==== 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 14-SEP-99 1D0V . COMPND 2 MOLECULE: NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZO . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR C.-G.CHEONG,J.C.ESCALANTE-SEMERENA,I.RAYMENT . 346 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.2 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 . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 1 0 0 2 2 1 0 2 1 0 2 0 0 0 2 0 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 50 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.6 48.3 11.8 14.1 2 5 A H H > + 0 0 78 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.916 360.0 51.2 -64.9 -36.2 46.3 9.8 11.7 3 6 A A H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.972 108.4 49.5 -57.1 -58.0 44.2 9.1 14.7 4 7 A L H 4 S+ 0 0 21 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.879 111.9 48.3 -47.4 -51.2 43.9 12.8 15.5 5 8 A L H >< S+ 0 0 43 -4,-2.7 3,-1.1 1,-0.2 -1,-0.3 0.875 110.3 52.6 -61.5 -38.0 42.9 13.6 12.0 6 9 A R H 3< S+ 0 0 175 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.841 104.9 56.2 -66.0 -35.6 40.4 10.8 12.1 7 10 A D T 3< S+ 0 0 60 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.273 70.0 126.9 -84.1 6.2 38.8 12.1 15.2 8 11 A I < - 0 0 16 -3,-1.1 244,-0.2 -4,-0.2 2,-0.1 -0.563 61.1-125.2 -68.5 124.9 38.0 15.7 14.1 9 12 A P - 0 0 35 0, 0.0 245,-0.1 0, 0.0 -1,-0.1 -0.386 11.8-126.7 -74.7 147.9 34.3 16.2 14.8 10 13 A A - 0 0 77 1,-0.1 2,-0.1 -2,-0.1 267,-0.0 -0.526 41.9 -88.6 -83.4 159.5 31.8 17.2 12.3 11 14 A P - 0 0 57 0, 0.0 2,-1.1 0, 0.0 35,-0.2 -0.380 38.7-108.5 -73.7 151.6 29.7 20.3 13.1 12 15 A D > - 0 0 61 33,-2.4 4,-2.1 1,-0.2 5,-0.2 -0.669 30.8-176.3 -82.2 93.8 26.4 19.9 15.0 13 16 A A H > S+ 0 0 74 -2,-1.1 4,-2.2 1,-0.2 5,-0.2 0.808 81.9 57.5 -60.4 -30.9 23.7 20.6 12.5 14 17 A E H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 107.5 45.2 -67.5 -47.6 21.0 20.2 15.2 15 18 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.899 112.4 53.8 -61.2 -40.4 22.5 22.9 17.4 16 19 A M H X S+ 0 0 56 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.886 106.8 50.5 -63.2 -40.0 22.9 25.1 14.3 17 20 A A H X S+ 0 0 64 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.939 111.4 48.3 -64.8 -42.2 19.2 24.7 13.3 18 21 A R H X S+ 0 0 132 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.912 111.7 50.8 -62.9 -38.4 18.2 25.7 16.8 19 22 A T H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.945 108.5 50.7 -64.3 -49.0 20.5 28.6 16.7 20 23 A Q H X S+ 0 0 67 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.948 109.7 50.5 -55.5 -49.7 19.2 29.8 13.4 21 24 A Q H X S+ 0 0 68 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.909 110.7 49.4 -56.0 -44.6 15.6 29.7 14.7 22 25 A H H >< S+ 0 0 60 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.947 110.0 50.6 -59.6 -48.2 16.4 31.7 17.8 23 26 A I H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.846 104.3 58.4 -59.3 -36.5 18.2 34.4 15.8 24 27 A D H 3< S+ 0 0 62 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.836 103.9 52.3 -67.1 -28.2 15.3 34.7 13.5 25 28 