==== 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 28-JUN-01 1JHR . COMPND 2 MOLECULE: NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZO . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR C.G.CHEONG,J.ESCALANTE-SEMERENA,I.RAYMENT . 341 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 1 0 0 2 1 0 2 2 1 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 4 A L > 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -41.6 48.2 11.8 13.8 2 5 A H H > + 0 0 77 2,-0.2 4,-2.1 3,-0.2 5,-0.1 0.813 360.0 52.6 -74.1 -28.2 45.9 10.0 11.5 3 6 A A H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.975 108.8 48.7 -64.1 -56.5 44.0 9.2 14.7 4 7 A L H 4 S+ 0 0 25 1,-0.2 3,-0.2 2,-0.2 -2,-0.2 0.919 115.0 44.6 -47.4 -53.0 44.0 12.8 15.5 5 8 A L H >< S+ 0 0 39 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.843 109.0 56.3 -65.0 -35.0 42.7 13.7 12.1 6 9 A R H 3< S+ 0 0 179 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 103.9 54.8 -66.1 -34.8 40.2 10.9 12.0 7 10 A D T 3< + 0 0 62 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.300 69.4 125.9 -85.6 8.3 38.5 12.2 15.2 8 11 A I < - 0 0 16 -3,-1.1 244,-0.2 -4,-0.1 2,-0.1 -0.566 62.1-125.8 -67.7 122.4 37.8 15.8 14.1 9 12 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 245,-0.1 -0.334 11.0-121.8 -74.3 151.1 34.1 16.1 14.8 10 13 A A - 0 0 76 1,-0.1 2,-0.1 -2,-0.1 267,-0.0 -0.428 43.6 -87.4 -79.3 160.5 31.6 17.3 12.3 11 14 A P - 0 0 57 0, 0.0 2,-1.1 0, 0.0 35,-0.2 -0.396 40.9-109.0 -71.8 152.0 29.5 20.3 13.1 12 15 A D > - 0 0 64 33,-2.6 4,-2.0 1,-0.2 5,-0.2 -0.696 32.0-175.9 -83.3 94.5 26.3 19.8 15.1 13 16 A A H > S+ 0 0 73 -2,-1.1 4,-2.1 1,-0.2 5,-0.2 0.814 81.4 58.2 -61.5 -31.7 23.5 20.5 12.6 14 17 A E H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.943 107.4 45.4 -64.2 -47.9 20.9 20.1 15.3 15 18 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 111.8 53.4 -62.9 -40.1 22.4 22.8 17.4 16 19 A M H X S+ 0 0 54 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.876 106.9 51.1 -63.6 -38.4 22.8 25.1 14.4 17 20 A A H X S+ 0 0 64 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.932 111.1 47.9 -65.2 -42.3 19.1 24.7 13.4 18 21 A R H X S+ 0 0 134 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.913 112.0 51.0 -63.9 -39.4 18.0 25.6 17.0 19 22 A T H X S+ 0 0 3 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.959 108.0 51.3 -63.6 -47.5 20.3 28.6 16.8 20 23 A Q H X S+ 0 0 71 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.944 110.1 49.5 -54.6 -48.4 19.0 29.8 13.5 21 24 A Q H X S+ 0 0 65 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.932 110.8 49.7 -58.2 -44.8 15.4 29.6 14.8 22 25 A H H < S+ 0 0 61 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.942 110.6 49.5 -60.8 -44.4 16.3 31.6 17.9 23 26 A I H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.903 106.6 56.4 -60.7 -40.6 18.1 34.2 15.9 24 27 A D H 3< S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 104.3 54.3 -63.3 -29.2 