==== 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 1JHU . COMPND 2 MOLECULE: NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZO . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR C.G.CHEONG,J.ESCALANTE-SEMERENA,I.RAYMENT . 346 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 75.1 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 . 48 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 38.7 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 1 1 1 1 1 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 49 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -33.0 48.3 11.6 14.1 2 5 A H H > + 0 0 84 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.909 360.0 49.4 -70.4 -39.1 46.1 9.5 11.9 3 6 A A H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 108.2 52.6 -57.9 -54.7 44.0 9.2 15.0 4 7 A L H >4 S+ 0 0 25 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.953 113.3 42.2 -45.8 -63.4 44.1 12.9 15.5 5 8 A L H >< S+ 0 0 46 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.820 112.8 56.2 -55.8 -34.5 42.9 13.6 12.0 6 9 A R H 3< S+ 0 0 172 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 104.9 51.5 -66.5 -36.6 40.4 10.7 12.3 7 10 A D T << S+ 0 0 64 -4,-2.3 -1,-0.2 -3,-0.7 -2,-0.2 0.283 70.7 126.5 -88.3 5.4 38.7 12.1 15.4 8 11 A I < - 0 0 17 -3,-0.9 244,-0.2 -4,-0.3 2,-0.1 -0.538 61.4-125.9 -65.5 126.9 38.0 15.7 14.2 9 12 A P - 0 0 38 0, 0.0 245,-0.1 0, 0.0 -1,-0.1 -0.437 10.7-123.3 -78.9 152.1 34.3 16.1 14.9 10 13 A A - 0 0 77 -2,-0.1 2,-0.0 1,-0.1 267,-0.0 -0.494 43.0 -88.5 -82.1 158.1 31.7 17.2 12.3 11 14 A P - 0 0 59 0, 0.0 2,-1.2 0, 0.0 35,-0.2 -0.379 40.9-108.6 -69.7 150.8 29.7 20.3 13.1 12 15 A D > - 0 0 63 33,-3.0 4,-2.0 1,-0.2 3,-0.2 -0.666 31.4-175.1 -82.8 93.5 26.4 19.8 15.0 13 16 A A H > S+ 0 0 74 -2,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.807 82.5 57.0 -57.5 -33.7 23.7 20.5 12.5 14 17 A E H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 106.8 46.5 -65.2 -48.2 21.0 20.1 15.3 15 18 A A H > S+ 0 0 0 1,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.889 112.0 53.5 -60.4 -41.3 22.5 22.9 17.4 16 19 A M H X S+ 0 0 56 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.842 106.3 50.9 -64.4 -35.9 22.8 25.1 14.3 17 20 A A H X S+ 0 0 65 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.947 110.9 48.6 -66.5 -45.7 19.2 24.7 13.4 18 21 A R H X S+ 0 0 134 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.899 111.9 51.6 -58.4 -41.4 18.2 25.6 16.9 19 22 A T H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.960 108.2 49.5 -60.3 -52.0 20.5 28.6 16.7 20 23 A Q H X S+ 0 0 71 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.914 110.1 50.5 -54.9 -48.7 19.1 29.8 13.5 21 24 A Q H X S+ 0 0 66 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.894 111.1 48.8 -59.3 -41.5 15.5 29.7 14.7 22 25 A H H >< S+ 0 0 64 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.934 110.6 50.4 -66.0 -43.9 16.4 31.6 17.8 23 26 A I H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.870 104.5 59.2 -58.3 -40.5 18.2 34.3 15.9 24 27 A D H 3< S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.802 