==== 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 LIGASE 26-MAR-99 1CG0 . COMPND 2 MOLECULE: PROTEIN (ADENYLOSUCCINATE SYNTHETASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR J.Y.CHOE,B.W.POLAND,H.FROMM,R.HONZATKO . 431 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 2 0.5 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 . 36 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 0 1 0 1 1 2 1 0 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 4 2 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 PARALLEL BRIDGES PER LADDER . 3 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 1 0 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 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 1 A G 0 0 20 0, 0.0 430,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 145.1 -6.2 24.3 45.1 2 2 A N + 0 0 65 1,-0.2 216,-3.0 215,-0.1 2,-0.9 0.853 360.0 54.6 -70.2 -41.8 -8.5 24.9 42.2 3 3 A N E S-a 218 0A 3 214,-0.2 258,-2.2 255,-0.1 257,-1.4 -0.847 74.7-177.6-101.6 105.0 -10.4 27.8 43.8 4 4 A V E -ab 219 261A 0 214,-2.9 216,-3.0 -2,-0.9 2,-0.4 -0.887 12.5-158.1-108.5 130.2 -8.0 30.4 44.9 5 5 A V E -ab 220 262A 0 256,-3.2 258,-4.4 -2,-0.5 2,-0.5 -0.907 4.9-170.7-106.2 132.7 -8.9 33.6 46.8 6 6 A V E +ab 221 263A 0 214,-2.8 216,-3.4 -2,-0.4 2,-0.3 -0.956 23.6 155.2-123.5 104.0 -6.6 36.7 46.7 7 7 A L E - b 0 264A 0 256,-2.4 258,-3.4 -2,-0.5 2,-0.5 -0.833 45.5 -94.8-130.3 167.7 -7.7 39.4 49.2 8 8 A G E -ab 225 265A 0 216,-0.6 218,-2.8 215,-0.3 258,-0.1 -0.726 22.5-165.7 -85.3 122.7 -6.3 42.3 51.2 9 9 A T S S+ 0 0 2 256,-2.4 309,-0.2 -2,-0.5 -1,-0.1 0.524 75.3 31.5 -84.3 -2.5 -5.4 41.6 54.7 10 10 A Q S S- 0 0 8 255,-0.3 217,-2.1 214,-0.1 218,-0.3 0.420 121.6 -45.0-118.8-110.9 -5.1 45.2 55.8 11 11 A W S S- 0 0 7 1,-0.6 262,-0.3 260,-0.4 214,-0.1 -0.229 93.3 -84.8-123.7 40.9 -6.9 48.4 54.7 12 12 A G S S+ 0 0 3 212,-0.2 -1,-0.6 211,-0.1 259,-0.2 -0.193 103.1 75.7 83.7 178.4 -6.7 47.9 51.0 13 13 A D + 0 0 38 1,-0.1 212,-0.1 27,-0.1 -1,-0.0 0.686 51.8 134.2 50.7 31.7 -3.9 48.7 48.6 14 14 A E S S- 0 0 0 210,-0.2 -1,-0.1 251,-0.1 252,-0.1 0.638 87.0 -84.6 -79.2 -20.4 -1.7 45.8 49.7 15 15 A G S > S+ 0 0 30 250,-0.1 4,-1.6 315,-0.1 5,-0.2 0.631 78.0 145.0 116.7 38.5 -0.9 44.9 46.1 16 16 A K H > + 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.920 68.7 55.9 -72.8 -41.3 -3.9 42.7 45.0 17 17 A G H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 109.6 48.5 -58.5 -44.2 -4.1 43.8 41.3 18 18 A K H > S+ 0 0 16 24,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.959 