==== 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 TRANSFERASE/DNA 15-JUL-09 3IAY . COMPND 2 MOLECULE: 5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*(DOC))-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.K.SWAN,A.K.AGGARWAL . 885 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 635 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 15.7 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 2 0.2 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 . 79 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 0 1 3 2 2 2 0 2 3 1 0 3 2 0 0 0 0 1 0 0 1 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 PARALLEL BRIDGES PER LADDER . 8 2 5 3 3 4 0 1 2 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 . 4 0 1 1 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 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 95 A S 0 0 33 0, 0.0 261,-0.1 0, 0.0 263,-0.0 0.000 360.0 360.0 360.0-111.7 29.9 25.0 2.1 2 96 A S - 0 0 31 296,-0.1 260,-0.1 297,-0.1 0, 0.0 0.435 360.0-177.6 148.5 16.4 31.0 21.4 2.0 3 97 A F - 0 0 53 258,-0.1 2,-0.2 1,-0.1 258,-0.0 0.041 21.7-134.0 -35.7 141.2 34.3 21.0 4.0 4 98 A E - 0 0 120 1,-0.2 295,-0.1 296,-0.0 3,-0.1 -0.504 28.6 -76.5-101.6 171.0 35.6 17.5 3.8 5 99 A R - 0 0 20 293,-0.4 -1,-0.2 -2,-0.2 48,-0.1 -0.192 61.6 -79.6 -66.7 156.4 37.0 15.3 6.6 6 100 A K - 0 0 120 46,-0.3 -1,-0.2 45,-0.2 45,-0.0 -0.298 57.6-103.6 -53.3 135.7 40.5 15.8 8.0 7 101 A K - 0 0 78 -3,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.315 36.6-109.0 -63.7 145.3 43.1 14.2 5.7 8 102 A L - 0 0 50 1,-0.2 -1,-0.1 -3,-0.1 4,-0.0 -0.314 48.1 -79.5 -66.8 157.5 44.6 10.9 6.7 9 103 A P > - 0 0 47 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 -0.318 40.2-126.4 -55.0 142.3 48.2 10.8 7.9 10 104 A T T 3 S+ 0 0 152 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.798 108.2 48.0 -65.5 -29.4 50.5 10.9 4.9 11 105 A D T 3 S+ 0 0 95 2,-0.0 -1,-0.3 5,-0.0 5,-0.1 0.168 80.5 153.6 -97.2 20.2 52.4 7.8 6.0 12 106 A F < + 0 0 42 -3,-1.5 3,-0.0 4,-0.1 -4,-0.0 -0.183 9.1 152.8 -58.4 139.1 49.2 5.8 6.7 13 107 A D >> - 0 0 66 1,-0.1 3,-2.1 171,-0.0 4,-1.7 -0.925 52.4-120.5-167.1 136.9 49.7 2.0 6.4 14 108 A P T 34 S+ 0 0 27 0, 0.0 167,-2.4 0, 0.0 168,-0.3 0.746 112.6 56.5 -57.2 -25.2 48.0 -1.0 8.0 15 109 A S T 34 S+ 0 0 73 165,-0.2 165,-0.1 1,-0.2 3,-0.1 0.625 114.5 38.6 -80.6 -9.9 51.3 -2.2 9.6 16 110 A L T <4 S+ 0 0 80 -3,-2.1 2,-0.4 1,-0.2 -1,-0.2 0.745 108.6 56.7-108.1 -32.2 51.8 1.2 11.4 17 111 A Y < - 0 0 72 -4,-1.7 164,-0.2 162,-0.1 2,-0.2 -0.905 59.7-147.5-119.9 127.7 48.4 2.4 12.6 18 112 A D - 0 0 84 -2,-0.4 2,-0.5 162,-0.1 -3,-0.0 -0.558 21.7-142.4 -71.3 154.0 45.8 0.9 14.8 19 113 A I E +A 178 0A 4 159,-2.3 159,-3.2 -2,-0.2 2,-0.5 -0.966 21.6 178.0-119.4 114.1 42.3 2.0 13.8 20 114 A S E +A 177 0A 32 -2,-0.5 30,-0.6 157,-0.3 2,-0.3 -0.974 14.4 162.2-112.6 125.2 39.9 2.7 16.7 21 115 A F E -AB 176 49A 0 155,-2.4 155,-2.4 -2,-0.5 2,-0.7 -0.982 43.3-117.1-143.0 149.0 36.5 3.9 15.7 22 116 A Q