103.5 51.5 -63.6 -28.6 15.2 34.6 13.6 25 28 A G T << S+ 0 0 30 -4,-1.0 313,-2.5 -3,-0.6 314,-0.4 0.403 86.0 116.4 -88.7 0.5 12.9 35.6 16.5 26 29 A L B < S-A 337 0A 0 -3,-1.3 2,-2.4 -4,-0.3 311,-0.3 -0.228 86.3 -83.8 -69.2 162.9 15.2 38.3 17.8 27 30 A L S S+ 0 0 68 309,-2.3 -1,-0.1 310,-0.1 309,-0.1 -0.375 99.9 70.3 -66.3 66.8 14.2 42.0 17.9 28 31 A K S S- 0 0 15 -2,-2.4 310,-0.1 -4,-0.2 3,-0.1 -0.970 94.2 -75.0-171.2 165.2 15.1 42.8 14.3 29 32 A P > - 0 0 79 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.515 69.8 -89.2 -70.5 135.5 14.2 42.3 10.7 30 33 A P T 3 S+ 0 0 83 0, 0.0 -6,-0.1 0, 0.0 -5,-0.0 -0.232 109.9 6.0 -53.1 133.6 15.2 38.8 9.7 31 34 A G T > S+ 0 0 43 -8,-0.1 3,-1.8 -3,-0.1 6,-0.1 0.332 92.3 123.8 74.7 -0.4 18.7 38.6 8.4 32 35 A S T < + 0 0 62 -3,-2.4 -1,-0.1 1,-0.3 0, 0.0 0.673 66.2 57.4 -63.2 -23.1 19.3 42.2 9.2 33 36 A L T > S- 0 0 67 -4,-0.2 3,-1.9 1,-0.2 4,-0.4 0.301 87.5-174.7 -90.8 9.3 22.4 41.5 11.4 34 37 A G T X> + 0 0 37 -3,-1.8 4,-1.6 1,-0.3 3,-0.7 -0.054 62.9 11.1 44.2-119.1 24.1 39.8 8.4 35 38 A R H 3> S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.620 121.1 67.2 -65.7 -18.0 27.4 38.1 9.1 36 39 A L H <> S+ 0 0 49 -3,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.893 104.6 44.2 -70.3 -36.6 26.9 38.5 12.8 37 40 A E H <> S+ 0 0 9 -3,-0.7 4,-2.1 -4,-0.4 -2,-0.2 0.926 113.8 49.8 -70.3 -45.4 24.1 36.0 12.5 38 41 A T H X S+ 0 0 87 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.911 110.3 50.6 -60.4 -43.5 26.0 33.7 10.3 39 42 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.956 108.5 52.7 -60.4 -48.2 29.0 33.8 12.6 40 43 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.884 110.2 46.7 -53.6 -46.0 26.7 32.9 15.6 41 44 A V H X S+ 0 0 17 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.912 109.6 55.8 -67.1 -37.0 25.2 29.9 13.9 42 45 A Q H >< S+ 0 0 36 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.951 108.6 46.2 -60.2 -48.3 28.7 28.8 12.9 43 46 A L H >< S+ 0 0 1 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.906 105.6 60.8 -61.3 -40.2 29.8 28.9 16.5 44 47 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 7,-0.2 0.803 99.0 57.6 -57.8 -27.3 26.7 27.0 17.6 45 48 A G T << S+ 0 0 0 -4,-1.2 -33,-3.0 -3,-0.8 -1,-0.3 0.611 82.5 103.9 -80.6 -9.5 27.7 24.1 15.4 46 49 A M X - 0 0 2 -3,-2.0 3,-2.4 -4,-0.4 5,-0.4 -0.673 64.6-148.7 -80.4 112.1 31.1 23.8 17.2 47 50 A P G > S+ 0 0 54 0, 0.0 3,-1.3 0, 0.0 208,-0.1 0.753 94.0 58.5 -52.7 -34.8 31.1 20.8 19.6 48 51 A G G 3 S+ 0 0 26 206,-2.2 207,-0.1 1,-0.2 206,-0.1 0.565 97.8 67.1 -73.6 -3.5 33.5 22.2 22.1 49 52 A L G X S- 0 0 0 -3,-2.4 3,-0.8 205,-0.4 -1,-0.2 0.378 104.8-122.6 -97.3 -0.8 31.0 25.1 22.5 50 53 A N T < - 0 0 128 -3,-1.3 -2,-0.1 1,-0.2 -6,-0.1 0.906 63.4 -58.5 62.7 41.6 28.2 23.1 24.0 51 54 A G T 3 S+ 0 0 17 -5,-0.4 -1,-0.2 -7,-0.2 -7,-0.1 0.557 117.1 73.1 66.4 18.9 25.5 23.9 21.5 52 55 A T S < S- 0 0 28 -3,-0.8 2,-0.5 -6,-0.2 -1,-0.1 -0.984 90.8 -93.6-154.0 153.6 25.4 27.6 21.7 53 56 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.612 64.2 148.1 -72.6 119.9 27.5 30.6 20.7 54 57 A Q - 0 0 63 -2,-0.5 2,-0.4 111,-0.1 -2,-0.0 -0.987 36.4-153.2-150.1 156.9 29.7 31.3 23.7 55 58 A V + 0 0 36 -2,-0.3 3,-0.1 271,-0.1 109,-0.1 -0.981 18.5 166.1-137.1 121.0 33.2 32.5 24.5 56 59 A G - 0 0 36 1,-0.5 2,-0.2 -2,-0.4 108,-0.2 0.527 63.2 -7.8 -97.8-112.1 35.0 31.5 27.6 57 60 A E E -b 164 0B 117 106,-2.5 108,-3.0 103,-0.1 109,-1.4 -0.558 67.7-144.7 -88.0 154.6 38.7 32.3 27.9 58 61 A K E -b 166 0B 21 46,-0.5 48,-2.7 106,-0.2 2,-0.4 -0.936 15.9-177.8-120.3 140.7 40.7 33.5 24.9 59 62 A A E -bc 167 106B 1 107,-2.2 109,-1.5 -2,-0.4 2,-0.5 -0.995 16.9-153.9-140.4 145.2 44.2 32.7 23.8 60 63 A V E -bc 168 107B 0 46,-2.8 48,-3.3 -2,-0.4 2,-0.6 -0.980 15.5-153.6-115.9 117.2 46.5 33.8 21.0 61 64 A L E -bc 169 108B 0 107,-3.0 109,-2.4 -2,-0.5 2,-0.6 -0.853 7.1-163.3 -97.9 118.1 49.3 31.3 20.1 62 65 A V E -bc 170 109B 0 46,-3.1 48,-3.4 -2,-0.6 2,-0.6 -0.890 3.2-157.7-106.5 112.1 52.4 32.9 18.6 63 66 A M E -bc 171 110B 0 107,-2.3 109,-1.8 -2,-0.6 2,-0.4 -0.799 13.0-167.0 -92.8 114.7 54.7 30.5 16.8 64 67 A C E +bc 172 111B 0 46,-3.3 48,-2.6 -2,-0.6 49,-1.0 -0.848 19.8 136.1-110.3 140.5 58.3 31.8 16.5 65 68 A A E - c 0 113B 0 107,-2.1 49,-0.3 -2,-0.4 2,-0.2 -0.961 39.9-118.4-173.2 156.0 61.1 30.5 14.3 66 69 A D - 0 0 3 47,-2.5 65,-2.1 -2,-0.3 2,-0.4 -0.608 22.1-143.5-100.5 162.0 63.9 31.5 12.0 67 70 A H B > -g 131 0C 1 107,-0.5 3,-1.4 63,-0.3 4,-0.2 -0.988 14.1-144.7-131.5 135.8 64.4 30.6 8.4 68 71 A G G > S+ 0 0 14 63,-0.9 3,-2.2 -2,-0.4 65,-0.3 0.820 96.3 74.7 -65.4 -30.6 67.5 29.7 6.4 69 72 A V G > >S+ 0 0 2 63,-0.4 3,-1.8 1,-0.3 5,-0.7 0.632 73.8 84.5 -58.6 -10.7 66.1 31.5 3.3 70 73 A W G X 5S+ 0 0 66 -3,-1.4 3,-1.7 1,-0.3 5,-0.4 0.901 78.8 64.9 -57.6 -37.2 66.9 34.6 5.2 71 74 A D G < 5S+ 0 0 123 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.603 85.8 72.3 -60.6 -16.8 70.4 34.3 3.7 72 75 A E G < 5S- 0 0 50 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.318 113.9-112.2 -82.1 2.4 69.0 34.8 0.2 73 76 A G T < 5S+ 0 0 50 -3,-1.7 -2,-0.1 2,-0.1 -3,-0.1 0.776 76.8 133.2 71.9 29.2 68.4 38.5 1.0 74 77 A V < + 0 0 4 -5,-0.7 2,-0.4 -4,-0.3 101,-0.1 0.423 62.2 53.9 -88.3 -1.7 64.6 38.2 0.9 75 78 A A - 0 0 21 -5,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.964 54.4-163.3-141.7 126.0 64.2 40.2 4.2 76 79 A V + 0 0 85 -2,-0.4 -1,-0.1 124,-0.2 125,-0.1 0.628 69.0 98.3 -77.4 -14.7 65.4 43.7 5.3 77 80 A S S S- 0 0 31 1,-0.1 -2,-0.1 123,-0.1 123,-0.0 -0.587 87.0-109.1 -74.5 133.6 64.7 42.9 9.0 78 81 A P > - 0 0 77 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.330 24.2-123.2 -62.9 139.6 67.7 41.8 10.9 79 82 A K T > S+ 0 0 44 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.783 107.5 64.7 -52.5 -33.3 67.5 38.1 11.7 80 83 A I T 3> S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.665 78.8 82.8 -68.3 -17.8 67.9 38.8 15.4 81 84 A V H <> S+ 0 0 38 -3,-2.1 4,-3.2 1,-0.2 5,-0.4 0.882 83.9 61.8 -55.9 -34.7 64.6 40.6 15.5 82 85 A T H <> S+ 0 0 0 -3,-1.1 4,-1.7 -4,-0.4 -1,-0.2 0.964 109.7 38.8 -55.8 -50.3 62.9 37.2 15.8 83 86 A A H > S+ 0 0 14 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.904 117.2 50.9 -66.7 -40.7 64.7 36.5 19.1 84 87 A I H X S+ 0 0 84 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.951 