==== 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, HYDROLASE 31-OCT-98 2UUG . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR C.D.PUTNAM,A.S.ARVAI,C.D.MOL,J.A.TAINER . 609 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 56 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 6 4 1 0 2 2 1 2 0 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 3 3 0 0 2 3 0 2 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 2 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 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 L 0 0 128 0, 0.0 49,-0.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 88.9 35.2 34.3 72.4 2 6 A T > - 0 0 45 47,-0.2 4,-2.0 46,-0.1 5,-0.2 -0.704 360.0-112.3-114.0 170.2 32.2 32.0 72.5 3 7 A W H > S+ 0 0 7 -2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.893 117.4 55.0 -68.0 -41.3 28.4 32.7 72.6 4 8 A H H 4 S+ 0 0 148 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.776 110.6 49.6 -62.9 -25.3 28.1 31.3 76.1 5 9 A D H 4 S+ 0 0 114 -3,-0.1 4,-0.3 2,-0.1 -2,-0.2 0.910 121.2 28.7 -80.1 -48.1 30.8 33.8 77.2 6 10 A V H < S+ 0 0 25 -4,-2.0 4,-0.3 1,-0.2 3,-0.2 0.798 125.8 45.1 -85.0 -29.8 29.4 37.0 75.6 7 11 A L S X S+ 0 0 1 -4,-3.1 4,-1.8 -5,-0.2 3,-0.3 0.511 86.7 92.8 -90.8 -6.3 25.7 36.1 75.8 8 12 A A H > S+ 0 0 46 -4,-0.3 4,-0.6 -5,-0.3 3,-0.3 0.918 88.2 45.5 -52.5 -49.9 25.8 34.7 79.4 9 13 A E H 4 S+ 0 0 135 -4,-0.3 4,-0.4 -3,-0.2 3,-0.4 0.795 111.6 53.5 -65.6 -30.0 24.8 38.1 80.9 10 14 A E H >4 S+ 0 0 12 -3,-0.3 3,-0.7 -4,-0.3 -1,-0.2 0.788 96.9 64.5 -75.2 -29.6 22.0 38.5 78.3 11 15 A K H 3< S+ 0 0 72 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.723 100.0 55.8 -64.3 -23.7 20.5 35.1 79.1 12 16 A Q T 3< S+ 0 0 150 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.703 79.9 116.8 -80.3 -27.5 19.8 36.6 82.6 13 17 A Q X> - 0 0 74 -3,-0.7 4,-1.9 -4,-0.4 3,-0.7 -0.156 69.5-130.0 -48.4 134.0 17.8 39.6 81.4 14 18 A P H 3> S+ 0 0 100 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.848 107.3 53.6 -53.6 -41.8 14.1 39.7 82.4 15 19 A Y H 3> S+ 0 0 48 1,-0.2 4,-1.6 2,-0.2 125,-0.1 0.785 108.2 51.1 -65.1 -34.4 12.9 40.3 78.9 16 20 A F H <> S+ 0 0 6 -3,-0.7 4,-2.3 -6,-0.2 5,-0.2 0.904 111.0 45.2 -70.0 -46.1 14.8 37.2 77.6 17 21 A L H X S+ 0 0 92 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.880 110.9 57.0 -64.0 -37.6 13.4 34.9 80.3 18 22 A N H X S+ 0 0 95 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.914 108.2 46.9 -58.7 -45.7 9.9 36.4 79.5 19 23 A T H >X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 3,-0.5 0.981 113.6 44.4 -64.6 -56.8 10.3 35.5 