15.1 34.5 13.7 25 28 A G T 3< S+ 0 0 30 -4,-1.5 313,-2.4 -3,-0.4 314,-0.4 0.407 84.7 116.3 -84.7 0.3 12.9 35.3 16.7 26 29 A L B < S-A 337 0A 0 -3,-1.5 2,-2.6 -4,-0.3 311,-0.3 -0.313 84.9 -88.9 -73.9 162.8 14.9 38.1 18.0 27 30 A L S S+ 0 0 82 309,-2.6 -1,-0.1 311,-0.0 309,-0.1 -0.339 99.0 70.3 -66.7 63.7 13.7 41.8 18.2 28 31 A K S S- 0 0 18 -2,-2.6 310,-0.1 -4,-0.2 3,-0.1 -0.965 96.2 -72.0-168.8 162.4 14.8 42.8 14.7 29 32 A P S > S- 0 0 93 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.401 70.0 -90.3 -64.8 135.7 13.9 42.3 11.0 30 33 A P T 3 S+ 0 0 98 0, 0.0 -6,-0.1 0, 0.0 -5,-0.0 -0.247 108.7 5.6 -55.4 133.3 15.0 38.8 10.1 31 34 A G T > S+ 0 0 41 -8,-0.1 3,-1.7 -3,-0.1 6,-0.1 0.388 90.2 127.9 74.5 4.5 18.5 38.6 8.7 32 35 A S T < + 0 0 62 -3,-2.5 -1,-0.1 1,-0.3 0, 0.0 0.698 66.3 57.1 -63.7 -22.6 19.1 42.2 9.5 33 36 A L T >> S- 0 0 68 -4,-0.3 3,-2.2 1,-0.2 4,-0.6 0.269 86.6-175.4 -92.2 13.5 22.3 41.5 11.5 34 37 A G H X> + 0 0 37 -3,-1.7 4,-1.5 1,-0.3 3,-1.0 0.065 64.7 14.3 37.4-121.2 23.8 39.8 8.5 35 38 A R H 3> S+ 0 0 113 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.673 121.0 64.6 -58.4 -21.8 27.2 38.2 9.1 36 39 A L H <> S+ 0 0 48 -3,-2.2 4,-2.1 2,-0.2 -1,-0.3 0.879 104.4 48.4 -69.7 -35.4 26.9 38.5 12.9 37 40 A E H < S+ 0 0 43 -4,-2.4 3,-0.7 1,-0.2 4,-0.4 0.935 109.2 48.6 -59.9 -47.3 28.6 28.8 12.9 43 46 A L H >< S+ 0 0 1 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.884 104.5 60.2 -61.0 -40.3 29.8 28.9 16.5 44 47 A A H 3< S+ 0 0 1 -4,-2.0 7,-0.3 1,-0.3 -1,-0.2 0.837 99.5 56.8 -59.8 -29.6 26.7 27.0 17.7 45 48 A G T << S+ 0 0 0 -4,-1.2 -33,-2.6 -3,-0.7 -1,-0.3 0.613 81.8 102.1 -80.8 -7.2 27.7 24.1 15.5 46 49 A M X - 0 0 2 -3,-1.6 3,-2.4 -4,-0.4 5,-0.3 -0.675 65.7-149.2 -80.0 111.5 31.1 23.7 17.2 47 50 A P G > S+ 0 0 52 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.777 92.7 62.3 -52.7 -35.5 30.9 20.8 19.7 48 51 A G G 3 S+ 0 0 30 206,-1.8 207,-0.1 1,-0.3 206,-0.1 0.610 96.9 65.4 -67.0 -8.5 33.4 22.2 22.2 49 52 A L G X S- 0 0 1 -3,-2.4 3,-0.9 205,-0.4 -1,-0.3 0.353 105.5-122.3 -98.3 4.3 31.0 25.1 22.6 50 53 A N T < - 0 0 127 -3,-1.7 -2,-0.1 1,-0.2 -6,-0.1 0.905 64.0 -57.5 58.5 46.0 28.1 23.1 24.1 51 54 A G T 3 S+ 0 0 19 -5,-0.3 -1,-0.2 -7,-0.3 -7,-0.1 0.529 116.8 75.9 66.5 15.3 25.4 23.9 21.6 52 55 A T S < S- 0 0 31 -3,-0.9 2,-0.6 -6,-0.2 -1,-0.1 -0.997 88.7 -97.5-151.3 152.2 25.4 27.7 21.9 53 56 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.583 63.8 147.4 -70.2 117.6 27.4 30.6 20.7 54 57 A Q - 0 0 68 -2,-0.6 2,-0.4 111,-0.1 -2,-0.0 -0.994 38.4-150.7-151.7 155.3 29.7 31.4 23.7 55 58 A V + 0 0 34 -2,-0.3 3,-0.1 271,-0.1 109,-0.1 -0.986 20.8 163.4-131.7 119.9 33.1 32.7 24.6 56 59 A G - 0 0 29 1,-0.5 2,-0.2 -2,-0.4 108,-0.2 0.482 64.2 -7.4 -99.1-114.0 35.0 31.7 27.7 57 60 A E E -b 164 0B 128 106,-2.6 108,-3.3 103,-0.1 109,-1.3 -0.555 67.8-145.0 -87.0 154.6 38.7 32.3 27.9 58 61 A K E -b 166 0B 25 46,-0.5 48,-2.7 106,-0.2 2,-0.4 -0.934 14.8-175.1-120.4 138.8 