -3,-0.6 2,-0.3 -4,-0.2 -1,-0.2 0.722 95.3 48.1 -77.0 -23.0 14.7 -54.9 2.4 88 109 A I S S- 0 0 17 -3,-0.2 5,-0.1 -4,-0.2 40,-0.1 -0.918 100.2 -93.0-122.1 146.9 14.1 -52.9 5.6 89 110 A K >> - 0 0 143 -2,-0.3 4,-1.8 1,-0.1 3,-1.0 -0.335 38.1-124.2 -53.7 128.8 11.6 -53.4 8.5 90 111 A P H 3> S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.793 109.2 61.1 -48.4 -37.9 8.5 -51.2 7.7 91 112 A E H 3> S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -30,-0.1 0.912 108.6 42.1 -56.4 -45.8 8.9 -49.4 11.1 92 113 A A H <> S+ 0 0 30 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.846 107.6 60.7 -71.0 -36.4 12.4 -48.1 10.1 93 114 A V H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.880 107.6 46.9 -56.2 -40.8 11.2 -47.3 6.5 94 115 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.956 108.9 53.4 -65.2 -53.3 8.7 -44.9 8.1 95 116 A Y H X S+ 0 0 62 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.914 108.9 48.8 -47.0 -57.3 11.3 -43.3 10.5 96 117 A I H X S+ 0 0 16 -4,-2.3 4,-3.5 1,-0.2 5,-0.3 0.875 107.1 55.6 -53.1 -46.6 13.7 -42.5 7.6 97 118 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.922 112.5 41.4 -55.4 -49.7 11.0 -40.9 5.5 98 119 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.940 117.3 49.0 -62.4 -49.0 10.0 -38.4 8.2 99 120 A K H X S+ 0 0 36 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.914 115.2 42.0 -57.7 -50.3 13.6 -37.8 9.2 100 121 A T H X S+ 0 0 20 -4,-3.5 4,-2.2 2,-0.2 -1,-0.2 0.908 112.9 52.8 -67.2 -44.6 14.8 -37.1 5.6 101 122 A T H X S+ 0 0 1 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.879 110.4 48.9 -59.4 -40.6 11.8 -35.0 4.6 102 123 A L H X S+ 0 0 30 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.839 110.6 50.4 -67.5 -35.5 12.3 -32.8 7.7 103 124 A A H X S+ 0 0 60 -4,-1.5 4,-1.1 1,-0.2 5,-0.3 0.850 109.8 51.1 -70.5 -35.9 16.0 -32.4 6.8 104 125 A C H X S+ 0 0 26 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.793 114.7 41.8 -70.9 -31.1 15.2 -31.4 3.2 105 126 A L H < S+ 0 0 24 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.689 110.9 52.4 -94.2 -22.0 12.7 -28.7 4.2 106 127 A T H < S+ 0 0 68 -4,-1.4 -2,-0.1 -5,-0.1 -3,-0.1 0.956 117.1 32.9 -79.0 -54.4 14.4 -27.0 7.1 107 128 A S H < S+ 0 0 104 -4,-1.1 2,-0.4 -5,-0.2 -2,-0.1 0.843 118.6 55.7 -72.3 -37.3 17.8 -26.2 5.6 108 129 A A S < S- 0 0 44 -4,-0.6 2,-0.8 -5,-0.3 -1,-0.0 -0.810 71.5-145.0-103.7 140.8 16.6 -25.6 2.1 109 130 A D S S+ 0 0 156 -2,-0.4 -4,-0.1 1,-0.0 -3,-0.1 -0.682 78.9 21.8-105.3 77.1 13.9 -23.1 1.0 110 131 A N S S- 0 0 90 -2,-0.8 102,-0.1 -6,-0.2 -5,-0.1 0.020 74.6-147.3-147.7 -95.6 12.1 -24.8 -1.9 111 132 A T - 0 0 9 -7,-0.1 102,-2.9 103,-0.1 5,-0.1 0.601 5.5-147.6-131.9 142.0 12.1 -27.8 -2.3 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0.945 114.7 38.7 -72.6 -49.7 46.8 -36.4 -20.1 737 783 A V H X S+ 0 0 1 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.828 113.6 56.6 -69.9 -32.1 49.2 -33.9 -18.6 738 784 A H H X S+ 0 0 24 -4,-2.5 4,-1.2 -5,-0.2 -354,-0.3 0.887 110.4 43.7 -65.7 -39.2 47.3 -34.0 -15.3 739 785 A S H X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.827 113.7 