==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-FEB-12 4DLC . COMPND 2 MOLECULE: DEOXYURIDINE TRIPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR G.R.HEMSWORTH,D.GONZALEZ-PACANOWSKA,K.S.WILSON . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 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 . 1 0.5 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 . 9 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 53.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 2 2 0 0 0 0 0 0 0 0 0 1 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A V 0 0 101 0, 0.0 2,-0.3 0, 0.0 128,-0.2 0.000 360.0 360.0 360.0 -68.8 -0.9 -0.5 6.8 2 8 A S - 0 0 104 126,-0.1 2,-0.2 127,-0.1 123,-0.0 -0.976 360.0-126.9-143.0 157.7 1.4 2.5 6.1 3 9 A L - 0 0 37 -2,-0.3 185,-0.0 1,-0.1 125,-0.0 -0.602 48.5 -84.5 -88.8 158.0 1.4 6.0 4.7 4 10 A S > - 0 0 55 -2,-0.2 4,-2.8 1,-0.1 3,-0.3 -0.415 38.5-124.9 -53.7 138.5 3.8 7.1 2.0 5 11 A P H > S+ 0 0 104 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.799 112.4 55.3 -60.3 -28.7 7.0 8.3 3.7 6 12 A L H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.887 109.3 46.2 -71.9 -37.8 6.7 11.6 2.0 7 13 A I H > S+ 0 0 5 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.944 112.5 50.7 -66.0 -47.4 3.2 12.1 3.4 8 14 A L H X S+ 0 0 50 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.891 109.1 51.4 -55.6 -43.4 4.4 11.0 6.9 9 15 A R H X S+ 0 0 155 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.906 109.2 49.7 -63.5 -42.5 7.2 13.5 6.7 10 16 A S H X S+ 0 0 8 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.883 110.4 50.9 -63.9 -37.9 4.9 16.3 5.8 11 17 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.926 109.5 51.2 -62.5 -41.9 2.6 15.4 8.7 12 18 A A H X S+ 0 0 19 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.864 108.8 51.2 -63.4 -35.8 5.6 15.4 11.0 13 19 A E H X S+ 0 0 33 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.925 109.7 48.7 -65.7 -45.9 6.5 18.9 9.7 14 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.930 111.4 51.7 -57.4 -42.5 3.0 20.1 10.4 15 21 A Q H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.922 108.5 49.4 -63.7 -45.0 3.2 18.6 13.9 16 22 A D H X S+ 0 0 48 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.933 110.8 51.5 -58.0 -43.6 6.6 20.3 14.7 17 23 A G H X S+ 0 0 18 -4,-2.4 4,-1.4 204,-0.3 -1,-0.2 0.877 111.4 46.4 -61.1 -44.2 5.1 23.6 13.5 18 24 A L H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 3,-0.3 0.919 110.2 53.0 -64.7 -45.2 2.1 23.3 15.8 19 25 A N H X S+ 0 0 13 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.874 108.0 52.8 -57.9 -34.7 4.2 22.2 18.7 20 26 A T H < S+ 0 0 57 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.805 103.2 56.0 -71.5 -32.1 6.3 25.4 18.1 21 27 A V H < S+ 0 0 62 -4,-1.4 3,-0.2 -3,-0.3 -1,-0.2 0.922 109.9 47.1 -62.1 -42.6 3.1 27.6 18.2 22 28 A V H < S- 0 0 50 -4,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.959 139.0 -5.7 -64.7 -50.9 2.4 26.1 21.7 23 29 A D >< - 0 0 47 -4,-2.5 3,-2.1 -5,-0.2 -1,-0.3 -0.907 59.4-143.2-147.7 