==== 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 07-MAR-02 1L5O . COMPND 2 MOLECULE: NICOTINATE-NUCLEOTIDE--DIMETHYLBENZIMIDAZOLE . 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) . 12931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 72.8 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 . 20 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 37.9 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 2 0 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 64 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -29.3 48.5 11.8 14.0 2 5 A H H > + 0 0 83 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.878 360.0 49.9 -65.2 -37.0 46.2 9.5 11.9 3 6 A A H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 107.6 54.5 -66.6 -43.1 44.0 9.2 15.0 4 7 A L H 4 S+ 0 0 30 1,-0.2 3,-0.3 2,-0.2 -2,-0.2 0.964 111.5 42.9 -54.3 -56.7 43.9 12.9 15.4 5 8 A L H >< S+ 0 0 46 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.884 112.8 53.4 -59.1 -41.7 42.7 13.6 11.9 6 9 A R H 3< S+ 0 0 176 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.838 107.0 52.4 -63.6 -34.8 40.2 10.7 12.0 7 10 A D T 3< S+ 0 0 63 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.264 71.5 124.7 -90.4 11.9 38.6 12.0 15.2 8 11 A I < - 0 0 16 -3,-1.1 244,-0.2 -4,-0.2 2,-0.1 -0.598 63.4-124.1 -70.9 125.4 37.9 15.6 14.2 9 12 A P - 0 0 38 0, 0.0 245,-0.1 0, 0.0 -1,-0.1 -0.372 11.9-122.5 -74.6 149.7 34.2 16.0 14.8 10 13 A A - 0 0 77 1,-0.1 267,-0.0 -2,-0.1 268,-0.0 -0.514 44.4 -88.3 -81.1 156.4 31.6 17.1 12.2 11 14 A P - 0 0 56 0, 0.0 2,-1.1 0, 0.0 35,-0.2 -0.346 42.3-109.2 -65.7 149.7 29.6 20.3 13.0 12 15 A D > - 0 0 63 33,-2.8 4,-1.8 1,-0.2 5,-0.1 -0.681 30.9-174.0 -85.9 99.0 26.4 19.7 14.9 13 16 A A H > S+ 0 0 76 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.796 82.1 58.7 -63.3 -28.7 23.5 20.4 12.5 14 17 A E H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 107.3 44.6 -67.3 -46.0 20.9 20.1 15.3 15 18 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.855 112.0 54.2 -66.5 -34.5 22.4 22.8 17.4 16 19 A M H X S+ 0 0 53 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.879 107.3 49.6 -68.5 -37.2 22.8 25.0 14.3 17 20 A A H X S+ 0 0 65 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.925 111.6 48.6 -67.0 -44.7 19.1 24.7 13.4 18 21 A R H X S+ 0 0 130 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.919 112.3 49.9 -61.6 -40.6 18.1 25.6 16.9 19 22 A T H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.927 109.0 50.9 -63.7 -44.7 20.4 28.6 16.8 20 23 A Q H X S+ 0 0 73 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.920 109.5 50.1 -60.2 -44.5 19.0 29.8 13.5 21 24 A Q H X S+ 0 0 67 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.908 111.3 49.6 -61.1 -39.6 15.4 29.6 14.7 22 25 A H H < S+ 0 0 64 -4,-2.0 3,-0.4 1,-0.2 4,-0.3 0.901 110.3 49.7 -65.5 -41.9 16.4 31.6 17.8 23 26 A I H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.872 105.2 57.6 -65.5 -38.6 18.1 34.3 15.8 24 27 A D H 3< S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.800 105.4 52.1 -64.9 -26.0 15.2 34.7 