55.3 -69.2 -31.1 47.8 -37.7 -15.0 740 786 A Q H X S+ 0 0 3 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.918 111.3 39.2 -70.5 -45.9 51.4 -36.9 -16.1 741 787 A D H X S+ 0 0 2 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.715 111.2 63.9 -75.9 -18.6 52.1 -34.5 -13.3 742 788 A G H X S+ 0 0 2 -4,-1.2 4,-1.9 -5,-0.3 -2,-0.2 0.907 105.1 42.1 -67.5 -44.4 50.1 -36.8 -11.0 743 789 A S H X S+ 0 0 1 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.888 110.2 57.2 -71.7 -40.3 52.6 -39.6 -11.5 744 790 A H H X S+ 0 0 4 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.855 108.7 48.1 -56.0 -37.7 55.6 -37.3 -11.2 745 791 A L H X S+ 0 0 2 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.928 113.6 45.9 -67.8 -46.7 54.2 -36.3 -7.8 746 792 A R H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.858 112.3 50.3 -65.7 -38.5 53.7 -39.9 -6.7 747 793 A K H X S+ 0 0 43 -4,-3.3 4,-2.3 2,-0.2 -1,-0.2 0.804 107.3 56.4 -68.6 -29.8 57.2 -40.9 -7.9 748 794 A T H X S+ 0 0 1 -4,-1.2 4,-2.6 -5,-0.3 5,-0.2 0.951 105.9 49.2 -65.4 -49.7 58.6 -37.9 -6.0 749 795 A V H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.933 113.5 46.4 -53.5 -52.7 57.1 -39.1 -2.7 750 796 A V H X S+ 0 0 8 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.926 115.4 44.9 -56.7 -51.0 58.5 -42.7 -3.2 751 797 A W H X>S+ 0 0 96 -4,-2.3 4,-1.4 1,-0.2 5,-0.6 0.808 115.8 47.7 -67.1 -31.3 62.0 -41.5 -4.2 752 798 A A H <5S+ 0 0 0 -4,-2.6 6,-1.3 -5,-0.2 4,-0.3 0.824 116.6 43.4 -77.5 -33.1 62.0 -38.9 -1.3 753 799 A H H <5S+ 0 0 72 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.830 121.5 38.0 -79.1 -34.7 60.8 -41.5 1.2 754 800 A E H <5S+ 0 0 104 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.917 124.4 31.8 -88.5 -47.8 63.0 -44.4 0.0 755 801 A K T <5S+ 0 0 128 -4,-1.4 2,-0.2 -5,-0.3 -3,-0.2 0.830 128.9 34.8 -79.7 -32.2 66.4 -42.8 -0.9 756 802 A Y S > - 0 0 5 -2,-0.3 4,-1.4 -11,-0.2 3,-0.7 -0.364 54.4-106.2 -65.3 148.6 60.1 -29.9 7.1 772 818 A P H 3> S+ 0 0 2 0, 0.0 4,-0.7 0, 0.0 -354,-0.2 0.808 117.8 55.9 -46.5 -42.3 63.1 -27.5 6.7 773 819 A A H 34 S+ 0 0 20 -364,-0.4 3,-0.3 -284,-0.3 4,-0.3 0.910 115.3 36.5 -59.9 -45.1 65.7 -30.2 7.4 774 820 A D H <> S+ 0 0 3 -3,-0.7 4,-2.4 1,-0.2 3,-0.4 0.574 93.6 92.4 -84.2 -11.3 64.5 -32.5 4.6 775 821 A A H X S+ 0 0 0 -4,-1.4 4,-3.4 1,-0.2 5,-0.3 0.902 81.9 55.0 -48.5 -50.6 63.7 -29.5 2.3 776 822 A A H X S+ 0 0 13 -4,-0.7 4,-1.1 -3,-0.3 -1,-0.2 0.886 110.7 45.5 -50.7 -46.7 67.2 -29.7 0.7 777 823 A N H > S+ 0 0 53 -3,-0.4 4,-2.8 -4,-0.3 -1,-0.2 0.902 114.3 47.7 -65.6 -43.7 66.6 -33.3 -0.2 778 824 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.3 5,-0.3 0.948 107.8 54.7 -61.9 -50.7 63.0 -32.7 -1.5 779 825 A F H < S+ 0 0 27 -4,-3.4 4,-0.3 1,-0.3 -1,-0.2 0.798 118.7 37.3 -49.2 -33.3 64.2 -29.7 -3.6 780 826 A K H X S+ 0 0 103 -4,-1.1 4,-1.8 -5,-0.3 3,-0.3 0.768 111.9 59.4 -89.3 -33.6 66.7 -32.2 -5.1 781 827 A A H X S+ 0 0 0 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>X S+ 0 0 2 -4,-2.3 4,-1.3 1,-0.2 3,-1.0 0.879 109.3 53.0 -64.2 -39.5 50.4 -43.6 -25.8 800 846 A Y H 3X S+ 0 0 102 -4,-1.7 4,-0.9 1,-0.3 -2,-0.2 0.890 104.1 56.0 -61.4 -41.2 50.7 -44.0 -29.6 801 847 A D H 3< S+ 0 0 108 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.590 106.9 53.9 -65.8 -12.7 51.4 -47.8 -29.0 802 848 A Q H <4 S+ 0 0 78 -3,-1.0 4,-0.2 -4,-0.4 -1,-0.2 0.834 112.3 36.0 -91.1 -38.8 48.1 -47.9 -27.0 803 849 A F H X S+ 0 0 4 -4,-1.3 4,-1.2 1,-0.2 2,-0.2 0.363 102.2 76.6-102.7 4.1 45.6 -46.5 -29.6 804 850 A A T < S+ 0 0 23 -4,-0.9 -1,-0.2 2,-0.3 2,-0.2 -0.730 83.5 51.4-161.8 109.5 46.9 -47.8 -32.9 805 851 A D T 4 S+ 0 0 146 -2,-0.2 2,-0.7 2,-0.2 -2,-0.1 -0.015 110.7 61.6 14.0-119.1 46.4 -50.7 -33.5 806 852 A Q T 4 S+ 0 0 99 -4,-0.2 -2,-0.3 -2,-0.2 -3,-0.1 0.251 80.0 98.9 9.0 -54.4 42.9 -49.4 -32.6 807 853 A L < - 0 0 25 -4,-1.2 -2,-0.2 -2,-0.7 -147,-0.1 -0.109 66.2-144.3 -47.4 148.7 42.7 -46.8 -35.5 808 854 A H - 0 0 58 -149,-0.1 2,-0.2 1,-0.1 -1,-0.1 0.965 32.5 -86.2 -83.9 -82.0 40.7 -48.0 -38.5 809 855 A E S S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.699 109.6 41.1 161.4 140.2 41.8 -47.0 -42.0 810 856 A S S S+ 0 0 80 -2,-0.2 -2,-0.0 1,-0.0 0, 0.0 0.706 110.6 73.1 67.0 20.5 40.9 -43.8 -43.9 811 857 A Q S > S+ 0 0 19 4,-0.0 3,-1.0 2,-0.0 4,-0.3 0.491 80.4 63.4-130.8 -35.5 41.5 -42.4 -40.4 812 858 A L T 3 S+ 0 0 109 1,-0.2 -5,-0.0 2,-0.2 -153,-0.0 0.553 95.6 61.1 -73.2 -11.5 45.3 -42.7 -40.3 813 859 A D T 3 S+ 0 0 122 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.596 105.7 47.8 -87.2 -13.8 45.5 -40.2 -43.2 814 860 A K S < S+ 0 0 141 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.465 98.2 92.9 -97.8 -7.3 43.8 -37.7 -40.9 815 861 A M - 0 0 26 -4,-0.3 2,-0.1 -156,-0.0 -163,-0.1 -0.810 63.9-160.1 -98.2 118.1 46.2 -38.6 -38.0 816 862 A P - 0 0 56 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.156 9.9 -23.7 -85.9-170.4 49.5 -36.7 -37.5 817 863 A A - 0 0 59 -2,-0.1 -2,-0.0 0, 0.0 3,-0.0 -0.435 31.7-129.1-129.8 -69.2 52.3 -36.1 -36.5 818 864 A L - 0 0 71 -2,-0.1 -169,-0.1 -170,-0.1 -170,-0.0 0.588 39.5-115.6-112.1 138.1 54.3 -36.8 -34.4 819 865 A P - 0 0 4 0, 0.0 -23,-0.0 0, 0.0 -174,-0.0 0.108 37.1-117.3 -33.7 121.3 55.7 -33.7 -32.6 820 866 A A - 0 0 85 1,-0.1 2,-0.2 -3,-0.0 -2,-0.0 -0.312 27.8-109.5 -64.6 143.9 59.5 -33.4 -33.4 821 867 A K - 0 0 79 1,-0.1 -311,-0.2 -310,-0.0 -1,-0.1 -0.536 33.8-142.9 -77.8 140.2 61.9 -33.7 -30.4 822 868 A G - 0 0 25 -313,-2.6 -311,-0.2 -2,-0.2 -1,-0.1 -0.003 24.4 -98.0 -89.5-163.9 63.7 -30.5 -29.4 823 869 A N + 0 0 132 2,-0.1 2,-0.3 -2,-0.0 -312,-0.2 0.071 69.7 132.5-110.1 23.0 67.2 -29.8 -28.1 824 870 A L - 0 0 12 -314,-2.4 2,-0.7 -318,-0.1 -312,-0.1 -0.584 50.2-141.8 -77.2 133.3 66.6 -29.6 -24.4 825 871 A N > - 0 0 87 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.889 6.4-153.2 -95.7 112.5 68.9 -31.6 -22.2 826 872 A L G > S+ 0 0 5 -2,-0.7 3,-1.3 1,-0.3 4,-0.4 0.754 89.6 66.7 -58.0 -29.5 66.8 -33.1 -19.4 827 873 A R G >> S+ 0 0 138 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.758 83.4 74.9 -64.3 -25.5 69.8 -33.2 -17.0 828 874 A D G X4 S+ 0 0 50 -3,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.722 80.8 71.6 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