126.8 6.0 26.7 22.7 24 30 A K T 3 S+ 0 0 169 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.851 106.4 38.0 -51.3 -40.6 9.0 28.0 20.6 25 31 A N T >> S+ 0 0 85 1,-0.2 3,-2.0 2,-0.1 4,-1.7 -0.127 73.0 136.1-105.5 39.8 11.4 25.7 22.5 26 32 A W H <> + 0 0 5 -3,-2.1 4,-2.5 1,-0.3 -1,-0.2 0.841 65.4 65.8 -55.3 -32.9 9.2 22.7 22.8 27 33 A R H 34 S+ 0 0 112 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.738 111.6 35.2 -66.6 -19.7 12.0 20.4 21.8 28 34 A Q H <4 S+ 0 0 119 -3,-2.0 -1,-0.2 3,-0.0 -2,-0.2 0.705 119.6 48.9 -94.8 -29.6 13.8 21.4 25.0 29 35 A L H < S+ 0 0 89 -4,-1.7 2,-0.2 -6,-0.1 -2,-0.2 0.801 99.9 69.4 -87.0 -31.3 10.8 21.7 27.3 30 36 A R < - 0 0 82 -4,-2.5 3,-0.0 -5,-0.2 0, 0.0 -0.569 60.6-162.1 -94.2 152.8 9.0 18.5 26.6 31 37 A R >> - 0 0 158 -2,-0.2 3,-2.0 1,-0.1 4,-0.9 -0.910 36.0-104.1-128.4 158.5 10.0 15.0 27.5 32 38 A P H >> S+ 0 0 30 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.826 118.0 61.4 -50.8 -40.2 8.9 11.6 26.2 33 39 A G H 3> S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.737 96.3 61.2 -60.3 -25.7 6.7 11.0 29.4 34 40 A D H <> S+ 0 0 62 -3,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.904 106.1 44.9 -63.0 -45.9 4.6 14.1 28.5 35 41 A W H < S+ 0 0 0 -4,-2.3 3,-1.6 2,-0.2 -2,-0.2 0.949 111.1 47.8 -62.6 -49.4 -11.6 7.5 22.9 47 53 A L H >< S+ 0 0 23 -4,-3.0 3,-1.7 1,-0.3 5,-0.3 0.883 106.6 58.3 -60.3 -37.0 -12.7 4.7 25.3 48 54 A D T 3< S+ 0 0 98 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.519 86.9 76.3 -77.1 -1.6 -15.4 7.0 26.7 49 55 A S T < S+ 0 0 10 -3,-1.6 14,-3.2 -4,-0.3 -1,-0.3 0.519 92.4 70.1 -76.4 -8.1 -16.9 7.4 23.2 50 56 A Y S < S- 0 0 11 -3,-1.7 2,-2.0 12,-0.2 3,-0.3 -0.803 93.8-114.3-109.8 155.5 -18.3 3.9 23.9 51 57 A P + 0 0 45 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.454 62.8 140.3 -83.4 67.0 -21.0 2.7 26.2 52 58 A W + 0 0 93 -2,-2.0 2,-0.3 -5,-0.3 -4,-0.1 0.737 36.6 98.2 -84.6 -22.4 -18.6 0.7 28.3 53 59 A K - 0 0 55 -3,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.502 51.3-168.0 -76.6 126.5 -20.1 1.5 31.8 54 60 A W S S+ 0 0 193 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.438 87.1 44.1 -88.9 -4.0 -22.4 -1.1 33.1 55 61 A W S S+ 0 0 147 1,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.395 107.2 59.9-118.2 -4.4 -23.8 1.1 35.9 56 62 A K S S- 0 0 130 1,-0.1 -1,-0.2 -3,-0.1 4,-0.2 -0.994 121.7 -27.3-138.4 122.9 -24.3 4.4 34.1 57 63 A N > - 0 0 119 -2,-0.4 3,-1.8 1,-0.1 -1,-0.1 0.873 69.1-174.6 34.1 67.7 -26.6 4.9 31.1 58 64 A V T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.0 0.711 74.5 53.5 -65.5 -24.6 -26.3 1.3 30.0 59 65 A K T 3 S+ 0 0 183 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.218 79.8 131.3 -98.1 14.9 -28.3 1.7 26.8 60 66 A A < - 0 0 30 -3,-1.8 -4,-0.0 -4,-0.2 -3,-0.0 -0.228 54.0-124.7 -59.5 155.6 -26.2 4.6 25.5 61 67 A Q - 0 0 157 -11,-0.1 -1,-0.1 1,-0.1 -2,-0.0 -0.794 25.9 -99.7-104.2 149.3 -24.9 4.5 21.9 62 68 A P - 0 0 41 0, 0.0 2,-1.2 0, 0.0 -12,-0.2 -0.353 23.3-132.9 -67.6 143.5 -21.3 4.8 20.8 63 69 A D > + 0 0 85 -14,-3.2 4,-1.4 1,-0.2 