==== 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 REPLICATION/DNA 09-FEB-09 3G6Y . COMPND 2 MOLECULE: DNA POLYMERASE IOTA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.T.NAIR,A.K.AGGARWAL . 373 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 14.2 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 . 1 0.3 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 . 25 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 1 2 1 2 1 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 1 1 2 1 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 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 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 25 A A 0 0 166 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.3 27.1 29.2 -3.6 2 26 A S + 0 0 114 1,-0.2 2,-0.3 0, 0.0 0, 0.0 0.789 360.0 48.6 -96.8 -78.4 24.1 28.8 -5.9 3 27 A S - 0 0 45 106,-0.0 2,-0.3 1,-0.0 -1,-0.2 -0.486 68.5-163.9 -78.8 129.4 22.0 25.5 -5.4 4 28 A R - 0 0 45 173,-0.5 2,-0.5 -2,-0.3 145,-0.0 -0.737 19.5-150.3-112.7 155.5 21.1 24.5 -1.9 5 29 A V + 0 0 0 -2,-0.3 103,-2.7 143,-0.1 104,-0.5 -0.986 27.9 179.6-119.5 114.1 19.9 21.3 -0.1 6 30 A I E -AB 107 176A 0 170,-3.0 170,-2.2 -2,-0.5 2,-0.4 -0.912 14.8-157.6-116.6 137.2 17.7 22.3 2.8 7 31 A V E -AB 106 175A 0 99,-2.6 99,-2.3 -2,-0.4 2,-0.5 -0.957 1.3-160.4-110.2 139.5 15.9 20.0 5.3 8 32 A H E -AB 105 174A 0 166,-2.3 166,-2.0 -2,-0.4 2,-0.5 -0.986 9.4-161.3-113.0 123.4 12.9 21.0 7.4 9 33 A V E +AB 104 173A 0 95,-3.0 95,-1.8 -2,-0.5 2,-0.4 -0.913 10.4 179.9-106.7 131.9 12.3 18.8 10.5 10 34 A D E -AB 103 172A 36 162,-3.1 162,-3.0 -2,-0.5 93,-0.2 -0.954 20.2-136.9-138.3 110.2 8.9 19.0 12.0 11 35 A L E - B 0 171A 6 91,-2.4 3,-0.5 -2,-0.4 160,-0.3 -0.330 24.3-104.5 -72.9 155.4 8.1 16.9 15.0 12 36 A D S S- 0 0 5 158,-1.7 5,-0.3 1,-0.2 158,-0.2 -0.562 86.0 -30.3 -75.1 132.7 4.8 14.9 15.5 13 37 A C S >> S- 0 0 12 -2,-0.3 4,-2.7 3,-0.1 3,-0.6 0.722 80.2-163.3 26.7 57.4 2.2 16.3 17.9 14 38 A F H 3> S+ 0 0 10 -3,-0.5 4,-2.2 1,-0.2 5,-0.2 0.777 75.7 40.5 -43.3 -59.8 5.1 17.8 19.9 15 39 A Y H 3> S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 118.2 50.3 -60.6 -36.7 3.5 18.6 23.4 16 40 A A H <> S+ 0 0 0 -3,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.926 108.3 52.8 -69.5 -40.0 1.5 15.4 23.3 17 41 A Q H X S+ 0 0 19 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.911 109.0 48.7 -56.7 -49.3 4.7 13.4 22.5 18 42 A V H X S+ 0 0 10 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.913 112.9 47.7 -59.2 -42.9 6.5 14.9 25.4 19 43 A E