40.6 33.5 24.8 59 62 A A E -bc 167 106B 1 107,-2.3 109,-1.8 -2,-0.4 2,-0.5 -0.997 15.6-157.3-138.9 139.2 44.2 32.7 23.8 60 63 A V E -bc 168 107B 0 46,-2.7 48,-3.5 -2,-0.4 2,-0.7 -0.968 15.7-155.8-111.9 118.2 46.5 33.9 21.0 61 64 A L E -bc 169 108B 0 107,-2.3 109,-2.1 -2,-0.5 2,-0.7 -0.861 5.3-163.5 -99.5 114.6 49.2 31.4 20.2 62 65 A V E -bc 170 109B 0 46,-3.1 48,-3.4 -2,-0.7 2,-0.6 -0.860 3.8-157.1-103.6 113.5 52.3 32.9 18.6 63 66 A M E -bc 171 110B 0 107,-2.3 109,-1.8 -2,-0.7 2,-0.4 -0.779 12.3-163.8 -93.2 115.8 54.7 30.5 16.8 64 67 A C E +bc 172 111B 0 46,-3.4 48,-2.6 -2,-0.6 49,-1.1 -0.869 21.2 140.7-108.2 135.6 58.2 31.8 16.6 65 68 A A E - c 0 113B 0 107,-2.3 49,-0.3 -2,-0.4 2,-0.2 -0.975 38.3-124.5-166.0 156.3 60.9 30.4 14.3 66 69 A D - 0 0 3 47,-2.4 65,-2.0 -2,-0.3 2,-0.4 -0.688 21.9-142.8-104.5 158.6 63.8 31.4 12.0 67 70 A H B > -g 131 0C 1 107,-0.5 3,-1.6 63,-0.3 4,-0.2 -0.970 14.6-143.2-127.5 134.9 64.2 30.5 8.4 68 71 A G G > S+ 0 0 10 63,-1.2 3,-2.2 64,-0.5 65,-0.3 0.841 97.1 75.0 -63.1 -28.7 67.4 29.6 6.5 69 72 A V G > >S+ 0 0 2 63,-0.5 3,-2.4 1,-0.3 5,-0.6 0.655 71.9 84.1 -58.6 -13.8 65.9 31.4 3.5 70 73 A W G X 5S+ 0 0 70 -3,-1.6 3,-1.7 1,-0.3 5,-0.4 0.866 77.9 69.0 -57.2 -30.5 66.7 34.7 5.2 71 74 A D G < 5S+ 0 0 107 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.570 84.1 71.7 -64.4 -10.0 70.2 34.2 3.7 72 75 A E G < 5S- 0 0 48 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.334 114.0-110.3 -90.2 6.0 68.8 34.8 0.3 73 76 A G T < 5S+ 0 0 48 -3,-1.7 -2,-0.1 -4,-0.1 -3,-0.1 0.765 79.2 130.8 72.5 26.5 68.3 38.5 1.0 74 77 A V < + 0 0 3 -5,-0.6 2,-0.4 -4,-0.3 101,-0.1 0.490 61.1 55.0 -88.5 -6.8 64.5 38.2 1.1 75 78 A A - 0 0 23 -5,-0.4 4,-0.1 -6,-0.1 -2,-0.1 -0.994 57.3-159.7-133.1 137.2 64.0 40.1 4.4 76 79 A V S S+ 0 0 77 -2,-0.4 -1,-0.1 124,-0.3 125,-0.1 0.711 71.7 89.6 -85.7 -21.9 65.1 43.6 5.6 77 80 A S S S- 0 0 30 123,-0.1 -2,-0.1 1,-0.1 5,-0.1 -0.550 88.2-111.1 -74.4 139.0 64.9 42.9 9.3 78 81 A P > - 0 0 74 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.359 29.4-111.7 -65.4 150.9 68.0 41.5 10.8 79 82 A K T > S+ 0 0 43 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.841 112.4 63.9 -50.5 -42.9 67.7 37.8 11.8 80 83 A I T 3> S+ 0 0 99 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.660 79.0 84.4 -59.0 -19.6 68.0 38.6 15.5 81 84 A V H <> S+ 0 0 37 -3,-1.9 4,-2.8 1,-0.2 5,-0.3 0.852 84.9 58.5 -55.0 -32.7 64.7 40.5 15.4 82 85 A T H <> S+ 0 0 0 -3,-1.7 4,-1.8 -4,-0.3 -1,-0.2 0.948 110.2 41.1 -60.2 -49.5 62.9 37.2 15.8 83 86 A A H > S+ 0 0 20 -4,-0.4 4,-1.9 -3,-0.3 -2,-0.2 0.914 116.8 49.8 -63.8 -43.4 64.6 36.5 19.1 84 87 A I H X S+ 0 0 84 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.932 112.8 44.6 -60.3 -50.1 64.3 40.1 20.2 85 88 A Q H X S+ 0 0 49 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.819 108.5 58.5 -65.0 -34.6 60.6 40.4 19.5 86 89 A A H X S+ 0 0 0 -4,-1.8 4,-0.7 -5,-0.3 -1,-0.2 0.924 107.5 46.7 -64.9 -38.5 59.9 37.0 21.0 87 90 A A