E -AB 175 48A 0 26,-3.0 26,-1.7 -2,-0.3 2,-0.4 -0.828 34.9-142.2 -84.8 118.5 33.0 4.2 17.1 23 117 A Q E + B 0 47A 3 151,-3.0 151,-0.4 -2,-0.7 150,-0.4 -0.702 24.4 176.1 -84.9 131.0 30.9 1.9 15.0 24 118 A I E + 0 0 1 22,-2.7 426,-0.3 -2,-0.4 425,-0.3 0.597 63.3 6.2-110.4 -20.4 27.4 3.4 14.4 25 119 A D E - B 0 46A 28 21,-1.3 21,-2.8 424,-0.1 -1,-0.3 -0.989 56.8-168.0-159.4 161.6 25.8 0.9 12.0 26 120 A A E - B 0 45A 13 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.990 5.3-177.8-150.7 149.7 26.5 -2.4 10.5 27 121 A E E - B 0 44A 46 17,-1.8 17,-3.2 -2,-0.3 2,-0.2 -0.995 31.9-103.8-151.5 150.1 25.0 -4.5 7.7 28 122 A Q E + B 0 43A 87 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.477 49.7 155.5 -68.2 138.1 25.4 -7.9 6.1 29 123 A S E - B 0 42A 33 13,-2.4 13,-3.4 -2,-0.2 2,-0.5 -0.980 42.3-109.3-156.8 168.7 27.1 -7.8 2.7 30 124 A V E - B 0 41A 88 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.900 30.5-141.2-106.8 130.7 29.1 -10.0 0.3 31 125 A L - 0 0 26 9,-3.3 2,-0.2 -2,-0.5 -2,-0.0 -0.779 13.1-129.0 -96.4 126.8 32.8 -9.1 -0.2 32 126 A N S S+ 0 0 145 -2,-0.5 2,-0.1 158,-0.2 158,-0.0 -0.493 72.5 24.2 -66.9 138.8 34.4 -9.3 -3.6 33 127 A G S S+ 0 0 55 -2,-0.2 -2,-0.1 0, 0.0 157,-0.0 -0.463 102.1 13.6 103.5-175.9 37.6 -11.3 -3.7 34 128 A I S S- 0 0 96 -2,-0.1 2,-0.2 1,-0.1 -3,-0.1 0.163 70.2-122.5 -33.4 143.1 39.2 -14.1 -1.5 35 129 A K - 0 0 127 25,-0.1 2,-0.4 26,-0.0 5,-0.2 -0.489 15.6-143.3 -81.2 160.8 37.0 -15.9 1.0 36 130 A D B > S-G 39 0B 47 3,-2.6 3,-1.1 -2,-0.2 25,-0.3 -0.993 80.2 -11.1-129.9 126.8 37.8 -16.1 4.8 37 131 A E T 3 S- 0 0 55 -2,-0.4 -1,-0.1 1,-0.2 26,-0.1 0.901 130.8 -56.8 49.8 40.9 37.1 -19.3 6.8 38 132 A N T 3 S+ 0 0 81 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.734 118.6 99.3 67.1 26.0 35.2 -20.5 3.7 39 133 A T B < -G 36 0B 4 -3,-1.1 -3,-2.6 1,-0.1 22,-0.4 -0.998 49.3-167.7-141.2 143.6 32.7 -17.6 3.5 40 134 A S + 0 0 30 85,-0.5 -9,-3.3 -2,-0.3 2,-0.3 0.316 63.9 102.6-104.2 3.4 32.6 -14.4 1.4 41 135 A T E +B 30 0A 3 84,-0.5 21,-0.4 -11,-0.2 20,-0.3 -0.690 49.1 176.2 -91.8 141.9 29.9 -12.8 3.5 42 136 A V E -B 29 0A 2 -13,-3.4 -13,-2.4 -2,-0.3 2,-0.5 -0.828 35.3-119.0-132.6 167.3 30.8 -10.1 5.9 43 137 A V E -BC 28 59A 0 16,-1.5 16,-2.8 -2,-0.3 2,-0.7 -0.988 31.1-149.2-104.8 122.2 29.3 -7.6 8.4 44 138 A R E -BC 27 58A 12 -17,-3.2 -17,-1.8 -2,-0.5 2,-0.4 -0.853 12.7-165.3 -92.7 116.2 30.3 -4.2 7.2 45 139 A F E -BC 26 57A 0 12,-2.7 12,-2.8 -2,-0.7 2,-0.4 -0.847 1.5-162.9 -99.2 137.0 30.6 -1.8 10.1 46 140 A F E +BC 25 56A 2 -21,-2.8 -22,-2.7 -2,-0.4 -21,-1.3 -0.918 27.9 113.4-116.6 147.8 30.7 2.0 9.5 47 141 A G E -BC 23 55A 0 8,-1.9 8,-2.5 -2,-0.4 2,-0.4 -0.961 48.9 -82.7 179.5-158.2 31.9 4.6 11.9 48 142 A V E -BC 22 54A 0 -26,-1.7 -26,-3.0 -2,-0.3 6,-0.2 -0.987 23.9-133.1-142.5 137.7 34.3 7.3 13.0 49 143 A T E > -B 21 0A 5 4,-2.2 3,-1.8 -2,-0.4 -28,-0.2 -0.304 39.7-100.4 -82.1 169.9 37.7 7.6 14.7 50 144 A S T 3 S+ 0 0 73 -30,-0.6 -1,-0.1 1,-0.3 -29,-0.1 0.808 125.2 53.6 -63.5 -25.4 