A G T << S+ 0 0 30 -4,-1.1 313,-2.2 -3,-0.7 314,-0.4 0.424 84.9 116.0 -88.0 1.8 13.0 35.6 16.4 26 29 A L B < S-A 337 0A 0 -3,-1.2 2,-3.0 -4,-0.3 311,-0.3 -0.277 86.5 -83.5 -73.0 159.3 15.2 38.4 17.8 27 30 A L S S+ 0 0 67 309,-2.5 -1,-0.1 311,-0.0 309,-0.1 -0.250 100.9 68.6 -61.4 64.6 14.1 42.1 18.0 28 31 A K S S- 0 0 16 -2,-3.0 310,-0.1 -4,-0.2 3,-0.1 -0.979 95.7 -73.1-170.1 163.9 15.0 43.0 14.4 29 32 A P S > S- 0 0 84 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.457 71.2 -89.2 -66.6 138.9 14.1 42.4 10.8 30 33 A P T 3 S+ 0 0 80 0, 0.0 -6,-0.1 0, 0.0 -5,-0.0 -0.287 107.8 6.2 -57.7 136.8 15.2 38.9 9.9 31 34 A G T > S+ 0 0 40 -8,-0.1 3,-1.6 -3,-0.1 6,-0.1 0.332 90.7 125.8 74.2 3.1 18.8 38.5 8.6 32 35 A S T < + 0 0 61 -3,-2.0 -1,-0.1 1,-0.3 0, 0.0 0.643 65.1 58.3 -64.9 -21.1 19.4 42.2 9.3 33 36 A L T > S- 0 0 65 1,-0.2 3,-1.9 -4,-0.2 4,-0.4 0.271 88.1-174.2 -92.0 9.8 22.5 41.6 11.4 34 37 A G T X> + 0 0 36 -3,-1.6 3,-1.7 1,-0.3 4,-1.5 0.023 63.9 11.7 38.8-121.3 24.1 39.8 8.4 35 38 A R H 3> S+ 0 0 110 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.707 121.7 67.1 -57.9 -22.5 27.5 38.1 9.0 36 39 A L H <> S+ 0 0 50 -3,-1.9 4,-1.3 2,-0.2 -1,-0.3 0.829 104.7 45.5 -67.4 -29.5 27.0 38.6 12.7 37 40 A E H <> S+ 0 0 8 -3,-1.7 4,-1.8 -4,-0.4 -2,-0.2 0.911 112.3 47.9 -79.7 -44.5 24.2 36.1 12.4 38 41 A T H X S+ 0 0 81 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.894 110.0 54.5 -65.1 -34.4 26.0 33.6 10.2 39 42 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.939 106.4 51.1 -63.0 -46.3 29.0 33.8 12.6 40 43 A A H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.888 111.3 47.8 -58.1 -42.6 26.8 32.9 15.6 41 44 A V H X S+ 0 0 17 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.897 109.6 53.0 -68.1 -37.3 25.3 29.9 13.8 42 45 A Q H >< S+ 0 0 40 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.940 110.8 47.7 -63.5 -45.1 28.8 28.7 12.8 43 46 A L H >< S+ 0 0 1 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.897 104.9 59.2 -61.2 -41.1 29.9 28.9 16.4 44 47 A A H 3< S+ 0 0 1 -4,-2.1 7,-0.3 1,-0.3 -1,-0.2 0.828 99.9 58.4 -59.6 -30.6 26.8 27.0 17.6 45 48 A G T << S+ 0 0 0 -4,-1.3 -33,-2.4 -3,-0.5 -1,-0.3 0.563 80.4 102.5 -76.0 -9.4 27.8 24.1 15.4 46 49 A M X - 0 0 2 -3,-1.7 3,-2.5 -4,-0.4 5,-0.4 -0.702 66.0-147.8 -83.1 112.8 31.2 23.7 17.1 47 50 A P G > S+ 0 0 56 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.738 93.8 61.0 -52.0 -30.5 31.0 20.7 19.5 48 51 A G G 3 S+ 0 0 27 206,-2.3 207,-0.2 1,-0.2 206,-0.1 0.657 96.2 65.0 -72.8 -11.1 33.5 22.2 22.0 49 52 A L G X S- 0 0 0 -3,-2.5 3,-0.8 205,-0.4 -1,-0.2 0.384 106.0-120.2 -92.5 0.5 31.1 25.1 22.5 50 53 A N T < - 0 0 131 -3,-1.2 -2,-0.1 1,-0.2 -6,-0.1 0.862 63.8 -57.5 64.8 37.2 28.2 23.2 24.0 51 54 A G T 3 S+ 0 0 19 -5,-0.4 -1,-0.2 -7,-0.3 -7,-0.1 0.571 117.8 72.4 73.9 13.6 25.4 23.9 21.5 52 55 A T S < S- 0 0 30 -3,-0.8 2,-0.7 -6,-0.2 -1,-0.1 -0.977 92.4 -91.7-150.7 158.0 25.4 27.7 21.7 53 56 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 280,-0.1 -0.630 63.5 159.4 -74.5 110.8 27.6 30.7 20.7 54 57 A Q - 0 0 76 -2,-0.7 2,-0.4 -11,-0.1 -3,-0.0 -0.981 31.3-161.5-138.2 