H >X S+ 0 0 13 -4,-1.9 3,-1.6 1,-0.2 4,-0.5 0.935 108.8 55.8 -66.6 -41.3 61.4 38.3 24.3 88 91 A N H >X>S+ 0 0 37 -4,-2.2 3,-1.4 1,-0.3 5,-1.3 0.833 96.1 65.4 -57.8 -32.9 59.3 41.4 23.9 89 92 A M H ><5S+ 0 0 7 -4,-1.8 3,-0.7 1,-0.3 -1,-0.3 0.831 96.9 56.0 -60.3 -29.9 56.3 39.2 23.7 90 93 A T H <<5S+ 0 0 63 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.654 106.2 51.0 -76.9 -14.3 57.0 38.2 27.3 91 94 A R H <<5S- 0 0 155 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.440 107.5-121.1-102.7 0.0 56.9 41.9 28.3 92 95 A G T <<5S+ 0 0 39 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.1 0.684 78.7 116.6 71.1 24.4 53.6 42.8 26.7 93 96 A T < + 0 0 95 -5,-1.3 -4,-0.1 4,-0.1 2,-0.1 0.549 47.5 95.5-100.9 -7.8 55.0 45.6 24.5 94 97 A T S > S- 0 0 7 -6,-0.4 4,-2.6 -9,-0.1 5,-0.2 -0.322 86.5-105.2 -81.1 167.4 54.3 44.1 21.1 95 98 A G H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.907 119.9 46.4 -56.9 -48.1 51.4 44.9 18.9 96 99 A V H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.910 110.6 54.6 -63.4 -41.4 49.7 41.5 19.5 97 100 A C H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.933 110.3 44.8 -54.3 -50.7 50.2 41.9 23.2 98 101 A V H X S+ 0 0 80 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.901 117.1 44.6 -63.2 -40.9 48.5 45.3 23.3 99 102 A L H X S+ 0 0 52 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.882 112.1 52.3 -73.9 -34.9 45.6 44.2 21.1 100 103 A A H X>S+ 0 0 1 -4,-3.4 5,-2.7 -5,-0.2 4,-0.6 0.938 108.4 50.1 -66.3 -43.7 45.2 40.9 23.0 101 104 A A H ><5S+ 0 0 73 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.893 107.1 55.7 -58.7 -39.4 45.0 42.7 26.4 102 105 A Q H 3<5S+ 0 0 166 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.853 112.3 43.0 -62.3 -32.0 42.4 45.0 24.9 103 106 A A H 3<5S- 0 0 10 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.425 114.7-115.3 -92.4 -2.7 40.4 41.9 24.0 104 107 A G T <<5S+ 0 0 53 -3,-1.0 -46,-0.5 -4,-0.6 2,-0.3 0.822 70.4 138.7 72.0 29.9 41.0 40.2 27.3 105 108 A A < - 0 0 12 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.3 -0.767 50.6-127.9-105.6 151.3 42.9 37.4 25.6 106 109 A K E -c 59 0B 55 -48,-2.7 -46,-2.7 -2,-0.3 2,-0.5 -0.827 18.3-134.8-101.8 140.1 46.1 35.8 26.9 107 110 A V E -c 60 0B 39 -2,-0.4 2,-0.6 -48,-0.2 -46,-0.2 -0.799 13.2-163.5 -96.1 125.0 49.2 35.5 24.6 108 111 A H E -c 61 0B 45 -48,-3.5 -46,-3.1 -2,-0.5 2,-0.6 -0.936 7.7-155.9-107.9 117.1 51.1 32.3 24.5 109 112 A V E -c 62 0B 11 -2,-0.6 14,-2.9 12,-0.3 2,-0.5 -0.845 12.6-171.1 -96.1 120.8 54.6 32.6 23.0 110 113 A I E -cd 63 123B 2 -48,-3.4 -46,-3.4 -2,-0.6 2,-0.8 -0.955 15.5-151.3-120.5 123.4 55.9 29.4 21.5 111 114 A D E +cd 64 124B 3 12,-3.3 14,-2.5 -2,-0.5 -46,-0.2 -0.812 26.4 160.5 -92.1 109.9 59.4 28.8 20.2 112 115 A V E S- 0 0 0 -48,-2.6 15,-2.1 -2,-0.8 16,-0.4 0.393 80.7 -16.2-108.2 0.9 59.3 26.2 17.5 113 116 A G E S+c 65 0B 0 -49,-1.1 -47,-2.4 13,-0.2 17,-0.9 0.371 71.0 165.4 165.4 41.7 62.6 27.0 16.0 114 117 A I - 0 0 