114.0 43.9 -63.1 -50.8 -0.5 42.8 40.8 19 19 A I H X S+ 0 0 1 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.887 111.2 54.4 -65.8 -33.6 -0.7 39.3 42.4 20 20 A V H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.969 110.6 46.4 -63.3 -48.8 -4.0 38.5 40.6 21 21 A D H < S+ 0 0 2 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.889 114.3 49.0 -59.1 -40.3 -2.4 39.3 37.3 22 22 A L H >< S+ 0 0 29 -4,-2.3 3,-1.5 -5,-0.2 -2,-0.2 0.999 113.8 43.1 -60.6 -63.0 0.6 37.2 38.2 23 23 A L H >< S+ 0 0 9 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.709 97.3 75.0 -59.4 -24.0 -1.2 34.1 39.4 24 24 A T G >< + 0 0 0 -4,-1.9 3,-1.8 1,-0.3 -1,-0.3 0.540 61.9 97.5 -72.4 -3.4 -3.8 34.0 36.6 25 25 A E G < S+ 0 0 128 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.802 97.0 36.3 -52.6 -24.4 -1.4 32.7 34.1 26 26 A R G < S+ 0 0 91 -3,-1.2 191,-0.3 38,-0.0 -1,-0.3 0.398 101.9 104.2-108.0 1.9 -2.9 29.3 35.0 27 27 A A < - 0 0 4 -3,-1.8 191,-0.2 1,-0.1 3,-0.1 -0.472 50.3-163.7 -91.9 153.3 -6.5 30.4 35.6 28 28 A K S S+ 0 0 77 189,-2.7 37,-3.0 1,-0.3 2,-0.3 0.804 82.1 21.1 -96.9 -40.5 -9.6 30.0 33.5 29 29 A Y E -cd 65 218A 14 188,-1.4 190,-1.8 35,-0.2 2,-0.4 -0.919 54.5-163.0-130.0 152.5 -11.6 32.7 35.4 30 30 A V E -cd 66 219A 0 35,-1.7 37,-2.8 -2,-0.3 2,-0.4 -0.995 21.5-162.8-128.6 129.9 -10.9 35.7 37.6 31 31 A V E -cd 67 220A 0 188,-3.1 190,-3.3 -2,-0.4 2,-0.4 -0.967 14.7-156.4-125.1 131.8 -13.9 36.8 39.6 32 32 A R E +cd 68 221A 0 35,-2.5 37,-2.3 -2,-0.4 40,-0.3 -0.837 16.7 175.3 -93.5 141.2 -14.5 40.2 41.4 33 33 A Y + 0 0 1 188,-0.6 2,-0.3 -2,-0.4 189,-0.1 0.320 52.6 19.0-134.0 5.8 -17.1 39.7 44.1 34 34 A Q S S+ 0 0 5 187,-0.3 -1,-0.3 2,-0.1 38,-0.2 -0.977 89.8 33.8-170.7 162.3 -17.4 43.0 46.0 35 35 A G - 0 0 0 36,-0.5 38,-1.6 -2,-0.3 2,-0.2 -0.331 62.1-132.9 81.1-168.6 -16.9 46.7 46.0 36 36 A G > - 0 0 0 36,-0.2 3,-0.7 -2,-0.1 38,-0.1 -0.316 62.3 -29.4-147.5-124.9 -17.2 48.6 42.8 37 37 A H T 3 S+ 0 0 25 36,-0.2 17,-0.2 1,-0.2 -2,-0.1 0.119 109.2 92.5 -94.4 20.6 -14.9 51.2 41.2 38 38 A N T 3 S+ 0 0 13 15,-0.1 -1,-0.2 16,-0.0 263,-0.1 0.822 71.5 92.0 -76.1 -30.5 -13.7 52.4 44.6 39 39 A A < - 0 0 4 -3,-0.7 2,-0.4 14,-0.2 184,-0.0 -0.219 60.4-163.0 -63.9 145.7 -10.9 49.9 44.1 40 40 A G - 0 0 9 14,-0.1 2,-0.6 13,-0.0 259,-0.2 -0.931 10.0-177.9-135.2 105.3 -7.6 50.9 42.4 41 41 A H E -J 52 0B 5 11,-2.9 11,-2.8 -2,-0.4 2,-0.5 -0.922 10.4-156.5-113.8 108.5 -5.6 47.9 41.2 42 42 A T E -J 51 0B 51 -2,-0.6 2,-0.4 9,-0.2 -24,-0.3 -0.724 10.1-175.7 -88.7 124.3 -2.2 48.6 39.6 43 43 A L E -J 50 0B 