==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-08 3FCF . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.BIANCHET,S.CHUNG,J.B.PARKER,L.M.AMZEL,J.T.STIVERS . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 0 0.0 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 1 1 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 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 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 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 82 A M 0 0 180 0, 0.0 2,-0.3 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 131.8 -18.9 8.2 27.3 2 83 A E - 0 0 118 1,-0.1 3,-0.2 47,-0.0 47,-0.0 -0.668 360.0-151.8 -96.3 145.4 -16.7 5.2 27.0 3 84 A F S S+ 0 0 103 1,-0.3 42,-0.4 -2,-0.3 2,-0.4 0.852 91.7 19.9 -74.4 -37.7 -13.7 4.7 24.8 4 85 A F S S- 0 0 9 44,-0.1 -1,-0.3 40,-0.1 42,-0.1 -0.993 93.8-104.7-142.1 123.5 -14.2 0.9 24.7 5 86 A G > - 0 0 5 40,-0.4 4,-2.5 -2,-0.4 3,-0.2 -0.185 26.7-129.0 -53.9 135.4 -17.4 -1.0 25.5 6 87 A E H > S+ 0 0 177 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.884 103.2 44.8 -53.2 -54.4 -17.5 -2.8 28.9 7 88 A S H > S+ 0 0 22 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.824 115.9 47.9 -65.6 -33.9 -18.6 -6.3 27.8 8 89 A W H > S+ 0 0 1 40,-0.3 4,-1.9 -3,-0.2 3,-0.5 0.890 108.7 54.9 -70.5 -41.3 -16.2 -6.3 24.8 9 90 A K H X S+ 0 0 93 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.903 102.0 58.4 -58.3 -43.5 -13.3 -5.1 27.1 10 91 A K H < S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.852 116.4 32.3 -53.7 -39.7 -13.9 -8.1 29.5 11 92 A H H < S+ 0 0 76 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.646 124.8 40.8 -99.8 -16.7 -13.3 -10.6 26.7 12 93 A L H >< S+ 0 0 5 -4,-1.9 3,-2.3 1,-0.1 4,-0.4 0.528 83.2 95.1-107.6 -8.9 -10.7 -8.9 24.6 13 94 A S G >X + 0 0 57 -4,-1.9 3,-0.7 1,-0.3 4,-0.6 0.666 68.6 76.6 -63.8 -17.1 -8.5 -7.3 27.2 14 95 A G G 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.735 92.9 55.8 -60.2 -23.2 -6.1 -10.2 27.0 15 96 A E G X4 S+ 0 0 29 -3,-2.3 3,-1.6 1,-0.2 6,-0.4 0.806 89.8 75.8 -74.4 -31.1 -4.9 -8.6 23.8 16 97 A F T <4 S+ 0 0 54 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.772 94.7 45.0 -61.4 -36.8 -4.0 -5.3 25.3 17 98 A G T 3< S+ 0 0 61 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 0.489 87.4 112.8 -85.8 -4.3 -0.8 -6.2 27.1 18 99 A K S X> S- 0 0 84 -3,-1.6 4,-1.8 -4,-0.1 3,-0.8 -0.403 78.5-117.2 -71.2 144.4 0.6 -8.1 24.1 19 100 A P H 3> S+ 0 0 111 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.869 113.0 53.5 -48.9 -44.5 3.7 -6.6 22.3 20 101 A Y H 3> S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.854 109.3 49.9 -60.3 -35.4 1.8 -6.0 19.0 21 102 A F H <> S+ 0 0 15 -3,-0.8 4,-2.6 -6,-0.4 -1,-0.2 0.920 109.9 46.6 -74.7 -46.8 -1.0 -4.1 20.7 22 103 A I H X S+ 0 0 107 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.927 114.5 50.6 -56.4 -46.2 1.2 -1.7 22.7 23 104 A K H X S+ 0 0 143 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.899 109.8 50.0 -58.5 -44.8 