75.8 20 24 A L H 3X S+ 0 0 47 -4,-2.3 4,-2.9 1,-0.3 -1,-0.2 0.860 114.7 51.7 -55.0 -37.6 11.4 31.8 76.3 21 25 A Q H 3X S+ 0 0 140 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.3 0.832 109.4 48.6 -69.0 -35.7 8.8 31.4 79.0 22 26 A T H S+ 0 0 31 -4,-2.1 5,-2.6 2,-0.2 -2,-0.2 0.874 110.0 50.7 -67.5 -39.2 2.4 28.3 74.3 27 31 A R H ><5S+ 0 0 56 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.941 111.3 49.4 -63.3 -44.2 4.1 25.0 73.3 28 32 A Q H 3<5S+ 0 0 167 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.803 105.3 58.3 -63.9 -31.9 2.8 23.5 76.6 29 33 A S T 3<5S- 0 0 90 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.304 127.3 -94.8 -82.7 8.6 -0.7 24.8 75.9 30 34 A G T < 5S+ 0 0 66 -3,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.653 79.4 139.7 89.3 15.4 -0.9 22.9 72.6 31 35 A V < - 0 0 51 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.844 50.0-135.7 -95.5 107.0 0.2 25.7 70.3 32 36 A T - 0 0 83 -2,-0.8 94,-3.0 -3,-0.1 2,-0.4 -0.483 27.7-173.7 -65.8 125.6 2.5 24.2 67.7 33 37 A I E -A 125 0A 5 -2,-0.3 92,-0.2 92,-0.3 4,-0.1 -0.963 19.1 -98.3-126.7 139.8 5.6 26.4 67.2 34 38 A Y E S+A 124 0A 45 90,-2.3 90,-1.0 -2,-0.4 35,-0.1 -0.887 90.1 25.4-114.6 143.7 8.5 26.2 64.7 35 39 A P S S- 0 0 1 0, 0.0 89,-0.1 0, 0.0 34,-0.1 0.640 97.8 -99.6 -82.7-178.7 11.1 25.2 64.7 36 40 A P >> - 0 0 48 0, 0.0 3,-2.6 0, 0.0 4,-0.6 -0.300 39.7-105.8 -57.2 151.3 11.1 22.5 67.4 37 41 A Q G >4 S+ 0 0 77 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.835 120.5 63.2 -50.3 -32.6 12.6 23.8 70.7 38 42 A K G 34 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.702 106.9 43.2 -65.1 -20.4 15.7 21.8 70.0 39 43 A D G X4 S+ 0 0 7 -3,-2.6 3,-1.5 1,-0.1 4,-0.3 0.430 81.2 98.8-106.6 -1.0 16.4 23.8 66.8 40 44 A V T << S+ 0 0 2 -3,-1.0 3,-0.3 -4,-0.6 -1,-0.1 0.850 93.5 34.4 -58.4 -34.2 15.7 27.4 68.0 41 45 A F T >> S+ 0 0 60 -4,-0.4 4,-1.4 1,-0.2 3,-0.8 0.098 79.3 118.1-109.8 24.7 19.4 28.2 68.6 42 46 A N H <> + 0 0 9 -3,-1.5 4,-3.0 1,-0.2 5,-0.3 0.840 66.4 65.9 -58.6 -35.8 21.0 26.2 65.8 43 47 A A H 3> S+ 0 0 2 27,-0.9 4,-1.5 -4,-0.3 -1,-0.2 0.885 108.3 39.6 -54.9 -40.4 22.4 29.3 64.1 44 48 A F H <4 S+ 0 0 14 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.767 113.2 57.1 -77.9 -30.6 24.7 29.8 67.1 45 49 A R H < S+ 0 0 167 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.982 113.4 37.9 -62.4 -57.0 25.4 26.1 67.4 46 50 A F H < S+ 0 0 31 -4,-3.0 2,-0.5 1,-0.2 -2,-0.2 0.792 122.7 43.1 -65.9 -35.2 26.7 25.8 63.8 47 51 A T S < S- 0 0 0 -4,-1.5 -1,-0.2 -5,-0.3 65,-0.1 -0.915 74.5-159.8-121.8 105.8 28.5 29.1 63.8 48 52 A E > - 