0 7,-3.5 7,-2.9 -2,-0.5 2,-0.4 -0.941 4.5-167.6-115.1 140.4 -0.6 46.1 37.2 44 44 A V E +Jk 49 418B 19 373,-0.5 375,-2.7 -2,-0.4 2,-0.5 -0.967 7.2 177.8-134.7 113.4 2.8 46.6 35.7 45 45 A I E > S-J 48 0B 29 3,-2.2 3,-3.3 -2,-0.4 373,-0.1 -0.978 78.2 -22.1-118.3 119.0 3.9 44.4 32.8 46 46 A N T 3 S- 0 0 141 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.888 127.7 -53.8 48.4 40.1 7.3 45.1 31.4 47 47 A G T 3 S+ 0 0 61 1,-0.2 2,-0.7 -3,-0.0 -1,-0.3 0.513 108.6 127.8 76.1 1.3 7.0 48.5 32.9 48 48 A E E < -J 45 0B 112 -3,-3.3 -3,-2.2 2,-0.0 -1,-0.2 -0.844 52.8-142.1 -92.5 117.9 3.7 49.3 31.2 49 49 A K E -J 44 0B 126 -2,-0.7 2,-0.4 -5,-0.2 -5,-0.2 -0.543 21.4-179.6 -85.2 142.4 1.3 50.4 33.9 50 50 A T E -J 43 0B 4 -7,-2.9 -7,-3.5 -2,-0.2 2,-0.5 -0.997 9.3-164.6-138.8 136.2 -2.4 49.5 34.2 51 51 A V E -J 42 0B 48 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.981 10.1-169.9-123.6 119.4 -4.9 50.6 36.8 52 52 A L E +J 41 0B 0 -11,-2.8 -11,-2.9 -2,-0.5 -35,-0.1 -0.717 15.8 167.5-105.0 154.2 -8.2 48.7 37.0 53 53 A H S S+ 0 0 42 -2,-0.3 -14,-0.2 -13,-0.2 -1,-0.2 0.498 82.6 3.4-126.1 -68.2 -11.1 49.8 39.1 54 54 A L S S+ 0 0 0 -17,-0.2 -22,-0.1 24,-0.1 25,-0.1 0.766 113.0 83.5 -95.0 -31.8 -14.2 47.8 38.1 55 55 A I S S- 0 0 0 1,-0.1 4,-0.0 24,-0.1 12,-0.0 -0.524 87.9-110.3 -76.2 136.2 -12.7 45.4 35.5 56 56 A P > - 0 0 0 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.276 22.6-113.9 -64.8 159.8 -11.0 42.4 37.0 57 57 A S T 3 S+ 0 0 0 1,-0.3 3,-0.3 2,-0.1 -33,-0.1 0.371 107.4 69.2 -74.1 1.2 -7.2 42.0 37.0 58 58 A G T > + 0 0 0 1,-0.2 3,-1.0 2,-0.1 6,-0.3 0.319 69.9 101.8-100.8 10.7 -7.1 39.0 34.7 59 59 A I T < S+ 0 0 0 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.584 73.3 58.1 -69.4 -15.5 -8.3 41.1 31.7 60 60 A L T 3 S+ 0 0 38 -3,-0.3 2,-0.7 1,-0.1 -1,-0.2 0.689 88.9 83.9 -89.0 -16.2 -4.9 41.4 30.2 61 61 A R X - 0 0 24 -3,-1.0 3,-1.9 1,-0.2 -1,-0.1 -0.747 68.5-153.5 -93.2 110.9 -4.5 37.7 29.9 62 62 A E T 3 S+ 0 0 141 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.810 93.8 55.3 -51.8 -33.5 -6.1 36.4 26.7 63 63 A N T 3 S+ 0 0 78 -3,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.692 93.4 84.8 -74.5 -18.1 -6.7 33.0 28.2 64 64 A V < - 0 0 2 -3,-1.9 2,-0.6 -6,-0.3 -35,-0.2 -0.616 67.3-144.4 -93.4 142.9 -8.6 34.3 31.2 65 65 A T E -c 29 0A 35 -37,-3.0 -35,-1.7 -2,-0.3 2,-0.4 -0.937 20.9-146.0-101.7 118.2 -12.3 35.0 31.3 66 66 A S E -ce 30 97A 0 30,-2.1 32,-2.7 -2,-0.6 2,-0.4 -0.751 15.7-165.9 -91.1 133.6 -12.9 38.0 33.6 67 67 A I E -ce 31 98A 0 -37,-2.8 -35,-2.5 -2,-0.4 