13.5 25 28 A G T 3< S+ 0 0 27 -4,-1.0 313,-2.6 -3,-0.4 314,-0.4 0.453 85.1 111.9 -90.4 -0.4 12.9 35.5 16.4 26 29 A L B < S-A 337 0A 0 -3,-1.3 2,-2.4 -4,-0.3 311,-0.3 -0.287 88.5 -81.8 -72.6 161.8 15.1 38.2 17.9 27 30 A L S S+ 0 0 70 309,-2.7 -1,-0.1 311,-0.0 309,-0.1 -0.318 100.3 71.0 -65.7 73.4 14.0 41.9 18.0 28 31 A K S S- 0 0 17 -2,-2.4 310,-0.1 -4,-0.2 3,-0.1 -0.957 95.0 -73.7-174.5 160.9 15.1 42.9 14.4 29 32 A P S > S- 0 0 84 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.470 70.8 -88.4 -65.3 138.9 14.0 42.3 10.8 30 33 A P T 3 S+ 0 0 83 0, 0.0 -6,-0.1 0, 0.0 -5,-0.0 -0.214 110.2 7.3 -51.9 134.5 15.1 38.8 9.9 31 34 A G T > S+ 0 0 42 -8,-0.1 3,-1.9 -3,-0.1 6,-0.1 0.346 90.6 124.8 76.2 -3.2 18.6 38.5 8.5 32 35 A S T < + 0 0 63 -3,-2.2 3,-0.1 1,-0.3 -1,-0.1 0.676 65.9 56.9 -65.9 -19.6 19.4 42.2 9.3 33 36 A L T >> S- 0 0 69 1,-0.2 3,-2.1 -4,-0.2 4,-0.6 0.258 88.2-175.3 -94.2 14.9 22.5 41.5 11.5 34 37 A G H X> + 0 0 36 -3,-1.9 4,-1.6 1,-0.3 3,-1.0 0.040 62.3 13.0 38.5-117.3 24.0 39.7 8.5 35 38 A R H 3> S+ 0 0 111 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.659 121.5 65.7 -67.3 -16.7 27.4 38.0 9.0 36 39 A L H <> S+ 0 0 47 -3,-2.1 4,-1.7 2,-0.2 -1,-0.3 0.874 104.6 46.6 -69.5 -35.5 27.0 38.4 12.8 37 40 A E H < S+ 0 0 42 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.935 110.8 47.3 -56.9 -48.6 28.7 28.7 12.8 43 46 A L H >< S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.2 6,-0.2 0.901 105.2 59.5 -59.7 -42.8 29.8 28.8 16.5 44 47 A A H 3< S+ 0 0 1 -4,-2.1 7,-0.3 1,-0.3 -1,-0.2 0.788 100.6 57.5 -58.8 -28.3 26.7 26.9 17.7 45 48 A G T << S+ 0 0 0 -4,-1.3 -33,-2.8 -3,-0.6 -1,-0.3 0.584 80.8 100.3 -79.6 -9.6 27.7 24.0 15.5 46 49 A M X - 0 0 2 -3,-1.8 3,-2.4 -4,-0.4 5,-0.3 -0.674 68.3-145.7 -81.6 113.4 31.1 23.6 17.1 47 50 A P G > S+ 0 0 53 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.755 93.6 63.1 -48.8 -33.4 30.9 20.7 19.6 48 51 A G G 3 S+ 0 0 27 206,-2.1 207,-0.2 1,-0.3 206,-0.1 0.650 95.1 63.1 -68.9 -13.4 33.3 22.2 22.1 49 52 A L G X S- 0 0 1 -3,-2.4 3,-0.8 205,-0.5 -1,-0.3 0.326 107.6-121.2 -93.2 4.7 31.0 25.1 22.6 50 53 A N T < - 0 0 127 -3,-1.4 -2,-0.1 1,-0.2 -6,-0.1 0.916 65.0 -54.9 58.4 47.4 28.2 23.0 24.0 51 54 A G T 3 S+ 0 0 18 -5,-0.3 -1,-0.2 -7,-0.3 -7,-0.1 0.561 118.3 74.7 67.9 14.5 25.4 23.8 21.5 52 55 A T S < S- 0 0 32 -3,-0.8 2,-0.6 -6,-0.2 -1,-0.1 -0.997 87.8 -98.9-153.8 149.6 25.4 27.5 21.8 53 56 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 280,-0.1 -0.612 63.6 143.1 -73.5 117.4 27.5 30.5 20.7 54 57 A Q - 0 0 68 -2,-0.6 2,-0.4 111,-0.1 -2,-0.1 -0.986 39.1-149.0-151.3 156.4 29.6 31.4 23.7 55 58 A V + 0 0 34 -2,-0.3 3,-0.1 271,-0.1 109,-0.1 -0.994 20.1 165.4-132.1 124.0 33.1 32.5 24.6 56 59 A G - 0 0 34 1,-0.4 108,-0.2 -2,-0.4 2,-0.2 0.441 63.6 -5.4-101.1-116.8 34.9 31.6 27.7 57 60 A E E -b 164 0B 122 106,-2.0 108,-2.6 103,-0.1 109,-1.3 -0.518 69.1-146.8 -80.6 152.1 38.7 32.2 28.0 58 61 A K E -b 166 0B 25 46,-0.5 48,-2.4 106,-0.2 2,-0.4 -0.942 15.1-177.3-122.9 140.5 40.6 33.4 25.0 59 62 A A E -bc 167 106B 0 107,-2.2 109,-1.9 -2,-0.4 2,-0.5 -0.999 