0 -50,-0.3 2,-1.4 -49,-0.3 16,-0.1 -0.540 38.6-130.2 -74.5 139.0 64.3 30.4 16.8 115 118 A D S S+ 0 0 63 14,-0.2 2,-0.3 -2,-0.2 -32,-0.1 -0.613 79.6 67.8 -91.3 73.0 68.0 30.5 15.9 116 119 A A S S- 0 0 19 -2,-1.4 3,-0.1 -34,-0.1 14,-0.1 -0.954 97.4 -60.2-169.6 175.1 69.2 31.8 19.3 117 120 A E S S- 0 0 151 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.390 73.7 -82.4 -68.2 152.2 69.6 30.7 22.9 118 121 A P - 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0 0 10 -4,-3.8 -1,-0.2 1,-0.1 5,-0.1 -0.573 36.1-106.4 -69.9 130.2 60.9 44.9 1.6 203 206 A P >> - 0 0 64 0, 0.0 3,-0.5 0, 0.0 4,-0.5 -0.287 21.5-120.7 -59.7 140.3 62.1 47.6 -0.9 204 207 A P G >4 S+ 0 0 86 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.808 112.8 59.8 -52.8 -29.8 60.4 47.5 -4.3 205 208 A S G >4 S+ 0 0 106 1,-0.2 3,-0.9 2,-0.1 4,-0.3 0.975 100.7 54.8 -58.0 -54.2 63.8 47.0 -5.9 206 209 A R G <> S+ 0 0 30 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.438 83.3 90.4 -60.9 -8.4 64.3 43.8 -3.9 207 210 A I H S+ 0 0 133 -3,-0.9 4,-2.6 -4,-0.4 -1,-0.2 0.880 105.2 50.8 -44.7 -48.9 62.5 40.4 -8.2 209 212 A N H > S+ 0 0 63 -4,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.901 107.8 53.2 -58.9 -40.9 64.9 38.5 -6.1 210 213 A K H X S+ 0 0 1 -4,-1.4 4,-2.1 -3,-0.5 -2,-0.2 0.928 108.7 49.7 -61.5 -43.2 62.2 37.4 -3.8 211 214 A V H X S+ 0 0 10 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.945 110.5 49.1 -61.8 -47.7 60.2 36.1 -6.7 212 215 A D H X S+ 0 0 41 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.918 108.4 54.0 -57.8 -44.1 63.1 34.1 -8.1 213 216 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.913 108.5 49.6 -55.7 -45.2 63.8 32.6 -4.7 214 217 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.943 112.2 47.0 -59.5 -48.8 60.2 31.4 -4.5 215 218 A R H X S+ 0 0 113 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.915 111.6 52.0 -59.2 -44.1 60.3 29.8 -7.9 216 219 A R H X S+ 0 0 91 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.929 106.5 53.7 -57.7 -47.9 63.6 28.2 -7.0 217 220 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.887 112.8 43.5 -54.8 -43.2 62.2 26.7 -3.9 218 221 A I H X S+ 0 0 35 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.931 113.5 48.6 -70.6 -46.9 59.4 25.1 -5.8 219 222 A A H < S+ 0 0 62 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.931 116.0 45.3 -59.4 -45.9 61.5 23.9 -8.7 220 223 A I H < S+ 0 0 94 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.908 122.4 33.2 -66.1 -45.3 64.0 22.4 -6.4 221 224 A N H < S- 0 0 16 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.743 82.2-153.8 -86.2 -27.9 61.7 20.7 -3.9 222 225 A Q < - 0 0 128 -4,-3.1 2,-0.1 -5,-0.2 -3,-0.1 0.957 19.4-157.7 52.6 59.1 58.8 19.8 -6.2 223 226 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.444 15.1-121.7 -69.9 143.0 56.2 19.8 -3.4 224 227 A N > - 0 0 81 3,-0.2 3,-1.8 1,-0.1 7,-0.5 -0.775 15.7-156.8 -89.9 113.2 53.1 17.8 -4.0 225 228 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.694 