3,-0.1 -0.742 33.6 172.5 -96.0 80.8 -20.2 8.2 19.4 64 70 A L H > S+ 0 0 95 -2,-1.2 4,-0.9 1,-0.2 -1,-0.2 0.773 72.8 56.7 -70.9 -23.9 -18.5 6.8 16.4 65 71 A Q H >> S+ 0 0 90 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.910 105.7 51.6 -70.5 -37.5 -17.8 10.3 14.9 66 72 A N H 3> S+ 0 0 20 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.826 97.8 67.0 -68.9 -28.6 -15.9 11.3 18.0 67 73 A V H 3X S+ 0 0 3 -4,-1.4 4,-2.5 1,-0.2 -1,-0.3 0.894 99.3 52.0 -51.7 -43.7 -13.8 8.1 17.7 68 74 A K H < S+ 0 0 0 -4,-1.4 3,-0.7 -5,-0.3 4,-0.4 0.918 110.4 49.3 -68.6 -45.0 5.3 14.3 18.6 81 87 A G H >X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 3,-1.7 0.896 105.8 58.3 -59.4 -39.6 6.7 11.5 20.8 82 88 A A H 3< S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.731 96.7 62.2 -64.6 -24.6 8.4 9.9 17.8 83 89 A M T << S+ 0 0 46 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.600 112.7 37.4 -74.7 -13.1 10.4 13.2 17.3 84 90 A Q T <4 S+ 0 0 50 -3,-1.7 2,-0.4 -4,-0.4 -2,-0.2 0.738 125.8 21.7-107.5 -33.9 11.9 12.6 20.7 85 91 A V < - 0 0 36 -4,-2.2 -1,-0.3 -53,-0.1 35,-0.2 -0.987 60.7-143.3-142.3 133.0 12.4 8.8 20.9 86 92 A S - 0 0 91 -2,-0.4 34,-0.1 -3,-0.1 -3,-0.0 -0.368 41.7-108.0 -69.8 161.1 12.7 6.1 18.4 87 93 A D 0 0 40 1,-0.2 -1,-0.1 -2,-0.1 -5,-0.0 0.684 360.0 360.0 -71.8 -15.3 11.0 3.0 19.6 88 94 A E 0 0 134 31,-0.0 -1,-0.2 0, 0.0 31,-0.0 0.902 360.0 360.0 -68.7 360.0 14.6 1.6 20.1 89 ! 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 90 153 A L >> 0 0 90 0, 0.0 4,-1.9 0, 0.0 3,-1.5 0.000 360.0 360.0 360.0 -62.9 0.6 -5.1 15.2 91 154 A A T 34 + 0 0 86 1,-0.3 5,-0.1 2,-0.2 0, 0.0 0.605 360.0 70.5 -67.7 -11.6 -1.8 -8.1 15.3 92 155 A D T 34 S+ 0 0 87 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.789 115.3 18.1 -68.3 -32.7 -0.8 -8.7 19.0 93 156 A F T <4 S+ 0 0 21 -3,-1.5 2,-0.4 1,-0.1 17,-0.3 0.616 111.8 69.6-124.4 -17.8 -2.6 -5.6 20.2 94 157 A M < - 0 0 9 -4,-1.9 2,-0.5 16,-0.1 -1,-0.1 -0.915 60.6-161.1-106.9 138.1 -5.1 -4.4 17.6 95 158 A F - 0 0 75 -2,-0.4 12,-0.2 8,-0.4 11,-0.1 -0.959 20.9-115.4-124.7 116.7 -8.2 -6.4 17.0 96 159 A F S S+ 0 0 97 -2,-0.5 2,-0.1 1,-0.1 34,-0.0 -0.754 86.0 43.3-103.6 148.3 -10.3 -6.0 13.9 97 160 A P > - 0 0 65 0, 0.0 3,-1.3 0, 0.0 6,-0.2 0.441 61.9-168.1 -80.0 142.7 -13.1 -5.2 13.0 98 161 A L T 3 S+ 0 0 3 1,-0.3 6,-0.2 5,-0.1 -2,-0.1 0.592 79.2 80.6 -71.7 -8.0 -13.1 -2.2 15.3 99 162 A S T 3 S+ 0 0 103 34,-0.1 2,-0.7 4,-0.1 -1,-0.3 0.735 75.4 85.8 -68.1 -21.4 -16.8 -1.8 14.7 100 163 A D S X> S- 0 0 67 -3,-1.3 4,-2.1 1,-0.2 3,-0.5 -0.759 80.1-146.1 -77.9 117.3 -17.2 -4.5 17.3 101 164 A T H 3> S+ 0 0 49 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.857 96.2 55.5 -56.4 -38.3 -17.2 -2.7 20.6 102 165 A N H 3> S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 109.1 47.9 -63.5 -39.9 -15.3 -5.4 22.5 103 166 A N H <> S+ 0 0 38 -3,-0.5 4,-2.8 -6,-0.2 -8,-0.4 0.900 112.0 50.4 -61.9 -44.4 -12.5 -5.3 19.9 104 167 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -6,-0.2 5,-0.3 0.948 108.8 49.8 -62.0 -47.3 -12.4 -1.5 20.2 105 168 A L