==== 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 1JHM . 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) . 12916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 74.9 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 . 134 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 2 1 0 0 2 1 1 1 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 55 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.4 48.3 11.7 14.0 2 5 A H H > + 0 0 80 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.881 360.0 53.6 -68.4 -34.3 46.0 9.8 11.7 3 6 A A H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.969 107.9 49.1 -57.9 -55.4 44.0 9.1 14.9 4 7 A L H 4 S+ 0 0 23 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.958 113.2 45.9 -47.1 -59.0 43.9 12.7 15.6 5 8 A L H >< S+ 0 0 40 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.866 109.1 57.5 -55.0 -38.3 42.8 13.5 12.1 6 9 A R H 3< S+ 0 0 176 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.901 103.9 52.4 -58.0 -46.6 40.2 10.7 12.3 7 10 A D T 3< + 0 0 59 -4,-2.3 -1,-0.3 -3,-0.4 -2,-0.2 0.345 69.4 128.0 -77.8 2.3 38.5 12.1 15.3 8 11 A I < - 0 0 16 -3,-1.2 244,-0.2 -4,-0.4 2,-0.1 -0.508 59.9-130.5 -64.0 119.5 37.9 15.6 14.1 9 12 A P - 0 0 36 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.399 9.4-123.7 -73.8 145.9 34.2 16.0 14.8 10 13 A A - 0 0 76 1,-0.1 267,-0.0 -2,-0.1 268,-0.0 -0.424 42.6 -87.6 -78.4 161.5 31.7 17.3 12.2 11 14 A P - 0 0 57 0, 0.0 2,-1.1 0, 0.0 35,-0.2 -0.281 41.4-106.0 -69.4 158.3 29.6 20.3 13.2 12 15 A D > - 0 0 65 33,-2.7 4,-2.2 1,-0.2 5,-0.2 -0.710 31.5-176.6 -92.3 99.7 26.3 19.9 15.0 13 16 A A H > S+ 0 0 74 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.786 83.3 57.5 -63.4 -29.3 23.5 20.6 12.6 14 17 A E H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 107.5 47.1 -68.8 -43.3 20.9 20.1 15.3 15 18 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.922 111.6 52.9 -60.6 -42.2 22.6 22.9 17.3 16 19 A M H X S+ 0 0 56 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.838 106.3 51.7 -64.3 -35.2 22.7 25.0 14.2 17 20 A A H X S+ 0 0 65 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.932 111.3 47.7 -69.4 -40.6 19.0 24.6 13.5 18 21 A R H X S+ 0 0 130 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.893 111.9 50.5 -68.3 -35.2 18.1 25.7 17.0 19 22 A T H X S+ 0 0 1 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.955 108.9 50.5 -65.4 -46.8 20.4 28.6 16.8 20 23 A Q H X S+ 0 0 68 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.963 109.6 49.9 -55.7 -54.4 19.0 29.8 13.5 21 24 A Q H X S+ 0 0 67 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.895 111.6 49.6 -50.1 -47.4 15.4 29.7 14.7 22 25 A H H >< S+ 0 0 60 -4,-1.9 3,-0.8 1,-0.2 4,-0.4 0.940 110.1 49.6 -59.6 -47.8 16.3 31.6 17.8 23 26 A I H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.835 104.8 59.5 -61.1 -33.8 18.1 34.3 15.9 24 27 A D H 3< S+ 0 0 65 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.837 