0 0 57 -2,-0.5 4,-0.6 -3,-0.1 3,-0.5 -0.276 34.0-102.1 -74.1 166.9 30.6 30.1 66.9 49 53 A L T >4 S+ 0 0 0 1,-0.2 3,-0.9 2,-0.2 -47,-0.2 0.886 119.6 47.0 -60.7 -46.7 31.6 33.8 67.5 50 54 A G T 34 S+ 0 0 45 -49,-0.8 -1,-0.2 1,-0.2 -48,-0.1 0.730 110.8 56.7 -69.2 -18.4 35.2 33.7 66.4 51 55 A D T 34 S+ 0 0 100 -3,-0.5 2,-0.3 2,-0.0 -1,-0.2 0.567 74.9 116.6 -88.4 -11.5 34.0 31.8 63.2 52 56 A V << + 0 0 0 -3,-0.9 63,-0.2 -4,-0.6 3,-0.1 -0.438 21.6 149.4 -63.9 118.7 31.5 34.4 62.0 53 57 A K + 0 0 28 61,-3.3 103,-2.3 1,-0.4 2,-0.4 0.654 67.3 28.3-115.9 -40.8 32.7 35.7 58.7 54 58 A V E -cd 115 156B 0 60,-2.4 62,-2.9 101,-0.2 2,-0.5 -0.963 63.8-158.9-126.9 139.4 29.4 36.6 57.0 55 59 A V E -cd 116 157B 0 101,-2.1 103,-3.3 -2,-0.4 2,-0.5 -0.976 9.4-177.7-121.8 115.2 26.1 37.5 58.6 56 60 A I E -cd 117 158B 0 60,-2.1 62,-1.3 -2,-0.5 2,-0.3 -0.968 15.8-148.6-114.6 116.6 22.9 37.1 56.6 57 61 A L E +c 118 0B 2 101,-1.1 103,-0.4 -2,-0.5 62,-0.2 -0.681 17.1 177.7 -90.8 136.4 19.7 38.2 58.3 58 62 A G E -c 119 0B 7 60,-2.5 62,-1.2 -2,-0.3 14,-0.1 -0.487 26.5-127.3-115.9-172.3 16.3 36.7 57.8 59 63 A Q - 0 0 18 1,-0.4 62,-2.4 60,-0.2 61,-0.3 0.750 68.2 -22.6-105.8 -83.0 13.0 37.6 59.5 60 64 A D S S- 0 0 21 406,-0.2 -1,-0.4 60,-0.2 62,-0.2 -0.903 74.8 -85.2-130.0 161.0 11.2 34.8 61.2 61 65 A P - 0 0 7 0, 0.0 69,-0.3 0, 0.0 -27,-0.1 -0.198 55.8 -86.6 -63.0 155.6 11.2 31.0 60.7 62 66 A Y - 0 0 23 1,-0.1 6,-0.3 67,-0.1 403,-0.1 -0.347 31.4-145.6 -59.1 142.6 9.0 29.3 58.1 63 67 A H + 0 0 22 401,-0.1 64,-2.2 -3,-0.1 -1,-0.1 0.364 66.2 96.1 -96.4 5.9 5.5 28.6 59.4 64 68 A G S >> S- 0 0 12 400,-0.2 3,-1.7 62,-0.2 4,-0.5 -0.672 87.1 -84.4 -98.3 152.5 4.9 25.4 57.5 65 69 A P T 34 S- 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.297 107.6 -1.7 -57.4 121.7 5.5 21.8 58.8 66 70 A G T 34 S+ 0 0 37 2,-0.1 10,-0.5 -2,-0.1 13,-0.1 0.437 103.8 103.3 79.9 3.3 9.0 20.5 58.4 67 71 A Q T <4 + 0 0 15 -3,-1.7 9,-1.5 8,-0.1 12,-0.1 0.982 65.8 57.8 -79.1 -67.9 10.5 23.7 56.8 68 72 A A < + 0 0 6 -4,-0.5 7,-0.1 -6,-0.3 -2,-0.1 -0.297 44.7 165.9 -68.3 150.1 12.4 25.6 59.5 69 73 A H S S- 0 0 3 2,-0.4 -1,-0.1 5,-0.4 3,-0.1 0.011 70.6 -73.7-153.1 31.0 15.3 24.1 61.4 70 74 A G S S+ 0 0 14 1,-0.2 -27,-0.9 4,-0.1 2,-0.4 0.289 102.0 99.7 96.5 -15.3 17.1 27.0 63.1 71 75 A L S S- 0 0 3 3,-0.2 -2,-0.4 -29,-0.1 -1,-0.2 -0.872 75.7-110.9-107.4 145.0 18.9 28.6 60.2 72 76 A A S S- 0 0 0 45,-1.5 2,-1.8 -2,-0.4 35,-0.1 -0.426 96.9 -2.5 -70.7 144.1 17.7 31.6 58.2 73 77 A F S S+ 0 0 20 1,-0.1 -1,-0.2 -2,-0.1 12,-0.2 0.019 106.6 115.8 66.7 -31.8 16.5 30.9 54.7 74 78 A S - 0 0 0 -2,-1.8 -5,-0.4 