H X S+ 0 0 32 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.929 115.7 43.6 -60.9 -41.3 -12.2 -1.4 24.0 106 169 A A H X S+ 0 0 34 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.923 115.7 47.2 -66.2 -48.9 -9.4 -4.0 24.0 107 170 A S H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.901 113.4 47.4 -59.4 -43.6 -7.4 -2.3 21.2 108 171 A F H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.836 108.7 54.0 -79.0 -29.0 -7.7 1.2 22.6 109 172 A Q H X S+ 0 0 114 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.861 105.4 55.3 -63.4 -36.3 -6.6 0.0 26.0 110 173 A N H X S+ 0 0 50 -4,-1.6 4,-2.5 -17,-0.3 -2,-0.2 0.827 97.8 62.5 -68.4 -29.0 -3.6 -1.5 24.3 111 174 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.899 101.0 53.4 -58.7 -38.7 -2.8 1.9 22.9 112 175 A I H X S+ 0 0 47 -4,-1.0 4,-2.2 -3,-0.2 -2,-0.2 0.936 108.2 49.5 -62.6 -42.4 -2.4 3.1 26.5 113 176 A R H X S+ 0 0 62 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.935 111.7 47.7 -62.1 -45.3 0.1 0.2 27.1 114 177 A L H <>S+ 0 0 15 -4,-2.5 5,-2.6 1,-0.2 -1,-0.2 0.879 110.8 52.4 -61.9 -40.3 2.2 1.1 24.0 115 178 A A H ><5S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.890 106.9 51.9 -61.2 -43.7 2.1 4.8 25.0 116 179 A S H 3<5S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.815 109.0 50.9 -66.9 -30.7 3.4 4.0 28.5 117 180 A L T 3<5S- 0 0 105 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.363 113.9-121.7 -79.2 1.7 6.3 2.0 26.8 118 181 A Q T < 5 + 0 0 68 -3,-1.5 2,-1.2 1,-0.2 3,-0.2 0.819 61.1 149.8 53.7 39.0 7.0 5.0 24.6 119 182 A R >< + 0 0 106 -5,-2.6 4,-2.1 1,-0.2 3,-0.2 -0.529 10.9 158.0 -92.8 66.2 6.5 3.0 21.5 120 183 A F H > + 0 0 0 -2,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.867 66.7 53.5 -66.8 -38.1 5.3 6.1 19.6 121 184 A Q H > S+ 0 0 82 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 109.6 50.0 -64.3 -35.7 5.9 4.8 16.1 122 185 A L H > S+ 0 0 47 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.892 108.2 52.7 -70.4 -37.7 3.9 1.7 16.9 123 186 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.933 108.4 50.8 -58.9 -46.6 1.1 3.9 18.2 124 187 A T H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.929 110.6 49.3 -54.8 -46.5 1.2 5.9 14.9 125 188 A S H X S+ 0 0 56 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.883 109.0 53.5 -59.7 -39.9 1.0 2.5 13.0 126 189 A A H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.873 108.9 47.6 -61.6 -43.1 -2.0 1.5 15.2 127 190 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.916 111.8 49.9 -67.5 -43.6 -3.9 4.7 14.4 128 191 A I H X S+ 0 0 16 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.935 113.3 47.2 -58.0 -43.2 -3.2 4.3 10.6 129 192 A A H X S+ 0 0 25 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.895 110.9 51.5 -66.3 -41.3 -4.4 0.7 10.8 130 193 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.902 109.8 48.6 -62.9 -43.2 -7.5 1.8 12.8 131 194 A A H X>S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 5,-1.9 0.872 111.2 51.2 -65.5 -36.7 -8.5 4.5 10.2 132 195 A D H <5S+ 0 0 121 