103.4 52.2 -67.7 -27.9 15.2 34.6 13.6 25 28 A G T << S+ 0 0 29 -4,-1.2 313,-2.5 -3,-0.8 314,-0.4 0.410 85.0 113.6 -85.4 -2.7 12.9 35.5 16.6 26 29 A L B < S-A 337 0A 0 -3,-1.0 2,-2.6 -4,-0.4 311,-0.3 -0.293 87.8 -82.8 -70.0 161.0 15.1 38.3 17.9 27 30 A L S S+ 0 0 71 309,-2.6 -1,-0.1 311,-0.1 309,-0.1 -0.287 100.1 70.8 -63.0 69.1 14.0 42.0 17.9 28 31 A K S S- 0 0 17 -2,-2.6 310,-0.1 -4,-0.2 3,-0.1 -0.966 93.5 -75.3-171.4 164.3 15.0 42.8 14.3 29 32 A P > - 0 0 78 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.511 69.5 -89.9 -70.0 137.7 14.0 42.2 10.7 30 33 A P T 3 S+ 0 0 80 0, 0.0 -6,-0.1 0, 0.0 -5,-0.0 -0.257 109.9 8.6 -56.2 133.6 15.2 38.7 9.8 31 34 A G T > S+ 0 0 42 -8,-0.1 3,-1.7 -3,-0.1 6,-0.1 0.315 90.7 124.8 78.0 -2.0 18.7 38.6 8.5 32 35 A S T < + 0 0 59 -3,-2.5 3,-0.1 1,-0.3 -1,-0.1 0.720 68.7 54.1 -61.0 -25.9 19.3 42.2 9.3 33 36 A L T > S- 0 0 64 -4,-0.3 3,-2.2 1,-0.2 4,-0.3 0.380 87.9-179.3 -91.8 6.8 22.4 41.6 11.4 34 37 A G T X> + 0 0 34 -3,-1.7 4,-1.7 1,-0.3 3,-1.0 -0.018 64.0 17.5 41.0-115.2 23.9 39.7 8.4 35 38 A R H 3> S+ 0 0 111 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.697 120.1 65.5 -59.1 -24.0 27.3 38.2 9.0 36 39 A L H <> S+ 0 0 55 -3,-2.2 4,-2.0 2,-0.2 -1,-0.3 0.880 104.7 45.7 -66.2 -36.5 26.8 38.5 12.8 37 40 A E H <> S+ 0 0 10 -3,-1.0 4,-2.3 -4,-0.3 5,-0.2 0.970 112.8 47.9 -71.1 -53.6 24.0 36.0 12.5 38 41 A T H X S+ 0 0 85 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.915 109.8 53.9 -51.4 -49.0 25.9 33.6 10.3 39 42 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.4 0.979 109.2 48.3 -52.0 -56.6 28.9 33.9 12.6 40 43 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.837 110.1 51.2 -51.3 -40.9 26.7 32.9 15.6 41 44 A V H X S+ 0 0 17 -4,-2.3 4,-0.9 1,-0.2 -1,-0.3 0.903 108.6 53.5 -68.8 -33.6 25.2 29.9 13.7 42 45 A Q H >< S+ 0 0 33 -4,-2.6 3,-0.8 -3,-0.4 4,-0.3 0.932 108.6 47.2 -65.6 -45.7 28.7 28.8 12.9 43 46 A L H >< S+ 0 0 1 -4,-2.3 3,-2.4 1,-0.2 -1,-0.2 0.915 104.8 62.1 -59.7 -42.2 29.8 28.9 16.6 44 47 A A H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 7,-0.2 0.771 99.2 55.3 -56.7 -25.8 26.7 27.0 17.6 45 48 A G T << S+ 0 0 0 -4,-0.9 -33,-2.7 -3,-0.8 -1,-0.3 0.574 81.4 105.0 -86.7 -7.7 27.7 24.1 15.5 46 49 A M X - 0 0 4 -3,-2.4 3,-2.8 -4,-0.3 5,-0.3 -0.679 64.7-148.4 -78.4 110.1 31.1 23.8 17.2 47 50 A P G > S+ 0 0 55 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.834 94.5 58.7 -47.1 -44.5 31.0 20.8 19.6 48 51 A G G 3 S+ 0 0 29 206,-1.5 207,-0.1 1,-0.3 206,-0.1 0.587 96.7 67.8 -64.3 -6.1 33.3 22.2 22.1 49 52 A L G X S- 0 0 1 -3,-2.8 3,-0.8 205,-0.3 -1,-0.3 0.443 105.6-119.5 -95.3 -1.6 30.9 25.1 22.5 50 53 A N T < - 0 0 122 -3,-1.9 -2,-0.1 1,-0.2 -6,-0.1 0.944 63.7 -58.6 66.7 45.9 28.1 23.2 24.1 51 54 A G T 3 S+ 0 0 21 -5,-0.3 -1,-0.2 -7,-0.2 -7,-0.1 0.540 117.6 77.2 61.4 14.2 25.3 23.8 21.5 52 55 A T S < S- 0 0 28 -3,-0.8 2,-0.6 -6,-0.2 -1,-0.1 -0.991 88.3 -96.7-151.0 155.3 25.4 27.6 