33,-0.1 2,-0.3 -0.430 45.0-168.1 -74.4 141.2 17.4 27.3 55.0 75 79 A V - 0 0 0 30,-1.3 -7,-0.2 -2,-0.1 30,-0.2 -0.889 30.2 -99.0-122.2 153.4 14.8 24.5 54.8 76 80 A R > - 0 0 66 -9,-1.5 3,-1.3 -10,-0.5 29,-0.4 -0.082 53.9 -75.8 -66.5 169.4 15.4 20.8 55.7 77 81 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.493 119.6 31.2 -68.1 138.7 16.1 18.1 53.1 78 82 A G T 3 S+ 0 0 83 1,-0.4 2,-0.4 -2,-0.2 -2,-0.1 0.352 92.8 117.0 96.2 -7.8 13.0 17.1 51.1 79 83 A I S < S- 0 0 43 -3,-1.3 -1,-0.4 -12,-0.1 26,-0.3 -0.763 73.8-107.2 -94.5 139.5 11.4 20.5 51.4 80 84 A A - 0 0 62 -2,-0.4 24,-0.1 1,-0.1 -1,-0.1 -0.397 41.6-100.0 -64.1 141.2 10.8 22.5 48.3 81 85 A I - 0 0 31 22,-0.1 -1,-0.1 -2,-0.1 -7,-0.1 -0.480 42.1-123.1 -64.9 122.7 13.1 25.4 47.8 82 86 A P > - 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.377 24.4-107.0 -65.3 154.2 11.2 28.5 49.0 83 87 A P H > S+ 0 0 3 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.891 116.8 49.8 -49.1 -49.1 10.9 31.4 46.4 84 88 A S H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.929 110.3 48.0 -58.9 -50.4 13.5 33.7 48.1 85 89 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 108.6 57.6 -58.4 -36.6 16.2 31.0 48.5 86 90 A L H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.922 106.4 47.2 -59.2 -44.0 15.5 30.2 44.8 87 91 A N H X S+ 0 0 4 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.771 107.8 56.4 -68.9 -27.1 16.3 33.9 43.9 88 92 A M H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.860 109.5 47.5 -69.3 -35.1 19.4 33.7 46.1 89 93 A Y H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.934 106.8 54.9 -69.2 -48.7 20.4 30.7 43.9 90 94 A K H X S+ 0 0 89 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.839 110.7 46.9 -56.1 -35.3 19.6 32.6 40.6 91 95 A E H X S+ 0 0 4 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.829 111.5 50.8 -75.9 -32.8 22.0 35.3 41.7 92 96 A L H X S+ 0 0 0 -4,-1.4 4,-3.2 -3,-0.2 7,-0.2 0.880 108.5 51.6 -71.0 -39.5 24.7 32.9 42.8 93 97 A E H < S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.891 110.0 50.2 -62.8 -40.7 24.5 31.0 39.4 94 98 A N H < S+ 0 0 129 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.806 127.1 21.3 -68.8 -28.8 24.9 34.3 37.6 95 99 A T H < S+ 0 0 27 -4,-1.2 -2,-0.2 1,-0.1 -3,-0.2 0.784 101.7 78.0-114.0 -35.1 28.0 35.4 39.6 96 100 A I S >< S- 0 0 25 -4,-3.2 3,-1.9 -5,-0.2 -1,-0.1 -0.727 75.3-128.1 -89.0 116.4 29.8 32.5 41.3 97 101 A P T 3 S+ 0 0 123 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.387 94.2 17.6 -60.1 129.5 32.1 30.5 39.0 98 102 A G T 3 S+ 0 0 79 1,-0.3 2,-0.4 -5,-0.1 -5,-0.1 0.306 92.3 