==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-FEB-00 1EH6 . COMPND 2 MOLECULE: O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.S.DANIELS,J.A.TAINER . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 9.5 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 10 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 2 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 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 5 A C 0 0 103 0, 0.0 2,-0.7 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 66.7 -0.9 17.8 16.9 2 6 A E - 0 0 127 1,-0.1 2,-0.5 0, 0.0 19,-0.2 -0.556 360.0-139.1 -69.8 109.8 2.6 16.6 17.8 3 7 A M - 0 0 65 -2,-0.7 2,-0.3 17,-0.1 17,-0.2 -0.593 23.5-178.0 -79.7 121.1 4.4 19.7 19.1 4 8 A K E -A 19 0A 86 15,-2.9 15,-2.1 -2,-0.5 2,-0.3 -0.861 5.4-162.5-115.1 151.3 8.0 20.1 18.0 5 9 A R E +A 18 0A 144 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.959 13.7 171.3-136.1 153.5 10.4 22.9 19.1 6 10 A T E -A 17 0A 7 11,-2.0 11,-3.1 -2,-0.3 2,-0.4 -0.963 22.8-133.3-151.9 156.2 13.7 24.4 18.0 7 11 A T E -A 16 0A 40 -2,-0.3 32,-3.0 9,-0.2 2,-0.4 -0.945 13.3-166.1-121.7 143.6 15.6 27.5 19.1 8 12 A L E -AB 15 38A 6 7,-2.9 7,-2.7 -2,-0.4 2,-0.2 -0.992 16.4-136.2-131.1 124.8 17.2 30.2 16.9 9 13 A D + 0 0 78 28,-0.6 27,-0.5 -2,-0.4 5,-0.2 -0.510 36.5 161.2 -75.0 148.2 19.7 32.9 18.1 10 14 A S > - 0 0 19 3,-0.2 3,-2.9 -2,-0.2 45,-0.0 -0.965 57.4 -87.0-159.7 169.7 19.0 36.4 16.8 11 15 A P T 3 S+ 0 0 35 0, 0.0 3,-0.1 0, 0.0 158,-0.1 0.771 128.2 53.6 -55.8 -24.0 19.8 40.1 17.4 12 16 A L T 3 S- 0 0 11 1,-0.4 19,-0.3 157,-0.1 2,-0.2 0.341 122.4-104.5 -91.6 5.6 16.8 40.0 19.8 13 17 A G S < S- 0 0 18 -3,-2.9 -1,-0.4 156,-0.1 -3,-0.2 -0.548 71.3 -9.9 99.9-171.7 18.1 37.1 21.7 14 18 A K - 0 0 92 -5,-0.2 16,-3.0 -2,-0.2 17,-0.6 -0.392 59.2-158.0 -68.0 135.6 17.0 33.5 21.6 15 19 A L E -AC 8 29A 0 -7,-2.7 -7,-2.9 14,-0.2 2,-0.6 -0.956 3.7-152.6-115.2 125.2 13.8 32.7 19.7 16 20 A E E -AC 7 28A 45 12,-3.0 12,-2.8 -2,-0.5 2,-0.4 -0.879 11.9-163.8 -99.7 120.9 11.9 29.5 20.5 17 21 A L E +AC 6 27A 0 -11,-3.1 -11,-2.0 -2,-0.6 2,-0.4 -0.882 9.7 179.9-105.4 133.2 9.9 28.2 17.5 18 22 A S E +AC 5 26A 5 8,-2.5 7,-2.8 -2,-0.4 8,-2.2 -0.991 17.0 118.0-135.0 142.9 7.1 25.7 18.1 19 23 A G E -AC 4 24A 0 -15,-2.1 -15,-2.9 -2,-0.4 5,-0.2 -0.984 37.1-128.5-178.0-176.9 4.7 24.0 15.7 20 24 A C E > - C 0 23A 2 3,-2.5 3,-0.9 -2,-0.3 27,-0.1 -0.716 49.7 -74.2-138.5-171.9 3.4 20.8 14.1 21 25 A E T 3 S+ 0 0 137 1,-0.2 3,-0.1 -19,-0.2 24,-0.1 0.864 127.5 54.6 -57.7 -39.0 2.7 19.3 10.7 22 26 A Q T 3 S- 0 0 125 1,-0.2 2,-0.3 51,-0.1 -1,-0.2 0.698 123.0 -58.7 -70.9 -22.5 -0.4 21.5 10.4 23 27 A G E < -C 20 0A 0 -3,-0.9 -3,-2.5 50,-0.1 49,-0.3 -0.903 63.0 -54.0 160.3 171.8 1.4 24.8 11.0 24 28 A L E -Cd 19 72A 0 47,-3.1 49,-2.6 -2,-0.3 50,-0.7 -0.549 38.6-175.2 -74.3 136.0 3.6 27.0 13.2 25 29 A H E - 0 0 18 -7,-2.8 2,-0.3 1,-0.3 -6,-0.2 0.843 56.5 -5.6 -99.5 -46.2 2.2 27.6 16.7 26 30 A E E -C 18 0A 65 -8,-2.2 -8,-2.5 101,-0.1 2,-0.5 -1.000 36.6-155.1-158.5 151.7 4.4 30.1 18.3 27 31 A I E -C 17 0A 2 99,-2.6 2,-0.5 -2,-0.3 -10,-0.2 -0.994 29.0-167.0-124.4 115.8 7.6 32.3 18.2 28 32 A K E -C 16 0A 101 -12,-2.8 -12,-3.0 -2,-0.5 2,-0.8 -0.930 17.3-142.5-115.0 125.9 8.7 33.1 21.7 29 33 A L E -C 15 0A 46 -2,-0.5 -14,-0.2 -14,-0.2 -15,-0.1 -0.767 16.7-176.7 -85.4 111.2 11.3 35.7 22.5 30 34 A L 0 0 89 -16,-3.0 -1,-0.2 -2,-0.8 -15,-0.1 0.630 360.0 360.0 -83.0 -14.1 13.3 34.2 25.4 31 35 A G 0 0 85 -17,-0.6 -16,-0.1 -19,-0.3 -2,-0.1 0.199 360.0 360.0 101.6 360.0 15.5 37.4 25.8 32 ! 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 33 45 A E 0 0 217 0, 0.0 -23,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.8 25.4 40.6 14.0 34 46 A V - 0 0 127 -24,-0.0 25,-0.0 0, 0.0 0, 0.0 -0.921 360.0-124.6-112.3 116.3 26.2 37.0 13.2 35 47 A P - 0 0 73 0, 0.0 -25,-0.1 0, 0.0 20,-0.0 -0.277 31.4-161.4 -57.0 132.5 23.5 34.8 11.5 36 48 A A - 0 0 26 -27,-0.5 2,-0.2 19,-0.0 3,-0.0 -0.820 11.5-124.3-119.4 157.8 22.8 31.6 13.5 37 49 A P - 0 0 99 0, 0.0 -28,-0.6 0, 0.0 2,-0.2 -0.548 37.7 -91.9 -95.0 163.9 21.1 28.3 12.6 38 50 A A B -B 8 0A 7 -2,-0.2 -30,-0.2 -30,-0.2 3,-0.1 -0.548 35.8-126.2 -71.4 139.9 18.2 26.6 14.4 39 51 A A S S+ 0 0 75 -32,-3.0 2,-0.5 -2,-0.2 -1,-0.1 0.822 100.2 37.5 -58.2 -35.5 19.5 24.3 17.1 40 52 A V S S- 0 0 95 -33,-0.2 -1,-0.2 2,-0.1 2,-0.1 -0.975 84.1-153.4-122.2 115.7 17.5 21.4 15.8 41 53 A L + 0 0 141 -2,-0.5 2,-0.1 -3,-0.1 7,-0.0 -0.360 47.7 46.2 -84.5 166.5 17.3 21.1 12.0 42 54 A G - 0 0 41 -2,-0.1 -2,-0.1 3,-0.1 5,-0.0 -0.259 69.4 -8.1 96.8 175.4 14.5 19.5 9.9 43 55 A G + 0 0 46 4,-0.1 2,-0.2 -2,-0.1 -22,-0.1 0.292 52.1 113.5 -56.8-174.5 10.8 19.4 9.9 44 56 A P S >> S- 0 0 6 0, 0.0 3,-1.6 0, 0.0 4,-1.2 0.563 71.9-126.1 -62.8 154.0 7.9 19.8 10.5 45 57 A E H 3> S+ 0 0 125 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.794 104.5 60.0 -43.4 -44.2 7.8 22.0 7.4 46 58 A P H 3> S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.872 105.3 50.8 -56.7 -35.6 6.3 25.0 9.1 47 59 A L H <> S+ 0 0 7 -3,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.901 110.3 47.0 -68.7 -42.7 9.3 25.2 11.5 48 60 A M H X S+ 0 0 85 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.876 113.2 50.2 -66.6 -37.8 11.8 