112.8 44.4 -59.9 -52.4 64.3 40.1 20.3 85 88 A Q H X S+ 0 0 41 -4,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.813 107.8 59.6 -63.8 -33.3 60.6 40.3 19.6 86 89 A A H X S+ 0 0 0 -4,-1.7 4,-0.9 -5,-0.4 -1,-0.2 0.938 107.2 46.1 -62.7 -43.7 60.1 36.9 21.1 87 90 A A H >X S+ 0 0 14 -4,-2.0 3,-1.5 1,-0.2 4,-0.6 0.947 109.4 55.6 -61.8 -45.7 61.5 38.2 24.4 88 91 A N H >X>S+ 0 0 36 -4,-2.4 3,-1.4 1,-0.3 5,-1.2 0.832 96.2 65.0 -56.3 -33.1 59.3 41.3 24.0 89 92 A M H ><5S+ 0 0 8 -4,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.856 98.2 55.5 -58.8 -33.4 56.3 39.1 23.8 90 93 A T H <<5S+ 0 0 61 -3,-1.5 -1,-0.3 -4,-0.9 -2,-0.2 0.634 106.7 50.6 -73.8 -14.7 57.1 38.1 27.3 91 94 A R H <<5S- 0 0 154 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.511 106.7-121.5-102.5 -2.3 57.0 41.7 28.4 92 95 A G T <<5S+ 0 0 41 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.630 79.2 115.0 75.1 18.9 53.7 42.7 26.9 93 96 A T < + 0 0 95 -5,-1.2 -4,-0.1 4,-0.1 -5,-0.1 0.506 48.5 99.9 -96.6 -6.8 55.1 45.5 24.7 94 97 A T S > S- 0 0 6 -6,-0.5 4,-2.6 -9,-0.1 5,-0.2 -0.309 84.1-107.6 -80.8 167.6 54.3 44.0 21.3 95 98 A G H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.931 120.0 45.0 -55.3 -51.6 51.5 44.8 18.9 96 99 A V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 111.8 53.9 -63.9 -36.4 49.7 41.5 19.5 97 100 A C H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.935 109.6 47.1 -60.4 -47.9 50.2 41.8 23.3 98 101 A V H X S+ 0 0 79 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.907 116.4 43.2 -61.4 -44.0 48.6 45.2 23.4 99 102 A L H X S+ 0 0 51 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.871 112.5 52.6 -72.3 -36.8 45.7 44.2 21.3 100 103 A A H X>S+ 0 0 1 -4,-2.7 5,-2.6 2,-0.2 4,-0.8 0.931 108.2 50.5 -66.1 -41.9 45.2 40.9 23.1 101 104 A A H ><5S+ 0 0 73 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.896 108.2 53.9 -60.9 -36.0 45.1 42.7 26.4 102 105 A Q H 3<5S+ 0 0 166 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.868 113.2 42.8 -64.7 -34.7 42.5 45.0 24.9 103 106 A A H 3<5S- 0 0 9 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.425 114.8-115.6 -90.2 -2.4 40.5 41.9 23.9 104 107 A G T <<5S+ 0 0 45 -4,-0.8 -46,-0.5 -3,-0.7 2,-0.3 0.772 70.6 136.6 72.6 26.1 41.0 40.2 27.3 105 108 A A < - 0 0 13 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.3 -0.731 51.9-126.2-104.0 154.3 43.0 37.3 25.7 106 109 A K E -c 59 0B 51 -48,-2.7 -46,-2.8 -2,-0.3 2,-0.5 -0.831 18.8-135.5-102.3 139.8 46.2 35.7 26.9 107 110 A V E -c 60 0B 38 -2,-0.4 2,-0.6 -48,-0.2 -46,-0.2 -0.793 12.4-162.9 -95.8 126.4 49.3 35.4 24.6 108 111 A H E -c 61 0B 47 -48,-3.3 -46,-3.1 -2,-0.5 2,-0.6 -0.947 8.1-156.3-111.3 113.5 51.2 32.2 24.4 109 112 A V E -c 62 0B 11 -2,-0.6 14,-2.8 12,-0.2 2,-0.5 -0.826 12.3-171.5 -93.9 123.2 54.6 32.5 22.9 110 113 A I E -cd 63 123B 1 -48,-3.4 -46,-3.3 -2,-0.6 2,-0.8 -0.955 17.0-150.5-124.4 123.1 56.0 29.4 21.4 111 114 A D E +cd 64 124B 2 12,-3.2 14,-2.7 -2,-0.5 -46,-0.2 -0.827 25.6 161.9 -92.8 111.7 59.5 28.8 20.2 112 115 A V E S- 0 0 0 -48,-2.6 15,-2.4 -2,-0.8 16,-0.5 0.390 81.4 -17.9-104.9 -4.6 59.4 26.2 17.5 