21.8 53 56 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 280,-0.1 -0.574 64.8 141.5 -71.1 116.3 27.4 30.6 20.7 54 57 A Q - 0 0 63 -2,-0.6 2,-0.4 111,-0.1 -2,-0.0 -0.995 41.1-148.8-157.2 159.2 29.6 31.4 23.6 55 58 A V + 0 0 29 -2,-0.3 3,-0.1 271,-0.1 109,-0.0 -0.972 19.2 166.0-134.6 115.7 33.1 32.5 24.5 56 59 A G - 0 0 34 1,-0.4 108,-0.2 -2,-0.4 2,-0.1 0.519 64.7 -10.1 -91.7-115.0 34.9 31.5 27.7 57 60 A E E -b 164 0B 130 106,-2.4 108,-2.9 103,-0.1 109,-1.2 -0.433 68.0-145.7 -83.6 162.0 38.6 32.2 27.9 58 61 A K E -b 166 0B 28 46,-0.4 48,-2.7 106,-0.2 2,-0.4 -0.980 15.0-177.7-131.9 139.9 40.6 33.4 24.9 59 62 A A E -bc 167 106B 1 107,-2.5 109,-2.3 -2,-0.4 2,-0.6 -0.995 18.1-153.6-141.0 145.3 44.1 32.7 23.8 60 63 A V E -bc 168 107B 0 46,-2.7 48,-3.1 -2,-0.4 2,-0.6 -0.958 16.9-154.9-114.8 115.1 46.5 33.8 21.0 61 64 A L E -bc 169 108B 0 107,-2.3 109,-2.1 -2,-0.6 2,-0.6 -0.783 6.8-160.7 -89.0 121.9 49.2 31.2 20.2 62 65 A V E -bc 170 109B 0 46,-4.2 48,-3.8 -2,-0.6 2,-0.6 -0.911 1.9-156.9-110.5 115.4 52.3 32.8 18.7 63 66 A M E -bc 171 110B 0 107,-2.4 109,-2.0 -2,-0.6 2,-0.4 -0.801 13.5-166.7 -93.6 119.3 54.6 30.4 16.8 64 67 A C E +bc 172 111B 0 46,-2.9 48,-2.8 -2,-0.6 49,-0.9 -0.896 20.4 135.7-113.0 138.2 58.2 31.7 16.6 65 68 A A E - c 0 113B 0 107,-2.4 49,-0.3 -2,-0.4 2,-0.2 -0.955 39.6-120.9-172.9 154.4 60.9 30.5 14.4 66 69 A D - 0 0 3 47,-2.4 65,-1.7 -2,-0.3 2,-0.4 -0.587 23.6-136.8 -99.8 163.4 63.8 31.5 12.1 67 70 A H B > -g 131 0C 2 107,-0.5 3,-1.8 63,-0.2 4,-0.2 -0.967 12.8-144.3-129.0 136.2 64.3 30.6 8.4 68 71 A G G > S+ 0 0 13 63,-0.9 3,-1.8 -2,-0.4 65,-0.3 0.837 97.9 72.5 -62.4 -29.8 67.3 29.5 6.5 69 72 A V G > >S+ 0 0 1 63,-0.4 3,-2.3 1,-0.3 5,-0.6 0.626 71.3 87.4 -62.5 -11.9 66.0 31.4 3.5 70 73 A W G X 5S+ 0 0 67 -3,-1.8 3,-1.5 1,-0.3 5,-0.5 0.863 79.1 64.7 -56.9 -30.7 66.8 34.7 5.2 71 74 A D G < 5S+ 0 0 107 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.574 83.4 74.7 -70.7 -6.6 70.3 34.4 3.7 72 75 A E G < 5S- 0 0 48 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.389 113.6-112.8 -84.2 2.5 68.8 34.7 0.2 73 76 A G T < 5S+ 0 0 48 -3,-1.5 -2,-0.1 -4,-0.1 -3,-0.1 0.785 78.4 131.9 71.8 28.4 68.3 38.4 0.9 74 77 A V < + 0 0 5 -5,-0.6 2,-0.4 -4,-0.3 -4,-0.1 0.471 62.0 56.8 -86.8 -5.0 64.5 38.2 0.9 75 78 A A - 0 0 20 -5,-0.5 -1,-0.1 -6,-0.1 4,-0.1 -0.986 52.9-167.2-136.9 130.6 64.2 40.1 4.2 76 79 A V + 0 0 86 -2,-0.4 -1,-0.1 124,-0.3 125,-0.1 0.680 68.5 94.5 -86.3 -16.8 65.4 43.6 5.4 77 80 A S S S- 0 0 31 123,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.580 88.5-107.4 -73.9 137.5 64.7 42.9 9.0 78 81 A P > - 0 0 73 0, 0.0 3,-2.7 0, 0.0 4,-0.4 -0.378 25.4-118.8 -67.1 137.2 67.8 41.7 10.9 79 82 A K T > S+ 0 0 41 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.806 109.2 61.5 -41.9 -46.8 67.6 38.0 11.8 80 83 A I T 3> S+ 0 0 109 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.555 78.9 86.2 -62.6 -13.2 67.8 38.6 15.5 81 84 A V H <> S+ 0 0 40 -3,-2.7 4,-2.8 1,-0.2 5,-0.4 0.892 83.5 59.6 -58.4 -33.9 64.6 40.5 15.5 82 85 A T H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.4 -1,-0.2 0.973 110.5 39.7 -56.0 -53.2 62.9 37.1 15.8 83 86 A A H > S+ 0 0 21 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.911 116.6 50.7 -62.8 -44.9 64.6 36.5 19.2 84 87 A I H X S+ 0 0 85 -4,-3.0 4,-2.1 1,-0.2 3,-0.3 0.977 113.6 43.3 -55.4 -58.9 64.3 40.1 20.3 85 88 A Q H X S+ 0 0 41 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.834 108.0 60.2 -57.0 -38.0 60.5 40.3 19.6 86 89 A A H X S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.4 -1,-0.2 0.941 107.2 45.6 -58.6 -42.7 60.0 36.9 21.1 87 90 A A H >X S+ 0 0 15 -4,-2.0 3,-1.4 -3,-0.3 4,-0.7 0.903 109.6 55.3 -65.3 -40.4 61.4 38.2 24.4 88 91 A N H >X>S+ 0 0 40 -4,-2.1 3,-1.2 1,-0.3 5,-1.2 0.866 95.6 66.0 -58.0 -37.6 59.2 41.3 24.0 89 92 A M H ><5S+ 0 0 7 -4,-2.5 3,-0.6 1,-0.3 -1,-0.3 0.822 98.6 55.9 -55.0 -27.5 56.2 39.1 23.7 90 93 A T H <<5S+ 0 0 57 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.740 105.0 49.7 -77.0 -25.3 57.0 38.2 27.3 91 94 A R H <<5S- 0 0 162 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.403 107.8-120.7 -94.4 2.9 56.9 41.8 28.5 92 95 A G T <<5S+ 0 0 39 -4,-0.6 -3,-0.2 -3,-0.6 -2,-0.1 0.654 79.9 117.0 68.2 20.0 53.5 42.6 26.9 93 96 A T < + 0 0 96 -5,-1.2 -4,-0.1 4,-0.1 2,-0.1 0.504 46.7 98.7 -96.7 -5.7 55.0 45.5 24.7 94 97 A T S > S- 0 0 5 -6,-0.4 4,-2.6 -9,-0.1 5,-0.2 -0.334 84.9-110.0 -78.5 164.6 54.3 44.0 21.2 95 98 A G H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.941 120.1 48.4 -60.2 -46.3 51.4 44.8 19.0 96 99 A V H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.923 111.8 51.3 -62.9 -35.9 49.7 41.4 19.5 97 100 A C H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 110.7 47.9 -62.3 -44.8 50.2 41.8 23.3 98 101 A V H X S+ 0 0 79 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.920 116.4 42.7 -64.6 -44.3 48.6 45.2 23.3 99 102 A L H X S+ 0 0 50 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.886 112.2 53.0 -72.7 -38.6 45.7 44.1 21.2 100 103 A A H X>S+ 0 0 1 -4,-3.2 5,-2.6 -5,-0.3 4,-0.7 0.944 108.5 50.5 -62.0 -46.8 45.2 40.8 23.1 101 104 A A H ><5S+ 0 0 65 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.869 107.3 53.9 -55.7 -41.2 45.1 42.7 26.4 102 105 A Q H 3<5S+ 0 0 161 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.845 113.8 43.0 -60.5 -36.4 42.5 45.0 24.9 103 106 A A H 3<5S- 0 0 13 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.396 114.6-117.4 -88.3 -4.2 40.4 41.9 24.0 104 107 A G T <<5 + 0 0 54 -3,-0.7 -46,-0.4 -4,-0.7 2,-0.2 0.765 68.7 138.7 71.0 25.8 41.1 40.2 27.3 105 108 A A < - 0 0 12 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.674 51.2-122.9-101.3 157.2 42.9 37.3 25.6 106 109 A K E -c 59 0B 52 -48,-2.7 -46,-2.7 -2,-0.2 2,-0.4 -0.865 18.8-138.6-104.3 130.6 46.1 35.6 26.8 107 110 A V E -c 60 0B 37 -2,-0.5 2,-0.5 -48,-0.2 -46,-0.2 -0.721 12.0-165.1 -89.4 131.5 49.1 