38.5 10.0 17.5 51 145 A E T 3 S- 0 0 98 2,-0.1 -1,-0.3 168,-0.1 -45,-0.2 0.400 125.2-100.6 -86.8 0.6 40.2 12.3 14.9 52 146 A G S < S+ 0 0 13 -3,-1.8 2,-0.4 1,-0.3 -46,-0.3 0.757 70.6 146.3 87.8 26.3 37.1 12.4 12.7 53 147 A H - 0 0 8 -48,-0.1 -4,-2.2 142,-0.0 -1,-0.3 -0.816 44.7-128.0 -94.1 136.7 38.1 9.8 10.0 54 148 A S E -C 48 0A 0 -2,-0.4 143,-2.4 -6,-0.2 2,-0.4 -0.589 26.5-162.5 -86.1 145.3 35.3 7.7 8.4 55 149 A V E -Cd 47 197A 0 -8,-2.5 -8,-1.9 -2,-0.2 2,-0.5 -0.978 23.1-169.2-134.3 132.4 35.7 3.9 8.4 56 150 A L E -Cd 46 198A 0 141,-3.0 143,-2.7 -2,-0.4 2,-0.6 -0.997 21.0-174.2-110.6 118.3 34.2 1.0 6.5 57 151 A C E -Cd 45 199A 2 -12,-2.8 -12,-2.7 -2,-0.5 2,-0.6 -0.952 13.2-152.6-117.3 112.7 35.5 -2.1 8.3 58 152 A N E -Cd 44 200A 0 141,-2.9 143,-2.8 -2,-0.6 2,-0.8 -0.739 8.2-152.0 -80.2 119.2 34.6 -5.5 6.7 59 153 A V E -Cd 43 201A 1 -16,-2.8 -16,-1.5 -2,-0.6 3,-0.3 -0.839 25.5-172.6 -96.5 112.3 34.4 -8.2 9.4 60 154 A T E + d 0 202A 17 141,-3.0 143,-2.5 -2,-0.8 -18,-0.1 -0.489 48.0 38.1-104.4 166.6 35.3 -11.4 7.6 61 155 A G S S+ 0 0 1 -22,-0.4 2,-0.8 -20,-0.3 -1,-0.2 0.516 72.1 130.5 79.0 8.0 35.4 -15.1 8.3 62 156 A F - 0 0 9 -21,-0.4 2,-0.4 -3,-0.3 -1,-0.2 -0.832 40.2-162.3-102.0 102.1 32.2 -15.2 10.5 63 157 A K - 0 0 27 -2,-0.8 62,-0.1 -3,-0.1 -24,-0.0 -0.672 17.5-125.1 -82.0 132.3 29.9 -18.0 9.4 64 158 A N + 0 0 9 60,-0.4 60,-2.3 -2,-0.4 2,-0.3 -0.249 37.6 178.9 -63.2 160.5 26.3 -17.9 10.4 65 159 A Y E -H 123 0C 5 58,-0.2 2,-0.3 91,-0.1 58,-0.2 -0.984 23.0-148.0-155.9 165.7 25.0 -21.1 12.2 66 160 A L E -H 122 0C 0 56,-1.5 56,-2.8 -2,-0.3 2,-0.4 -0.957 17.7-132.7-131.7 159.6 22.1 -22.8 13.9 67 161 A Y E +HI 121 155C 5 88,-1.3 88,-2.3 -2,-0.3 54,-0.2 -0.928 23.0 172.6-109.6 136.3 22.0 -25.2 16.8 68 162 A V E -H 120 0C 0 52,-1.9 52,-3.4 -2,-0.4 86,-0.1 -0.959 42.4 -98.1-127.6 153.5 19.9 -28.4 16.9 69 163 A P E -H 119 0C 37 0, 0.0 50,-0.3 0, 0.0 3,-0.1 -0.484 46.6-103.2 -65.2 140.4 20.1 -31.1 19.6 70 164 A A - 0 0 24 48,-2.3 7,-0.1 -2,-0.1 6,-0.0 -0.374 49.1 -93.9 -60.4 142.9 22.4 -34.0 18.6 71 165 A P - 0 0 15 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 -0.227 24.1-123.4 -63.0 147.6 20.3 -37.1 17.6 72 166 A N S S+ 0 0 117 75,-0.2 2,-0.3 -3,-0.1 3,-0.0 -0.556 74.5 115.3 -86.0 70.9 19.4 -39.7 20.2 73 167 A S S > S- 0 0 46 -2,-1.6 3,-1.9 1,-0.1 4,-0.2 -0.991 74.8-122.3-148.4 143.7 21.0 -42.4 18.1 74 168 A S G > S+ 0 0 97 -2,-0.3 3,-0.6 1,-0.3 4,-0.1 0.788 111.9 52.8 -62.4 -30.2 24.0 -44.7 18.5 75 169 A D G > S+ 0 0 49 1,-0.2 3,-1.1 2,-0.1 -1,-0.3 0.396 79.4 101.1 -87.4 4.4 25.7 -43.5 15.3 76 170 A A G < S+ 0 0 15 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.734 83.8 44.9 -63.1 -23.6 25.4 -39.9 16.5 77 171 A N G < S+ 0 0 134 -3,-0.6 2,-0.7 -4,-0.2 -1,-0.3 0.528 82.7 110.6-101.0 -4.6 29.1 -39.8 17.6 78 172 A D X> - 0 0 75 -3,-1.1 4,-1.8 1,-0.2 3,-0.5 -0.594 57.0-156.6 -69.1 111.0 30.5 -41.5 14.5 79 173 A Q H 3> S+ 0 0 107 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.867 90.5 59.2 -59.7 -39.4 