113 116 A G E S+c 65 0B 0 -49,-1.0 -47,-2.5 13,-0.3 17,-0.8 0.366 70.7 166.5 166.4 43.1 62.8 27.1 16.0 114 117 A I - 0 0 0 -49,-0.3 2,-1.7 -50,-0.3 16,-0.0 -0.532 38.6-129.7 -72.3 137.0 64.4 30.5 16.8 115 118 A D S S+ 0 0 63 14,-0.3 2,-0.3 -2,-0.2 -32,-0.1 -0.552 78.8 70.9 -88.0 74.9 68.1 30.6 15.9 116 119 A A S S- 0 0 18 -2,-1.7 3,-0.1 -33,-0.1 14,-0.1 -0.977 96.0 -61.6-168.5 172.8 69.3 31.9 19.3 117 120 A E S S- 0 0 153 -2,-0.3 -3,-0.0 1,-0.1 -2,-0.0 -0.331 73.9 -82.0 -65.0 156.3 69.8 30.8 22.8 118 121 A P - 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0 0 13 -4,-3.0 -1,-0.2 1,-0.1 5,-0.1 -0.556 35.6-105.9 -70.6 134.7 61.0 45.0 1.4 203 206 A P > - 0 0 64 0, 0.0 4,-0.6 0, 0.0 3,-0.4 -0.313 22.1-119.1 -63.0 144.2 62.2 47.5 -1.2 204 207 A P T >4 S+ 0 0 89 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.794 112.0 58.5 -50.8 -35.9 60.6 47.4 -4.6 205 208 A S T >4 S+ 0 0 103 1,-0.2 3,-1.0 2,-0.1 4,-0.3 0.975 101.4 54.4 -57.1 -56.4 63.9 46.7 -6.3 206 209 A R T 3> S+ 0 0 26 -3,-0.4 4,-1.7 1,-0.2 3,-0.3 0.520 83.2 90.1 -56.4 -15.4 64.5 43.5 -4.2 207 210 A I H S+ 0 0 131 -3,-1.0 4,-2.4 -4,-0.4 -1,-0.2 0.876 105.9 50.2 -47.1 -45.1 62.5 40.2 -8.3 209 212 A N H > S+ 0 0 70 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.3 0.913 108.3 52.8 -63.7 -38.9 65.0 38.4 -6.3 210 213 A K H X S+ 0 0 1 -4,-1.7 4,-2.0 -3,-0.3 -2,-0.2 0.927 108.5 50.6 -61.8 -40.6 62.3 37.3 -3.9 211 214 A V H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.938 110.2 49.7 -62.9 -43.5 60.3 36.0 -6.8 212 215 A D H X S+ 0 0 37 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.901 107.4 53.7 -60.5 -43.8 63.3 34.0 -8.1 213 216 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.915 109.0 49.8 -58.0 -44.2 64.0 32.5 -4.7 214 217 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.923 110.9 48.5 -61.2 -47.0 60.3 31.2 -4.5 215 218 A R H X S+ 0 0 117 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.934 111.9 50.1 -59.3 -44.9 60.5 29.7 -8.0 216 219 A R H X S+ 0 0 96 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.899 106.3 54.6 -59.9 -43.5 63.8 28.0 -7.1 217 220 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.894 113.0 44.2 -57.1 -41.1 62.4 26.6 -3.9 218 221 A I H X S+ 0 0 36 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.941 113.9 47.1 -69.6 -50.4 59.6 25.0 -5.8 219 222 A A H < S+ 0 0 62 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.939 116.1 45.4 -57.8 -49.7 61.7 23.7 -8.7 220 223 A I H < S+ 0 0 93 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.901 122.6 32.9 -63.3 -45.6 64.3 22.2 -6.4 221 224 A N H < S- 0 0 15 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.750 81.2-156.0 -87.8 -27.1 61.9 20.6 -3.9 222 225 A Q < - 0 0 126 -4,-3.0 -3,-0.1 -5,-0.2 -4,-0.1 0.950 19.4-160.8 52.7 53.8 59.0 19.6 -6.1 223 226 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.359 17.0-118.7 -68.0 151.7 56.5 19.6 -3.3 224 227 A N > - 0 0 78 3,-0.3 3,-1.9 1,-0.1 7,-0.4 -0.830 14.9-156.9 -97.0 114.1 53.3 17.7 -3.9 225 228 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.688 94.0 59.1 -60.0 -23.3 50.3 20.0 -3.7 226 229 A R T 3 S+ 0 0 71 1,-0.2 2,-0.6 