2,-0.8 -0.955 20.2-156.5-125.3 130.2 -16.1 38.0 35.6 68 68 A I E -ce 32 99A 0 30,-2.4 32,-2.2 -2,-0.4 -35,-0.1 -0.902 32.5-151.8-100.1 106.0 -17.9 40.8 37.6 69 69 A G > - 0 0 0 -37,-2.3 3,-2.1 -2,-0.8 183,-0.2 -0.358 27.6 -94.3 -80.1 166.2 -20.0 38.8 40.1 70 70 A N T 3 S+ 0 0 34 1,-0.3 182,-0.2 182,-0.2 181,-0.1 0.678 117.2 66.3 -48.9 -29.1 -23.3 39.8 41.7 71 71 A G T 3 S+ 0 0 6 180,-2.5 -36,-0.5 -39,-0.2 -1,-0.3 0.791 82.3 90.7 -67.5 -26.7 -21.6 41.2 44.8 72 72 A V S < S- 0 0 0 -3,-2.1 2,-0.7 179,-0.4 -36,-0.2 -0.502 77.0-135.7 -71.3 136.0 -20.0 44.0 42.8 73 73 A V - 0 0 0 -38,-1.6 2,-0.6 -2,-0.2 -36,-0.2 -0.889 32.3-141.2 -93.5 112.6 -22.1 47.2 42.6 74 74 A L B -l 105 0C 0 30,-3.0 32,-2.1 -2,-0.7 3,-0.1 -0.713 16.8-160.0 -93.1 116.2 -21.8 48.0 38.9 75 75 A S > - 0 0 8 -2,-0.6 4,-3.1 30,-0.2 3,-0.3 -0.800 3.3-162.5 -91.8 106.9 -21.4 51.5 37.4 76 76 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.897 92.5 53.8 -53.5 -40.7 -22.3 51.5 33.7 77 77 A A H > S+ 0 0 69 29,-0.4 4,-1.7 1,-0.2 5,-0.1 0.875 112.3 42.0 -61.3 -42.6 -20.5 54.8 33.3 78 78 A A H > S+ 0 0 13 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.902 112.4 53.8 -72.6 -42.9 -17.3 53.5 34.8 79 79 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.966 112.7 44.3 -53.2 -55.0 -17.4 50.2 33.0 80 80 A M H X S+ 0 0 28 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.841 111.6 52.6 -59.4 -40.8 -17.7 52.0 29.7 81 81 A K H X S+ 0 0 120 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.955 115.0 41.0 -62.9 -49.4 -15.0 54.5 30.5 82 82 A E H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.849 111.1 57.2 -66.9 -37.1 -12.5 51.8 31.4 83 83 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 10,-0.3 0.929 107.8 48.4 -60.4 -42.2 -13.6 49.5 28.5 84 84 A K H X S+ 0 0 112 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.942 111.5 48.5 -63.7 -49.7 -12.8 52.2 26.0 85 85 A E H X S+ 0 0 85 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.890 114.7 44.9 -56.5 -46.5 -9.4 53.0 27.4 86 86 A L H <>S+ 0 0 6 -4,-2.4 5,-2.3 2,-0.2 3,-0.3 0.838 111.6 53.8 -69.2 -35.0 -8.4 49.3 27.5 87 87 A E H ><5S+ 0 0 52 -4,-2.1 3,-2.2 -5,-0.2 -2,-0.2 0.935 102.4 56.4 -64.5 -45.8 -9.7 48.7 24.0 88 88 A D H 3<5S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.759 104.1 57.3 -56.7 -22.7 -7.7 51.6 22.6 89 89 A R T 3<5S- 0 0 94 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.091 128.9 -96.1 -98.6 23.7 -4.7 49.7 24.1 90 90 A G T < 5S+ 0 0 66 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.590 84.8 131.1 74.2 14.4 -5.4 46.6 