32.4 -38.8 12.7 80 174 A E H 3> S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 107.5 47.4 -55.8 -40.8 32.1 -40.5 9.3 81 175 A Q H <> S+ 0 0 45 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.861 109.4 51.6 -72.0 -38.0 28.4 -40.4 9.6 82 176 A I H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.903 110.0 51.4 -62.5 -41.2 28.3 -36.7 10.6 83 177 A N H X S+ 0 0 91 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.884 110.1 48.6 -61.0 -42.0 30.5 -36.1 7.5 84 178 A K H X S+ 0 0 103 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.869 108.5 53.5 -67.9 -35.1 28.0 -37.9 5.4 85 179 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.919 106.8 52.8 -65.9 -41.6 25.1 -36.0 6.9 86 180 A V H X S+ 0 0 19 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 108.9 49.4 -57.8 -41.4 26.9 -32.8 6.0 87 181 A H H X S+ 0 0 120 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.929 109.6 52.2 -61.9 -46.7 27.2 -34.1 2.4 88 182 A Y H < S+ 0 0 49 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.897 111.0 46.9 -54.5 -44.1 23.5 -34.9 2.5 89 183 A L H >X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-1.2 0.886 108.9 54.6 -68.8 -38.2 22.7 -31.3 3.6 90 184 A N H 3<>S+ 0 0 30 -4,-2.4 5,-2.4 1,-0.3 -2,-0.2 0.857 104.6 54.5 -63.7 -31.6 25.0 -29.8 1.0 91 185 A E T 3<5S+ 0 0 125 -4,-1.9 -1,-0.3 1,-0.2 3,-0.2 0.661 116.5 39.1 -66.3 -19.2 23.1 -31.7 -1.7 92 186 A T T <45S+ 0 0 72 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.714 115.8 46.1-109.0 -28.3 19.9 -30.1 -0.4 93 187 A F T ><5S- 0 0 14 -4,-2.4 3,-1.6 -5,-0.1 -1,-0.2 -0.378 116.7 -87.6-122.7 53.7 20.9 -26.6 0.4 94 188 A D T 3 5S- 0 0 104 1,-0.3 -3,-0.2 -3,-0.2 -4,-0.1 0.808 77.8 -70.2 52.8 37.0 23.0 -25.3 -2.6 95 189 A H T 3 S- 0 0 78 -30,-0.5 3,-1.6 -87,-0.1 4,-0.3 -0.979 82.5-132.8-136.0 135.3 26.1 -17.8 3.5 127 221 A P T > S+ 0 0 5 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.768 96.1 63.2 -55.8 -41.5 23.9 -16.6 6.3 128 222 A H T >> S+ 0 0 113 1,-0.3 3,-0.9 2,-0.2 4,-0.9 0.739 88.6 71.4 -59.8 -24.6 20.4 -16.7 4.6 129 223 A M H <> S+ 0 0 16 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.673 82.6 72.8 -67.5 -16.3 20.7 -20.5 4.2 130 224 A V H <> S+ 0 0 4 -3,-2.1 4,-3.2 -4,-0.3 -1,-0.2 0.922 93.5 54.2 -60.6 -41.5 20.2 -20.8 8.0 131 225 A N H <> S+ 0 0 75 -3,-0.9 4,-2.2 -4,-0.4 -1,-0.2 0.909 110.1 44.9 -57.9 -46.3 16.6 -19.9 7.6 132 226 A K H X S+ 0 0 118 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.907 113.9 50.0 -68.1 -40.0 16.0 -22.6 5.0 133 227 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.940 109.5 51.5 -60.0 -48.4 17.9 -25.1 7.1 134 228 A R H X S+ 0 0 7 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.923 110.5 48.9 -54.3 -47.4 15.8 -24.1 10.2 135 229 A T H X>S+ 0 0 42 -4,-2.2 4,-3.4 2,-0.2 5,-0.6 0.904 110.0 51.2 -61.4 -41.2 12.6 -24.7 8.2 136 230 A A H X5S+ 0 0 13 -4,-2.3 4,-2.0 3,-0.2 6,-0.4 0.935 111.0 47.5 -64.6 -45.2 13.8 -28.1 6.9 137 231 A F H <5S+ 0 0 2 -4,-2.7 15,-2.2 2,-0.2 14,-0.5 0.879 118.9 42.3 -59.7 -37.0 14.6 -29.3 10.5 138 232 A E H <5S- 0 0 68 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.915 142.5 -5.9 -82.3 -43.9 11.3 -28.0 11.7 139 233 A R H <5S+ 0 0 202 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.269 110.8 90.9-138.5 11.8 8.9 -29.1 8.9 140 234 A G S < + 0 0 64 -2,-1.4 3,-2.1 5,-0.2 -1,-0.2 0.266 13.8 142.5 -98.3 11.2 15.6 -38.3 6.9 144 238 A F G > S- 0 0 34 1,-0.3 3,-1.7 2,-0.2 4,-0.3 -0.337 87.4 -14.3 -55.4 121.0 19.3 -39.1 6.9 145 239 A N G 3 S- 0 0 57 1,-0.3 -1,-0.3 2,-0.1 -70,-0.1 0.624 111.3 -81.6 60.8 17.0 19.8 -42.0 9.3 146 240 A S G < S+ 0 0 98 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.915 98.8 132.7 52.7 42.2 16.4 -41.4 10.8 147 241 A W S < S+ 0 0 20 -3,-1.7 -75,-0.2 -5,-0.2 -2,-0.1 0.859 80.3 4.6 -90.8 -39.9 18.0 -38.7 12.8 148 242 A F S > S+ 0 0 11 -6,-0.8 2,-1.2 -4,-0.3 3,-0.7 0.343 86.8 139.6-133.4 -0.8 15.6 -35.8 12.3 149 243 A S T 3 S+ 0 0 44 1,-0.3 -8,-0.1 -5,-0.2 -1,-0.0 -0.827 76.8 32.1 -81.4 97.7 12.9 -37.4 10.4 150 244 A N T 3 S- 0 0 71 -2,-1.2 -1,-0.3 -10,-0.1 -12,-0.1 0.452 113.1 -68.9 175.3 133.3 11.0 -36.0 11.9 151 245 A G < - 0 0 50 -3,-0.7 2,-0.3 -14,-0.5 -13,-0.2 0.545 33.6-162.6-127.2-141.7 11.3 -33.4 13.1 152 246 A T - 0 0 32 -15,-2.2 2,-0.3 -2,-0.1 -4,-0.0 -0.990 28.0-106.8-152.3 154.6 13.0 -31.1 15.6 153 247 A T - 0 0 70 -2,-0.3 2,-0.3 324,-0.0 326,-0.1 -0.570 37.3-154.1 -70.1 134.3 13.2 -27.9 17.7 154 248 A T - 0 0 0 324,-0.4 324,-2.9 -2,-0.3 2,-0.3 -0.743 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4,-2.4 2,-0.2 5,-0.2 0.936 118.8 49.4 -54.9 -47.3 7.7 21.8 14.2 386 480 A N H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 111.2 49.1 -55.0 -47.2 6.2 25.1 15.4 387 481 A A H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.944 115.6 41.0 -62.7 -48.6 4.5 23.6 18.3 388 482 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.5 0.800 113.3 54.0 -73.0 -29.3 7.5 21.6 19.6 389 483 A S H X>S+ 0 0 1 -4,-2.4 4,-1.8 -5,-0.3 6,-1.7 0.894 111.5 45.3 -67.7 -42.1 9.9 24.5 19.0 390 484 A A H X5S+ 0 0 39 -4,-2.2 4,-0.7 4,-0.3 -2,-0.2 0.908 117.9 45.9 -64.7 -40.7 7.7 26.8 21.0 391 485 A H H <5S+ 0 0 113 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.932 128.4 21.1 -70.4 -50.2 7.4 24.1 23.7 392 486 A F H <5S+ 0 0 13 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.768 136.0 31.3 -91.7 -30.8 11.0 23.0 24.0 393 487 A L H <5S- 0 0 30 -4,-1.8 -3,-0.2 -5,-0.5 -2,-0.1 0.585 101.2-116.0-107.9 -14.1 12.9 25.9 22.6 394 488 A G << + 0 0 63 -5,-0.7 -4,-0.3 -4,-0.7 -3,-0.1 0.741 57.1 159.6 80.4 24.4 10.7 28.9 23.5 395 489 A E 0 0 55 -6,-1.7 -1,-0.2 -9,-0.1 -2,-0.1 -0.403 360.0 360.0 -74.8 157.8 10.0 29.8 19.9 396 490 A Q 0 0 147 -2,-0.1 -1,-0.1 -7,-0.0 -6,-0.1 0.673 360.0 360.0 -69.5 360.0 7.0 31.9 19.0 397 ! 