145.6 29.8 31.1 23.7 55 58 A V + 0 0 34 -2,-0.3 3,-0.1 271,-0.1 109,-0.1 -0.964 20.0 158.6-132.6 116.5 33.1 32.7 24.5 56 59 A G - 0 0 26 1,-0.4 2,-0.2 -2,-0.4 108,-0.2 0.515 62.2 -7.6 -99.0-112.9 35.0 31.7 27.6 57 60 A E E -b 164 0B 127 106,-2.2 108,-3.0 48,-0.0 109,-1.5 -0.589 66.1-146.8 -88.8 153.4 38.8 32.4 27.8 58 61 A K E -b 166 0B 25 46,-0.5 48,-2.6 -2,-0.2 2,-0.4 -0.935 14.6-177.6-121.1 139.8 40.8 33.5 24.8 59 62 A A E -bc 167 106B 1 107,-2.1 109,-2.1 -2,-0.4 2,-0.5 -0.997 15.9-155.4-139.4 139.4 44.4 32.7 23.9 60 63 A V E -bc 168 107B 0 46,-2.8 48,-3.4 -2,-0.4 2,-0.6 -0.959 15.1-154.9-111.5 124.3 46.6 33.8 21.0 61 64 A L E -bc 169 108B 0 107,-2.4 109,-2.2 -2,-0.5 2,-0.6 -0.895 5.9-162.0-102.9 115.5 49.5 31.3 20.3 62 65 A V E -bc 170 109B 0 46,-2.7 48,-3.6 -2,-0.6 2,-0.6 -0.878 4.0-155.0-103.4 116.7 52.5 32.9 18.6 63 66 A M E -bc 171 110B 0 107,-2.8 109,-1.6 -2,-0.6 2,-0.4 -0.831 13.5-164.6 -95.2 114.9 54.9 30.5 16.8 64 67 A C E +bc 172 111B 0 46,-3.0 48,-2.6 -2,-0.6 49,-0.9 -0.823 21.4 137.2-106.3 139.3 58.4 31.8 16.6 65 68 A A E - c 0 113B 0 107,-2.1 49,-0.3 -2,-0.4 2,-0.2 -0.936 39.4-123.1-173.8 151.7 61.2 30.5 14.4 66 69 A D - 0 0 4 47,-2.6 65,-1.9 -2,-0.3 2,-0.4 -0.636 23.2-141.1-101.4 160.0 64.0 31.5 12.1 67 70 A H B > -g 131 0C 1 107,-0.5 3,-1.5 63,-0.3 4,-0.3 -0.971 14.6-143.1-126.9 137.2 64.5 30.5 8.5 68 71 A G G > S+ 0 0 9 63,-0.9 3,-1.9 -2,-0.4 65,-0.3 0.816 97.5 73.7 -64.5 -28.5 67.6 29.6 6.5 69 72 A V G > >S+ 0 0 2 63,-0.4 3,-2.0 1,-0.3 5,-0.6 0.627 73.1 84.1 -62.5 -11.7 66.2 31.4 3.5 70 73 A W G X 5S+ 0 0 57 -3,-1.5 3,-2.0 1,-0.3 5,-0.4 0.899 78.6 67.3 -55.0 -38.7 67.0 34.7 5.2 71 74 A D G < 5S+ 0 0 109 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.611 85.2 72.2 -58.5 -13.6 70.5 34.2 3.8 72 75 A E G < 5S- 0 0 49 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.360 113.8-110.0 -86.2 3.6 69.0 34.8 0.3 73 76 A G T < 5S+ 0 0 44 -3,-2.0 137,-0.1 2,-0.1 -2,-0.1 0.802 79.3 130.4 73.4 29.2 68.5 38.5 0.9 74 77 A V < + 0 0 4 -5,-0.6 2,-0.3 -4,-0.4 101,-0.1 0.460 63.6 52.4 -91.2 -5.3 64.7 38.2 1.0 75 78 A A - 0 0 21 -5,-0.4 -1,-0.1 -6,-0.1 -2,-0.1 -0.998 58.3-160.2-137.2 131.9 64.3 40.2 4.3 76 79 A V + 0 0 80 -2,-0.3 -1,-0.1 124,-0.3 125,-0.1 0.620 69.4 90.0 -83.3 -17.7 65.6 43.7 5.4 77 80 A S S S- 0 0 28 1,-0.1 -2,-0.1 123,-0.1 123,-0.0 -0.669 89.4-102.8 -83.2 139.6 65.3 43.1 9.1 78 81 A P > - 0 0 71 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.199 28.5-119.6 -55.4 145.7 68.3 41.7 10.9 79 82 A K T > S+ 0 0 39 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.831 108.9 66.1 -53.2 -40.9 67.9 38.0 11.8 80 83 A I T 3> S+ 0 0 104 1,-0.3 4,-3.1 2,-0.2 -1,-0.3 0.643 78.1 82.4 -57.1 -23.5 68.2 38.7 15.6 81 84 A V H <> S+ 0 0 42 -3,-1.6 4,-3.2 1,-0.2 5,-0.4 0.863 84.8 60.0 -56.0 -32.8 64.9 40.7 15.5 82 85 A T H <> S+ 0 0 0 -3,-1.5 4,-2.1 -4,-0.3 -1,-0.2 0.969 111.1 39.3 -57.4 -52.1 63.1 37.3 15.8 83 86 A A H > S+ 0 0 16 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.908 117.3 50.4 -63.1 -43.8 64.8 36.6 19.1 84 87 A I H X S+ 0 0 92 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.951 113.4 43.5 -59.1 -53.4 64.5 40.2 20.2 85 88 A Q H X S+ 0 0 38 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.829 108.0 60.4 -62.3 -35.7 60.8 40.4 19.5 86 89 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 -5,-0.4 -1,-0.2 0.930 106.0 46.4 -62.6 -39.2 60.2 37.1 21.1 87 90 A A H >< S+ 0 0 12 -4,-1.8 3,-1.5 1,-0.2 4,-0.4 0.923 108.3 56.9 -66.5 -41.6 61.5 38.3 24.4 88 91 A N H >X>S+ 0 0 34 -4,-1.9 3,-1.5 1,-0.3 5,-1.3 0.818 95.1 65.7 -57.1 -32.0 59.4 41.4 24.1 89 92 A M H ><5S+ 0 0 8 -4,-1.7 3,-0.7 1,-0.3 -1,-0.3 0.871 97.4 55.6 -59.4 -33.0 56.4 39.2 23.8 90 93 A T T <<5S+ 0 0 63 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.630 106.8 50.1 -74.0 -13.6 57.2 38.3 27.3 91 94 A R T <45S- 0 0 153 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.514 106.8-122.1-103.1 -4.5 57.1 41.9 28.4 92 95 A G T <<5S+ 0 0 41 -4,-0.9 -3,-0.2 -3,-0.7 -2,-0.1 0.725 78.4 116.2 72.6 26.5 53.7 42.8 26.8 93 96 A T < + 0 0 93 -5,-1.3 -4,-0.1 4,-0.1 2,-0.1 0.439 48.3 98.1-103.7 -2.7 55.1 45.6 24.6 94 97 A T S > S- 0 0 6 -6,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.389 85.4-105.5 -86.2 170.9 54.4 44.1 21.2 95 98 A G H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.942 121.0 43.9 -56.3 -53.3 51.5 44.8 18.8 96 99 A V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.898 112.8 54.2 -63.1 -35.3 49.8 41.4 19.6 97 100 A C H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.944 110.7 44.2 -60.2 -50.4 50.4 41.9 23.3 98 101 A V H X S+ 0 0 82 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.925 118.0 43.9 -60.0 -47.3 48.7 45.3 23.3 99 102 A L H X S+ 0 0 51 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.849 112.7 52.5 -69.8 -35.5 45.8 44.2 21.2 100 103 A A H X>S+ 0 0 1 -4,-2.7 5,-2.4 -5,-0.3 4,-0.6 0.941 108.3 49.6 -66.8 -47.2 45.4 41.0 23.1 101 104 A A H ><5S+ 0 0 73 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.895 107.5 56.6 -56.1 -40.4 45.2 42.8 26.4 102 105 A Q H 3<5S+ 0 0 157 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.876 112.5 40.8 -56.1 -39.8 42.7 45.0 24.8 103 106 A A H 3<5S- 0 0 11 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.363 114.4-114.2 -92.2 0.4 40.5 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 0.802 71.0 136.6 70.7 29.4 41.1 40.2 27.3 105 108 A A < - 0 0 12 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.3 -0.757 51.6-126.0-106.2 153.5 43.0 37.4 25.6 106 109 A K E -c 59 0B 55 -48,-2.6 -46,-2.8 -2,-0.3 2,-0.4 -0.844 18.0-136.0-102.2 136.3 46.3 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 -0.766 12.9-164.3 -92.3 128.2 49.3 35.5 24.6 108 111 A H E -c 61 0B 45 -48,-3.4 -46,-2.7 -2,-0.4 2,-0.6 -0.953 8.6-156.3-112.1 110.9 51.3 32.2 24.5 109 112 A V E -c 62 0B 12 -2,-0.6 14,-2.2 12,-0.3 2,-0.5 -0.784 12.1-169.6 -90.4 123.3 54.7 32.6 22.9 110 113 A I E -cd 63 123B 1 -48,-3.6 -46,-3.0 -2,-0.6 2,-0.9 -0.938 16.2-147.8-120.5 126.1 56.1 29.4 21.6 111 114 A D E +cd 64 124B 3 12,-3.0 14,-2.5 -2,-0.5 -46,-0.2 -0.761 27.2 161.5 -89.1 110.3 59.6 28.8 20.4 112 115 A V E S- 0 0 0 -48,-2.6 15,-2.0 -2,-0.9 16,-0.4 0.411 80.1 -19.5-106.4 1.1 59.5 26.3 17.6 113 116 A G E S+c 65 0B 0 -49,-0.9 -47,-2.6 13,-0.2 17,-0.8 0.377 70.2 167.2 162.0 46.1 62.9 27.1 16.1 114 117 A I - 0 0 0 -49,-0.3 2,-1.6 -50,-0.2 59,-0.0 -0.583 37.6-130.0 -77.0 139.2 64.5 30.4 16.9 115 118 A D S S+ 0 0 60 -2,-0.3 2,-0.3 14,-0.2 -32,-0.1 -0.552 79.8 67.5 -89.6 72.2 68.2 30.6 16.0 116 119 A A S S- 0 0 20 -2,-1.6 3,-0.1 -33,-0.1 -2,-0.1 -0.959 97.2 -59.9-169.3 174.7 69.4 31.9 19.3 117 120 A E S S- 0 0 157 -2,-0.3 2,-0.0 1,-0.1 -3,-0.0 -0.258 72.5 -81.5 -65.7 161.1 69.8 30.8 22.9 118 121 A P - 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0 0 12 -4,-3.6 -1,-0.2 1,-0.1 5,-0.1 -0.548 36.9-104.7 -69.9 134.0 61.2 45.0 1.5 203 206 A P >> - 0 0 65 0, 0.0 3,-2.7 0, 0.0 4,-0.6 -0.375 22.4-121.1 -63.8 136.1 62.3 47.6 -1.0 204 207 A P G >4 S+ 0 0 93 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.731 112.4 60.1 -48.7 -26.4 60.6 47.3 -4.4 205 208 A S G 34 S+ 0 0 111 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.791 100.7 53.9 -74.8 -26.5 64.0 46.8 -6.0 206 209 A R G <> S+ 0 0 26 -3,-2.7 4,-1.5 1,-0.2 3,-0.4 0.523 84.4 90.8 -84.3 -7.8 64.6 43.6 -4.0 207 210 A I H S+ 0 0 127 -4,-0.4 4,-2.7 -3,-0.3 -1,-0.2 0.853 104.9 51.1 -48.5 -41.0 62.6 40.3 -8.1 209 212 A N H > S+ 0 0 65 -3,-0.4 4,-2.9 -4,-0.3 -1,-0.3 0.920 107.5 53.0 -65.4 -40.7 65.2 38.4 -6.1 210 213 A K H X S+ 0 0 2 -4,-1.5 4,-2.0 -3,-0.4 -2,-0.2 0.907 110.2 48.8 -59.8 -41.3 62.4 37.3 -3.7 211 214 A V H X S+ 0 0 9 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.947 110.6 49.3 -63.8 -48.2 60.4 36.0 -6.7 212 215 A D H X S+ 0 0 38 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.929 109.1 54.1 -55.2 -46.5 63.4 34.1 -8.1 213 216 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.900 107.4 50.6 -54.5 -45.5 64.0 32.6 -4.6 214 217 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.937 111.9 45.7 -59.7 -48.5 60.4 31.3 -4.5 215 218 A R H X S+ 0 0 115 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.887 112.1 52.2 -61.6 -42.7 60.6 29.6 -7.9 216 219 A R H X S+ 0 0 95 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.930 108.0 52.0 -60.2 -45.1 63.9 28.1 -7.0 217 220 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.913 114.1 43.1 -56.4 -44.2 62.5 26.7 -3.8 218 221 A I H X S+ 0 0 35 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.957 113.5 50.0 -68.0 -50.9 59.7 25.1 -5.7 219 222 A A H < S+ 0 0 61 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.932 114.7 44.3 -53.4 -50.0 61.8 23.8 -8.6 220 223 A I H < S+ 0 0 98 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.892 120.8 37.1 -65.3 -43.6 64.3 22.2 -6.3 221 224 A N H < S- 0 0 15 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.745 81.6-154.5 -84.5 -28.1 61.9 20.6 -3.8 222 225 A Q < - 0 0 129 -4,-3.1 -3,-0.1 -5,-0.2 2,-0.1 0.956 21.1-160.6 50.6 55.9 59.1 19.5 -6.1 223 226 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.447 16.9-119.6 -69.3 146.2 56.6 19.7 -3.3 224 227 A N > - 0 0 79 3,-0.2 3,-2.4 1,-0.1 7,-0.4 -0.785 15.5-157.7 -92.1 109.7 53.3 17.7 -3.8 225 228 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.653 92.8 58.6 -59.1 -17.9 50.4 20.1 -3.7 226 229 A R T 3 S+ 0 0 72 1,-0.2 2,-0.4 