3.2 -1.1 19.5 24 105 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.917 108.1 52.4 -60.0 -46.0 -0.1 -0.5 17.6 25 106 A M H X S+ 0 0 64 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.916 111.4 47.6 -57.7 -43.3 -1.2 2.0 20.2 26 107 A G H X S+ 0 0 42 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.863 110.1 52.6 -64.9 -39.2 2.1 3.9 19.9 27 108 A F H X S+ 0 0 31 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.949 112.4 43.5 -62.2 -51.1 1.9 3.9 16.1 28 109 A V H X S+ 0 0 14 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.909 112.9 52.8 -61.4 -44.1 -1.6 5.4 16.0 29 110 A A H X S+ 0 0 49 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.895 110.9 46.6 -60.6 -42.9 -0.7 8.0 18.7 30 111 A E H X S+ 0 0 99 -4,-2.2 4,-0.9 1,-0.2 3,-0.5 0.882 110.7 53.2 -65.8 -40.3 2.4 9.1 16.7 31 112 A E H >X S+ 0 0 17 -4,-2.3 4,-2.3 1,-0.2 3,-0.7 0.898 105.7 53.7 -59.7 -41.6 0.3 9.3 13.5 32 113 A R H 3< S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.711 103.0 58.4 -69.0 -21.6 -2.3 11.5 15.3 33 114 A K H 3< S+ 0 0 160 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.785 120.8 24.5 -76.1 -27.2 0.5 14.0 16.3 34 115 A H H << S+ 0 0 123 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.578 126.7 29.7-114.7 -16.4 1.6 14.6 12.7 35 116 A Y S < S- 0 0 111 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.1 -0.898 81.2 -98.9-138.1 164.3 -1.6 13.8 10.6 36 117 A T - 0 0 86 -2,-0.3 94,-3.0 94,-0.1 2,-0.4 -0.807 44.4-164.3 -81.9 127.6 -5.4 13.8 10.7 37 118 A V E -A 129 0A 6 -2,-0.5 92,-0.2 92,-0.2 30,-0.0 -0.962 15.6-107.2-121.0 132.1 -6.4 10.2 11.5 38 119 A Y E S+A 128 0A 36 90,-3.2 90,-2.0 -2,-0.4 35,-0.1 -0.833 89.5 29.4-109.0 146.5 -9.9 8.8 11.0 39 120 A P S S- 0 0 1 0, 0.0 34,-0.1 0, 0.0 5,-0.1 0.751 94.5-111.9 -74.9 168.8 -12.1 8.0 12.8 40 121 A P >> - 0 0 42 0, 0.0 3,-2.5 0, 0.0 4,-0.6 -0.212 37.6 -97.9 -56.7 158.0 -11.5 10.4 15.8 41 122 A P G >4 S+ 0 0 68 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.852 123.1 55.4 -52.0 -42.8 -10.2 8.6 19.0 42 123 A H G 34 S+ 0 0 88 1,-0.2 -40,-0.0 2,-0.1 31,-0.0 0.567 111.7 45.4 -68.9 -7.6 -13.7 8.5 20.6 43 124 A Q G X4 S+ 0 0 24 -3,-2.5 3,-1.3 1,-0.1 -1,-0.2 0.418 81.4 94.5-115.8 -0.7 -15.1 6.7 17.5 44 125 A V T << S+ 0 0 6 -3,-1.2 3,-0.3 -4,-0.6 -2,-0.1 0.881 97.9 33.7 -55.9 -39.7 -12.4 4.1 16.9 45 126 A F T > S+ 0 0 4 -4,-0.4 3,-2.1 -42,-0.4 -40,-0.4 -0.083 73.1 127.9-112.4 33.7 -14.3 1.5 18.9 46 127 A T G X> + 0 0 17 -3,-1.3 3,-2.3 1,-0.3 4,-0.8 0.847 68.7 68.8 -56.2 -34.3 -18.0 2.4 18.1 47 128 A W G 34 S+ 0 0 5 27,-0.9 -1,-0.3 1,-0.3 4,-0.3 0.682 98.9 50.4 -58.5 -20.7 -18.5 -1.2 17.2 48 129 A T G <4 S+ 0 0 3 -3,-2.1 -40,-0.3 -45,-0.1 -1,-0.3 0.420 105.7 57.8 -91.9 -2.9 -18.1 -2.1 20.9 49 130 A Q T <4 S+ 0 0 61 -3,-2.3 -2,-0.2 -4,-0.2 -1,-0.1 0.623 92.0 64.2-101.8 -17.1 -20.6 0.6 22.0 50 131 A M S < S+ 0 0 40 -4,-0.8 2,-0.3 1,-0.2 -2,-0.1 0.733 111.1 0.3 -91.6 -27.4 -23.8 -0.4 20.2 51 132 A C S S- 0 0 23 -4,-0.3 -1,-0.2 66,-0.1 2,-0.1 -0.976 80.3 -89.0-154.1 160.9 -24.6 -3.8 21.7 52 133 A D > - 0 0 58 -2,-0.3 3,-1.9 64,-0.1 4,-0.3 -0.446 38.8-119.4 -67.0 145.3 -23.3 -6.3 24.3 53 134 A I G > S+ 0 0 5 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.855 115.1 57.9 -56.2 -35.6 -20.8 -8.8 22.9 54 135 A K G 3 S+ 0 0 158 1,-0.2 -1,-0.3 102,-0.0 -2,-0.0 0.618 100.8 58.7 -67.9 -14.8 -23.2 -11.6 23.9 55 136 A D G < S+ 0 0 85 -3,-1.9 -1,-0.2 64,-0.0 -2,-0.2 0.381 72.5 122.9-101.8 1.8 -25.9 -10.0 21.7 56 137 A V < + 0 0 6 -3,-1.2 63,-0.2 -4,-0.3 62,-0.1 -0.452 24.0 162.1 -62.6 132.2 -24.0 -10.1 18.4 57 138 A K + 0 0 50 61,-3.1 103,-2.0 1,-0.4 2,-0.3 0.612 61.9 31.8-120.6 -36.0 -26.1 -12.1 15.8 58 139 A V E -bc 119 160B 0 60,-2.0 62,-3.3 101,-0.2 2,-0.5 -0.966 63.2-157.5-131.5 142.9 -24.6 -11.1 12.4 59 140 A V E -bc 120 161B 0 101,-2.8 103,-3.1 -2,-0.3 2,-0.6 -0.972 4.9-172.2-128.2 117.5 -21.0 -10.1 11.5 60 141 A I E -bc 121 162B 1 60,-3.1 62,-1.0 -2,-0.5 2,-0.5 -0.940 16.3-152.2-107.7 116.8 -20.1 -8.0 8.4 61 142 A L E +bc 122 163B 2 101,-1.3 103,-0.6 -2,-0.6 62,-0.2 -0.784 17.6 176.2 -95.8 126.8 -16.4 -7.8 7.9 62 143 A G E -b 123 0B 5 60,-2.7 62,-1.3 -2,-0.5 14,-0.0 -0.527 22.0-141.2-112.4-174.5 -14.8 -4.8 6.2 63 144 A Q + 0 0 65 1,-0.4 62,-2.7 60,-0.3 -1,-0.2 0.728 69.8 10.5-111.8 -82.0 -11.2 -3.7 5.4 64 145 A D S S- 0 0 31 60,-0.2 -1,-0.4 59,-0.1 62,-0.1 -0.756 72.6-115.4-108.3 146.7 -10.3 -0.1 5.7 65 146 A P - 0 0 7 0, 0.0 69,-0.2 0, 0.0 -27,-0.1 -0.429 48.5 -82.8 -72.4 159.0 -12.3 2.8 7.3 66 147 A Y - 0 0 41 12,-0.2 6,-0.4 1,-0.1 62,-0.1 -0.370 38.1-156.2 -55.7 141.2 -13.5 5.6 5.0 67 148 A H + 0 0 71 4,-0.1 64,-3.2 -3,-0.1 65,-0.2 0.309 57.6 98.3-110.1 6.1 -10.6 8.1 4.6 68 149 A G S >> S- 0 0 10 62,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.570 87.6 -76.4 -93.3 159.6 -12.6 11.3 3.7 69 150 A P T 34 S- 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.246 111.6 -1.3 -56.9 135.5 -13.5 14.1 6.1 70 151 A N T 34 S+ 0 0 132 2,-0.1 10,-0.3 1,-0.1 13,-0.2 0.464 106.9 102.4 69.5 5.2 -16.5 13.2 8.5 71 152 A Q T <4 + 0 0 49 -3,-1.6 9,-0.5 8,-0.1 2,-0.1 0.980 59.3 63.6 -85.9 -66.3 -17.0 9.8 7.0 72 153 A A < + 0 0 12 -4,-0.5 7,-0.1 -6,-0.4 -2,-0.1 -0.375 44.4 160.2 -66.6 132.6 -15.6 7.0 9.3 73 154 A H - 0 0 3 2,-0.4 -1,-0.1 5,-0.4 -27,-0.1 0.212 69.1 -81.0-137.2 19.1 -17.2 6.7 12.7 74 155 A G S S+ 0 0 12 1,-0.2 -27,-0.9 4,-0.1 2,-0.4 0.420 103.3 92.8 100.0 0.0 -16.2 3.1 13.8 75 156 A L S > S- 0 0 4 3,-0.2 3,-1.1 -29,-0.1 -2,-0.4 -0.997 82.6-108.0-121.8 131.0 -18.8 1.0 12.0 76 157 A C T 3 S- 0 0 0 45,-2.1 3,-0.1 -2,-0.4 46,-0.1 -0.272 96.9 -0.1 -60.5 137.3 -17.9 -0.4 8.6 77 158 A F T 3 S+ 0 0 23 1,-0.2 -1,-0.2 33,-0.0 2,-0.2 0.170 104.5 123.0 73.5 -15.9 -19.7 1.2 5.6 78 159 A S < - 0 0 0 -3,-1.1 -5,-0.4 43,-0.1 2,-0.4 -0.487 39.1-173.7 -85.0 144.4 -21.6 3.6 7.9 79 160 A V - 0 0 0 30,-2.4 30,-0.4 -2,-0.2 -7,-0.1 -0.995 22.8-126.0-134.0 131.6 -21.6 7.4 7.8 80 161 A Q > - 0 0 76 -9,-0.5 3,-1.9 -2,-0.4 29,-0.0 -0.344 50.9 -51.0 -72.0 153.1 -23.2 9.7 10.3 81 162 A R T 3 S+ 0 0 152 1,-0.3 -1,-0.1 