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 0.0 398 497 A S 0 0 135 0, 0.0 4,-0.1 0, 0.0 -164,-0.0 0.000 360.0 360.0 360.0 -61.4 0.6 29.1 1.3 399 498 A I > + 0 0 83 2,-0.1 4,-2.6 1,-0.1 3,-0.4 0.463 360.0 99.2-105.2 -8.3 2.9 31.8 0.1 400 499 A I H > S+ 0 0 37 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.905 83.9 44.2 -49.1 -55.5 5.8 29.4 -0.7 401 500 A S H > S+ 0 0 31 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.824 112.6 53.4 -63.3 -32.4 5.1 29.2 -4.4 402 501 A D H 4 S+ 0 0 117 -3,-0.4 3,-0.4 2,-0.2 4,-0.3 0.940 107.3 49.9 -67.3 -47.8 4.6 32.9 -4.7 403 502 A L H >< S+ 0 0 18 -4,-2.6 3,-1.2 1,-0.2 4,-0.3 0.899 109.4 54.5 -53.4 -41.6 7.9 33.7 -3.0 404 503 A Q H 3< S+ 0 0 10 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.837 107.5 48.6 -62.2 -35.7 9.5 31.3 -5.5 405 504 A N T 3< S+ 0 0 125 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.319 102.5 72.8 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21.3 2.6 17.1 450 549 A S H 3> S+ 0 0 44 -426,-0.3 4,-1.2 1,-0.3 3,-0.3 0.719 91.8 64.7 -66.9 -20.9 19.0 2.2 14.0 451 550 A Y H <> S+ 0 0 32 -3,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.754 86.5 73.8 -71.1 -25.2 16.8 -0.3 15.9 452 551 A L H << S+ 0 0 10 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.908 110.8 22.5 -60.5 -43.6 15.7 2.3 18.4 453 552 A L H < S+ 0 0 39 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.714 128.8 46.6 -95.2 -20.5 13.3 4.3 16.1 454 553 A A H < S+ 0 0 44 -4,-1.2 -2,-0.2 2,-0.1 2,-0.2 0.709 115.4 37.1 -92.0 -23.4 12.7 1.6 13.5 455 554 A R S < S- 0 0 108 -4,-2.3 2,-0.1 -5,-0.2 -108,-0.0 -0.537 75.1-114.3-124.4-172.8 11.9 -1.3 15.9 456 555 A G > - 0 0 22 -2,-0.2 4,-0.5 1,-0.0 3,-0.1 -0.188 39.9 -80.3-111.5-159.2 10.2 -2.0 19.3 457 556 A Q H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.783 113.1 68.7 -75.2 -32.5 10.9 -3.2 22.8 458 557 A Q H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.885 95.2 52.6 -58.3 -41.7 11.1 -6.9 22.0 459 558 A I H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.806 107.0 53.9 -68.0 -31.0 14.3 -6.8 20.0 460 559 A K H X S+ 0 0 15 -4,-0.5 4,-2.0 -3,-0.4 -1,-0.2 0.917 110.7 46.1 -66.2 -43.7 16.1 -5.0 22.9 461 560 A V H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.944 111.8 52.8 -61.6 -46.2 15.0 -7.8 25.2 462 561 A V H X S+ 0 0 28 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.923 107.5 50.3 -55.0 -48.8 16.1 -10.3 22.6 463 562 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.933 112.4 46.7 -58.0 -48.0 19.6 -8.8 22.3 464 563 A Q H X S+ 0 0 8 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.893 112.9 50.6 -59.6 -40.6 20.1 -8.8 26.1 465 564 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.928 110.0 47.5 -65.7 -48.3 18.9 -12.3 26.4 466 565 A F H X S+ 0 0 10 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.919 112.5 51.5 -59.2 -43.1 21.2 -13.8 23.7 467 566 A R H X S+ 0 0 35 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.923 113.2 43.2 -60.5 -48.0 24.1 -11.9 25.3 468 567 A K H X S+ 0 0 20 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.906 113.6 52.6 -63.5 -39.6 23.4 -13.3 28.8 469 568 A C H ><>S+ 0 0 2 -4,-2.8 5,-2.4 1,-0.2 3,-1.1 0.880 102.3 57.6 -66.2 -38.5 