2,-0.0 -2,-0.0 0.652 99.9 64.6 -82.2 -12.1 48.0 17.1 -2.9 227 230 A D <> - 0 0 44 -3,-1.9 4,-2.3 1,-0.1 -3,-0.3 -0.835 62.2-175.1-116.8 95.9 50.2 16.4 0.2 228 231 A G H > S+ 0 0 1 -2,-0.6 4,-2.4 1,-0.3 5,-0.1 0.775 88.2 50.5 -57.1 -35.4 50.0 19.3 2.7 229 232 A I H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.889 109.2 52.6 -71.7 -37.6 52.6 17.7 5.0 230 233 A D H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.925 111.4 46.4 -61.8 -43.1 54.8 17.3 2.0 231 234 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 -7,-0.4 5,-0.4 0.936 112.3 49.2 -65.7 -47.6 54.4 21.0 1.2 232 235 A L H X S+ 0 0 2 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.895 112.7 46.7 -57.7 -46.7 55.0 22.2 4.7 233 236 A S H < S+ 0 0 6 -4,-2.5 -93,-2.2 2,-0.2 -94,-0.8 0.841 119.1 40.8 -67.3 -32.9 58.1 20.2 5.2 234 237 A K H < S+ 0 0 49 -4,-1.6 -95,-1.0 -5,-0.2 -2,-0.2 0.958 136.1 5.4 -80.1 -61.3 59.6 21.2 1.9 235 238 A V H < S+ 0 0 0 -4,-2.4 -52,-0.3 -5,-0.2 -3,-0.2 0.150 115.6 79.3-116.2 16.8 58.9 24.8 1.3 236 239 A G < - 0 0 0 -4,-1.2 2,-0.3 -5,-0.4 -102,-0.2 0.188 67.9-130.4 -95.4-140.2 57.3 25.7 4.6 237 240 A G > - 0 0 0 -58,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.952 29.6 -94.7-167.8 167.9 58.9 26.5 8.1 238 241 A F H > S+ 0 0 5 -172,-0.3 4,-2.9 -2,-0.3 5,-0.1 0.889 125.2 49.5 -60.6 -42.8 58.6 25.6 11.8 239 242 A D H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 111.4 48.9 -62.6 -42.8 56.4 28.5 12.5 240 243 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.907 112.2 49.4 -62.6 -43.8 54.2 27.6 9.5 241 244 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.949 109.4 51.0 -62.1 -48.8 54.0 24.1 10.8 242 245 A G H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.873 107.8 52.9 -58.0 -39.0 53.1 25.2 14.3 243 246 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.908 108.5 49.6 -63.2 -42.7 50.2 27.4 13.0 244 247 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.910 108.1 56.2 -59.4 -40.8 48.8 24.5 11.1 245 248 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.816 104.1 52.1 -60.9 -36.8 49.1 22.4 14.4 246 249 A V H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.937 110.3 48.5 -66.0 -45.4 47.0 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 0.906 112.3 48.6 -61.0 -40.9 44.3 24.7 13.6 248 251 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.906 114.2 45.7 -66.8 -41.7 44.4 20.9 13.8 249 252 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.897 111.3 50.6 -68.1 -43.4 44.2 20.9 17.6 250 253 A A H <>S+ 0 0 0 -4,-2.9 5,-3.4 2,-0.2 -1,-0.2 0.935 112.6 48.1 -60.6 -44.0 41.4 23.4 17.8 251 254 A A H ><5S+ 0 0 0 -4,-1.9 3,-1.5 -5,-0.3 -2,-0.2 0.911 110.2 50.5 -62.4 -44.3 39.4 21.4 15.3 252 255 A R H 3<5S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.885 110.8 49.7 -61.6 -37.4 40.0 18.2 17.0 253 256 A a T 3<5S- 0 0 38 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.445 117.1-119.2 -80.0 0.5 38.8 19.8 20.2 254 257 A G T < 5 + 0 0 0 -3,-1.5 -206,-2.2 1,-0.2 -205,-0.4 0.811 70.0 131.2 65.3 32.9 35.8 21.1 18.3 255 258 A L < - 0 0 7 -5,-3.4 -1,-0.2 -6,-0.2 2,-0.2 -0.837 57.7-100.4-120.3 158.9 36.7 24.7 18.9 256 259 