H X S+ 0 0 19 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.906 109.7 53.4 -68.1 -35.2 3.5 14.1 27.7 20 44 A M H < S+ 0 0 31 -4,-2.6 7,-0.3 1,-0.2 6,-0.2 0.867 108.9 49.1 -66.3 -39.7 3.3 10.5 26.4 21 45 A I H < S+ 0 0 92 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.871 112.8 48.7 -59.7 -42.1 7.0 9.9 27.1 22 46 A S H < S+ 0 0 56 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.913 124.4 28.1 -68.4 -45.0 6.5 11.3 30.7 23 47 A N >< - 0 0 68 -4,-2.6 3,-3.0 -5,-0.1 4,-0.3 -0.792 69.0-171.0-120.0 86.5 3.4 9.2 31.4 24 48 A P G > S+ 0 0 92 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.726 82.6 72.5 -46.9 -29.5 3.7 5.9 29.4 25 49 A E G 3 S+ 0 0 144 1,-0.3 4,-0.1 -3,-0.1 -5,-0.1 0.730 87.3 63.8 -60.5 -24.1 0.1 5.2 30.5 26 50 A L G X S+ 0 0 15 -3,-3.0 3,-0.8 -6,-0.2 -1,-0.3 0.598 80.8 109.6 -73.4 -13.9 -1.1 7.9 28.1 27 51 A K T < S+ 0 0 128 -3,-1.8 2,-0.3 -4,-0.3 -6,-0.0 -0.265 86.1 9.4 -59.9 153.7 0.3 5.9 25.2 28 52 A D T 3 S+ 0 0 123 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.314 109.5 107.9 52.4 -8.3 -2.3 4.3 22.8 29 53 A K S < S- 0 0 90 -3,-0.8 2,-0.3 -2,-0.3 17,-0.2 -0.745 86.3-104.2 -86.1 139.4 -4.9 6.4 24.7 30 54 A P - 0 0 13 0, 0.0 38,-2.3 0, 0.0 2,-0.4 -0.566 49.8-169.3 -63.9 122.3 -6.4 9.5 22.9 31 55 A L E -f 68 0B 0 -2,-0.3 12,-2.1 36,-0.2 2,-0.4 -0.971 19.4-175.1-131.9 134.7 -4.6 12.5 24.4 32 56 A G E -fG 69 42B 0 36,-3.1 38,-2.2 -2,-0.4 2,-0.6 -0.950 19.7-140.5-123.2 144.0 -5.1 16.3 24.3 33 57 A V E -fG 70 41B 0 8,-2.7 7,-2.0 -2,-0.4 8,-0.9 -0.929 26.9-153.0-106.4 122.9 -2.8 18.9 25.8 34 58 A Q E +fG 71 39B 50 36,-3.2 38,-4.3 -2,-0.6 2,-0.4 -0.757 23.0 179.0-104.1 141.9 -4.9 21.7 27.3 35 59 A Q E > S- G 0 38B 48 3,-2.5 3,-2.5 -2,-0.4 2,-0.1 -0.953 71.4 -51.7-135.2 113.2 -4.1 25.3 27.9 36 60 A K T 3 S- 0 0 78 -2,-0.4 36,-0.0 1,-0.3 37,-0.0 -0.350 123.8 -17.7 56.6-125.4 -7.0 27.2 29.4 37 61 A Y T 3 S+ 0 0 141 -3,-0.1 20,-2.8 19,-0.1 2,-0.4 0.373 121.1 91.5 -91.2 3.6 -10.1 26.4 27.2 38 62 A L E < -GH 35 56B 38 -3,-2.5 -3,-2.5 18,-0.3 2,-1.0 -0.815 65.6-147.1-107.2 139.3 -8.0 25.2 24.2 39 63 A V E -GH 34 55B 0 16,-2.6 16,-1.3 -2,-0.4 15,-1.1 -0.865 26.0-172.0 -96.8 97.7 -6.8 21.7 23.3 40 64 A V E - 0 0 26 -7,-2.0 14,-0.8 -2,-1.0 2,-0.3 0.901 60.7 -12.3 -73.8 -38.2 -3.7 23.1 21.8 41 65 A T E -G 33 0B 15 -8,-0.9 -8,-2.7 12,-0.2 2,-0.3 -0.944 61.9-161.8-148.9 171.1 -2.6 19.8 20.3 42 66 A C E -G 32 0B 0 -2,-0.3 -10,-0.2 -10,-0.2 -29,-0.1 -0.981 27.9-100.0-153.1 155.8 -3.4 16.0 20.5 43 67 A N > - 0 0 5 -12,-2.1 4,-1.6 -2,-0.3 3,-0.3 -0.132 44.2 -98.5 -72.7 175.6 -1.8 12.7 19.7 44 68 A Y H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.795 122.0 61.0 -73.2 -24.3 -2.6 10.8 16.5 45 69 A E H > S+ 0 0 68 -16,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.922 106.7 48.0 -61.2 -43.9 -5.1 8.4 18.3 46 70 A A H 4>S+ 0 0 0 -3,-0.3 5,-2.0 -17,-0.2 3,-0.3 0.863 107.0 54.9 -65.3 -37.5 -7.1 11.6 19.2 47 71 A R H ><5S+ 0 0 48 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.844 101.9 58.4 -66.3 -31.5 -7.0 12.8 15.6 48 72 A K H 3<5S+ 0 0 167 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 105.0 53.0 -65.1 -28.1 -8.5 9.5 14.4 49 73 A L T 3<5S- 0 0 58 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.242 129.9 -93.1 -90.9 11.9 -11.4 10.2 16.7 50 74 A G T < 5S+ 0 0 26 -3,-1.4 -3,-0.2 1,-0.3 2,-0.1 0.221 77.2 141.0 100.0 -15.7 -12.1 13.7 15.3 51 75 A V < - 0 0 0 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.3 -0.399 33.9-161.0 -67.6 128.6 -10.0 15.9 17.7 52 76 A K > - 0 0 138 -2,-0.1 3,-1.0 -11,-0.1 -13,-0.1 -0.822 27.0 -92.9-107.8 158.4 -8.3 18.7 15.7 53 77 A K T 3 S+ 0 0 110 -2,-0.3 -12,-0.2 1,-0.3 -13,-0.2 -0.401 111.8 14.9 -61.8 137.5 -5.3 20.9 16.7 54 78 A L T 3 S+ 0 0 115 -15,-1.1 2,-0.4 -14,-0.8 -1,-0.3 0.836 88.8 148.9 58.8 40.4 -6.4 24.1 18.4 55 79 A M E < -H 39 0B 33 -16,-1.3 -16,-2.6 -3,-1.0 -1,-0.2 -0.813 52.2-110.0 -96.5 137.3 -10.0 22.9 19.1 56 80 A N E > -H 38 0B 62 -2,-0.4 4,-1.7 -18,-0.2 -18,-0.3 -0.385 30.0-110.4 -66.8 154.2 -11.7 24.3 22.2 57 81 A V H > S+ 0 0 14 -20,-2.8 4,-2.6 2,-0.2 5,-0.2 0.815 113.7 55.2 -51.2 -40.7 -12.2 21.7 25.0 58 82 A R H >> S+ 0 0 201 -21,-0.3 4,-2.2 1,-0.2 3,-0.5 0.988 110.6 41.4 -59.7 -66.8 -16.0 21.6 24.6 59 83 A D H 3> S+ 0 0 80 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.812 117.1 53.6 -41.8 -37.9 -16.1 20.8 20.9 60 84 A A H 3X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.857 109.1 43.6 -77.8 -40.6 -13.2 18.3 21.6 61 85 A K H << S+ 0 0 99 -4,-2.6 -1,-0.2 -3,-0.5 -2,-0.2 0.744 114.1 51.6 -77.4 -22.7 -14.9 16.4 24.4 62 86 A E H < S+ 0 0 153 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.504 114.2 43.9 -89.7 -4.6 -18.2 16.2 22.4 63 87 A K H < S+ 0 0 138 -4,-0.5 -2,-0.2 -5,-0.3 -3,-0.2 0.669 136.6 16.0 -93.0 -31.3 -16.4 14.9 19.4 64 88 A C >< + 0 0 1 -4,-1.5 3,-1.3 -5,-0.2 -1,-0.2 -0.740 65.8 179.8-147.3 90.6 -14.4 12.6 21.7 65 89 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.765 83.9 56.6 -61.9 -33.4 -15.9 12.1 25.3 66 90 A Q T 3 S+ 0 0 119 2,-0.1 2,-0.4 -5,-0.0 -5,-0.1 0.179 76.1 138.5 -85.4 14.4 -13.1 9.7 26.3 67 91 A L < - 0 0 13 -3,-1.3 2,-0.5 -6,-0.1 -36,-0.2 -0.475 49.7-138.7 -65.3 117.7 -10.3 12.2 25.6 68 92 A V E -f 31 0B 45 -38,-2.3 -36,-3.1 -2,-0.4 2,-0.4 -0.689 22.1-160.5 -70.9 124.4 -7.5 12.2 28.2 69 93 A L E -f 32 0B 44 -2,-0.5 2,-0.4 -38,-0.2 -36,-0.2 -0.908 10.4-174.3-108.3 130.0 -6.5 15.9 28.8 70 94 A V E -f 33 0B 31 -38,-2.2 -36,-3.2 -2,-0.4 2,-0.4 -0.971 33.3-108.3-119.5 148.1 -3.2 17.0 30.4 71 95 A N E +f 34 0B 91 -2,-0.4 -36,-0.2 -38,-0.2 3,-0.2 -0.576 33.2 177.7 -77.2 127.1 -2.4 20.6 31.3 72 96 A G + 0 0 0 -38,-4.3 -37,-0.1 -2,-0.4 -1,-0.1 -0.005 46.3 111.2-117.1 29.5 0.2 22.2 29.0 73 97 A E + 0 0 80 -39,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.812 66.8 67.3 -72.0 -32.9 0.3 25.6 30.4 74 98 A D - 0 0 105 -3,-0.2 3,-0.3 1,-0.1 4,-0.2 -0.831 65.5-170.7 -94.1 114.2 3.9 25.3 31.8 75 99 A L > + 0 0 42 -2,-0.6 4,-3.1 1,-0.2 5,-0.3 0.375 52.1 109.5 -88.6 -1.0 6.2 25.0 28.8 76 100 A T H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 82.4 39.2 -46.2 -56.3 9.3 24.1 30.8 77 101 A R H > S+ 0 0 110 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.845 117.0 50.6 -66.5 -34.1 9.6 20.5 29.7 78 102 A Y H > S+ 0 0 1 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.954 111.5 49.2 -68.2 -42.8 8.6 21.2 26.1 79 103 A R H X S+ 0 0 40 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.901 110.5 50.6 -62.5 -45.3 11.1 24.0 25.9 80 104 A E H X S+ 0 0 115 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.929 112.5 44.7 -58.7 -47.1 13.8 21.7 27.3 81 105 A M H X S+ 0 0 37 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.874 108.3 59.9 -63.9 -36.7 13.2 18.9 24.8 82 106 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.877 107.2 45.1 -59.9 -42.6 13.0 21.5 22.0 83 107 A Y H X S+ 0 0 59 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.870 107.7 58.0 -72.7 -31.8 16.5 22.7 22.6 84 108 A K H X S+ 0 0 116 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.916 108.2 48.0 -57.9 -40.7 17.7 19.0 22.9 85 109 A V H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.968 112.0 48.0 -64.1 -49.1 16.3 18.5 19.3 86 110 A T H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.919 112.2 49.5 -60.1 -43.4 18.0 21.6 18.0 87 111 A E H X S+ 0 0 122 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.875 108.2 51.9 -64.0 -39.7 21.4 20.7 19.6 88 112 A L H >X S+ 0 0 11 -4,-2.0 4,-0.7 -5,-0.2 3,-0.7 0.947 112.1 47.7 -63.5 -40.4 21.3 17.2 18.2 89 113 A L H >X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 3,-1.1 0.891 105.1 59.4 -66.5 -35.0 20.7 18.7 14.7 90 114 A E H 