92.1 59.3 -61.5 -21.5 50.1 20.1 -3.8 226 229 A R T 3 S+ 0 0 71 1,-0.2 2,-0.6 2,-0.0 -2,-0.0 0.593 99.3 65.7 -85.4 -6.7 47.8 17.3 -2.9 227 230 A D <> - 0 0 41 -3,-1.8 4,-2.3 1,-0.1 3,-0.2 -0.845 62.3-173.6-121.3 95.6 49.9 16.6 0.1 228 231 A G H > S+ 0 0 1 -2,-0.6 4,-2.3 1,-0.3 5,-0.2 0.766 88.7 51.0 -55.2 -34.4 49.7 19.4 2.7 229 232 A I H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.888 108.2 53.3 -73.7 -37.0 52.4 17.8 4.9 230 233 A D H > S+ 0 0 25 -3,-0.2 4,-1.9 1,-0.2 5,-0.3 0.942 111.8 44.9 -61.1 -45.3 54.6 17.5 1.9 231 234 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 -7,-0.5 5,-0.4 0.945 112.7 49.4 -64.7 -50.2 54.3 21.1 1.0 232 235 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.920 113.5 46.8 -53.6 -48.8 54.8 22.3 4.6 233 236 A S H < S+ 0 0 6 -4,-2.5 -93,-2.1 2,-0.2 -94,-0.7 0.855 119.6 38.3 -65.0 -35.4 57.9 20.2 5.1 234 237 A K H < S+ 0 0 46 -4,-1.9 -95,-1.0 -96,-0.2 -2,-0.2 0.948 137.0 8.2 -82.3 -56.0 59.5 21.2 1.8 235 238 A V H < S+ 0 0 0 -4,-2.5 -52,-0.3 -5,-0.3 -3,-0.2 0.193 114.0 76.8-118.4 16.4 58.7 24.9 1.3 236 239 A G < - 0 0 0 -4,-1.6 2,-0.3 -5,-0.4 -102,-0.1 0.082 69.0-128.4 -98.9-143.7 57.1 25.9 4.6 237 240 A G > - 0 0 0 -58,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.948 29.1 -95.8-161.3 169.2 58.8 26.6 8.0 238 241 A F H > S+ 0 0 4 -172,-0.3 4,-2.5 -2,-0.3 5,-0.1 0.855 123.5 52.7 -63.0 -38.1 58.4 25.6 11.7 239 242 A D H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 111.0 46.5 -61.6 -45.6 56.3 28.6 12.4 240 243 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.897 112.2 49.9 -64.1 -43.4 53.9 27.8 9.6 241 244 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.941 109.0 53.6 -59.5 -46.3 53.7 24.2 10.6 242 245 A G H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.879 107.9 49.4 -56.0 -42.6 53.0 25.4 14.2 243 246 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 3,-0.3 0.913 109.1 51.9 -63.9 -44.0 50.1 27.5 13.0 244 247 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.910 107.1 55.5 -57.2 -40.5 48.6 24.6 11.0 245 248 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.808 103.2 52.9 -63.7 -34.1 48.9 22.6 14.2 246 249 A V H X S+ 0 0 0 -4,-1.3 4,-3.2 -3,-0.3 5,-0.3 0.938 110.1 49.7 -66.9 -42.1 46.8 25.0 16.2 247 250 A M H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.909 112.3 45.7 -61.3 -43.3 44.2 24.8 13.6 248 251 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.891 115.1 48.6 -69.3 -38.2 44.2 21.0 13.7 249 252 A G H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.906 110.9 48.1 -66.1 -46.5 44.2 21.0 17.4 250 253 A A H <>S+ 0 0 0 -4,-3.2 5,-3.5 2,-0.2 4,-0.3 0.915 113.2 49.0 -61.7 -41.0 41.3 23.4 17.8 251 254 A A H ><5S+ 0 0 0 -4,-1.9 3,-1.7 -5,-0.3 -2,-0.2 0.941 110.1 49.5 -65.5 -43.9 39.2 21.6 15.3 252 255 A R H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.877 111.3 51.0 -59.5 -37.1 39.9 18.2 17.0 253 256 A a T 3<5S- 0 0 25 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.509 