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-22.2 19.0 12.6 831 930 A G + 0 0 36 21,-2.4 2,-0.3 -2,-0.2 -1,-0.1 -0.322 64.7 97.1 -75.2 155.6 -26.0 19.3 12.9 832 931 A G S S- 0 0 56 1,-0.1 7,-0.1 2,-0.1 4,-0.0 -0.851 74.5 -84.8 148.8 176.9 -28.4 17.1 11.2 833 932 A N S S+ 0 0 160 -2,-0.3 -1,-0.1 2,-0.0 3,-0.1 0.556 85.1 100.2 -95.2 -13.6 -30.7 14.0 11.3 834 933 A D S S- 0 0 105 1,-0.2 -2,-0.1 -3,-0.1 5,-0.1 -0.201 86.5 -78.1 -67.0 162.8 -28.2 11.3 10.4 835 934 A K > - 0 0 144 1,-0.1 3,-1.8 3,-0.1 4,-0.2 -0.243 47.3-109.2 -53.0 149.0 -26.5 8.9 12.8 836 935 A L G > S+ 0 0 63 1,-0.3 3,-2.6 2,-0.2 -6,-0.1 0.852 117.3 60.0 -49.9 -45.0 -23.6 10.5 14.8 837 936 A Y G 3 S+ 0 0 84 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.685 104.7 51.3 -68.6 -11.8 -20.9 8.5 12.9 838 937 A N G < S+ 0 0 63 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.355 100.8 67.1 -95.3 4.6 -22.2 10.1 9.7 839 938 A R < + 0 0 36 -3,-2.6 -9,-2.5 -4,-0.2 2,-0.5 0.139 66.9 108.7-117.5 23.0 -21.9 13.6 11.2 840 939 A A E -G 829 0N 0 -3,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.863 47.5-179.9 -95.6 131.9 -18.2 14.1 11.7 841 940 A E E -G 828 0N 8 -13,-2.4 -13,-2.0 -2,-0.5 -34,-0.1 -0.951 35.7 -96.4-136.7 150.4 -16.7 16.6 9.2 842 941 A D > - 0 0 35 -2,-0.3 4,-2.8 -15,-0.2 5,-0.2 -0.458 33.1-134.8 -59.0 124.6 -13.4 18.2 8.3 843 942 A P H > S+ 0 0 8 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.862 106.0 50.5 -55.4 -38.9 -13.2 21.6 10.1 844 943 A L H > S+ 0 0 118 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.891 109.7 49.6 -66.4 -40.0 -11.9 23.3 6.9 845 944 A F H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 6,-0.2 0.940 110.7 52.0 -62.2 -45.0 -14.8 21.8 4.9 846 945 A V H <>S+ 0 0 5 -4,-2.8 5,-2.2 2,-0.2 4,-0.4 0.907 112.8 43.7 -54.0 -47.8 -17.2 23.1 7.7 847 946 A L H ><5S+ 0 0 97 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.944 111.5 53.7 -66.5 -46.0 -15.7 26.6 7.4 848 947 A E H 3<5S+ 0 0 142 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.846 118.2 34.5 -55.2 -39.9 -15.7 26.7 3.6 849 948 A N T 3<5S- 0 0 75 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.252 105.3-119.0-108.4 11.1 -19.4 25.8 3.3 850 949 A N T < 5 + 0 0 147 -3,-1.1 2,-0.3 -4,-0.4 -3,-0.2 0.892 47.4 178.2 57.1 42.5 -20.7 27.6 6.3 851 950 A I < - 0 0 48 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.617 29.3-119.1 -83.5 133.6 -21.9 24.3 7.9 852 951 A Q - 0 0 112 -2,-0.3 -21,-2.4 -21,-0.1 2,-0.2 -0.570 23.1-135.5 -77.2 128.5 -23.6 24.6 11.3 853 952 A V B -H 830 0O 13 -2,-0.3 2,-2.1 -23,-0.3 -23,-0.3 -0.503 27.8-104.8 -76.2 149.4 -21.8 22.7 14.1 854 953 A D > + 0 0 33 -25,-2.9 4,-1.7 1,-0.2 3,-0.4 -0.523 45.4 175.5 -78.4 79.8 -24.0 20.7 16.5 855 954 A S H > S+ 0 0 19 -2,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.869 76.2 52.4 -53.6 -45.1 -23.8 23.1 19.4 856 955 A R H > S+ 0 0 124 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.870 105.0 58.0 -62.7 -35.3 -26.2 21.2 21.6 857 956 A Y H >>S+ 0 0 29 -3,-0.4 4,-2.8 1,-0.2 5,-0.5 0.926 