16.9-155.6-139.2 138.9 44.1 32.7 23.9 60 63 A V E -bc 168 107B 0 46,-2.7 48,-3.0 -2,-0.4 2,-0.6 -0.964 15.5-155.0-110.4 124.5 46.4 33.8 21.0 61 64 A L E -bc 169 108B 0 107,-2.6 109,-2.4 -2,-0.5 2,-0.6 -0.907 6.9-162.2-102.2 118.9 49.2 31.3 20.2 62 65 A V E -bc 170 109B 0 46,-2.9 48,-2.8 -2,-0.6 2,-0.6 -0.891 4.4-154.0-107.5 114.3 52.2 32.9 18.6 63 66 A M E -bc 171 110B 0 107,-2.9 109,-1.9 -2,-0.6 2,-0.4 -0.772 13.6-165.8 -93.5 120.1 54.5 30.5 16.8 64 67 A C E +bc 172 111B 0 46,-3.0 48,-2.6 -2,-0.6 49,-1.0 -0.891 20.7 136.4-111.9 133.4 58.1 31.8 16.5 65 68 A A E - c 0 113B 0 107,-2.0 49,-0.3 -2,-0.4 2,-0.2 -0.985 39.7-120.5-166.6 157.3 60.9 30.5 14.3 66 69 A D - 0 0 3 47,-2.4 65,-1.8 -2,-0.3 2,-0.4 -0.649 22.9-139.4-102.9 162.1 63.8 31.5 12.0 67 70 A H B > -g 131 0C 2 107,-0.5 3,-1.7 63,-0.3 4,-0.3 -0.970 12.6-145.6-127.4 132.7 64.2 30.6 8.4 68 71 A G G > S+ 0 0 13 63,-1.0 3,-1.9 -2,-0.4 65,-0.3 0.818 97.6 71.1 -63.1 -27.8 67.3 29.6 6.5 69 72 A V G > >S+ 0 0 3 63,-0.4 3,-2.2 1,-0.3 5,-0.6 0.610 73.0 85.6 -66.6 -10.3 66.0 31.5 3.4 70 73 A W G X 5S+ 0 0 71 -3,-1.7 3,-1.7 1,-0.3 5,-0.4 0.880 80.4 66.1 -56.3 -33.0 66.7 34.8 5.2 71 74 A D G < 5S+ 0 0 117 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.668 84.3 71.7 -64.7 -14.8 70.2 34.3 3.7 72 75 A E G < 5S- 0 0 53 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.385 114.7-111.1 -82.7 5.8 68.8 34.7 0.2 73 76 A G T < 5S+ 0 0 46 -3,-1.7 -2,-0.1 -4,-0.1 137,-0.1 0.775 77.5 132.9 72.4 27.7 68.3 38.5 0.9 74 77 A V < + 0 0 3 -5,-0.6 2,-0.3 -4,-0.3 -4,-0.1 0.406 62.4 49.6 -89.5 -0.4 64.5 38.2 0.8 75 78 A A - 0 0 21 -5,-0.4 4,-0.1 1,-0.1 -2,-0.1 -0.999 57.9-157.9-141.1 142.0 63.9 40.2 4.1 76 79 A V + 0 0 80 -2,-0.3 -1,-0.1 124,-0.3 125,-0.1 0.595 67.5 97.4 -94.6 -13.0 65.3 43.6 5.3 77 80 A S S S- 0 0 28 123,-0.1 -2,-0.1 1,-0.1 123,-0.0 -0.563 86.7-105.7 -77.0 138.9 64.7 43.0 9.0 78 81 A P > - 0 0 78 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.353 28.4-122.4 -60.3 143.0 67.8 41.8 10.9 79 82 A K T > S+ 0 0 41 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.849 107.5 67.1 -57.5 -35.5 67.5 38.1 11.7 80 83 A I T 3> S+ 0 0 109 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.661 77.3 85.1 -62.7 -15.2 67.9 38.7 15.4 81 84 A V H <> S+ 0 0 40 -3,-1.9 4,-3.0 1,-0.2 5,-0.3 0.868 82.6 59.9 -56.7 -33.3 64.6 40.5 15.4 82 85 A T H <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.3 -1,-0.2 0.956 109.9 41.0 -58.5 -49.5 62.8 37.2 15.8 83 86 A A H > S+ 0 0 15 -4,-0.4 4,-1.7 -3,-0.3 -2,-0.2 0.903 117.2 48.2 -64.2 -44.3 64.6 36.5 19.1 84 87 A I H X S+ 0 0 83 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.945 114.2 45.2 -62.5 -49.6 64.3 40.1 20.4 85 88 A Q H X S+ 0 0 42 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.823 107.6 58.7 -64.9 -33.9 60.5 40.3 19.6 86 89 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.921 108.3 45.8 -63.9 -40.7 59.9 36.9 21.1 87 90 A A H >< S+ 0 0 14 -4,-1.7 3,-1.1 1,-0.2 4,-0.5 0.895 108.1 56.6 -67.6 -38.3 61.3 38.2 24.4 88 91 A N H >X>S+ 0 0 34 -4,-2.0 5,-1.4 1,-0.3 3,-1.2 0.824 96.8 65.3 -61.3 -28.4 59.2 