117.5-119.6 -75.2 -7.7 38.9 19.9 20.2 254 257 A G T < 5S+ 0 0 1 -3,-1.7 -206,-1.8 -4,-0.3 -205,-0.4 0.827 70.1 129.7 70.9 30.4 35.7 21.1 18.4 255 258 A L < - 0 0 7 -5,-3.5 -1,-0.2 -207,-0.1 2,-0.2 -0.865 59.2-103.1-122.6 157.9 36.6 24.8 18.9 256 259 A P - 0 0 2 0, 0.0 -89,-2.1 0, 0.0 2,-0.4 -0.445 26.4-162.3 -79.0 145.6 36.9 28.0 16.8 257 260 A V E -ef 167 282B 0 24,-2.4 26,-2.5 -91,-0.2 2,-0.6 -0.995 11.4-141.9-128.5 128.4 40.1 29.5 15.6 258 261 A L E -ef 168 283B 1 -91,-3.1 -89,-1.6 -2,-0.4 60,-0.1 -0.762 18.3-140.6 -90.2 125.1 40.5 33.0 14.4 259 262 A L - 0 0 0 24,-3.0 27,-0.1 -2,-0.6 -89,-0.0 -0.273 12.5-159.6 -72.8 169.8 42.9 33.4 11.4 260 263 A D - 0 0 3 1,-0.4 26,-0.6 25,-0.1 25,-0.5 0.291 39.8 -51.1-116.1-116.4 45.3 36.4 11.2 261 264 A G S > S- 0 0 6 26,-0.1 4,-2.1 24,-0.1 -1,-0.4 0.031 83.6 -38.5-107.5-147.0 46.9 37.6 8.0 262 265 A F H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.862 130.8 49.7 -48.8 -52.2 48.9 36.3 5.1 263 266 A L H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.935 112.2 50.3 -57.4 -44.7 51.1 33.8 7.0 264 267 A S H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.854 105.3 56.3 -62.2 -36.9 48.0 32.4 8.6 265 268 A Y H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.916 105.8 51.2 -63.3 -39.0 46.2 32.0 5.3 266 269 A S H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.921 111.1 47.8 -62.7 -39.6 49.1 29.9 4.0 267 270 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.846 109.3 54.5 -67.1 -35.2 48.8 27.7 7.1 268 271 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.885 103.1 55.0 -68.7 -37.2 45.1 27.4 6.7 269 272 A L H X S+ 0 0 17 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.935 111.4 45.8 -59.7 -43.8 45.5 26.2 3.1 270 273 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.927 111.7 51.1 -64.8 -46.9 47.7 23.4 4.3 271 274 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 7,-0.2 0.924 112.0 46.0 -58.5 -45.6 45.4 22.5 7.2 272 275 A C H < S+ 0 0 26 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.787 112.2 52.3 -68.4 -27.9 42.4 22.3 4.9 273 276 A Q H < S+ 0 0 83 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.894 114.4 42.4 -71.4 -42.5 44.4 20.2 2.5 274 277 A I H < S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.890 137.3 7.0 -70.5 -42.7 45.4 17.9 5.2 275 278 A A >< - 0 0 9 -4,-3.1 3,-1.9 -5,-0.2 4,-0.3 -0.831 56.3-169.7-148.9 102.0 42.0 17.7 6.8 276 279 A P G > S+ 0 0 97 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.758 85.3 75.6 -62.7 -24.0 39.0 19.3 5.1 277 280 A A G 3 S+ 0 0 45 1,-0.3 4,-0.2 2,-0.1 -5,-0.1 0.619 83.2 70.2 -61.0 -14.8 37.1 18.7 8.3 278 281 A V G X S+ 0 0 0 -3,-1.9 3,-2.1 -7,-0.2 4,-0.5 0.828 77.5 82.0 -71.0 -31.4 39.0 21.6 9.7 279 282 A R G X S+ 0 0 83 -3,-1.5 3,-1.6 -4,-0.3 -1,-0.2 0.804 81.1 57.7 -43.9 -50.9 37.2 24.2 7.6 280 283 A P G 3 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.681 103.4 55.9 -61.8 -16.8 34.1 24.7 9.6 281 284 A Y G < S+ 0 0 