35.4 24.6 108 111 A H E -c 61 0B 46 -48,-3.1 -46,-4.2 -2,-0.4 2,-0.6 -0.966 6.4-157.4-118.8 112.6 51.2 32.2 24.4 109 112 A V E -c 62 0B 11 -2,-0.5 14,-2.5 12,-0.2 2,-0.5 -0.825 12.3-169.9 -91.0 117.1 54.6 32.6 22.9 110 113 A I E -cd 63 123B 2 -48,-3.8 -46,-2.9 -2,-0.6 2,-0.8 -0.946 15.4-147.4-116.2 128.5 55.9 29.3 21.5 111 114 A D E +cd 64 124B 3 12,-3.7 14,-3.2 -2,-0.5 -46,-0.2 -0.848 28.5 160.8 -94.9 110.1 59.4 28.7 20.4 112 115 A V E S- 0 0 0 -48,-2.8 15,-2.0 -2,-0.8 16,-0.4 0.370 78.6 -18.6-107.2 -2.4 59.4 26.2 17.5 113 116 A G E S+c 65 0B 0 -49,-0.9 -47,-2.4 13,-0.2 17,-0.8 0.388 71.4 166.7 162.8 45.1 62.7 27.0 16.0 114 117 A I - 0 0 0 -49,-0.3 2,-1.6 -50,-0.2 59,-0.0 -0.527 38.6-129.1 -76.3 137.9 64.3 30.3 16.8 115 118 A D S S+ 0 0 73 14,-0.2 2,-0.3 -2,-0.2 -32,-0.1 -0.584 80.2 68.7 -89.1 74.3 68.0 30.6 15.9 116 119 A A S S- 0 0 19 -2,-1.6 3,-0.1 -33,-0.1 -2,-0.1 -0.965 95.3 -62.2-169.0 175.9 69.1 31.9 19.3 117 120 A E S S- 0 0 151 -2,-0.3 2,-0.1 1,-0.1 -3,-0.0 -0.285 73.7 -79.6 -67.6 162.0 69.6 30.7 22.9 118 121 A P - 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0 0 13 -4,-3.7 -1,-0.2 1,-0.1 5,-0.1 -0.595 33.7-108.1 -73.9 133.8 60.9 44.9 1.3 203 206 A P >> - 0 0 64 0, 0.0 3,-0.9 0, 0.0 4,-0.6 -0.315 23.8-117.1 -61.2 145.4 62.1 47.6 -1.1 204 207 A P G >4 S+ 0 0 87 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.787 113.0 59.2 -52.0 -33.3 60.6 47.4 -4.6 205 208 A S G >4 S+ 0 0 104 1,-0.2 3,-0.5 2,-0.1 4,-0.4 0.893 100.8 55.5 -62.4 -42.9 64.0 46.8 -6.2 206 209 A R G <> S+ 0 0 30 -3,-0.9 4,-1.5 1,-0.2 3,-0.3 0.592 84.8 86.9 -69.8 -13.0 64.5 43.6 -4.1 207 210 A I H S+ 0 0 135 -3,-0.5 4,-2.0 -4,-0.4 -1,-0.2 0.901 105.8 50.4 -43.4 -44.9 62.5 40.3 -8.4 209 212 A N H > S+ 0 0 66 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.3 0.926 105.0 56.1 -62.7 -40.1 64.9 38.4 -6.3 210 213 A K H X S+ 0 0 1 -4,-1.5 4,-2.1 -3,-0.5 -1,-0.2 0.872 107.5 50.3 -57.0 -39.1 62.3 37.3 -3.9 211 214 A V H X S+ 0 0 11 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.904 107.5 52.0 -68.5 -42.3 60.3 35.8 -6.7 212 215 A D H X S+ 0 0 40 -4,-2.0 4,-3.0 -5,-0.3 5,-0.2 0.932 108.0 53.2 -60.2 -44.2 63.2 33.9 -8.1 213 216 A V H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.954 109.8 48.0 -53.2 -54.0 63.8 32.4 -4.6 214 217 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.948 112.7 47.7 -53.4 -54.1 60.2 31.2 -4.4 215 218 A R H X S+ 0 0 109 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.928 112.6 50.0 -55.2 -44.1 60.4 29.6 -7.9 216 219 A R H X S+ 0 0 85 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.916 106.0 55.3 -57.8 -49.1 63.6 28.0 -7.0 217 220 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.924 113.2 43.4 -51.1 -44.7 62.3 26.6 -3.8 218 221 A I H X S+ 0 0 35 -4,-2.2 4,-3.5 -5,-0.2 -2,-0.2 0.946 112.0 49.1 -67.3 -53.0 59.6 25.0 -5.8 219 222 A A H < S+ 0 0 64 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.929 116.8 44.4 -53.5 -48.3 61.6 23.7 -8.7 220 223 A I H < S+ 0 0 96 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.899 121.7 34.8 -64.6 -46.4 64.1 22.1 -6.4 221 224 A N H < S- 0 0 14 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.755 81.0-155.7 -84.1 -33.6 61.7 20.6 -3.9 222 225 A Q < - 0 0 128 -4,-3.5 -3,-0.1 -5,-0.2 -4,-0.1 0.954 18.3-160.6 56.0 51.0 58.9 19.6 -6.0 223 226 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.403 16.6-120.9 -66.0 144.5 56.4 19.7 -3.3 224 227 A N > - 0 0 75 3,-0.2 3,-2.1 1,-0.1 7,-0.5 -0.773 14.5-155.0 -90.9 116.5 53.2 17.7 -3.9 225 228 A P T 3 S+ 0 0 63 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.696 93.4 58.6 -61.9 -22.2 50.2 20.0 -3.7 226 229 A R T 3 S+ 0 0 71 1,-0.2 2,-0.5 2,-0.1 -2,-0.0 0.535 99.3 65.0 -87.4 -3.2 48.0 17.2 -2.8 227 230 A D <> - 0 0 46 -3,-2.1 4,-2.4 1,-0.2 -3,-0.2 -0.787 62.2-175.6-124.1 87.9 50.1 16.4 0.2 228 231 A G H > S+ 0 0 1 -2,-0.5 4,-2.8 1,-0.3 5,-0.2 0.827 87.8 50.1 -49.4 -45.5 49.9 19.4 2.7 229 232 A I H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.951 110.4 52.0 -62.0 -42.8 52.4 17.8 5.1 230 233 A D H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.961 111.2 46.4 -55.7 -48.7 54.7 17.3 2.1 231 234 A V H X>S+ 0 0 0 -4,-2.4 4,-2.6 -7,-0.5 5,-0.5 0.936 112.9 49.8 -58.0 -49.6 54.3 20.9 1.1 232 235 A L H X5S+ 0 0 0 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.865 111.3 47.5 -57.5 -45.4 54.9 22.1 4.7 233 236 A S H <5S+ 0 0 7 -4,-2.7 -93,-2.0 -5,-0.2 -94,-0.8 0.839 119.4 39.1 -66.6 -35.2 58.0 20.1 5.2 234 237 A K H <5S+ 0 0 47 -4,-1.9 -95,-1.1 -5,-0.3 -2,-0.2 0.962 136.4 6.4 -82.2 -63.5 59.6 21.2 1.9 235 238 A V H <5S+ 0 0 0 -4,-2.6 -52,-0.3 -5,-0.2 -3,-0.2 0.218 116.5 77.6-113.2 15.0 58.8 24.8 1.3 236 239 A G << - 0 0 0 -4,-1.0 2,-0.3 -5,-0.5 -102,-0.2 0.220 69.2-125.3 -95.2-142.1 57.2 25.7 4.6 237 240 A G > - 0 0 0 1,-0.1 4,-2.9 -58,-0.1 5,-0.2 -0.981 27.4 -97.5-167.3 164.3 58.6 26.4 8.1 238 241 A F H > S+ 0 0 5 -172,-0.3 4,-2.5 -2,-0.3 5,-0.1 0.884 125.2 47.0 -55.1 -43.3 58.6 25.5 11.8 239 242 A D H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 110.8 50.1 -68.0 -38.6 56.2 28.4 12.4 240 243 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.912 111.9 50.5 -63.0 -43.1 53.9 27.5 9.4 241 244 A V H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.945 108.4 50.7 -60.4 -49.1 53.8 24.0 10.8 242 245 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.880 108.4 52.5 -56.9 -43.8 52.9 25.2 14.3 243 246 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.962 109.1 48.4 -58.0 -51.8 50.1 27.4 13.0 244 247 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.911 108.4 58.4 -52.3 -40.7 48.6 24.4 11.1 245 248 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.887 103.3 49.6 -57.5 -45.4 49.0 22.5 14.4 246 249 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.931 110.4 52.0 -59.2 -45.8 46.8 24.9 16.3 247 250 A M H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.881 112.2 43.6 -57.4 -47.4 