41.4 24.1 89 92 A M H ><5S+ 0 0 8 -4,-1.5 3,-0.6 1,-0.3 -1,-0.3 0.840 97.7 53.6 -61.5 -33.0 56.2 39.1 23.8 90 93 A T T <<5S+ 0 0 66 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.596 107.8 52.0 -78.1 -10.1 56.9 38.1 27.4 91 94 A R T <45S- 0 0 158 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.447 107.1-124.0-103.0 -6.1 56.9 41.7 28.5 92 95 A G T <<5S+ 0 0 41 -3,-0.6 -3,-0.2 -4,-0.6 -2,-0.1 0.684 77.8 115.0 71.8 22.3 53.6 42.7 26.9 93 96 A T < + 0 0 97 -5,-1.4 -4,-0.1 4,-0.1 2,-0.1 0.445 48.6 97.8-101.9 -1.7 54.9 45.5 24.8 94 97 A T S > S- 0 0 5 -6,-0.5 4,-2.4 -9,-0.1 5,-0.2 -0.358 85.4-104.9 -84.9 168.8 54.3 44.1 21.3 95 98 A G H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 120.4 45.0 -57.2 -48.8 51.4 44.7 19.0 96 99 A V H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.885 111.5 55.4 -66.6 -32.9 49.6 41.4 19.6 97 100 A C H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.943 110.1 44.3 -61.7 -48.4 50.2 41.8 23.4 98 101 A V H X S+ 0 0 80 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.908 117.4 44.5 -64.5 -43.1 48.5 45.2 23.5 99 102 A L H X S+ 0 0 52 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.872 112.4 51.5 -71.3 -34.5 45.6 44.1 21.3 100 103 A A H X>S+ 0 0 1 -4,-2.8 5,-2.9 -5,-0.2 4,-0.7 0.907 107.6 54.0 -67.2 -38.5 45.1 40.8 23.1 101 104 A A H ><5S+ 0 0 71 -4,-2.2 3,-0.8 -5,-0.2 -1,-0.2 0.891 106.2 52.3 -61.6 -38.4 45.0 42.8 26.4 102 105 A Q H 3<5S+ 0 0 166 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 113.0 44.7 -66.0 -33.6 42.2 44.9 25.0 103 106 A A H 3<5S- 0 0 9 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.465 115.0-115.3 -89.5 -2.1 40.3 41.8 24.1 104 107 A G T <<5 + 0 0 48 -3,-0.8 -46,-0.5 -4,-0.7 2,-0.3 0.810 69.7 138.4 72.1 30.3 40.9 40.1 27.4 105 108 A A < - 0 0 14 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.3 -0.775 50.0-128.8-108.4 152.8 42.9 37.3 25.8 106 109 A K E -c 59 0B 51 -48,-2.4 -46,-2.7 -2,-0.3 2,-0.5 -0.801 18.4-136.8 -99.2 142.4 46.2 35.7 27.0 107 110 A V E -c 60 0B 37 -2,-0.4 2,-0.6 -48,-0.2 -46,-0.2 -0.849 11.5-162.8-101.1 130.2 49.1 35.4 24.7 108 111 A H E -c 61 0B 43 -48,-3.0 -46,-2.9 -2,-0.5 2,-0.6 -0.972 9.0-155.6-111.4 117.3 51.1 32.2 24.6 109 112 A V E -c 62 0B 10 -2,-0.6 14,-2.9 12,-0.3 2,-0.5 -0.843 12.4-170.9 -97.0 121.4 54.6 32.6 23.0 110 113 A I E -cd 63 123B 0 -48,-2.8 -46,-3.0 -2,-0.6 2,-0.8 -0.950 16.7-150.0-120.1 125.6 55.9 29.4 21.6 111 114 A D E +cd 64 124B 4 12,-3.1 14,-2.4 -2,-0.5 -46,-0.2 -0.819 25.9 163.0 -91.1 111.5 59.5 28.9 20.2 112 115 A V E S- 0 0 0 -48,-2.6 15,-2.0 -2,-0.8 16,-0.4 0.375 80.9 -17.3-108.3 3.0 59.2 26.3 17.5 113 116 A G E S+c 65 0B 0 -49,-1.0 -47,-2.4 13,-0.3 17,-1.0 0.411 71.8 166.2 163.5 41.3 62.6 27.1 16.0 114 117 A I - 0 0 0 -50,-0.3 2,-1.5 -49,-0.3 16,-0.0 -0.491 38.2-129.2 -73.1 140.0 64.3 30.5 16.8 115 118 A D S S+ 0 0 68 14,-0.2 2,-0.3 -2,-0.2 -32,-0.1 -0.566 79.9 66.8 -89.8 72.2 68.0 30.7 15.8 116 119 A A S S- 0 0 23 -2,-1.5 3,-0.1 -34,-0.1 14,-0.1 -0.946 97.7 -58.9-169.6 175.9 69.3 31.9 19.2 117 120 A E S S- 0 0 149 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.350 