27,-0.1 27,-0.1 -0.350 119.2 19.8 -56.8 143.9 -25.8 12.4 9.4 82 163 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.888 95.1 105.7 -99.2 24.6 -25.7 14.5 7.4 83 164 A V S < S- 0 0 27 -3,-1.9 26,-0.5 -13,-0.2 -4,-0.1 -0.394 74.2-115.6 -65.7 129.2 -22.9 12.9 5.4 84 165 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.421 34.6 -99.5 -64.6 139.7 -24.1 11.3 2.1 85 166 A P - 0 0 21 0, 0.0 -7,-0.1 0, 0.0 25,-0.0 -0.404 42.0-122.6 -54.3 126.5 -23.9 7.5 1.8 86 167 A P >> - 0 0 12 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.213 33.3 -92.1 -63.7 164.8 -20.8 6.7 -0.3 87 168 A P H 3> S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.850 126.2 55.0 -52.0 -40.4 -21.2 4.6 -3.5 88 169 A S H 3> S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.890 111.1 45.2 -58.3 -42.2 -20.6 1.3 -1.6 89 170 A L H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.860 108.2 55.2 -74.0 -37.2 -23.4 2.1 0.8 90 171 A E H X S+ 0 0 75 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.902 109.3 50.3 -58.9 -38.2 -25.8 3.2 -1.9 91 172 A N H X S+ 0 0 29 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.901 107.7 51.3 -66.1 -43.2 -25.1 -0.2 -3.4 92 173 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.937 112.9 46.7 -54.5 -49.8 -25.9 -2.0 -0.1 93 174 A Y H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.858 110.2 53.4 -61.0 -38.8 -29.2 -0.0 0.1 94 175 A K H X S+ 0 0 118 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.927 109.8 46.7 -63.4 -46.4 -30.0 -0.8 -3.6 95 176 A E H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 3,-0.3 0.910 110.8 53.5 -61.1 -43.5 -29.5 -4.6 -3.0 96 177 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 7,-0.3 0.914 104.8 55.1 -55.1 -45.4 -31.7 -4.3 0.2 97 178 A S H < S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.826 116.8 35.4 -61.3 -35.0 -34.5 -2.6 -1.8 98 179 A T H < S+ 0 0 85 -4,-1.4 -1,-0.2 -3,-0.3 3,-0.2 0.766 119.8 49.9 -88.6 -29.9 -34.7 -5.5 -4.3 99 180 A D H < S+ 0 0 6 -4,-2.8 2,-0.7 1,-0.3 -2,-0.2 0.931 116.8 38.8 -71.9 -48.6 -33.9 -8.2 -1.8 100 181 A I S >< S- 0 0 41 -4,-3.3 3,-2.2 -5,-0.2 -1,-0.3 -0.894 71.4-153.6-116.3 103.2 -36.5 -7.1 0.8 101 182 A E T 3 S+ 0 0 169 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.0 0.783 94.9 40.5 -29.0 -51.4 -39.8 -5.9 -0.6 102 183 A D T 3 S+ 0 0 101 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.379 80.6 125.3 -97.8 2.1 -40.6 -3.6 2.4 103 184 A F < - 0 0 17 -3,-2.2 2,-0.4 -7,-0.3 118,-0.0 -0.432 45.5-156.6 -61.0 130.5 -37.1 -2.2 3.0 104 185 A V - 0 0 88 -2,-0.2 -2,-0.1 2,-0.0 -1,-0.0 -0.940 19.3-118.2-112.2 135.5 -37.2 1.6 3.0 105 186 A H - 0 0 90 -2,-0.4 116,-0.1 1,-0.1 -11,-0.0 -0.541 20.8-147.1 -65.8 127.6 -34.2 3.9 2.3 106 187 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.621 28.1-121.3 -80.4 -10.4 -33.6 5.9 5.5 107 188 A G S S+ 0 0 67 1,-0.3 2,-0.3 2,-0.0 -2,-0.1 0.604 87.7 64.7 79.3 13.0 -32.3 9.0 3.7 108 189 A H S S- 0 0 12 2,-0.1 -1,-0.3 -24,-0.1 -28,-0.1 -0.927 79.6-125.0-152.8 174.1 -29.0 8.8 5.6 109 190 