2,-0.0 -2,-0.0 0.339 99.2 65.1 -94.2 4.2 48.1 17.2 -2.9 227 230 A D <> - 0 0 42 -3,-2.4 4,-2.2 1,-0.1 3,-0.4 -0.844 62.5-172.3-132.3 94.7 50.1 16.5 0.2 228 231 A G H > S+ 0 0 1 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.799 88.6 51.4 -55.6 -36.0 49.9 19.3 2.8 229 232 A I H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.852 108.3 53.0 -72.4 -32.5 52.6 17.7 5.0 230 233 A D H > S+ 0 0 26 -3,-0.4 4,-1.8 -6,-0.2 5,-0.2 0.936 111.4 45.8 -67.3 -42.5 54.9 17.4 2.0 231 234 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 -7,-0.4 5,-0.4 0.928 111.8 50.1 -65.9 -49.5 54.5 21.0 1.1 232 235 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.921 112.7 47.1 -54.6 -48.6 55.0 22.3 4.7 233 236 A S H < S+ 0 0 5 -4,-2.0 -93,-2.2 2,-0.2 -94,-0.6 0.858 119.0 39.3 -65.6 -36.0 58.2 20.2 5.2 234 237 A K H < S+ 0 0 47 -4,-1.8 -95,-1.7 -96,-0.2 -2,-0.2 0.973 136.4 8.3 -80.3 -60.7 59.7 21.2 1.9 235 238 A V H < S+ 0 0 0 -4,-2.3 -52,-0.3 -5,-0.2 -3,-0.2 0.191 114.3 79.2-114.9 21.1 59.0 24.9 1.4 236 239 A G < - 0 0 1 -4,-1.6 2,-0.3 -5,-0.4 -102,-0.2 0.143 67.8-130.3 -97.4-145.3 57.4 25.8 4.8 237 240 A G > - 0 0 0 1,-0.1 4,-2.3 -58,-0.1 5,-0.2 -0.953 29.4 -97.1-165.0 164.8 59.0 26.6 8.1 238 241 A F H > S+ 0 0 4 -172,-0.3 4,-2.0 -2,-0.3 5,-0.1 0.856 122.7 52.8 -58.8 -40.5 58.7 25.6 11.8 239 242 A D H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.951 111.0 45.4 -60.8 -48.4 56.6 28.7 12.5 240 243 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.880 112.4 51.3 -62.8 -41.8 54.1 27.9 9.7 241 244 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.917 109.1 51.8 -61.4 -41.3 53.9 24.2 10.7 242 245 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.901 108.0 50.7 -63.0 -39.9 53.2 25.3 14.3 243 246 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.914 109.4 51.2 -63.1 -43.7 50.3 27.6 13.1 244 247 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.924 107.7 53.9 -59.1 -41.7 48.9 24.6 11.1 245 248 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.871 103.4 54.8 -63.6 -37.7 49.1 22.5 14.3 246 249 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.962 109.1 49.7 -59.5 -44.9 47.1 25.0 16.3 247 250 A M H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.895 111.3 46.6 -59.0 -43.8 44.5 24.7 13.6 248 251 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.880 113.8 50.3 -67.5 -37.9 44.4 20.9 13.7 249 252 A G H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.855 108.9 48.4 -70.1 -40.0 44.3 21.0 17.5 250 253 A A H <>S+ 0 0 0 -4,-2.7 5,-3.2 -5,-0.2 4,-0.3 0.924 113.1 49.9 -66.2 -41.6 41.4 23.4 17.8 251 254 A A H ><5S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.3 -2,-0.2 0.943 108.7 50.3 -61.3 -47.0 39.5 21.4 15.3 252 255 A R H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.865 112.2 49.0 -59.1 -34.6 40.1 18.1 17.1 253 256 A a T 3<5S- 0 0 31 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.483 116.1-120.9 -82.0 -5.0 38.9 19.9 20.2 254 257 A G T < 5 + 0 0 0 -3,-1.8 -206,-2.3 -4,-0.3 -205,-0.4 0.813 68.9 130.9 67.9 35.3 35.9 21.1 18.3 255 258 A L < - 0 0 8 -5,-3.2 -1,-0.2 -207,-0.2 2,-0.2 -0.817 58.3-101.8-121.4 