73.9 -80.7 -67.3 153.5 69.7 30.7 22.8 118 121 A P - 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0 0 10 -4,-3.2 -1,-0.2 1,-0.1 5,-0.1 -0.526 38.3-105.5 -68.8 133.8 61.0 44.9 1.4 203 206 A P > - 0 0 65 0, 0.0 3,-2.5 0, 0.0 4,-0.4 -0.359 23.5-119.0 -61.7 140.4 62.1 47.6 -1.2 204 207 A P G > S+ 0 0 86 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.822 112.4 62.2 -50.4 -34.2 60.3 47.4 -4.5 205 208 A S G 3 S+ 0 0 110 1,-0.2 4,-0.2 2,-0.1 3,-0.2 0.667 100.5 52.6 -68.9 -16.3 63.7 46.8 -6.2 206 209 A R G <> S+ 0 0 27 -3,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.436 82.5 90.1 -98.4 -0.6 64.2 43.5 -4.3 207 210 A I H <> S+ 0 0 33 -3,-1.2 4,-2.5 -4,-0.4 5,-0.2 0.891 80.0 59.9 -61.6 -41.6 60.9 41.9 -5.2 208 211 A D H > S+ 0 0 134 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.905 105.7 47.8 -53.6 -46.0 62.3 40.3 -8.4 209 212 A N H > S+ 0 0 64 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 109.5 52.8 -62.9 -44.2 64.9 38.4 -6.3 210 213 A K H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.912 109.8 48.8 -59.7 -40.1 62.2 37.3 -3.8 211 214 A V H X S+ 0 0 13 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.926 110.1 51.8 -65.2 -42.9 60.1 35.9 -6.7 212 215 A D H X S+ 0 0 36 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.898 109.1 51.2 -58.1 -43.4 63.1 34.1 -8.1 213 216 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.895 108.2 50.6 -63.1 -42.3 63.7 32.5 -4.7 214 217 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.940 111.3 48.5 -62.9 -45.4 60.2 31.3 -4.4 215 218 A R H X S+ 0 0 114 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.899 111.2 49.9 -62.1 -40.4 60.3 29.7 -7.9 216 219 A R H X S+ 0 0 92 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.911 107.3 55.3 -64.6 -40.3 63.6 28.0 -7.1 217 220 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.910 112.3 42.3 -57.6 -44.8 62.2 26.6 -3.9 218 221 A I H X S+ 0 0 36 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.914 115.1 49.2 -70.0 -43.2 59.4 25.0 -5.7 219 222 A A H < S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.941 116.1 42.6 -62.3 -47.8 61.5 23.7 -8.6 220 223 A I H < S+ 0 0 95 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.893 123.0 35.7 -68.0 -41.5 64.1 22.2 -6.4 221 224 A N H < S- 0 0 17 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.740 82.7-155.0 -87.0 -23.8 61.8 20.6 -3.8 222 225 A Q < - 0 0 132 -4,-2.5 -3,-0.1 -5,-0.2 -4,-0.1 0.933 18.4-159.0 48.0 56.1 58.9 19.6 -6.1 223 226 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.400 16.3-121.5 -68.4 140.7 56.3 19.6 -3.3 224 227 A N > - 0 0 79 3,-0.2 3,-2.4 1,-0.1 7,-0.4 -0.747 14.8-154.5 -85.6 109.9 53.1 17.6 -3.9 225 228 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.712 93.4 59.0 -53.8 -25.5 50.1 20.0 -3.8 226 229 A R T 3 S+ 0 0 68 1,-0.2 2,-0.5 2,-0.0 -2,-0.0 0.499 98.3 64.3 -85.6 -4.8 47.8 17.1 -2.8 227 230 A D <> - 0 0 43 -3,-2.4 4,-2.0 1,-0.1 3,-0.2 -0.867 63.3-171.1-122.2 95.6 49.9 16.3 0.3 228 231 A G H > S+ 0 0 1 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.826 87.9 