3< S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.771 94.7 64.3 -64.0 -25.3 23.5 21.2 15.2 91 115 A E H << S+ 0 0 153 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.819 102.4 49.0 -71.8 -29.0 25.8 18.3 15.6 92 116 A F H << S- 0 0 54 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.945 138.8 -12.4 -69.6 -55.1 25.1 17.3 12.0 93 117 A S < - 0 0 17 -4,-1.6 -1,-0.3 1,-0.0 14,-0.0 -0.966 67.8-131.6-148.9 139.1 25.7 20.8 10.6 94 118 A P S S+ 0 0 91 0, 0.0 2,-1.4 0, 0.0 -4,-0.1 0.724 83.7 84.2 -71.1 -19.5 26.0 23.9 12.7 95 119 A V + 0 0 56 12,-0.2 12,-1.1 176,-0.1 2,-0.5 -0.630 57.0 157.0 -91.2 95.6 23.6 26.3 10.9 96 120 A V E -C 106 0A 0 -2,-1.4 176,-2.5 10,-0.2 2,-0.5 -0.968 25.3-160.3-124.4 127.1 20.3 25.4 12.4 97 121 A E E -C 105 0A 40 8,-2.4 8,-2.5 -2,-0.5 2,-0.3 -0.924 10.4-147.8-107.6 126.4 17.3 27.7 12.4 98 122 A R E -C 104 0A 31 -2,-0.5 2,-0.4 6,-0.2 6,-0.3 -0.641 10.0-169.4 -84.8 151.6 14.4 27.1 14.8 99 123 A L E >> -C 103 0A 76 4,-2.9 4,-1.1 -2,-0.3 3,-0.5 -0.921 65.8 -36.9-140.6 108.9 10.8 27.9 14.1 100 124 A G T 34 S- 0 0 52 -2,-0.4 -1,-0.3 1,-0.2 3,-0.2 -0.178 100.6 -55.8 65.1-164.0 8.6 27.7 17.1 101 125 A F T 34 S+ 0 0 57 1,-0.2 -1,-0.2 -3,-0.1 3,-0.0 0.566 133.2 35.6 -90.6 -9.8 9.4 24.9 19.5 102 126 A D T <4 S+ 0 0 32 -3,-0.5 -91,-2.4 -17,-0.1 2,-0.4 0.468 97.2 74.9-132.4 17.2 9.2 22.0 17.1 103 127 A E E < +AC 10 99A 27 -4,-1.1 -4,-2.9 -3,-0.2 2,-0.3 -0.918 47.3 175.3-123.9 139.5 10.5 22.9 13.7 104 128 A N E -AC 9 98A 2 -95,-1.8 -95,-3.0 -2,-0.4 2,-0.4 -0.981 16.0-151.9-136.7 149.5 14.2 23.4 12.6 105 129 A F E -AC 8 97A 9 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.4 -0.911 12.0-168.8-114.4 141.8 15.8 24.0 9.2 106 130 A V E -AC 7 96A 0 -99,-2.3 -99,-2.6 -2,-0.4 2,-0.9 -0.998 20.7-136.1-128.5 138.2 19.2 22.9 8.4 107 131 A D E +A 6 0A 40 -12,-1.1 4,-0.3 -2,-0.4 -12,-0.2 -0.785 26.9 174.9 -89.9 108.5 21.3 23.9 5.4 108 132 A L > + 0 0 0 -103,-2.7 4,-3.0 -2,-0.9 5,-0.3 0.334 44.6 108.1 -94.0 6.4 22.8 20.6 4.3 109 133 A T H > S+ 0 0 27 -104,-0.5 4,-2.3 1,-0.2 5,-0.2 0.922 82.1 43.6 -57.8 -45.7 24.5 21.9 1.2 110 134 A E H > S+ 0 0 172 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 114.6 49.9 -65.1 -44.1 28.0 21.7 2.5 111 135 A M H > S+ 0 0 35 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.891 110.1 50.8 -58.0 -45.6 27.5 18.3 4.1 112 136 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.937 110.9 48.8 -58.7 -49.2 26.0 16.9 0.8 113 137 A E H X S+ 0 0 67 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.897 109.9 49.9 -62.3 -42.7 