157.6 36.8 24.8 19.0 256 259 A P - 0 0 2 0, 0.0 -89,-1.9 0, 0.0 2,-0.4 -0.493 26.2-161.2 -81.0 149.7 37.1 27.9 16.8 257 260 A V E -ef 167 282B 0 24,-2.1 26,-2.1 -91,-0.2 2,-0.5 -0.995 10.6-143.2-130.4 126.4 40.3 29.4 15.6 258 261 A L E -ef 168 283B 0 -91,-3.4 -89,-1.5 -2,-0.4 60,-0.1 -0.762 18.4-142.2 -89.7 125.4 40.7 33.0 14.4 259 262 A L - 0 0 1 24,-2.6 27,-0.1 -2,-0.5 -89,-0.0 -0.300 11.8-160.1 -72.4 169.9 43.1 33.4 11.5 260 263 A D - 0 0 3 1,-0.4 26,-0.7 25,-0.1 25,-0.5 0.352 40.1 -47.4-114.6-112.7 45.5 36.4 11.3 261 264 A G S >> S- 0 0 5 26,-0.1 4,-1.9 24,-0.1 3,-0.5 -0.058 83.2 -40.6-110.1-152.4 47.2 37.6 8.1 262 265 A F H 3> S+ 0 0 5 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.794 129.9 51.6 -48.3 -47.1 49.1 36.3 5.1 263 266 A L H 3> S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.908 111.0 49.2 -62.3 -40.9 51.3 33.8 7.0 264 267 A S H <> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.846 104.5 57.9 -68.1 -32.5 48.2 32.3 8.6 265 268 A Y H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.939 104.9 52.6 -60.3 -45.2 46.5 32.0 5.2 266 269 A S H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.919 112.1 45.0 -49.8 -53.1 49.5 29.9 4.1 267 270 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.825 109.7 54.9 -62.9 -37.5 49.0 27.6 7.2 268 271 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.906 104.2 54.2 -66.5 -38.4 45.3 27.4 6.7 269 272 A L H X S+ 0 0 14 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.941 111.4 45.9 -58.3 -45.9 45.7 26.2 3.2 270 273 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.906 111.3 51.3 -62.9 -45.8 47.9 23.4 4.4 271 274 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 7,-0.2 0.936 111.6 47.1 -58.9 -46.5 45.6 22.5 7.2 272 275 A C H < S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.794 110.8 52.2 -66.3 -28.5 42.7 22.3 4.9 273 276 A Q H < S+ 0 0 84 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.893 113.7 43.9 -73.4 -38.5 44.6 20.2 2.5 274 277 A I H < S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.855 135.8 6.5 -71.6 -40.9 45.6 17.8 5.2 275 278 A A >< - 0 0 9 -4,-3.0 3,-1.9 -5,-0.2 4,-0.3 -0.801 56.4-168.4-151.6 101.9 42.1 17.6 6.8 276 279 A P G > S+ 0 0 96 0, 0.0 3,-1.6 0, 0.0 -4,-0.1 0.759 85.6 75.0 -62.2 -25.3 39.1 19.3 5.2 277 280 A A G 3 S+ 0 0 44 1,-0.3 4,-0.2 2,-0.1 -5,-0.1 0.581 84.1 70.1 -62.8 -9.5 37.2 18.7 8.4 278 281 A V G X> S+ 0 0 0 -3,-1.9 3,-2.0 -7,-0.2 4,-0.5 0.819 77.7 81.3 -76.3 -30.3 39.2 21.5 9.7 279 282 A R G X4 S+ 0 0 73 -3,-1.6 3,-1.5 -4,-0.3 -1,-0.2 0.808 82.0 57.4 -44.5 -50.8 37.5 24.1 7.6 280 283 A P G 34 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.667 102.9 56.3 -63.6 -15.1 34.3 24.7 9.6 281 284 A Y G <4 S+ 0 0 0 -3,-2.0 -24,-2.1 -4,-0.2 2,-0.2 0.632 87.2 98.2 -90.5 -14.3 36.4 25.7 12.6 282 285 A L E << -f 257 0B 0 -3,-1.5 -24,-0.2 -4,-0.5 -35,-0.0 -0.545 49.4-172.7 -80.1 140.9 38.3 28.5 10.9 283 286 A I E -f 258 0B 0 -26,-2.1 -24,-2.6 -2,-0.2 19,-0.0 -0.989 19.4-133.0-134.6 120.2 37.2 32.2 11.2 284 287 A P - 0 0 8 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.271 20.7-177.1 -67.7 159.2 38.8 