52.2 -55.6 -36.1 49.8 19.2 2.8 229 232 A I H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.909 107.1 53.3 -69.0 -38.6 52.4 17.7 5.0 230 233 A D H > S+ 0 0 24 -3,-0.2 4,-2.0 1,-0.2 5,-0.2 0.923 111.1 46.5 -60.4 -42.6 54.8 17.3 2.0 231 234 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 -7,-0.4 5,-0.4 0.926 112.5 49.4 -66.4 -45.6 54.3 21.0 1.1 232 235 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.924 113.9 45.2 -60.4 -45.0 54.8 22.2 4.7 233 236 A S H < S+ 0 0 5 -4,-2.6 -93,-2.0 -5,-0.2 -94,-0.9 0.855 119.9 40.2 -70.6 -32.1 58.0 20.2 5.2 234 237 A K H < S+ 0 0 49 -4,-2.0 -95,-0.8 -5,-0.3 -2,-0.2 0.956 135.6 7.3 -83.4 -51.8 59.5 21.1 1.8 235 238 A V H < S+ 0 0 0 -4,-2.4 -52,-0.3 -5,-0.2 -53,-0.2 0.191 114.3 77.6-120.2 19.4 58.7 24.8 1.3 236 239 A G < - 0 0 0 -4,-1.3 2,-0.3 -5,-0.4 -102,-0.2 0.154 67.8-127.7-100.5-142.1 57.2 25.9 4.6 237 240 A G > - 0 0 0 1,-0.1 4,-2.2 -58,-0.1 5,-0.2 -0.961 29.4 -96.3-164.7 167.7 58.8 26.6 8.0 238 241 A F H > S+ 0 0 4 -172,-0.3 4,-2.6 -2,-0.3 5,-0.1 0.871 122.8 52.0 -63.5 -37.8 58.5 25.7 11.7 239 242 A D H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 110.6 48.0 -64.7 -42.5 56.3 28.6 12.5 240 243 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.902 111.9 48.9 -65.0 -39.7 53.9 27.7 9.6 241 244 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.924 109.6 54.1 -64.0 -43.0 53.8 24.1 10.7 242 245 A G H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.908 107.1 49.4 -58.3 -43.9 53.0 25.3 14.2 243 246 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.890 109.1 52.5 -63.1 -38.1 50.1 27.4 13.0 244 247 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.903 107.0 55.0 -63.0 -39.3 48.7 24.4 11.1 245 248 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.849 103.7 52.5 -61.4 -38.4 49.0 22.5 14.3 246 249 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.924 110.4 49.4 -64.8 -41.8 46.9 25.0 16.3 247 250 A M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.915 112.6 45.6 -64.9 -42.1 44.2 24.7 13.6 248 251 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.903 114.9 49.5 -67.1 -38.4 44.2 20.8 13.7 249 252 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.906 110.8 47.1 -67.4 -43.8 44.2 20.8 17.5 250 253 A A H <>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 4,-0.2 0.914 113.0 50.3 -65.5 -40.8 41.3 23.3 17.9 251 254 A A H ><5S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.2 -2,-0.2 0.918 109.3 50.1 -62.5 -43.5 39.3 21.4 15.3 252 255 A R H 3<5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.888 112.1 49.7 -58.7 -38.3 39.9 18.0 17.1 253 256 A a T 3<5S- 0 0 27 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.425 115.3-121.2 -77.9 -5.9 38.8 19.8 20.2 254 257 A G T < 5 + 0 0 1 -3,-1.6 -206,-2.1 1,-0.2 -205,-0.5 0.773 69.3 129.1 67.5 31.7 35.7 21.1 18.4 255 258 A L < - 0 0 7 -5,-2.8 -1,-0.2 -207,-0.2 2,-0.1 -0.834 59.6-101.2-121.8 154.8 36.6 24.7 19.0 256 259 A P - 0 0 3 0, 0.0 -89,-2.3 0, 0.0 2,-0.4 -0.411 26.3-163.1 -76.3 147.8 36.9 27.9 16.9 257 260 A V E -ef 167 282B 0 24,-2.4 26,-2.4 -91,-0.2 2,-0.5 -0.994 