25.1 8.7 49 61 A Q H X S+ 0 0 50 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.878 110.4 49.7 -67.4 -37.9 9.9 27.7 6.8 50 62 A C H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.888 109.8 51.1 -68.1 -39.5 9.8 29.9 9.9 51 63 A T H X S+ 0 0 26 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.920 111.7 46.6 -64.2 -44.7 13.5 29.5 10.5 52 64 A A H X S+ 0 0 39 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.885 113.0 50.5 -66.0 -36.7 14.3 30.6 6.9 53 65 A W H X S+ 0 0 17 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.929 112.5 45.4 -66.5 -46.2 11.8 33.5 7.1 54 66 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.910 110.7 53.4 -64.9 -41.6 13.4 34.8 10.4 55 67 A N H X S+ 0 0 59 -4,-2.4 4,-3.0 -5,-0.2 5,-0.4 0.937 113.4 44.0 -58.3 -44.6 16.9 34.4 9.0 56 68 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 3,-0.2 7,-0.2 0.913 109.5 56.1 -66.5 -43.3 15.9 36.5 6.0 57 69 A Y H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.939 120.1 29.8 -54.9 -50.0 14.1 39.1 8.1 58 70 A F H < S+ 0 0 14 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.890 137.1 22.6 -78.5 -39.3 17.2 39.8 10.2 59 71 A H H < S+ 0 0 60 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.564 133.1 26.0-111.1 -11.0 19.9 39.0 7.8 60 72 A Q >< + 0 0 103 -4,-2.6 3,-2.1 -5,-0.4 -1,-0.2 -0.303 67.7 157.6-145.5 54.2 18.6 39.3 4.2 61 73 A P G > + 0 0 39 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.735 66.3 67.5 -53.2 -30.0 15.7 41.8 4.6 62 74 A E G 3 S+ 0 0 194 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.737 107.0 42.8 -66.2 -18.0 15.7 42.9 1.0 63 75 A A G X S+ 0 0 10 -3,-2.1 3,-2.0 -7,-0.2 4,-0.5 0.273 77.8 113.1-109.4 10.2 14.5 39.4 0.1 64 76 A I G X S+ 0 0 13 -3,-1.4 3,-1.3 1,-0.3 -1,-0.1 0.821 71.0 60.6 -54.3 -35.7 12.0 39.0 2.9 65 77 A E G 3 S+ 0 0 151 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.686 94.6 66.3 -66.7 -16.9 9.0 38.9 0.5 66 78 A E G < S+ 0 0 154 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.731 84.2 86.5 -75.4 -23.0 10.5 35.9 -1.2 67 79 A F S < S- 0 0 53 -3,-1.3 -18,-0.0 -4,-0.5 -1,-0.0 -0.687 81.3-123.2 -88.4 122.5 10.0 33.6 1.8 68 80 A P - 0 0 80 0, 0.0 -15,-0.2 0, 0.0 -2,-0.1 -0.313 19.6-125.3 -62.7 138.7 6.7 31.9 2.3 69 81 A V - 0 0 66 1,-0.1 3,-0.1 -16,-0.1 -19,-0.1 -0.716 35.6-118.8 -80.5 129.2 4.9 32.6 5.5 70 82 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.242 30.7 -90.8 -68.6 162.1 4.2 29.2 7.1 71 83 A A - 0 0 59 1,-0.1 -47,-3.1 2,-0.0 2,-0.4 -0.440 45.6-132.6 -66.1 146.0 0.7 27.9 7.7 72 84 A L B +d 24 0A 33 -49,-0.3 -47,-0.2 1,-0.1 -1,-0.1 -0.893 31.4 169.9-108.4 135.0 -0.4 