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.936 114.5 43.7 -63.4 -42.7 -8.0 1.9 7.5 133 196 A D H <5S+ 0 0 58 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.938 118.3 41.4 -70.6 -48.7 -10.3 -0.5 9.3 134 197 A I H <5S- 0 0 62 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.872 110.5-124.6 -65.5 -36.7 -13.0 1.9 10.3 135 198 A G T <5 + 0 0 61 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.894 58.2 135.7 91.7 49.4 -12.8 3.6 6.9 136 199 A F < - 0 0 18 -5,-1.9 2,-1.4 -6,-0.1 -1,-0.3 -0.909 62.8-106.0-124.8 161.8 -12.1 7.2 7.6 137 200 A N > + 0 0 18 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.626 36.7 179.4 -90.0 88.5 -9.7 9.7 6.0 138 201 A L H > S+ 0 0 10 -2,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.866 77.9 51.8 -61.1 -44.6 -7.0 10.0 8.7 139 202 A V H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 111.8 46.0 -60.5 -45.3 -4.8 12.5 6.7 140 203 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.920 113.0 51.0 -62.8 -43.6 -7.7 14.8 6.0 141 204 A Y H X S+ 0 0 17 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.924 109.2 52.2 -56.0 -43.4 -8.8 14.6 9.7 142 205 A Y H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.936 110.0 46.5 -58.9 -51.1 -5.3 15.4 10.8 143 206 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.916 114.7 48.1 -61.9 -41.1 -5.1 18.5 8.6 144 207 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.951 115.5 41.8 -66.3 -47.6 -8.5 19.7 9.8 145 208 A K H X S+ 0 0 2 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.892 110.1 58.8 -70.0 -33.6 -7.8 19.2 13.6 146 209 A H H X S+ 0 0 1 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.919 108.2 47.3 -56.1 -42.7 -4.3 20.6 13.2 147 210 A T H X S+ 0 0 3 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.937 111.5 48.4 -66.8 -47.4 -6.0 23.8 11.9 148 211 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.904 108.2 56.8 -58.9 -39.3 -8.5 23.8 14.8 149 212 A N H X S+ 0 0 30 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.896 108.7 45.5 -57.7 -44.1 -5.6 23.3 17.2 150 213 A G H X S+ 0 0 8 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.893 111.2 52.6 -64.3 -41.5 -3.9 26.4 15.9 151 214 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.931 106.6 53.6 -58.8 -46.6 -7.2 28.4 16.0 152 215 A R H <>S+ 0 0 9 -4,-2.9 5,-2.5 1,-0.2 3,-0.3 0.900 107.2 51.3 -56.1 -42.0 -7.6 27.4 19.7 153 216 A Q H ><5S+ 0 0 47 -4,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.907 109.4 50.2 -64.9 -38.1 -4.1 28.7 20.5 154 217 A M H 3<5S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.793 111.1 51.3 -64.8 -30.1 -5.0 32.0 18.8 155 218 A K T 3<5S- 0 0 105 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 -0.012 126.9 -87.8-105.1 24.3 -8.3 32.2 20.8 156 219 A G T X>>S+ 0 0 11 -3,-1.1 5,-1.8 -5,-0.1 6,-0.7 0.639 74.1 142.9 88.7 21.1 -6.8 31.6 24.3 157 220 A Y G >4 -A 169 0A 119 3,-2.5 3,-1.8 -2,-0.6 -2,-0.0 -0.996 65.3 -10.2-130.9 129.5 -21.0 26.9 22.0 167 230 A K T 3 S- 0 0 216 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.906 131.1 -50.7 51.8 44.2 -24.8 26.9 