132.4 91.1 -8.5 31.4 26.8 39.3 99 103 A F < + 0 0 15 -3,-1.9 2,-0.4 -7,-0.2 -1,-0.3 -0.648 28.5 176.8 -83.3 127.4 28.0 27.3 40.9 100 104 A T - 0 0 90 -2,-0.4 -8,-0.0 -3,-0.1 -7,-0.0 -0.976 44.1 -88.1-127.6 139.9 25.0 25.3 39.5 101 105 A R - 0 0 101 -2,-0.4 116,-0.0 1,-0.1 -15,-0.0 -0.200 46.0-135.5 -48.9 128.0 21.5 25.4 41.0 102 106 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 117,-0.1 -0.232 8.4-128.4 -78.5 178.0 21.1 22.8 43.8 103 107 A N S S+ 0 0 138 -23,-0.0 2,-0.3 -2,-0.0 -22,-0.1 0.226 86.2 38.9-112.3 12.0 18.1 20.5 44.3 104 108 A H - 0 0 11 114,-0.1 -24,-0.1 -24,-0.1 -28,-0.1 -0.877 69.2-130.5-148.8 177.8 17.5 21.4 47.9 105 109 A G + 0 0 0 -29,-0.4 -30,-1.3 -26,-0.3 2,-0.7 0.209 57.0 129.7-123.6 16.4 17.5 24.3 50.3 106 110 A Y + 0 0 29 -32,-0.2 3,-0.3 1,-0.1 -30,-0.1 -0.631 29.0 179.2 -78.0 113.2 19.6 22.9 53.2 107 111 A L >> + 0 0 0 -2,-0.7 4,-1.4 1,-0.2 3,-1.0 -0.082 38.1 122.0-108.0 33.6 22.4 25.4 54.1 108 112 A E H 3> S+ 0 0 30 1,-0.3 4,-2.2 111,-0.2 5,-0.2 0.880 73.6 61.8 -61.3 -37.6 24.2 23.8 57.0 109 113 A S H 3> S+ 0 0 15 110,-0.4 4,-0.6 -3,-0.3 -1,-0.3 0.748 100.8 53.4 -59.5 -27.7 27.5 23.9 55.0 110 114 A W H X4>S+ 0 0 0 -3,-1.0 5,-1.9 2,-0.2 3,-1.2 0.944 109.4 47.3 -71.1 -48.9 27.2 27.7 54.9 111 115 A A H ><5S+ 0 0 1 -4,-1.4 3,-1.2 1,-0.3 -2,-0.2 0.844 108.2 56.6 -59.0 -35.8 26.9 27.9 58.7 112 116 A R H 3<5S+ 0 0 173 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.710 105.7 52.5 -69.6 -20.1 29.9 25.5 58.9 113 117 A Q T <<5S- 0 0 49 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.335 132.2 -84.3 -98.5 4.9 31.9 28.0 56.9 114 118 A G T < 5S+ 0 0 2 -3,-1.2 -61,-3.3 -4,-0.2 -60,-2.4 0.624 82.8 136.5 103.9 15.1 31.2 31.0 59.0 115 119 A V E < -c 54 0B 0 -5,-1.9 2,-1.1 -62,-0.2 -1,-0.2 -0.840 43.2-152.0 -98.8 102.1 27.9 32.3 57.6 116 120 A L E -c 55 0B 0 -62,-2.9 -60,-2.1 -2,-0.9 2,-1.4 -0.653 7.8-163.3 -75.0 100.9 25.7 33.2 60.6 117 121 A L E +c 56 0B 0 -2,-1.1 -45,-1.5 -62,-0.2 2,-0.5 -0.735 22.6 175.5 -89.2 87.6 22.2 32.6 59.1 118 122 A L E -c 57 0B 0 -2,-1.4 -60,-2.5 -62,-1.3 2,-0.3 -0.858 26.0-155.8-106.8 126.2 20.3 34.5 61.7 119 123 A N E -c 58 0B 17 -2,-0.5 -60,-0.2 -62,-0.2 -59,-0.1 -0.746 20.4-135.7 -91.3 142.7 16.6 35.2 61.8 120 124 A T S S+ 0 0 3 -62,-1.2 2,-0.4 -2,-0.3 21,-0.4 0.736 99.1 41.1 -71.7 -23.1 15.7 38.4 63.8 121 125 A V S S- 0 0 0 -62,-2.4 -1,-0.2 19,-0.1 12,-0.1 -0.989 76.1-158.5-125.5 115.4 12.7 36.5 65.4 122 126 A L + 0 0 12 -2,-0.4 2,-0.3 -62,-0.2 -62,-0.1 0.376 66.8 34.8 -80.8 2.7 13.6 32.9 66.4 123 127 A T - 0 0 0 9,-0.1 9,-0.3 -62,-0.1 2,-0.3 -0.938 54.6-173.0-148.6 