28.9 11.2 73 85 A H + 0 0 22 -49,-2.6 -48,-0.2 -2,-0.4 -50,-0.1 0.233 29.2 128.9-128.7 15.3 -2.0 26.4 13.7 74 86 A H S >> S- 0 0 46 -50,-0.7 3,-2.5 1,-0.1 4,-0.6 -0.473 73.1-110.4 -67.1 145.2 -2.1 28.1 17.0 75 87 A P H >> S+ 0 0 55 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.761 114.6 69.6 -49.5 -28.6 -5.7 27.9 18.4 76 88 A V H 34 S+ 0 0 28 1,-0.3 8,-0.1 2,-0.2 3,-0.1 0.769 102.4 45.4 -64.0 -22.7 -6.3 31.6 17.9 77 89 A F H <4 S+ 0 0 10 -3,-2.5 -1,-0.3 1,-0.2 -5,-0.1 0.557 102.1 66.9 -94.5 -9.5 -6.2 31.0 14.2 78 90 A Q H << S+ 0 0 105 -3,-1.0 2,-0.3 -4,-0.6 -2,-0.2 0.669 101.2 50.7 -83.3 -19.0 -8.5 27.9 14.4 79 91 A Q S < S- 0 0 131 -4,-0.8 2,-0.5 -3,-0.1 5,-0.1 -0.847 88.0-109.5-120.3 156.6 -11.5 29.9 15.5 80 92 A E + 0 0 128 -2,-0.3 2,-0.3 4,-0.1 -3,-0.1 -0.738 56.4 136.1 -86.9 125.2 -13.3 33.1 14.2 81 93 A S > - 0 0 47 -2,-0.5 4,-2.1 -5,-0.1 5,-0.2 -0.964 67.2-101.7-158.5 169.1 -12.8 36.1 16.4 82 94 A F H > S+ 0 0 66 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.901 121.6 54.9 -64.6 -39.2 -12.0 39.8 16.3 83 95 A T H > S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.935 107.8 47.5 -59.0 -48.9 -8.4 38.9 17.4 84 96 A R H > S+ 0 0 33 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.905 112.0 50.1 -61.4 -41.7 -7.9 36.5 14.5 85 97 A Q H X S+ 0 0 68 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.922 112.3 48.0 -62.9 -42.7 -9.3 39.1 12.0 86 98 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.972 113.9 46.2 -60.2 -54.6 -7.0 41.7 13.4 87 99 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.882 115.2 46.2 -57.0 -42.3 -4.0 39.4 13.2 88 100 A W H X S+ 0 0 112 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.859 112.6 50.2 -70.7 -34.2 -4.8 38.2 9.7 89 101 A K H X S+ 0 0 85 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.923 111.4 49.0 -67.5 -44.5 -5.4 41.8 8.5 90 102 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.957 110.8 49.6 -57.8 -54.2 -2.1 42.9 10.0 91 103 A L H < S+ 0 0 50 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.854 116.9 42.5 -54.5 -38.9 -0.2 40.0 8.3 92 104 A K H < S+ 0 0 188 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.906 122.9 30.0 -78.8 -42.2 -1.8 40.8 5.0 93 105 A V H < S+ 0 0 67 -4,-2.9 2,-0.9 -5,-0.1 -3,-0.2 0.924 97.9 73.7 -87.3 -50.9 -1.7 44.6 4.8 94 106 A V < - 0 0 5 -4,-1.4 -1,-0.1 -5,-0.3 3,-0.1 -0.598 65.9-166.7 -79.3 104.0 1.3 46.1 6.7 95 107 A K > - 0 0 119 -2,-0.9 3,-2.2 1,-0.2 2,-0.1 -0.150 37.1 -62.9 -82.4 176.4 4.6 45.4 4.8 96 108 A F T 3 S+ 0 0 60 1,-0.3 -1,-0.2 -35,-0.1 3,-0.1 -0.366 125.4 14.7 -60.0 126.7 8.2 45.7 5.7 97 109 A G T 3 S+ 0 0 27 