104.8 50.0 -58.3 -45.8 -24.1 18.1 21.0 858 957 A Y H X>S+ 0 0 1 -4,-1.7 5,-2.7 3,-0.2 4,-0.6 0.882 113.7 46.9 -64.0 -34.7 -21.1 19.8 22.4 859 958 A L H <>S+ 0 0 1 -4,-1.8 5,-2.3 3,-0.2 -2,-0.2 0.980 124.9 26.3 -66.1 -56.1 -23.0 20.9 25.5 860 959 A T H <5S+ 0 0 52 -4,-2.9 5,-0.4 1,-0.2 -3,-0.2 0.827 130.8 34.2 -85.2 -30.5 -24.7 17.6 26.3 861 960 A N H <5S+ 0 0 98 -4,-2.8 -3,-0.2 -5,-0.4 -1,-0.2 0.432 130.6 23.8-109.9 -3.9 -22.3 15.0 24.9 862 961 A Q T < S+ 0 0 114 -5,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.920 114.7 46.5 -63.9 -46.7 -20.7 14.7 31.9 866 965 A P H > S+ 0 0 28 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.901 114.9 48.4 -62.9 -38.9 -17.1 15.5 32.7 867 966 A I H >X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 3,-0.7 0.935 111.3 48.9 -67.1 -46.5 -18.1 18.8 34.4 868 967 A I H 3X S+ 0 0 20 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.939 107.0 57.8 -56.6 -44.4 -20.8 17.2 36.5 869 968 A S H 3< S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.775 111.7 41.4 -61.2 -26.2 -18.3 14.5 37.6 870 969 A I H << S+ 0 0 2 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.841 122.7 35.3 -91.2 -30.0 -16.0 17.1 39.0 871 970 A V H >X>S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.1 3,-2.2 0.777 99.8 73.7 -94.6 -26.2 -18.5 19.4 40.7 872 971 A A H 3X5S+ 0 0 9 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.1 0.876 89.6 61.3 -54.2 -41.6 -21.2 17.0 42.0 873 972 A P H 345S+ 0 0 52 0, 0.0 -373,-0.4 0, 0.0 -1,-0.3 0.667 117.3 32.4 -60.6 -12.1 -18.9 15.7 44.7 874 973 A I H <45S+ 0 0 58 -3,-2.2 -2,-0.2 2,-0.1 -3,-0.1 0.799 133.8 23.0-108.3 -50.7 -18.9 19.3 46.0 875 974 A I H <5S- 0 0 32 -4,-2.8 4,-0.4 1,-0.2 -3,-0.2 0.535 112.0-112.0 -96.6 -9.2 -22.3 20.8 45.2 876 975 A G X< - 0 0 30 -4,-2.1 4,-2.2 -5,-0.5 5,-0.2 0.093 28.2 -80.4 92.1 155.6 -24.2 17.5 45.0 877 976 A D H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.818 122.3 55.9 -58.2 -39.0 -25.8 15.6 42.1 878 977 A K H > S+ 0 0 175 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.956 112.7 38.6 -65.6 -53.2 -29.0 17.6 42.0 879 978 A Q H > S+ 0 0 94 -4,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.903 114.4 54.8 -62.4 -46.2 -27.4 21.1 41.6 880 979 A A H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.950 113.5 42.2 -53.4 -50.2 -24.8 19.8 39.2 881 980 A N H >< S+ 0 0 77 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.881 110.0 56.9 -65.2 -40.6 -27.5 18.4 37.0 882 981 A G H >< S+ 0 0 39 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.874 95.8 65.2 -58.1 -36.6 -29.7 21.4 37.3 883 982 A M H 3< S+ 0 0 27 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.781 100.7 52.9 -57.9 -26.3 -26.9 23.6 36.0 884 983 A F T << S+ 0 0 11 -3,-1.2 2,-0.7 -4,-0.5 -1,-0.3 0.322 73.6 121.9 -96.3 8.6 -27.3 21.7 32.7 885 984 A V < 0 0 122 -3,-2.1 -1,-0.1 1,-0.2 -4,-0.0 -0.857 360.0 360.0 -99.4 98.0 -31.0 22.3 32.3 886 985 A V 0 0 89 -2,-0.7 -1,-0.2 -111,-0.0 -3,-0.1 -0.778 360.0 360.0 -91.6 360.0 -30.4 23.7 29.6