11.0-143.8-131.0 125.5 40.2 29.4 15.7 258 261 A L E -ef 168 283B 0 -91,-3.1 -89,-1.9 -2,-0.4 60,-0.1 -0.768 17.4-141.3 -90.3 128.7 40.6 32.9 14.4 259 262 A L - 0 0 1 24,-2.7 27,-0.2 -2,-0.5 -89,-0.0 -0.332 12.5-161.3 -78.1 169.9 43.0 33.3 11.5 260 263 A D - 0 0 1 1,-0.4 26,-0.5 25,-0.1 25,-0.4 0.307 41.6 -40.7-117.5-113.7 45.3 36.4 11.3 261 264 A G S > S- 0 0 7 26,-0.1 4,-1.8 24,-0.1 -1,-0.4 -0.032 84.1 -45.7-104.7-149.4 47.1 37.5 8.1 262 265 A F H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.837 129.7 52.3 -52.3 -45.2 48.9 36.1 5.1 263 266 A L H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 110.1 49.8 -60.9 -43.3 51.1 33.7 7.0 264 267 A S H > S+ 0 0 2 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.835 106.0 56.7 -65.9 -31.7 48.0 32.2 8.7 265 268 A Y H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.914 105.7 50.5 -64.9 -41.8 46.2 31.9 5.3 266 269 A S H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.913 112.0 47.5 -63.0 -39.7 49.1 29.7 4.0 267 270 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.866 109.9 53.0 -67.8 -37.5 48.8 27.5 7.1 268 271 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.872 105.3 53.9 -66.0 -38.1 45.1 27.3 6.7 269 272 A L H X S+ 0 0 16 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.936 112.1 45.7 -60.8 -43.1 45.4 26.1 3.1 270 273 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 3,-0.3 0.940 111.8 51.1 -64.2 -48.1 47.8 23.4 4.4 271 274 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 7,-0.2 0.907 110.8 48.0 -57.7 -42.9 45.4 22.4 7.2 272 275 A C H < S+ 0 0 26 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.802 110.4 52.1 -70.2 -27.3 42.4 22.1 4.9 273 276 A Q H < S+ 0 0 86 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.899 113.2 44.7 -72.6 -41.2 44.4 20.0 2.5 274 277 A I H < S+ 0 0 32 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.885 136.7 6.7 -68.7 -41.4 45.4 17.6 5.3 275 278 A A >< - 0 0 8 -4,-2.5 3,-2.3 -5,-0.2 4,-0.3 -0.784 57.6-167.4-150.0 99.1 42.0 17.5 6.8 276 279 A P G > S+ 0 0 98 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.774 87.1 73.7 -55.8 -27.0 39.0 19.1 5.1 277 280 A A G 3 S+ 0 0 47 1,-0.3 4,-0.2 2,-0.1 -5,-0.1 0.631 83.0 69.8 -62.8 -15.0 37.0 18.6 8.3 278 281 A V G X S+ 0 0 0 -3,-2.3 3,-2.0 -7,-0.2 4,-0.4 0.821 78.5 81.3 -72.7 -30.1 39.1 21.5 9.8 279 282 A R G X S+ 0 0 75 -3,-1.3 3,-1.8 -4,-0.3 -1,-0.2 0.811 80.3 59.2 -47.7 -46.8 37.4 24.1 7.7 280 283 A P G 3 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.647 103.7 56.0 -61.1 -13.3 34.1 24.7 9.6 281 284 A Y G < S+ 0 0 2 -3,-2.0 -24,-2.4 -4,-0.2 2,-0.3 0.545 86.3 96.4 -95.1 -9.1 36.2 25.7 12.7 282 285 A L E < -f 257 0B 1 -3,-1.8 -24,-0.2 -4,-0.4 -35,-0.0 -0.662 50.2-172.6 -88.9 137.6 38.1 28.5 11.0 283 286 A I E -f 258 0B 0 -26,-2.4 -24,-2.7 -2,-0.3 2,-0.1 -0.994 19.0-133.1-127.9 125.9 37.0 32.1 11.3 284 287 A P - 0 0 10 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.381 20.3-177.5 -76.3 158.0 38.7 34.9 9.3 285 288 A S - 0 0 1 1,-0.5 21,-2.4 -25,-0.4 20,-1.4 0.601 55.6 -4.5-114.4 -79.5 39.7 38.2 11.0 286 289 A H B -h 