28.9 18.1 -1.2 114 138 A K H X S+ 0 0 143 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.892 110.8 51.1 -64.8 -37.2 31.5 16.6 1.1 115 139 A R H X S+ 0 0 71 -4,-2.2 4,-0.9 -5,-0.2 3,-0.4 0.913 110.1 49.9 -64.0 -39.8 29.6 13.2 1.0 116 140 A L H >< S+ 0 0 23 -4,-2.2 3,-0.7 1,-0.3 -2,-0.2 0.888 105.4 54.7 -67.5 -40.1 29.6 13.3 -2.8 117 141 A Q H 3< S+ 0 0 142 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.748 104.9 58.9 -64.9 -19.9 33.3 14.0 -3.0 118 142 A Q H 3< S+ 0 0 137 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.801 91.4 81.0 -77.5 -30.3 33.7 10.9 -0.9 119 143 A L S << S- 0 0 64 -4,-0.9 2,-0.1 -3,-0.7 5,-0.0 -0.496 79.8-118.4 -78.5 146.8 32.0 8.4 -3.3 120 144 A Q > - 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0 0 1 -6,-1.7 2,-0.3 -9,-0.1 -1,-0.2 -0.808 42.6-153.3-109.0 139.4 11.0 11.5 19.5 170 194 A T + 0 0 33 -2,-0.4 -158,-1.7 -158,-0.2 2,-0.3 -0.799 25.6 157.5-102.2 154.0 9.4 10.9 16.1 171 195 A G E -B 11 0A 2 -2,-0.3 2,-0.3 -160,-0.3 -160,-0.3 -0.964 35.8-111.5-165.4 165.8 9.1 13.6 13.4 172 196 A C E -B 10 0A 3 -162,-3.0 -162,-3.1 -2,-0.3 2,-0.3 -0.728 26.5-162.9-103.0 158.3 8.7 14.3 9.7 173 197 A A E -Be 9 194A 0 20,-1.2 22,-1.8 -2,-0.3 2,-0.4 -0.980 6.0-161.5-136.1 151.2 11.3 15.9 7.4 174 198 A G E -Be 8 195A 0 -166,-2.0 -166,-2.3 -2,-0.3 2,-0.5 -0.999 6.6-157.7-132.0 136.2 11.2 17.5 4.0 175 199 A V E +Be 7 196A 0 20,-2.1 22,-3.0 -2,-0.4 2,-0.3 -0.958 30.1 135.8-116.8 129.0 14.2 17.9 1.7 176 200 A A E -B 6 0A 0 -170,-2.2 -170,-3.0 -2,-0.5 22,-0.1 -0.939 63.6 -90.4-156.2 177.7 14.1 20.6 -1.0 177 201 A S S S+ 0 0 44 -2,-0.3 -173,-0.5 -172,-0.2 2,-0.3 0.550 104.5 17.1 -79.9 -6.7 16.2 23.4 -2.6 178 202 A N S > S- 0 0 11 -172,-0.2 4,-2.2 -175,-0.1 5,-0.2 -0.945 83.4-101.5-153.6 172.4 15.0 26.2 -0.3 179 203 A K H > S+ 0 0 24 88,-0.5 4,-2.2 86,-0.3 5,-0.2 0.866 114.7 56.0 -69.0 -42.6 13.2 26.7 3.0 180 204 A L H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 114.2 40.0 -49.2 -54.7 9.8 27.5 1.6 181 205 A L H > S+ 0 0 6 82,-0.2 4,-2.9 2,-0.2 5,-0.2 0.858 112.9 53.3 -70.5 -39.6 9.7 24.2 -0.3 182 206 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -174,-0.3 0.917 112.8 46.7 -56.9 -43.7 11.3 22.0 2.4 183 207 A K H X S+ 0 0 54 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.911 114.3 45.9 -69.2 -41.2 8.7 23.3 4.8 184 208 A L H >< S+ 0 0 27 -4,-2.2 3,-0.5 -5,-0.2 -2,-0.2 0.904 115.9 46.2 -65.1 -39.5 5.8 22.7 2.4 185 209 A V H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 4,-0.4 0.824 97.9 70.7 -80.5 -23.3 7.1 19.2 1.4 186 210 A S