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.278 105.5 107.9 90.9 -13.1 9.0 49.4 6.5 98 110 A E < - 0 0 72 -3,-2.2 -1,-0.3 2,-0.0 2,-0.3 -0.651 49.3-160.4 -98.4 156.9 5.3 50.4 6.8 99 111 A V - 0 0 65 -2,-0.2 2,-0.3 -3,-0.1 37,-0.2 -0.898 4.1-164.3-131.5 161.1 3.4 51.3 9.9 100 112 A I E -e 136 0B 11 35,-2.6 37,-2.7 -2,-0.3 2,-0.2 -0.983 22.7-119.4-143.3 146.0 -0.3 51.4 10.8 101 113 A S E > -e 137 0B 15 -2,-0.3 4,-2.3 35,-0.2 5,-0.2 -0.498 28.0-112.3 -85.2 159.1 -2.0 53.1 13.8 102 114 A Y H > S+ 0 0 43 35,-1.2 4,-2.0 1,-0.2 5,-0.1 0.909 120.6 50.8 -54.8 -41.2 -4.1 51.1 16.3 103 115 A Q H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 107.4 50.8 -66.0 -41.9 -7.1 53.0 15.0 104 116 A Q H > S+ 0 0 109 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.889 111.5 48.6 -63.8 -38.3 -6.4 52.2 11.3 105 117 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.894 110.7 50.7 -68.8 -37.6 -6.0 48.5 12.1 106 118 A A H <>S+ 0 0 0 -4,-2.0 5,-2.4 -5,-0.2 -2,-0.2 0.917 111.2 48.5 -64.4 -41.7 -9.3 48.6 14.1 107 119 A A H ><5S+ 0 0 46 -4,-2.5 3,-1.9 5,-0.3 -2,-0.2 0.930 109.9 52.2 -62.9 -44.2 -11.0 50.2 11.1 108 120 A L H 3<5S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 106.3 54.6 -59.6 -35.2 -9.4 47.5 8.8 109 121 A A T 3<5S- 0 0 4 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.277 127.6 -97.5 -84.0 11.3 -10.9 44.9 11.2 110 122 A G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.419 101.5 80.5 93.6 -4.2 -14.4 46.3 10.8 111 123 A N > < - 0 0 74 -5,-2.4 3,-2.4 -6,-0.2 -2,-0.1 -0.753 50.7-170.0-142.1 94.9 -14.7 48.5 13.9 112 124 A P T 3 S+ 0 0 91 0, 0.0 3,-0.3 0, 0.0 -5,-0.3 0.650 89.7 55.2 -53.4 -20.1 -13.1 52.0 13.9 113 125 A K T 3 S+ 0 0 196 -7,-0.2 3,-0.4 1,-0.2 4,-0.1 0.389 84.5 84.9 -98.1 3.1 -13.8 52.3 17.6 114 126 A A <> + 0 0 14 -3,-2.4 4,-2.2 1,-0.2 -1,-0.2 -0.030 43.6 125.8 -97.2 34.1 -12.0 49.1 18.7 115 127 A A H > S+ 0 0 26 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.871 76.0 51.6 -57.9 -38.3 -8.4 50.5 18.9 116 128 A R H > S+ 0 0 232 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.899 108.6 50.6 -66.7 -38.3 -8.1 49.3 22.5 117 129 A A H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 108.8 53.2 -65.3 -36.1 -9.2 45.8 21.5 118 130 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.920 106.1 52.6 -64.2 -44.0 -6.6 45.9 18.7 119 131 A G H < S+ 0 0 19 -4,-2.2 4,-0.4 1,-0.2 3,-0.4 0.919 110.1 48.0 -58.0 -44.4 -3.9 46.7 21.3 120 132 A G H >X S+ 0 0 40 -4,-2.1 3,-1.7 1,-0.2 4,-0.9 0.897 106.8 56.8 -63.2 -39.7 -4.9 43.7 23.4 121 133 A A H 3< S+ 0 0 3 -4,-2.2 4,-0.4 1,-0.3 3,-0.3 0.803 93.9 68.3 -61.4 -29.7 -4.9 41.5 20.3 122 134 A M T 3< S+ 0 0 16 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.722 103.8 44.5 -63.2 -20.2 -1.3 42.5 19.7 123 135 A R T <4 S+ 0 0 172 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.669 102.6 62.5 -95.4 -22.3 -0.4 40.6 22.8 124 136 A G S < S+ 0 0 39 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.480 78.9 117.1 -78.5 -0.2 -2.6 37.6 21.9 125 137 A N - 0 0 12 -4,-0.4 -3,-0.0 1,-0.2 6,-0.0 -0.571 44.9-175.3 -73.7 106.5 -0.2 37.3 19.0 126 138 A P S S+ 0 0 9 0, 0.0 -99,-2.6 0, 0.0 -1,-0.2 0.673 77.6 51.8 -75.1 -17.7 1.6 34.0 19.3 127 139 A V S > S- 0 0 0 -101,-0.2 4,-2.4 -3,-0.1 -99,-0.1 -0.519 75.4-176.2-122.7 67.7 3.8 34.7 16.4 128 140 A P B 4 +f 131 0C 12 0, 0.0 2,-2.4 0, 0.0 -5,-0.0 -0.134 69.3 19.2 -58.4 158.7 5.5 38.1 16.8 129 141 A I T 4 S+ 0 0 0 2,-0.7 -2,-0.0 1,-0.2 5,-0.0 -0.388 121.3 61.6 75.7 -57.4 7.8 39.5 14.0 130 142 A L T 4 S+ 0 0 4 -2,-2.4 -1,-0.2 1,-0.3 -61,-0.0 0.937 111.6 38.4 -60.9 -50.3 6.2 37.1 11.5 131 143 A I B < S-f 128 0C 0 -4,-2.4 2,-2.4 -6,-0.0 -2,-0.7 -0.946 106.3-132.2 -99.2 107.6 2.8 38.8 12.1 132 144 A P > + 0 0 3 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.320 49.1 153.5 -64.7 60.9 4.3 42.4 12.4 133 145 A C G > + 0 0 4 -2,-2.4 3,-1.3 1,-0.3 -11,-0.1 0.702 69.3 70.4 -63.4 -18.0 2.6 43.6 15.6 134 146 A H G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -3,-0.2 23,-0.1 0.601 88.7 63.4 -74.7 -9.7 5.7 45.9 16.0 135 147 A R G < S+ 0 0 16 -3,-2.2 -35,-2.6 -41,-0.1 2,-0.8 0.422 79.1 94.5 -92.7 -0.7 4.3 47.9 13.0 136 148 A V E < +e 100 0B 1 -3,-1.3 -35,-0.2 -37,-0.2 2,-0.2 -0.853 59.7 159.5 -94.7 111.0 1.2 48.9 14.9 137 149 A V E -e 101 0B 17 -37,-2.7 -35,-1.2 -2,-0.8 6,-0.2 -0.645 41.4 -72.0-126.3-179.1 2.0 52.3 16.4 138 150 A C > - 0 0 36 4,-2.0 3,-1.8 -37,-0.2 -1,-0.1 -0.494 28.9-133.0 -79.1 144.3 0.4 55.5 17.8 139 151 A S T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 -38,-0.1 0.704 107.3 67.1 -66.4 -17.0 -1.3 58.0 15.6 140 152 A S T 3 S- 0 0 97 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.609 121.1-106.5 -78.1 -13.3 0.7 60.6 17.5 141 153 A G S < S+ 0 0 68 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.228 78.6 134.1 104.3 -12.9 3.9 59.2 16.0 142 154 A A - 0 0 47 1,-0.1 -4,-2.0 -5,-0.1 -1,-0.4 -0.403 64.2-124.4 -69.9 147.1 5.0 57.6 19.2 143 155 A V - 0 0 20 -6,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.894 45.7-155.9 -60.1 -41.8 6.3 54.0 19.0 144 156 A G - 0 0 20 -7,-0.2 -1,-0.1 2,-0.0 9,-0.1 -0.152 27.7 -38.9 88.2 172.7 3.7 52.7 21.5 145 157 A N - 0 0 108 8,-0.0 2,-0.3 -2,-0.0 3,-0.1 -0.174 48.5-165.8 -70.8 164.3 3.8 49.6 23.7 