306 0D 2 -26,-0.5 2,-0.8 19,-0.2 -1,-0.5 -0.656 62.2-110.0-119.1 172.8 41.2 40.7 8.7 287 290 A F - 0 0 66 19,-2.0 22,-0.4 -2,-0.2 23,-0.3 -0.868 40.9-135.1-104.5 98.3 42.2 41.1 5.0 288 291 A S - 0 0 7 -2,-0.8 23,-0.2 -28,-0.2 5,-0.1 -0.188 6.3-133.2 -54.9 144.0 46.0 41.3 5.0 289 292 A A + 0 0 51 21,-2.0 22,-0.1 4,-0.1 -1,-0.1 0.498 69.8 120.5 -76.7 -3.7 47.7 44.0 2.9 290 293 A E S > S- 0 0 12 20,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.374 74.7-120.5 -63.8 138.6 50.1 41.4 1.5 291 294 A K T > S+ 0 0 134 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.839 108.3 49.7 -48.6 -44.1 49.8 41.1 -2.3 292 295 A G T 3> S+ 0 0 0 -97,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.379 81.6 97.8 -81.6 6.3 48.8 37.4 -2.3 293 296 A A H <> S+ 0 0 0 -3,-2.0 4,-2.9 1,-0.2 5,-0.3 0.925 78.4 54.2 -60.2 -46.6 46.0 37.7 0.3 294 297 A R H <> S+ 0 0 58 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.909 111.5 44.7 -55.9 -45.8 43.2 37.9 -2.2 295 298 A I H > S+ 0 0 35 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.931 114.0 49.1 -65.0 -47.3 44.2 34.6 -4.0 296 299 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.924 113.3 46.6 -59.2 -45.5 44.8 32.8 -0.7 297 300 A L H <>S+ 0 0 5 -4,-2.9 5,-2.5 1,-0.2 4,-0.4 0.845 108.0 57.1 -66.6 -33.9 41.4 33.9 0.7 298 301 A A H ><5S+ 0 0 68 -4,-1.9 3,-0.8 -5,-0.3 -1,-0.2 0.897 106.1 49.5 -64.7 -39.9 39.6 33.0 -2.5 299 302 A H H 3<5S+ 0 0 104 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.737 112.3 47.3 -72.7 -20.5 40.8 29.4 -2.3 300 303 A L T 3<5S- 0 0 10 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.449 108.6-128.5 -93.7 -3.6 39.7 29.2 1.3 301 304 A S T < 5 + 0 0 102 -3,-0.8 2,-0.4 -4,-0.4 -3,-0.2 0.930 60.1 145.8 53.3 49.5 36.3 30.7 0.3 302 305 A M < - 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0 0 58 -4,-1.6 2,-0.0 -5,-0.5 -4,-0.0 -0.382 69.2-119.9 -70.9 150.0 18.6 40.5 22.6 336 339 A G - 0 0 39 -309,-0.1 -309,-2.7 1,-0.1 2,-0.3 -0.193 29.7-108.6 -76.6 175.6 14.8 40.5 23.2 337 340 A E B > -A 26 0A 92 -311,-0.3 4,-0.6 1,-0.1 3,-0.3 -0.863 7.5-131.4-115.3 146.3 12.3 38.7 21.0 338 341 A L T >4>S+ 0 0 24 -313,-2.6 5,-2.1 -2,-0.3 3,-1.6 0.905 106.6 56.0 -54.9 -49.3 9.8 39.9 18.5 339 342 A A G >45S+ 0 0 79 -314,-0.4 3,-1.7 1,-0.3 -1,-0.2 0.870 101.3 58.0 -54.2 -40.6 7.0 37.8 19.9 340 343 A A G 345S+ 0 0 79 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.682 109.5 44.7 -64.8 -21.0 7.4 39.4 23.4 341 344 A S G <<5S- 0 0 65 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.254 113.2-119.1-105.1 9.2 6.8 42.8 21.9 342 345 A N T < 5 + 0 0 146 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.840 60.6 153.3 57.0 35.4 3.9 41.6 19.9 343 346 A I < - 0 0 75 -5,-2.1 2,-0.5 -6,-0.1 -1,-0.2 -0.865 23.1-171.9 -99.5 122.3 5.6 42.6 16.7 344 347 A V - 0 0 137 -2,-0.6 -5,-0.0 -3,-0.1 0, 0.0 -0.961 1.8-171.8-116.7 127.1 4.5 40.6 13.6 345 348 A L 0 0 80 -2,-0.5 -2,-0.0 1,-0.1 -7,-0.0 -0.853 360.0 360.0-116.4 152.4 6.3 40.9 10.3 346 349 A P 0 0 181 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.259 360.0 360.0 -52.7 360.0 5.5 39.5 6.9