A G + 0 0 0 -26,-0.5 -30,-2.4 -30,-0.4 2,-0.7 0.182 61.3 126.2-113.6 15.9 -26.0 6.5 5.9 110 191 A D > - 0 0 20 -32,-0.2 3,-0.5 1,-0.1 -30,-0.1 -0.681 33.9-175.1 -83.4 114.0 -25.9 5.8 9.6 111 192 A L T >> + 0 0 1 -2,-0.7 4,-1.9 1,-0.2 3,-1.2 0.177 51.5 112.8 -96.2 16.6 -26.0 2.0 10.3 112 193 A S H 3> S+ 0 0 18 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.841 70.2 64.9 -54.5 -35.9 -26.2 2.4 14.1 113 194 A G H <4 S+ 0 0 10 -3,-0.5 4,-0.5 1,-0.2 -1,-0.3 0.824 105.3 43.3 -58.1 -34.5 -29.7 0.9 13.9 114 195 A W H X4>S+ 0 0 2 -3,-1.2 5,-1.9 2,-0.2 3,-0.9 0.913 110.8 54.4 -74.2 -47.0 -28.2 -2.4 12.7 115 196 A A H ><5S+ 0 0 4 -4,-1.9 3,-1.6 1,-0.3 -2,-0.2 0.887 104.9 54.2 -54.5 -42.7 -25.4 -2.3 15.2 116 197 A K T 3<5S+ 0 0 140 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.761 104.1 56.6 -63.0 -27.0 -27.9 -1.9 18.1 117 198 A Q T < 5S- 0 0 35 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.391 132.1 -91.4 -83.9 1.2 -29.7 -5.1 16.8 118 199 A G T < 5S+ 0 0 0 -3,-1.6 -61,-3.1 1,-0.3 -60,-2.0 0.696 78.9 143.6 93.4 21.6 -26.5 -7.1 17.1 119 200 A V E < -b 58 0B 1 -5,-1.9 2,-0.5 -62,-0.2 -1,-0.3 -0.839 42.4-147.2 -91.2 104.0 -25.1 -6.5 13.6 120 201 A L E -b 59 0B 3 -62,-3.3 -60,-3.1 -2,-0.9 2,-0.8 -0.612 11.0-166.3 -74.5 120.3 -21.3 -6.3 14.2 121 202 A L E +b 60 0B 2 -2,-0.5 -45,-2.1 -62,-0.2 2,-0.6 -0.648 20.9 172.9-109.2 74.8 -19.9 -3.9 11.6 122 203 A L E -b 61 0B 1 -62,-1.0 -60,-2.7 -2,-0.8 2,-0.3 -0.761 22.0-159.8 -98.8 116.4 -16.2 -4.6 12.0 123 204 A N E -b 62 0B 15 -2,-0.6 -60,-0.3 -62,-0.2 -59,-0.1 -0.653 20.1-136.4 -78.8 145.5 -13.4 -3.3 9.8 124 205 A A S S+ 0 0 0 -62,-1.3 2,-0.5 -2,-0.3 21,-0.4 0.848 98.2 43.3 -70.5 -36.5 -10.1 -5.3 9.9 125 206 A V S S- 0 0 1 -62,-2.7 -1,-0.2 1,-0.1 12,-0.1 -0.962 72.8-165.9-112.9 127.3 -8.1 -2.0 10.1 126 207 A L + 0 0 7 -2,-0.5 2,-0.3 10,-0.1 -1,-0.1 0.503 64.4 41.4-100.1 -6.2 -9.6 0.5 12.6 127 208 A T - 0 0 0 9,-0.1 9,-0.3 -62,-0.1 2,-0.3 -0.959 56.1-177.7-137.8 159.7 -7.7 3.7 11.7 128 209 A V E -A 38 0A 0 -90,-2.0 -90,-3.2 -2,-0.3 2,-0.3 -0.979 31.7-112.4-154.7 140.1 -6.6 5.5 8.5 129 210 A R E > -A 37 0A 51 3,-0.5 3,-2.1 -2,-0.3 -92,-0.2 -0.597 56.1 -86.6 -71.0 135.9 -4.6 8.6 7.7 130 211 A A T 3 S- 0 0 16 -94,-3.0 -62,-0.2 -2,-0.3 -1,-0.1 -0.125 107.9 -1.1 -45.9 132.4 -6.9 11.3 6.0 131 212 A H T 3 S+ 0 0 130 -64,-3.2 2,-0.5 1,-0.1 -1,-0.3 0.501 109.4 104.4 66.0 7.3 -7.1 10.9 2.2 132 213 A Q X - 0 0 95 -3,-2.1 3,-1.7 -65,-0.2 -3,-0.5 -0.783 62.4-148.0-127.6 89.0 -4.8 7.9 2.2 133 214 A A T 3 S+ 0 0 53 -2,-0.5 -67,-0.1 1,-0.3 -5,-0.0 -0.215 81.8 4.2 -54.2 136.4 -6.4 4.5 1.7 134 215 A N T > S+ 0 0 70 -69,-0.2 3,-1.4 1,-0.1 -1,-0.3 0.602 84.3 137.3 63.3 16.7 -4.7 1.6 3.5 135 216 A S T < S+ 0 0 25 -3,-1.7 -2,-0.1 1,-0.3 -7,-0.1 0.750 75.4 41.9 -63.3 -26.2 -2.1 3.9 5.2 136 217 A H T > S+ 0 0 0 -9,-0.3 3,-0.8 -4,-0.2 5,-0.4 0.173 86.6 136.9-107.2 17.0 -2.5 2.1 8.5 137 218 A K T < + 0 0 101 -3,-1.4 -12,-0.0 1,-0.2 -73,-0.0 -0.340 69.8 7.6 -65.5 141.9 -2.5 -1.4 7.0 138 219 A E T 3 S+ 0 0 139 