34.9 9.1 285 288 A S - 0 0 1 -25,-0.5 21,-2.4 1,-0.5 20,-0.9 0.595 53.9 -6.3-117.6 -78.4 39.9 38.1 10.9 286 289 A H B -h 306 0D 4 -26,-0.7 2,-0.9 19,-0.2 -1,-0.5 -0.754 62.5-108.4-123.8 168.5 41.3 40.8 8.6 287 290 A F - 0 0 70 19,-2.2 22,-0.5 -2,-0.3 23,-0.3 -0.838 41.3-137.3-100.7 96.1 42.3 41.3 5.0 288 291 A S - 0 0 7 -2,-0.9 23,-0.2 -28,-0.2 5,-0.1 -0.199 7.1-132.6 -54.6 141.3 46.1 41.5 5.0 289 292 A A + 0 0 52 21,-2.4 2,-0.2 4,-0.1 22,-0.1 0.377 69.3 120.8 -77.9 3.6 47.9 44.1 2.8 290 293 A E S > S- 0 0 15 20,-0.3 3,-2.7 1,-0.1 4,-0.4 -0.509 73.1-123.6 -71.0 133.0 50.2 41.5 1.5 291 294 A K T > S+ 0 0 136 1,-0.3 3,-0.6 -2,-0.2 4,-0.3 0.853 109.3 51.4 -40.7 -49.7 50.0 41.2 -2.3 292 295 A G T 3> S+ 0 0 0 -97,-0.5 4,-1.9 1,-0.2 -1,-0.3 0.457 83.5 97.5 -75.2 0.7 49.2 37.4 -2.3 293 296 A A H <> S+ 0 0 1 -3,-2.7 4,-2.2 1,-0.2 5,-0.3 0.930 78.1 51.1 -57.2 -49.7 46.3 37.9 0.2 294 297 A R H <> S+ 0 0 57 -3,-0.6 4,-1.8 -4,-0.4 -1,-0.2 0.904 111.7 47.6 -55.3 -44.4 43.4 38.0 -2.3 295 298 A I H > S+ 0 0 43 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.895 111.6 49.3 -64.4 -45.7 44.5 34.8 -4.0 296 299 A A H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.901 112.1 48.0 -62.4 -42.8 45.0 32.9 -0.8 297 300 A L H X>S+ 0 0 6 -4,-2.2 5,-2.5 1,-0.2 4,-0.6 0.844 106.9 56.4 -67.6 -36.3 41.6 33.9 0.7 298 301 A A H ><5S+ 0 0 66 -4,-1.8 3,-0.8 -5,-0.3 -1,-0.2 0.912 105.9 50.8 -63.9 -40.3 39.8 33.0 -2.5 299 302 A H H 3<5S+ 0 0 102 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 113.6 44.7 -68.4 -24.8 41.2 29.5 -2.3 300 303 A L H 3<5S- 0 0 13 -4,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.497 108.2-131.1 -90.6 -8.9 40.0 29.3 1.3 301 304 A S T <<5 + 0 0 101 -3,-0.8 2,-0.4 -4,-0.6 -3,-0.2 0.899 57.7 145.8 57.2 45.7 36.7 30.8 0.2 302 305 A M < - 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0 0 54 -4,-1.7 2,-0.0 -5,-0.4 -4,-0.0 -0.455 68.7-123.2 -72.2 152.0 18.8 40.6 22.5 336 339 A G - 0 0 36 -309,-0.1 -309,-2.5 -2,-0.1 2,-0.4 -0.224 28.1-101.4 -83.1 178.9 15.0 40.5 23.2 337 340 A E B > -A 26 0A 89 -311,-0.3 4,-0.9 1,-0.1 3,-0.4 -0.880 6.6-135.1-114.4 142.8 12.3 38.8 21.1 338 341 A L T >4>S+ 0 0 25 -313,-2.2 5,-2.8 -2,-0.4 3,-1.0 0.866 107.1 55.1 -49.1 -49.1 9.8 40.1 18.5 339 342 A A G >45S+ 0 0 75 -314,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.894 100.8 56.4 -56.5 -45.7 7.1 38.0 20.0 340 343 A A G 345S+ 0 0 82 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.745 110.4 46.4 -61.3 -23.1 7.6 39.4 23.5 341 344 A S G <<5S- 0 0 67 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.343 113.9-117.9 -99.4 3.6 7.0 42.9 22.0 342 345 A N T < 5 + 0 0 149 -3,-1.8 2,-0.6 -4,-0.3 -3,-0.2 0.828 60.6 157.2 62.7 32.2 4.0 41.7 20.0 343 346 A I < - 0 0 74 -5,-2.8 2,-0.5 -6,-0.1 -1,-0.2 -0.805 22.3-169.9 -95.7 124.4 5.8 42.6 16.9 344 347 A V + 0 0 133 -2,-0.6 -5,-0.0 -3,-0.1 0, 0.0 -0.951 5.9 179.0-119.0 121.2 4.7 40.8 13.7 345 348 A L 0 0 85 -2,-0.5 -2,-0.0 1,-0.0 -7,-0.0 -0.957 360.0 360.0-121.9 137.7 6.6 41.0 10.5 346 349 A P 0 0 176 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.129 360.0 360.0 -49.0 360.0 5.6 39.3 7.2