44.2 24.6 13.6 248 251 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.868 114.4 52.2 -69.3 -37.6 44.2 20.8 13.8 249 252 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.942 111.7 43.3 -63.0 -49.6 44.3 20.9 17.6 250 253 A A H <>S+ 0 0 0 -4,-3.1 5,-4.3 2,-0.2 -1,-0.2 0.841 113.7 52.5 -64.5 -37.8 41.3 23.3 18.0 251 254 A A H ><5S+ 0 0 0 -4,-1.6 3,-1.3 -5,-0.3 -1,-0.2 0.930 109.7 47.7 -65.4 -44.4 39.3 21.4 15.3 252 255 A R H 3<5S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.879 112.0 50.4 -62.2 -40.1 39.9 18.1 17.1 253 256 A a T 3<5S- 0 0 26 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.436 118.2-118.2 -74.7 -4.5 38.9 19.8 20.3 254 257 A G T < 5S+ 0 0 1 -3,-1.3 -206,-1.5 1,-0.2 -205,-0.3 0.843 70.2 128.7 69.9 35.2 35.8 21.1 18.5 255 258 A L < - 0 0 8 -5,-4.3 -1,-0.2 -207,-0.1 2,-0.2 -0.847 57.8-102.8-125.5 163.3 36.6 24.7 18.9 256 259 A P - 0 0 3 0, 0.0 -89,-1.9 0, 0.0 2,-0.4 -0.524 25.0-162.3 -83.8 148.0 37.0 27.8 16.8 257 260 A V E -ef 167 282B 0 24,-1.8 26,-2.3 -2,-0.2 2,-0.5 -0.994 11.7-141.9-130.1 132.7 40.2 29.5 15.6 258 261 A L E -ef 168 283B 1 -91,-2.9 -89,-1.7 -2,-0.4 60,-0.1 -0.822 19.5-141.9 -95.3 127.1 40.6 33.0 14.3 259 262 A L - 0 0 0 24,-2.6 27,-0.1 -2,-0.5 -89,-0.0 -0.250 10.9-159.4 -74.8 173.3 43.0 33.3 11.5 260 263 A D - 0 0 4 1,-0.4 26,-0.7 25,-0.1 25,-0.4 0.368 42.6 -40.5-116.9-105.6 45.4 36.3 11.2 261 264 A G S > S- 0 0 8 26,-0.1 4,-2.4 24,-0.1 3,-0.4 -0.116 82.2 -49.5-110.8-154.6 47.0 37.4 8.0 262 265 A F H > S+ 0 0 6 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.825 130.6 53.9 -54.0 -41.9 48.7 36.0 4.9 263 266 A L H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.928 111.6 47.2 -61.5 -40.0 51.0 33.7 6.8 264 267 A S H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.854 106.9 55.1 -70.2 -34.8 48.0 32.3 8.5 265 268 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.941 105.9 55.0 -62.9 -40.4 46.1 31.9 5.3 266 269 A S H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.924 110.3 43.7 -53.3 -50.8 49.1 29.9 4.2 267 270 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.826 109.7 58.9 -66.1 -30.8 48.8 27.5 7.2 268 271 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.920 102.9 50.5 -65.3 -43.5 45.1 27.4 6.7 269 272 A L H X S+ 0 0 15 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.911 111.9 49.1 -57.5 -45.0 45.4 26.0 3.1 270 273 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.955 111.2 48.9 -63.0 -48.1 47.8 23.4 4.4 271 274 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 7,-0.2 0.925 112.5 48.0 -58.5 -43.1 45.4 22.5 7.2 272 275 A C H < S+ 0 0 24 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.847 110.8 51.1 -68.2 -30.6 42.5 22.2 4.9 273 276 A Q H < S+ 0 0 89 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.875 114.2 44.8 -71.7 -38.1 44.5 20.1 2.5 274 277 A I H < S+ 0 0 35 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.877 137.4 1.5 -71.4 -41.9 45.4 17.9 5.3 275 278 