146 158 A Y > - 0 0 12 1,-0.1 3,-2.6 -23,-0.0 6,-0.1 -0.947 26.0-134.4-154.9 128.8 5.1 46.2 22.8 147 159 A S T 3 S+ 0 0 74 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.861 110.4 49.4 -50.5 -40.7 4.6 42.8 24.6 148 160 A G T 3 S- 0 0 35 1,-0.2 -1,-0.3 -3,-0.1 4,-0.3 0.237 128.5 -84.7 -86.3 14.8 8.3 42.1 24.3 149 161 A G <> - 0 0 32 -3,-2.6 4,-1.5 2,-0.1 3,-0.5 0.156 37.6 -89.2 96.7 146.2 9.3 45.5 25.7 150 162 A L H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 120.1 58.9 -56.9 -45.7 9.7 48.9 24.1 151 163 A A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 105.1 50.7 -54.8 -39.5 13.4 48.5 23.2 152 164 A V H > S+ 0 0 16 -3,-0.5 4,-2.7 -4,-0.3 -1,-0.2 0.935 108.7 50.7 -65.9 -45.2 12.6 45.5 21.0 153 165 A K H X S+ 0 0 1 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.923 112.9 46.8 -58.4 -44.0 9.8 47.4 19.1 154 166 A E H X S+ 0 0 57 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.881 109.6 53.3 -65.8 -39.2 12.3 50.2 18.5 155 167 A W H X S+ 0 0 26 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.946 112.0 45.8 -60.6 -47.0 15.0 47.9 17.4 156 168 A L H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.930 114.0 47.4 -62.9 -46.8 12.6 46.3 14.9 157 169 A L H <>S+ 0 0 5 -4,-2.7 5,-2.1 1,-0.2 -1,-0.2 0.901 112.5 49.5 -63.3 -39.1 11.3 49.6 13.6 158 170 A A H ><5S+ 0 0 17 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.901 107.6 55.7 -64.4 -38.3 14.9 50.9 13.3 159 171 A H H 3<5S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.835 104.9 54.2 -61.8 -32.3 15.7 47.7 11.4 160 172 A E T 3<5S- 0 0 10 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.182 129.8 -89.6 -90.8 17.3 12.9 48.6 9.0 161 173 A G T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.341 77.1 141.2 99.0 -8.8 14.2 52.0 8.1 162 174 A H < - 0 0 56 -5,-2.1 2,-2.7 1,-0.1 -1,-0.3 -0.392 64.4-106.1 -71.6 147.5 12.6 54.3 10.7 163 175 A R S S+ 0 0 261 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.313 83.0 110.0 -73.1 60.7 14.6 57.2 12.2 164 176 A L S S- 0 0 66 -2,-2.7 2,-0.3 -10,-0.1 -3,-0.1 -0.930 70.6-113.8-128.9 151.3 15.2 55.5 15.5 165 177 A G - 0 0 61 -2,-0.3 -7,-0.1 1,-0.1 -6,-0.1 -0.664 31.6-108.9 -88.5 145.0 18.5 54.2 16.8 166 178 A K - 0 0 107 -2,-0.3 -11,-0.1 -8,-0.1 3,-0.1 -0.630 42.8-138.7 -72.4 112.9 18.8 50.5 17.4 167 179 A P - 0 0 38 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.080 28.4 -81.4 -66.2 170.9 18.9 50.2 21.2 168 180 A G 0 0 81 -13,-0.0 -17,-0.1 0, 0.0 -13,-0.0 -0.674 360.0 360.0 -80.9 113.6 21.2 47.9 23.2 169 181 A L 0 0 107 -2,-0.7 -156,-0.1 -158,-0.1 -157,-0.1 -0.794 360.0 360.0-131.6 360.0 19.8 44.4 23.3