170.0 10.1 31.3 66.5 124 128 A V E -A 34 0A 0 -90,-1.0 -90,-2.3 -2,-0.3 2,-0.4 -0.960 34.0-106.5-162.1 147.9 6.7 31.5 64.9 125 129 A R E > -AB 33 128A 73 3,-0.6 3,-1.8 -2,-0.3 -92,-0.3 -0.716 53.2 -97.7 -80.8 131.1 3.3 29.9 65.6 126 130 A A T 3 S+ 0 0 21 -94,-3.0 -62,-0.2 -2,-0.4 -94,-0.1 -0.212 105.4 9.0 -49.5 133.6 2.6 27.2 63.0 127 131 A G T 3 S+ 0 0 56 -64,-2.2 2,-0.6 1,-0.1 -1,-0.2 0.126 110.7 89.4 82.9 -21.7 0.4 28.5 60.2 128 132 A Q B X S-B 125 0A 82 -3,-1.8 3,-1.2 -65,-0.1 -3,-0.6 -0.890 70.3-141.5-116.3 105.3 0.5 32.2 61.2 129 133 A A T 3 S+ 0 0 1 -2,-0.6 378,-0.1 1,-0.2 -67,-0.1 -0.238 81.1 6.6 -62.9 144.3 3.4 34.2 59.8 130 134 A H T > S+ 0 0 17 -69,-0.3 3,-1.0 336,-0.2 -1,-0.2 0.699 82.6 140.6 56.4 26.8 5.1 36.8 62.0 131 135 A S T < + 0 0 17 -3,-1.2 -7,-0.1 1,-0.2 -1,-0.1 0.603 66.2 49.3 -75.0 -12.7 3.1 35.7 65.1 132 136 A H T > S+ 0 0 0 -9,-0.3 3,-0.5 -7,-0.1 5,-0.4 0.136 81.0 119.1-115.2 21.5 6.1 36.0 67.5 133 137 A A T < S+ 0 0 22 -3,-1.0 -12,-0.0 1,-0.2 -73,-0.0 -0.315 70.8 27.4 -79.0 167.4 7.3 39.5 66.7 134 138 A S T 3 S+ 0 0 129 1,-0.1 -1,-0.2 -2,-0.1 -13,-0.0 0.833 95.8 105.6 46.4 36.7 7.4 42.4 69.3 135 139 A L S < S- 0 0 44 -3,-0.5 -1,-0.1 -113,-0.0 -113,-0.1 0.264 102.9 -81.6-123.9 1.3 7.7 39.6 71.8 136 140 A G S > S+ 0 0 15 -117,-0.1 4,-1.7 -118,-0.1 3,-0.2 0.141 103.3 101.1 122.3 -26.1 11.4 40.0 72.7 137 141 A W H > S+ 0 0 1 -5,-0.4 4,-3.1 1,-0.2 5,-0.3 0.849 81.1 58.2 -61.5 -36.5 13.4 38.2 70.0 138 142 A E H > S+ 0 0 33 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.868 104.7 49.9 -62.0 -40.5 14.3 41.5 68.3 139 143 A T H > S+ 0 0 74 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.949 113.7 47.3 -64.3 -44.0 15.9 42.9 71.4 140 144 A F H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.930 112.8 45.8 -62.5 -51.0 17.9 39.7 71.7 141 145 A T H X S+ 0 0 0 -4,-3.1 4,-1.7 -21,-0.4 -1,-0.2 0.770 108.5 59.8 -67.0 -19.8 19.0 39.6 68.1 142 146 A D H X S+ 0 0 58 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.943 106.8 45.2 -70.1 -44.7 19.8 43.3 68.4 143 147 A K H X S+ 0 0 83 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.904 109.0 56.9 -64.9 -39.2 22.3 42.5 71.2 144 148 A V H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.886 110.0 43.8 -58.4 -41.4 23.7 39.6 69.2 145 149 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.818 112.4 53.9 -72.8 -30.0 24.5 42.0 66.3 146 150 A S H X S+ 0 0 35 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.880 107.9 50.2 -70.0 -38.6 25.8 44.5 68.8 147 151 A L H X S+ 0 0 10 -4,-2.8 4,-2.5 2,-0.2 5,-0.4 0.863 110.4 48.9 -67.6 -37.6 28.1 41.8 70.2 148 