A P - 0 0 3 0, 0.0 -89,-2.4 0, 0.0 2,-0.4 -0.473 25.6-160.8 -79.6 144.8 37.1 27.9 16.8 257 260 A V E -ef 167 282B 0 24,-2.2 26,-2.3 -2,-0.2 2,-0.6 -0.989 9.7-145.2-127.0 125.2 40.2 29.4 15.5 258 261 A L E -ef 168 283B 1 -91,-2.9 -89,-1.7 -2,-0.4 60,-0.1 -0.784 18.6-140.9 -91.0 123.9 40.6 33.0 14.4 259 262 A L - 0 0 0 24,-2.8 27,-0.2 -2,-0.6 -89,-0.1 -0.276 11.3-160.6 -72.6 167.3 43.0 33.4 11.5 260 263 A D - 0 0 2 1,-0.4 26,-0.5 25,-0.1 25,-0.5 0.347 42.5 -48.4-113.4-111.3 45.4 36.4 11.3 261 264 A G S > S- 0 0 8 26,-0.1 4,-2.1 24,-0.1 3,-0.4 -0.071 81.8 -42.0-111.7-152.6 47.1 37.5 7.9 262 265 A F H > S+ 0 0 7 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.844 130.5 50.8 -45.3 -52.9 48.9 36.1 4.9 263 266 A L H > S+ 0 0 9 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.919 112.1 49.0 -56.1 -44.2 51.2 33.8 6.8 264 267 A S H > S+ 0 0 0 -3,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.852 105.6 56.5 -67.1 -34.1 48.1 32.3 8.6 265 268 A Y H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.913 105.6 52.5 -63.0 -39.7 46.2 31.9 5.3 266 269 A S H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.905 110.7 46.4 -59.7 -45.7 49.1 29.7 4.0 267 270 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.859 110.2 54.5 -65.3 -36.6 49.0 27.5 7.1 268 271 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.896 104.6 53.5 -66.1 -37.6 45.2 27.3 6.7 269 272 A L H X S+ 0 0 14 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.953 110.8 46.9 -61.1 -45.5 45.6 26.1 3.1 270 273 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.924 111.1 51.5 -60.3 -45.8 47.8 23.3 4.3 271 274 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 7,-0.3 0.886 111.2 46.6 -60.7 -41.8 45.5 22.4 7.2 272 275 A C H < S+ 0 0 25 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.780 111.5 52.9 -71.6 -26.2 42.5 22.1 4.9 273 276 A Q H < S+ 0 0 87 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.879 113.9 42.1 -72.6 -41.0 44.6 20.1 2.5 274 277 A I H < S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.840 138.1 6.0 -73.0 -37.4 45.6 17.8 5.2 275 278 A A >< - 0 0 10 -4,-2.7 3,-2.0 -5,-0.2 4,-0.3 -0.784 56.2-168.1-153.9 101.9 42.1 17.6 6.8 276 279 A P G > S+ 0 0 98 0, 0.0 3,-1.6 0, 0.0 -4,-0.1 0.772 85.3 77.2 -61.5 -24.7 39.1 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 0.620 82.8 69.4 -59.0 -14.1 37.2 18.7 8.4 278 281 A V G X> S+ 0 0 0 -3,-2.0 3,-2.3 -7,-0.3 4,-0.5 0.831 77.6 82.3 -72.9 -33.4 39.2 21.6 9.7 279 282 A R G X4 S+ 0 0 74 -3,-1.6 3,-1.7 -4,-0.3 -1,-0.2 0.804 81.9 56.1 -39.8 -56.7 37.4 24.2 7.6 280 283 A P G 34 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.638 103.5 58.2 -60.2 -12.8 34.3 24.7 9.6 281 284 A Y G <4 S+ 0 0 1 -3,-2.3 -24,-2.2 -4,-0.2 2,-0.2 0.671 86.8 96.1 -90.6 -17.0 36.4 25.7 12.6 282 285 A L E << -f 257 0B 0 -3,-1.7 -24,-0.2 -4,-0.5 -35,-0.0 -0.525 49.6-173.5 -80.4 141.6 38.2 28.5 10.9 283 286 A I E -f 258 0B 0 -26,-2.3 -24,-2.8 -2,-0.2 19,-0.0 -0.987 19.4-134.2-134.8 119.8 37.2 32.1 11.2 284 287 A P - 0 0 8 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.274 18.5-174.4 -68.3 162.3 38.8 34.9 9.2 285 288 A S - 0 0 0 