A A >< - 0 0 7 -4,-3.0 3,-2.4 -5,-0.2 4,-0.3 -0.765 54.8-168.1-153.9 99.9 41.9 17.6 6.8 276 279 A P G > S+ 0 0 96 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.769 86.0 78.8 -58.7 -26.3 39.0 19.4 5.2 277 280 A A G 3 S+ 0 0 44 1,-0.3 4,-0.2 2,-0.1 -5,-0.1 0.658 83.7 67.5 -56.7 -13.8 37.2 18.6 8.4 278 281 A V G X> S+ 0 0 0 -3,-2.4 3,-2.4 -7,-0.2 4,-0.7 0.859 78.8 81.2 -74.2 -34.7 39.1 21.6 9.7 279 282 A R G X4 S+ 0 0 74 -3,-1.9 3,-1.8 -4,-0.3 -1,-0.2 0.828 82.7 55.6 -38.7 -62.0 37.4 24.1 7.6 280 283 A P G 34 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.602 104.9 55.7 -56.6 -12.8 34.2 24.7 9.5 281 284 A Y G <4 S+ 0 0 2 -3,-2.4 -24,-1.8 -4,-0.2 -2,-0.2 0.710 88.1 97.6 -91.9 -19.6 36.2 25.6 12.7 282 285 A L E << -f 257 0B 0 -3,-1.8 -24,-0.2 -4,-0.7 -35,-0.0 -0.440 52.1-169.9 -72.9 138.7 38.2 28.3 10.9 283 286 A I E -f 258 0B 0 -26,-2.3 -24,-2.6 -2,-0.2 19,-0.0 -0.965 17.4-134.3-136.6 114.9 37.2 32.0 11.2 284 287 A P - 0 0 8 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.236 19.4-175.3 -60.0 154.2 38.8 34.8 9.1 285 288 A S - 0 0 0 1,-0.5 21,-2.1 -25,-0.4 20,-1.3 0.638 53.6 -11.8-113.0 -81.1 39.8 38.0 10.9 286 289 A H B -h 306 0D 5 -26,-0.7 2,-0.8 19,-0.2 -1,-0.5 -0.675 64.1-102.6-121.7 175.8 41.1 40.7 8.6 287 290 A F - 0 0 68 19,-2.2 22,-0.6 -2,-0.2 23,-0.3 -0.858 42.0-135.0-105.4 101.3 42.1 41.2 5.1 288 291 A S - 0 0 8 -2,-0.8 23,-0.2 -28,-0.2 5,-0.2 -0.202 7.5-134.4 -55.7 139.4 45.9 41.4 5.0 289 292 A A S S+ 0 0 52 21,-2.5 22,-0.1 4,-0.1 -1,-0.1 0.560 70.4 118.9 -73.3 -4.8 47.6 44.1 3.0 290 293 A E S > S- 0 0 15 20,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.405 73.6-123.8 -63.8 134.2 50.0 41.3 1.5 291 294 A K T 3 S+ 0 0 128 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.794 107.7 54.3 -46.8 -44.3 49.7 41.0 -2.3 292 295 A G T 3> S+ 0 0 0 -97,-0.5 4,-2.3 1,-0.2 -1,-0.3 0.413 81.4 99.8 -77.9 2.9 48.9 37.3 -2.3 293 296 A A H <> S+ 0 0 1 -3,-2.1 4,-2.9 1,-0.2 5,-0.3 0.932 77.8 47.3 -57.6 -53.1 45.9 37.8 0.1 294 297 A R H > S+ 0 0 60 -3,-0.5 4,-2.0 -4,-0.3 -1,-0.2 0.916 113.5 49.2 -57.7 -41.6 43.0 37.8 -2.3 295 298 A I H > S+ 0 0 43 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.962 113.1 46.8 -60.9 -49.1 44.2 34.7 -4.1 296 299 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.889 112.5 47.5 -60.5 -45.4 44.7 32.9 -0.8 297 300 A L H X>S+ 0 0 5 -4,-2.9 5,-2.8 1,-0.2 4,-0.9 0.824 108.0 58.0 -66.4 -31.5 41.3 33.9 0.7 298 301 A A H <5S+ 0 0 63 -4,-2.0 3,-0.3 -5,-0.3 -1,-0.2 0.928 106.9 46.4 -64.0 -44.1 39.6 32.9 -2.6 299 302 A H H <5S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.820 115.1 47.2 -67.5 -29.2 41.0 29.4 -2.3 300 303 A L H <5S- 0 0 10 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.635 106.9-134.3 -82.3 -16.4 39.9 29.3 1.3 301 304 A S T <5 + 0 0 105 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.895 56.8 141.9 62.8 41.1 36.6 30.7 0.2 302 305 A M < - 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