152 A I H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.933 110.1 51.1 -68.3 -43.8 29.4 40.9 66.8 149 153 A N H < S+ 0 0 29 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.858 118.4 41.6 -58.4 -35.0 30.1 44.6 65.9 150 154 A Q H < S+ 0 0 106 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.971 121.1 30.5 -79.0 -64.6 32.0 44.9 69.2 151 155 A H H < S+ 0 0 78 -4,-2.5 2,-0.2 -5,-0.1 -3,-0.2 0.679 115.6 60.7 -76.6 -18.6 34.2 41.8 69.7 152 156 A R < - 0 0 39 -4,-1.6 2,-0.3 -5,-0.4 -102,-0.1 -0.504 62.5-154.7-106.4 174.9 34.8 41.1 66.0 153 157 A E + 0 0 91 -2,-0.2 23,-0.2 1,-0.0 22,-0.1 -0.984 69.4 12.8-152.5 134.1 36.4 42.9 63.1 154 158 A G S S+ 0 0 1 21,-2.2 2,-0.2 -2,-0.3 22,-0.2 0.525 72.6 154.8 80.9 8.1 35.9 42.7 59.4 155 159 A V - 0 0 1 -7,-0.1 22,-1.3 20,-0.1 2,-0.6 -0.496 40.1-132.9 -71.3 133.2 32.7 40.7 59.3 156 160 A V E -de 54 177B 0 -103,-2.3 -101,-2.1 -2,-0.2 2,-0.4 -0.814 18.3-155.1 -93.8 118.7 30.7 41.2 56.1 157 161 A F E -de 55 178B 0 20,-3.0 22,-3.0 -2,-0.6 2,-0.7 -0.786 5.4-158.6 -94.9 132.6 27.0 41.9 56.8 158 162 A L E -de 56 179B 0 -103,-3.3 -101,-1.1 -2,-0.4 2,-0.7 -0.870 13.3-174.1-113.5 97.4 24.4 41.1 54.1 159 163 A L E - e 0 180B 0 20,-2.4 22,-1.7 -2,-0.7 2,-0.5 -0.829 1.3-174.3 -99.0 110.5 21.3 43.1 54.8 160 164 A W E > + e 0 181B 4 -2,-0.7 4,-0.5 -103,-0.4 23,-0.2 -0.897 52.0 8.0-109.2 126.3 18.3 42.4 52.5 161 165 A G H > S- 0 0 1 20,-2.2 4,-2.2 -2,-0.5 3,-0.2 0.110 90.0 -85.4 87.3 153.2 15.1 44.4 52.7 162 166 A S H > S+ 0 0 28 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.774 124.9 60.5 -63.9 -29.8 14.4 47.5 54.7 163 167 A H H 4 S+ 0 0 37 305,-0.2 3,-0.5 2,-0.2 4,-0.3 0.931 110.5 39.6 -64.1 -46.9 13.5 45.6 57.8 164 168 A A H >< S+ 0 0 6 -4,-0.5 3,-2.4 1,-0.2 -2,-0.2 0.919 108.3 63.1 -68.1 -43.9 17.0 43.9 58.0 165 169 A Q H >< S+ 0 0 46 -4,-2.2 3,-1.6 1,-0.3 4,-0.2 0.702 89.0 69.7 -54.3 -25.3 18.7 47.1 56.9 166 170 A K G >< S+ 0 0 154 -4,-0.9 3,-1.1 -3,-0.5 -1,-0.3 0.779 89.6 63.6 -67.1 -22.5 17.5 48.8 60.1 167 171 A K G < S+ 0 0 16 -3,-2.4 3,-0.5 -4,-0.3 -1,-0.3 0.388 82.5 77.3 -83.6 7.0 19.9 46.6 62.0 168 172 A G G X S+ 0 0 2 -3,-1.6 3,-2.0 1,-0.2 -1,-0.2 0.643 73.1 82.7 -86.3 -14.8 22.9 48.2 60.4 169 173 A A T < S+ 0 0 87 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.745 91.0 48.7 -58.9 -27.6 22.5 51.2 62.7 170 174 A I T 3 S+ 0 0 61 -3,-0.5 2,-0.5 -4,-0.1 -1,-0.3 0.174 95.8 89.6-100.7 18.8 24.4 49.3 65.4 171 175 A I S < S- 0 0 5 -3,-2.0 2,-0.6 -22,-0.1 -25,-0.1 -0.970 77.1-130.6-119.8 120.9 27.2 48.3 63.1 172 176 A D > - 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