H 3< S+ 0 0 2 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.761 98.1 50.9 -59.4 -29.0 7.7 18.0 5.0 187 211 A G T << S+ 0 0 36 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.454 81.8 93.4 -89.0 -2.5 4.0 17.8 5.8 188 212 A V S < S+ 0 0 59 -3,-1.7 2,-0.5 1,-0.2 -1,-0.2 0.923 95.7 29.7 -62.3 -41.5 3.0 15.7 2.6 189 213 A F S S- 0 0 78 -4,-0.4 4,-0.4 -3,-0.3 -1,-0.2 -0.960 92.4-150.7-121.9 115.0 3.3 12.4 4.5 190 214 A K + 0 0 90 -2,-0.5 2,-0.1 -3,-0.1 -3,-0.0 -0.971 52.1 36.9-138.9 155.5 2.6 12.4 8.2 191 215 A P S S- 0 0 53 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.545 124.0 -18.5 -79.3 167.4 3.1 11.2 10.9 192 216 A N S S+ 0 0 73 1,-0.2 2,-0.3 -2,-0.1 -20,-0.2 0.845 104.0 108.9 47.6 57.3 6.7 10.2 11.3 193 217 A Q - 0 0 60 -4,-0.4 -20,-1.2 -7,-0.2 2,-0.3 -0.896 52.7-136.5-148.5 173.7 7.7 10.1 7.5 194 218 A Q E - e 0 173A 4 -2,-0.3 -62,-2.4 -22,-0.2 2,-0.3 -0.974 11.0-168.2-141.5 151.6 9.9 12.1 5.1 195 219 A T E -de 132 174A 1 -22,-1.8 -20,-2.1 -2,-0.3 2,-0.4 -0.991 9.4-148.9-139.2 144.1 9.5 13.4 1.6 196 220 A V E -de 133 175A 0 -64,-2.2 -62,-2.9 -2,-0.3 2,-0.7 -0.931 11.6-141.3-115.6 143.8 12.0 14.9 -0.9 197 221 A L - 0 0 6 -22,-3.0 -20,-0.2 -2,-0.4 -62,-0.1 -0.874 8.7-156.3-104.8 111.4 11.1 17.4 -3.5 198 222 A L > - 0 0 0 -2,-0.7 3,-2.3 -64,-0.2 4,-0.2 -0.637 31.3-113.9 -78.5 149.3 12.7 17.1 -7.0 199 223 A P G > S+ 0 0 53 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.839 111.4 63.9 -57.2 -32.8 12.8 20.5 -8.9 200 224 A E G 3 S+ 0 0 113 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.677 101.8 50.9 -67.7 -17.0 10.4 19.2 -11.7 201 225 A S G <> S+ 0 0 6 -3,-2.3 4,-2.7 1,-0.1 -1,-0.3 0.297 79.0 101.4-103.4 5.4 7.5 18.8 -9.1 202 226 A C H <> S+ 0 0 18 -3,-1.9 4,-2.5 -4,-0.2 5,-0.2 0.949 82.8 46.2 -58.1 -49.7 7.8 22.3 -7.6 203 227 A Q H > S+ 0 0 80 -4,-0.4 4,-2.9 2,-0.2 5,-0.2 0.927 111.1 54.8 -56.9 -40.3 4.9 23.8 -9.5 204 228 A H H > S+ 0 0 94 -4,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.950 111.0 45.1 -58.7 -47.0 2.8 20.7 -8.6 205 229 A L H X S+ 0 0 5 -4,-2.7 4,-0.5 2,-0.2 3,-0.4 0.954 114.5 47.0 -63.2 -46.0 3.5 21.2 -4.9 206 230 A I H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.916 114.4 47.0 -63.6 -39.9 2.8 25.0 -5.0 207 231 A H H 3< S+ 0 0 52 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.670 95.6 75.0 -80.6 -14.4 -0.4 24.5 -6.9 208 232 A S H 3< S+ 0 0 53 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.722 78.0 96.2 -65.8 -21.6 -1.5 21.7 -4.5 209 233 A L << - 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