21.3 168 231 A G T 3 S+ 0 0 68 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.429 118.1 106.3 80.1 3.0 -24.9 23.1 21.6 169 232 A V E < -A 166 0A 54 -3,-1.8 -3,-2.5 3,-0.0 2,-0.3 -0.962 60.2-142.5-124.8 124.7 -22.0 22.4 19.2 170 233 A E E >> -A 165 0A 44 -2,-0.5 3,-1.6 -5,-0.3 4,-0.6 -0.644 27.3-121.3 -77.9 140.1 -18.5 21.3 20.1 171 234 A D G >4 S+ 0 0 5 -7,-2.3 3,-1.6 -2,-0.3 4,-0.4 0.889 111.2 61.6 -51.7 -40.0 -15.8 22.9 17.9 172 235 A N G >> S+ 0 0 5 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.798 92.2 65.6 -55.2 -35.9 -14.6 19.4 16.8 173 236 A E G X4 S+ 0 0 94 -3,-1.6 3,-0.7 1,-0.3 4,-0.5 0.797 92.2 61.6 -59.8 -32.5 -18.0 18.6 15.3 174 237 A L G S+ 0 0 1 -3,-1.6 4,-1.3 -4,-0.4 3,-0.6 0.829 82.2 68.7 -72.2 -33.1 -14.6 19.5 11.3 176 239 A H H XX S+ 0 0 39 -3,-0.7 4,-1.4 -4,-0.5 3,-0.6 0.908 103.3 43.9 -55.4 -45.1 -16.5 16.6 9.7 177 240 A G H 34 S+ 0 0 45 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.685 107.0 59.7 -77.0 -18.5 -18.1 18.8 7.0 178 241 A C H << S+ 0 0 8 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.785 115.0 36.2 -70.9 -29.2 -14.8 20.6 6.3 179 242 A I H X< S+ 0 0 5 -4,-1.3 3,-1.8 -3,-0.6 -2,-0.2 0.614 92.9 83.7 -97.0 -30.2 -13.2 17.2 5.4 180 243 A S T 3< S+ 0 0 95 -4,-1.4 -3,-0.1 1,-0.3 -1,-0.1 0.799 84.1 60.5 -61.6 -28.6 -16.1 15.2 3.6 181 244 A P T 3 S+ 0 0 69 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.702 93.6 84.9 -65.5 -15.9 -15.5 16.8 0.2 182 245 A F < - 0 0 22 -3,-1.8 2,-0.1 -45,-0.0 -45,-0.1 -0.713 67.3-148.8 -99.0 131.0 -12.0 15.4 0.1 183 246 A S > - 0 0 52 -2,-0.4 4,-1.6 1,-0.1 5,-0.1 -0.458 29.3-110.8 -87.8 167.2 -11.0 11.9 -1.0 184 247 A L H > S+ 0 0 109 1,-0.2 4,-0.7 2,-0.2 5,-0.1 0.901 122.5 49.8 -59.2 -42.7 -8.2 9.8 0.2 185 248 A D H >> S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 3,-0.9 0.908 104.6 58.8 -64.2 -40.7 -6.5 10.2 -3.2 186 249 A D H 34 S+ 0 0 42 1,-0.2 10,-0.3 2,-0.2 -1,-0.2 0.876 111.8 39.3 -52.3 -47.4 -7.0 14.0 -3.0 187 250 A V H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.451 122.9 39.1 -92.2 -0.9 -5.0 14.3 0.2 188 251 A T H << S+ 0 0 53 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.445 76.1 129.7-122.9 -0.4 -2.2 11.8 -0.6 189 252 A N X - 0 0 63 -4,-1.8 4,-2.0 1,-0.1 5,-0.2 -0.302 59.3-134.3 -58.0 125.7 -1.6 12.5 -4.4 190 253 A E T 4 S+ 0 0 157 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.835 98.1 34.1 -54.4 -39.0 2.2 12.9 -4.8 191 254 A G T 4 S+ 0 0 75 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.820 129.6 26.1 -85.9 -33.6 1.9 16.0 -6.9 192 255 A N T >> S+ 0 0 71 1,-0.1 4,-1.4 2,-0.1 3,-0.9 0.411 82.6 105.0-118.3 0.0 -1.1 17.9 -5.7 193 256 A Y H 3X S+ 0 0 20 -4,-2.0 4,-2.6 1,-0.3 5,-0.2 0.827 77.7 59.2 -57.6 -37.5 -1.6 16.9 -2.0 194 257 A K H 3> S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.842 103.7 50.9 -63.7 -36.5 -0.3 20.2 -0.6 195 258 A T H <> S+ 0 0 67 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.898 110.5 49.0 -64.9 -38.6 -2.9 22.2 -2.4 196 259 A K H X S+ 0 0 52 -4,-1.4 4,-2.2 -10,-0.3 -2,-0.2 0.896 109.9 51.4 -69.8 -37.8 -5.7 20.0 -1.0 197 260 A W H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.930 109.3 51.2 -62.5 -40.2 -4.3 20.3 2.5 198 261 A D H X S+ 0 0 37 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.899 107.7 52.9 -62.5 -38.7 -4.3 24.1 2.0 199 262 A D H X S+ 0 0 72 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.905 108.5 49.7 -62.6 -46.2 -8.0 23.8 0.9 200 263 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.941 109.4 52.9 -55.7 -50.3 -8.8 21.9 4.1 201 264 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.940 109.5 47.1 -53.5 -50.1 -7.1 24.5 6.2 202 265 A H H X S+ 0 0 51 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.877 108.7 55.0 -65.8 -31.3 -9.1 27.4 4.6 203 266 A R H X S+ 0 0 113 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.897 110.2 47.0 -63.5 -37.7 -12.3 25.5 5.1 204 267 A V H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.942 110.6 51.0 -72.5 -41.4 -11.6 25.2 8.8 205 268 A Y H >X>S+ 0 0 4 -4,-2.7 5,-2.5 1,-0.2 4,-0.5 0.912 109.9 51.6 -60.7 -41.1 -10.6 28.9 9.1 206 269 A D H ><5S+ 0 0 101 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.892 104.4 56.3 -55.6 -46.2 -13.9 29.7 7.4 207 270 A A H 3<5S+ 0 0 45 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.749 115.0 38.3 -62.2 -26.9 -15.8 27.5 9.9 208 271 A F H <<5S- 0 0 39 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.348 109.8-120.0-109.2 5.8 -14.3 29.6 12.8 209 272 A G T <<5 - 0 0 57 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.763 42.7-178.5 67.8 27.1 -14.5 33.0 11.0 210 273 A T < - 0 0 4 -5,-2.5 -1,-0.2 -6,-0.2 5,-0.1 -0.411 32.5-113.6 -62.2 120.8 -10.8 33.5 11.3 211 274 A P >> - 0 0 93 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.286 25.2-116.9 -53.5 139.7 -9.9 36.9 9.8 212 275 A K G >4 S+ 0 0 84 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.811 112.8 58.4 -46.8 -37.7 -7.8 36.5 6.6 213 276 A E G 34 S+ 0 0 106 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.730 105.4 50.1 -69.8 -22.3 -4.8 38.3 8.1 214 277 A E G <4 S+ 0 0 42 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.513 88.4 107.5 -92.4 -11.4 -4.6 35.7 11.0 215 278 A R << - 0 0 43 -3,-1.1 2,-0.5 -4,-0.6 -13,-0.0 -0.478 56.9-150.7 -75.7 142.7 -4.7 32.6 8.7 216 279 A L - 0 0 54 -2,-0.2 2,-0.1 -15,-0.1 -2,-0.1 -0.973 15.7-148.3-112.2 120.3 -1.6 30.5 8.2 217 280 A N >> - 0 0 80 -2,-0.5 3,-1.7 1,-0.1 4,-0.5 -0.262 34.7 -89.0 -82.0 175.7 -1.5 28.8 4.8 218 281 A I H >> S+ 0 0 21 1,-0.3 3,-1.7 2,-0.2 4,-0.8 0.858 123.1 62.4 -56.4 -38.7 0.1 25.3 4.0 219 282 A G H 34 S+ 0 0 56 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.733 89.8 67.7 -63.7 -22.3 3.4 26.9 3.3 220 283 A H H <4 S+ 0 0 109 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.838 107.6 40.0 -58.6 -30.0 3.7 28.2 6.8 221 284 A W H << S+ 0 0 15 -3,-1.7 -204,-0.3 -4,-0.5 2,-0.3 0.620 97.4 86.8-102.6 -19.4 4.1 24.7 8.0 222 285 A L < 0 0 42 -4,-0.8 -212,-0.1 -3,-0.1 -211,-0.0 -0.626 360.0 360.0 -93.4 142.7 6.3 22.9 5.5 223 286 A K 0 0 119 -2,-0.3 -1,-0.1 -213,-0.0 -4,-0.1 0.066 360.0 360.0-102.3 360.0 10.1 22.7 5.3