1,-0.5 21,-2.1 -25,-0.5 20,-1.2 0.589 55.8 -6.0-116.3 -79.4 39.8 38.1 11.0 286 289 A H B -h 306 0D 4 -26,-0.5 2,-0.9 19,-0.2 -1,-0.5 -0.712 64.6-107.1-120.7 169.2 41.1 40.8 8.7 287 290 A F - 0 0 67 19,-2.7 22,-0.6 -2,-0.2 23,-0.3 -0.836 43.6-136.9 -99.2 97.1 42.0 41.3 5.0 288 291 A S - 0 0 7 -2,-0.9 23,-0.2 -28,-0.2 5,-0.1 -0.172 6.9-132.6 -56.3 143.6 45.9 41.4 5.0 289 292 A A + 0 0 53 21,-2.6 2,-0.2 4,-0.1 22,-0.1 0.387 68.3 120.4 -81.1 7.9 47.7 44.0 2.9 290 293 A E S > S- 0 0 15 20,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.559 72.9-122.3 -74.3 136.8 50.0 41.3 1.5 291 294 A K T 3 S+ 0 0 128 1,-0.3 3,-0.5 -2,-0.2 4,-0.3 0.814 109.3 51.7 -44.2 -46.6 49.8 41.0 -2.3 292 295 A G T 3> S+ 0 0 0 -97,-0.6 4,-2.3 1,-0.2 -1,-0.3 0.460 82.9 98.8 -77.1 0.7 49.0 37.3 -2.3 293 296 A A H <> S+ 0 0 1 -3,-2.3 4,-2.9 1,-0.2 5,-0.2 0.908 77.2 51.4 -53.6 -54.2 46.0 37.8 0.2 294 297 A R H > S+ 0 0 59 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.2 0.876 113.7 45.1 -54.0 -42.5 43.1 37.9 -2.3 295 298 A I H > S+ 0 0 44 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.949 112.9 48.6 -68.7 -48.5 44.2 34.7 -4.0 296 299 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.905 113.7 48.3 -57.4 -41.8 44.9 32.8 -0.8 297 300 A L H <>S+ 0 0 5 -4,-2.9 5,-2.7 2,-0.2 4,-0.4 0.824 107.0 55.3 -67.6 -35.7 41.5 33.9 0.6 298 301 A A H ><5S+ 0 0 63 -4,-1.8 3,-0.9 -5,-0.2 -1,-0.2 0.898 105.9 52.7 -65.4 -39.3 39.6 32.9 -2.6 299 302 A H H 3<5S+ 0 0 100 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.798 112.3 43.7 -67.5 -25.6 41.1 29.5 -2.2 300 303 A L T 3<5S- 0 0 10 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.435 107.8-129.7 -94.1 -2.8 39.8 29.2 1.4 301 304 A S T < 5 + 0 0 101 -3,-0.9 2,-0.4 -4,-0.4 -3,-0.2 0.926 58.9 147.0 52.7 48.6 36.5 30.8 0.2 302 305 A M < - 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0 0 55 -4,-1.7 2,-0.0 -5,-0.5 -4,-0.0 -0.460 67.9-123.1 -74.2 152.1 18.6 40.6 22.6 336 339 A G - 0 0 35 -2,-0.1 -309,-2.3 -309,-0.1 2,-0.4 -0.176 28.8-103.4 -79.3-179.8 14.9 40.5 23.2 337 340 A E B >> -A 26 0A 97 -311,-0.3 3,-0.8 1,-0.1 4,-0.6 -0.860 8.1-131.3-116.7 144.7 12.3 38.8 20.9 338 341 A L G >4>S+ 0 0 26 -313,-2.5 5,-2.4 -2,-0.4 3,-1.9 0.906 107.2 54.4 -49.9 -52.3 9.8 40.0 18.4 339 342 A A G >45S+ 0 0 80 -314,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.788 100.3 61.1 -56.3 -32.8 6.9 38.0 19.9 340 343 A A G <45S+ 0 0 74 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.676 108.8 42.7 -70.2 -18.1 7.5 39.5 23.3 341 344 A S G <<5S- 0 0 63 -3,-1.9 -1,-0.3 -4,-0.6 -2,-0.2 0.240 114.2-117.2-109.0 9.4 6.8 42.9 21.8 342 345 A N T < 5 + 0 0 141 -3,-1.1 2,-0.6 1,-0.2 -3,-0.2 0.734 60.8 157.4 60.7 23.1 3.9 41.7 19.8 343 346 A I < - 0 0 77 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.2 -0.688 21.2-170.7 -84.2 124.7 5.7 42.6 16.7 344 347 A V - 0 0 132 -2,-0.6 -1,-0.0 -3,-0.1 -5,-0.0 -0.954 2.7-172.9-120.7 119.1 4.6 40.8 13.7 345 348 A L 0 0 83 -2,-0.5 -2,-0.0 1,-0.0 -7,-0.0 -0.844 360.0 360.0-109.8 146.7 6.4 40.9 10.4 346 349 A P 0 0 175 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.335 360.0 360.0 -55.2 360.0 5.3 39.4 7.1