0 -3,-2.1 -24,-2.4 -4,-0.2 2,-0.3 0.580 87.1 98.4 -90.8 -12.7 36.2 25.8 12.7 282 285 A L E < -f 257 0B 1 -3,-1.6 -24,-0.2 -4,-0.5 -35,-0.0 -0.600 50.0-171.1 -84.1 139.5 38.1 28.6 11.0 283 286 A I E -f 258 0B 0 -26,-2.5 -24,-3.0 -2,-0.3 19,-0.0 -0.989 17.7-135.1-131.1 120.7 37.1 32.2 11.3 284 287 A P - 0 0 11 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.304 20.5-178.5 -68.7 157.5 38.7 34.9 9.2 285 288 A S - 0 0 1 1,-0.5 21,-2.4 -25,-0.5 20,-1.1 0.594 54.4 -4.3-117.4 -76.0 39.7 38.2 10.9 286 289 A H B -h 306 0D 4 -26,-0.6 2,-0.9 19,-0.2 -1,-0.5 -0.728 63.1-108.7-125.0 170.2 41.1 40.8 8.7 287 290 A F - 0 0 68 19,-2.4 22,-0.5 -2,-0.2 23,-0.3 -0.834 41.0-134.6 -99.1 99.2 42.1 41.3 5.1 288 291 A S - 0 0 7 -2,-0.9 23,-0.2 -28,-0.2 6,-0.1 -0.241 5.7-135.3 -54.8 144.9 45.9 41.4 5.0 289 292 A A + 0 0 53 21,-2.2 2,-0.2 4,-0.1 -1,-0.1 0.391 69.5 120.0 -80.2 2.4 47.6 44.2 2.9 290 293 A E S > S- 0 0 17 20,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.503 74.7-120.3 -71.3 138.5 50.0 41.5 1.5 291 294 A K T > S+ 0 0 137 1,-0.3 3,-0.5 -2,-0.2 4,-0.3 0.826 109.7 48.0 -44.1 -50.2 49.8 41.1 -2.3 292 295 A G T 3> S+ 0 0 0 -97,-0.6 4,-2.5 1,-0.2 -1,-0.3 0.376 83.4 100.7 -79.9 4.5 48.8 37.4 -2.3 293 296 A A H <> S+ 0 0 1 -3,-2.0 4,-2.9 1,-0.2 5,-0.2 0.932 79.3 49.1 -54.9 -51.7 46.0 38.0 0.3 294 297 A R H <> S+ 0 0 56 -3,-0.5 4,-2.2 -4,-0.4 -1,-0.2 0.911 112.8 46.6 -56.9 -46.0 43.1 38.0 -2.2 295 298 A I H > S+ 0 0 40 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.935 113.4 49.1 -61.2 -49.3 44.2 34.9 -4.0 296 299 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.926 113.0 46.5 -56.8 -48.0 44.8 33.0 -0.8 297 300 A L H X>S+ 0 0 4 -4,-2.9 5,-2.4 1,-0.2 4,-0.7 0.839 107.2 57.7 -64.4 -36.6 41.4 34.0 0.6 298 301 A A H ><5S+ 0 0 66 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 0.914 105.9 50.5 -62.8 -40.0 39.6 33.1 -2.6 299 302 A H H 3<5S+ 0 0 99 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.826 112.8 44.6 -68.5 -27.4 40.9 29.6 -2.3 300 303 A L H 3<5S- 0 0 9 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.516 107.3-131.5 -88.3 -8.1 39.7 29.3 1.3 301 304 A S T <<5 + 0 0 91 -4,-0.7 2,-0.4 -3,-0.7 -3,-0.2 0.916 57.9 143.4 56.6 46.2 36.5 30.9 0.2 302 305 A M < - 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0 0 36 -309,-0.1 -309,-2.6 1,-0.1 2,-0.4 -0.245 31.4-106.9 -76.9 172.4 14.8 40.5 23.4 337 340 A E B > -A 26 0A 100 -311,-0.3 3,-1.2 1,-0.1 -311,-0.2 -0.850 7.6-133.7-110.7 142.5 12.3 38.5 21.3 338 341 A L T 3 S+ 0 0 39 -313,-2.4 -312,-0.1 -2,-0.4 -1,-0.1 0.878 103.5 62.5 -53.9 -46.9 9.7 39.6 18.8 339 342 A A T 3 0 0 104 -314,-0.4 -1,-0.3 1,-0.3 -313,-0.1 0.748 360.0 360.0 -53.1 -32.5 7.0 37.5 20.3 340 343 A A < 0 0 119 -3,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.696 360.0 360.0 -84.1 360.0 7.2 39.3 23.5 341 ! 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 0.0 342 346 A I 0 0 206 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 5.6 42.8 16.9