1,-0.1 -1,-0.2 -2,-0.1 -13,-0.0 0.852 90.2 118.3 53.0 44.7 -0.4 -4.2 8.7 139 220 A R S < S- 0 0 115 -3,-0.8 -112,-0.2 -115,-0.0 -2,-0.1 0.311 99.1 -71.6-115.6 1.9 0.5 -2.1 11.7 140 221 A G S > S+ 0 0 13 -4,-0.1 4,-1.5 -116,-0.1 3,-0.3 0.050 109.7 99.7 131.9 -27.0 -1.2 -4.3 14.3 141 222 A W H > S+ 0 0 3 -5,-0.4 4,-3.1 1,-0.2 5,-0.3 0.860 79.4 59.5 -57.5 -41.3 -5.0 -3.8 13.8 142 223 A E H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 104.9 49.2 -57.0 -44.1 -5.3 -7.1 11.7 143 224 A Q H > S+ 0 0 99 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.893 113.9 46.6 -63.2 -39.4 -4.0 -9.2 14.7 144 225 A F H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.939 113.7 45.3 -68.6 -47.9 -6.5 -7.5 17.0 145 226 A T H X S+ 0 0 0 -4,-3.1 4,-2.3 -21,-0.4 -2,-0.2 0.803 108.8 58.2 -68.8 -28.5 -9.5 -7.7 14.8 146 227 A D H X S+ 0 0 76 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.879 104.1 52.6 -60.0 -41.1 -8.6 -11.4 14.1 147 228 A A H X S+ 0 0 20 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.866 107.4 51.4 -63.5 -37.5 -8.8 -11.9 17.9 148 229 A V H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.950 113.0 44.7 -61.2 -50.2 -12.3 -10.4 17.8 149 230 A V H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.896 113.3 51.0 -61.1 -42.7 -13.3 -12.8 15.0 150 231 A S H X S+ 0 0 64 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.884 108.4 52.2 -63.2 -40.7 -11.7 -15.7 16.8 151 232 A W H X S+ 0 0 50 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.936 111.5 45.3 -61.4 -48.8 -13.5 -14.9 20.1 152 233 A L H X S+ 0 0 1 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.875 111.3 53.8 -63.3 -40.6 -16.9 -14.9 18.4 153 234 A N H < S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.913 118.2 35.1 -56.2 -45.6 -16.2 -18.1 16.5 154 235 A Q H < S+ 0 0 141 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.728 123.9 39.8 -83.8 -25.3 -15.2 -19.9 19.7 155 236 A N H < S+ 0 0 93 -4,-2.1 2,-0.3 -5,-0.2 -2,-0.2 0.298 110.5 45.2-120.0 6.2 -17.7 -18.4 22.2 156 237 A S < - 0 0 29 -4,-1.1 2,-0.3 -3,-0.1 3,-0.1 -0.892 66.6-140.5-138.1 170.9 -21.0 -18.0 20.4 157 238 A N + 0 0 109 -2,-0.3 23,-0.2 1,-0.1 22,-0.1 -0.988 69.3 16.3-137.7 147.6 -23.1 -20.2 18.0 158 239 A G S S+ 0 0 6 21,-3.1 22,-0.2 -2,-0.3 55,-0.1 0.728 73.5 161.1 68.0 25.7 -25.2 -19.7 14.9 159 240 A L - 0 0 0 20,-0.3 22,-3.1 -7,-0.1 2,-0.6 -0.421 38.4-130.3 -66.9 150.7 -23.8 -16.3 13.9 160 241 A V E -cd 58 181B 0 -103,-2.0 -101,-2.8 20,-0.2 2,-0.5 -0.945 21.0-162.1-103.8 113.1 -24.3 -15.2 10.3 161 242 A F E -cd 59 182B 0 20,-3.3 22,-3.0 -2,-0.6 2,-0.6 -0.863 0.9-160.5 -94.2 128.0 -21.0 -14.1 8.9 162 243 A L E -cd 60 183B 0 -103,-3.1 -101,-1.3 -2,-0.5 2,-0.7 -0.935 7.2-170.8-112.0 110.4 -21.3 -11.9 5.7 163 244 A L E -cd 61 184B 0 20,-2.9 22,-1.9 -2,-0.6 2,-0.7 -0.864 2.9-175.8-111.5 103.1 -18.1 -11.8 3.8 164 245 A W E + d 0 185B 4 -2,-0.7 4,-0.4 -103,-0.6 22,-0.2 -0.870 55.6 1.2-106.1 112.3 -18.1 -9.3 0.9 165 246 A G S > S- 0 0 12 20,-2.7 4,-2.0 -2,-0.7 3,-0.2 -0.011 92.4 -76.3 93.2 159.4 -15.0 -9.3 -1.3 166 247 A S H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.786 125.9 57.2 -65.0 -30.2 -11.8 -11.5 -1.2 167 248 A Y H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 110.5 42.4 -66.3 -46.6 -10.3 -9.6 1.8 168 249 A A H > S+ 0 0 3 -4,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.862 112.4 55.3 -66.5 -38.4 -13.3 -10.3 4.0 169 250 A Q H < S+ 0 0 52 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.890 109.1 47.2 -62.5 -41.0 -13.5 -13.9 2.7 170 251 A K H >< S+ 0 0 168 -4,-2.0 3,-1.6 1,-0.2 4,-0.3 0.925 110.9 50.9 -64.2 -46.0 -9.8 -14.4 3.7 171 252 A K H 3< S+ 0 0 25 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.783 116.4 42.1 -65.0 -26.9 -10.4 -12.9 7.2 172 253 A G T >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 -1,-0.3 0.180 83.7 107.5-100.2 16.6 -13.4 -15.2 7.7 173 254 A S T < S+ 0 0 78 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.762 77.4 48.5 -70.6 -27.1 -11.7 -18.3 6.2 174 255 A A T 3 S+ 0 0 86 -3,-0.3 -1,-0.3 -4,-0.3 2,-0.2 0.256 78.5 128.7 -99.2 10.1 -11.2 -20.1 9.5 175 256 A I < - 0 0 7 -3,-1.2 2,-1.0 1,-0.1 -25,-0.1 -0.482 69.3-114.2 -65.1 133.9 -14.7 -19.6 10.8 176 257 A D >> - 0 0 52 -2,-0.2 4,-2.0 1,-0.2 3,-1.1 -0.611 28.7-169.4 -71.9 100.4 -16.2 -23.0 11.9 177 258 A R T 34 S+ 0 0 119 -2,-1.0 -1,-0.2 1,-0.3 5,-0.1 0.437 83.1 64.3 -80.3 5.1 -19.1 -23.5 9.3 178 259 A K T 34 S+ 0 0 200 3,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.713 116.9 28.3 -83.6 -26.3 -20.4 -26.4 11.4 179 260 A R T <4 S+ 0 0 95 -3,-1.1 -21,-3.1 1,-0.1 2,-0.3 0.612 126.2 38.9-110.9 -18.4 -21.2 -23.9 14.2 180 261 A H S < S- 0 0 5 -4,-2.0 2,-0.4 -22,-0.2 -20,-0.2 -0.939 76.0-117.7-132.1 156.4 -21.7 -20.7 12.3 181 262 A H E -d 160 0B 46 -22,-3.1 -20,-3.3 -2,-0.3 2,-0.4 -0.756 27.4-166.4 -91.2 137.7 -23.4 -19.6 9.0 182 263 A V E -d 161 0B 32 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.978 6.7-173.5-129.6 120.1 -21.2 -18.0 6.3 183 264 A L E -d 162 0B 31 -22,-3.0 -20,-2.9 -2,-0.4 2,-0.4 -0.926 10.5-166.8-107.9 137.2 -22.5 -16.2 3.3 184 265 A Q E +d 163 0B 99 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.975 19.7 135.7-127.7 138.6 -20.0 -15.0 0.6 185 266 A T E -d 164 0B 20 -22,-1.9 -20,-2.7 -2,-0.4 -16,-0.1 -0.918 52.3 -62.7-157.5-175.0 -20.3 -12.6 -2.4 186 267 A A - 0 0 19 -2,-0.3 10,-0.1 -22,-0.2 14,-0.1 -0.342 61.6 -88.0 -73.7 158.6 -18.5 -9.8 -4.2 187 268 A H - 0 0 52 -23,-0.2 10,-0.3 1,-0.1 8,-0.2 -0.401 31.6-127.3 -64.3 139.6 -17.7 -6.4 -2.6 188 269 A P S S+ 0 0 0 0, 0.0 -97,-0.2 0, 0.0 -1,-0.1 0.477 70.7 119.6 -71.4 -1.0 -20.4 -3.8 -2.9 189 270 A S S >> S- 0 0 29 1,-0.1 4,-2.4 -98,-0.1 3,-2.0 -0.326 81.0-110.0 -60.6 146.2 -18.1 -1.2 -4.4 190 271 A P T 34 S+ 0 0 80 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.819 117.1 59.7 -46.1 -36.9 -19.1 0.0 -7.9 191 272 A L T 34 S+ 0 0 157 1,-0.2 -2,-0.0 2,-0.1 -4,-0.0 0.722 123.3 18.1 -67.3 -22.8 -16.0 -1.8 -9.4 192 273 A S T X4>S+ 0 0 18 -3,-2.0 3,-2.3 -5,-0.2 5,-0.5 0.513 93.2 100.3-125.0 -10.4 -17.2 -5.2 -8.1 193 274 A V G ><>S+ 0 0 4 -4,-2.4 5,-2.4 1,-0.3 3,-0.6 0.792 84.9 49.9 -54.6 -36.3 -20.9 -5.0 -7.3 194 275 A Y G 3 5S+ 0 0 193 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.418 92.7 77.1 -86.7 2.1 -22.1 -6.6 -10.5 195 276 A R G < 5S- 0 0 194 -3,-2.3 -1,-0.2 -8,-0.2 -2,-0.1 0.032 131.9 -46.4 -97.2 24.9 -19.7 -9.6 -10.1 196 277 A G T < 5S+ 0 0 30 -3,-0.6 -2,-0.2 2,-0.2 -3,-0.1 0.005 118.1 89.0 146.6 -35.9 -22.0 -11.1 -7.4 197 278 A F T > + 0 0 124 -4,-0.4 4,-2.2 1,-0.1 3,-0.2 0.784 29.3 154.8 55.3 35.9 -29.8 -11.4 -1.3 202 283 A H H > + 0 0 5 -5,-0.2 4,-2.0 1,-0.2 5,-0.1 0.744 63.2 61.2 -63.2 -26.1 -27.7 -11.8 1.8 203 284 A F H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.926 110.4 36.2 -74.4 -45.5 -30.2 -9.8 3.9 204 285 A S H > S+ 0 0 34 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.910 118.5 53.0 -67.6 -44.3 -33.2 -12.0 3.5 205 286 A K H X S+ 0 0 98 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.847 105.2 55.8 -58.9 -37.3 -31.0 -15.1 3.5 206 287 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.924 106.2 49.7 -60.8 -46.8 -29.5 -13.9 6.8 207 288 A N H X S+ 0 0 28 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.843 109.8 50.9 -64.9 -35.7 -32.9 -13.7 8.5 208 289 A E H X S+ 0 0 111 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.922 111.5 47.6 -64.2 -46.5 -33.8 -17.2 7.3 209 290 A L H X S+ 0 0 36 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.879 107.9 56.2 -62.0 -38.6 -30.5 -18.6 8.8 210 291 A L H <>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 -1,-0.2 0.869 103.8 53.6 -62.0 -39.2 -31.2 -16.7 12.0 211 292 A Q H ><5S+ 0 0 114 -4,-1.6 3,-1.8 3,-0.2 -1,-0.2 0.909 106.2 52.6 -58.6 -43.5 -34.5 -18.4 12.4 212 293 A K H 3<5S+ 0 0 167 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.754 106.6 53.2 -64.6 -26.8 -32.7 -21.8 12.0 213 294 A S T 3<5S- 0 0 28 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.403 121.7-113.4 -83.1 -1.0 -30.4 -20.6 14.8 214 295 A G T < 5S+ 0 0 71 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.808 75.3 130.1 70.6 32.3 -33.6 -20.0 16.9 215 296 A K < - 0 0 53 -5,-3.0 -1,-0.3 -6,-0.1 -2,-0.2 -0.868 64.7-103.8-119.7 150.9 -32.9 -16.2 16.9 216 297 A K - 0 0 167 -2,-0.3 -1,-0.0 1,-0.1 -3,-0.0 -0.417 47.0-107.8 -69.4 145.4 -35.2 -13.3 16.0 217 298 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.269 28.2-102.8 -77.4 162.1 -34.4 -11.7 12.6 218 299 A I - 0 0 4 -15,-0.2 2,-1.0 -100,-0.0 3,-0.1 -0.670 22.5-138.8 -77.4 133.1 -32.8 -8.4 11.9 219 300 A D > - 0 0 60 -2,-0.4 3,-1.6 1,-0.2 -102,-0.1 -0.839 18.9-170.3 -89.1 98.3 -35.1 -5.6 10.9 220 301 A W T 3 S+ 0 0 5 -2,-1.0 -1,-0.2 1,-0.3 -106,-0.1 0.724 81.9 57.2 -66.6 -22.0 -32.9 -4.1 8.1 221 302 A K T 3 S+ 0 0 85 1,-0.1 2,-2.0 -3,-0.1 -1,-0.3 0.557 76.9 101.7 -85.4 -8.0 -35.2 -1.0 7.8 222 303 A E < 0 0 104 -3,-1.6 -105,-0.1 -109,-0.1 -1,-0.1 -0.551 360.0 360.0 -77.5 81.7 -34.7 -0.2 11.5 223 304 A L 0 0 54 -2,-2.0 -112,-0.1 -110,-0.1 -2,-0.0 -0.917 360.0 360.0-133.6 360.0 -32.2 2.6 10.9