22.1 91 91 A I < - 0 0 19 -5,-2.3 2,-2.6 -8,-0.1 -1,-0.2 -0.858 50.2-149.0-102.3 102.7 -7.3 44.8 24.9 92 92 A P >> + 0 0 34 0, 0.0 3,-1.9 0, 0.0 4,-1.2 -0.353 23.9 173.7 -73.1 72.8 -10.7 43.4 23.6 93 93 A V H >> S+ 0 0 0 -2,-2.6 4,-2.9 -10,-0.3 3,-0.9 0.866 71.4 58.7 -46.2 -54.5 -12.6 43.8 26.9 94 94 A R H 34 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.2 -11,-0.0 0.744 107.6 49.2 -50.5 -27.2 -16.0 42.9 25.4 95 95 A E H <4 S+ 0 0 156 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.813 119.6 34.9 -83.4 -31.8 -14.6 39.5 24.4 96 96 A R H << S+ 0 0 35 -4,-1.2 -30,-2.1 -3,-0.9 2,-0.3 0.731 102.0 84.0 -95.2 -24.9 -13.0 38.7 27.8 97 97 A L E < +e 66 0A 1 -4,-2.9 2,-0.3 -5,-0.2 -30,-0.2 -0.671 46.1 176.6 -93.0 136.7 -15.5 40.2 30.2 98 98 A L E -e 67 0A 45 -32,-2.7 -30,-2.4 -2,-0.3 2,-0.3 -0.922 10.5-163.3-127.3 153.9 -18.7 38.7 31.6 99 99 A L E -ef 68 201A 0 101,-3.2 103,-1.5 -2,-0.3 2,-0.5 -0.983 20.2-107.9-146.6 153.0 -21.0 40.1 34.2 100 100 A S E > - f 0 202A 9 -32,-2.2 3,-2.2 -2,-0.3 48,-0.3 -0.697 11.0-147.1 -81.8 128.1 -23.8 39.1 36.6 101 101 A E T 3 S+ 0 0 75 101,-0.6 48,-2.3 -2,-0.5 49,-0.2 0.682 99.0 65.7 -63.4 -14.6 -27.4 40.2 36.0 102 102 A A T 3 S+ 0 0 25 46,-0.2 -1,-0.3 45,-0.1 -33,-0.1 0.350 72.8 115.4 -88.9 3.0 -27.7 40.4 39.8 103 103 A C < - 0 0 0 -3,-2.2 45,-2.3 -35,-0.1 -30,-0.2 -0.628 67.5-126.4 -77.0 129.8 -25.3 43.3 40.1 104 104 A P B -M 147 0D 5 0, 0.0 -30,-3.0 0, 0.0 2,-0.4 -0.349 27.8-119.6 -67.3 157.4 -26.9 46.5 41.4 105 105 A L B -l 74 0C 2 41,-2.1 2,-0.5 -32,-0.2 41,-0.3 -0.820 12.0-144.4-102.9 137.1 -26.2 49.6 39.2 106 106 A I + 0 0 3 -32,-2.1 -29,-0.4 -2,-0.4 2,-0.3 -0.887 28.4 175.3 -97.7 125.7 -24.4 52.7 40.4 107 107 A L >> - 0 0 10 -2,-0.5 3,-1.7 25,-0.1 4,-0.8 -0.807 45.9 -89.0-124.2 168.4 -25.9 55.8 38.8 108 108 A D H >> S+ 0 0 84 -2,-0.3 4,-2.1 1,-0.3 3,-0.8 0.779 121.6 60.4 -47.6 -38.3 -25.3 59.6 39.2 109 109 A Y H 3> S+ 0 0 1 1,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.839 98.8 61.2 -62.2 -27.0 -27.8 60.1 42.1 110 110 A H H <> S+ 0 0 2 -3,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.820 106.4 44.7 -66.5 -33.3 -25.7 57.5 44.0 111 111 A V H X S+ 0 0 5 -4,-3.4 4,-2.8 -5,-0.2 3,-0.5 0.976 113.4 41.6 -49.7 -62.1 -24.4 64.6 50.2 117 117 A R H 3X S+ 0 0 51 -4,-3.2 4,-1.8 1,-0.3 -2,-0.2 0.881 111.1 56.9 -57.5 -40.3 -24.0 62.3 53.1 118 118 A E H 3< S+ 0 0 33 -4,-3.0 -1,-0.3 -5,-0.4 4,-0.3 0.900 110.3 44.4 -61.7 -37.0 -20.2 62.9 53.1 119 119 A K H X< S+ 0 0 156 -4,-2.5 3,-2.7 -3,-0.5 -2,-0.2 0.970 107.7 59.5 -70.1 -49.7 -20.9 66.6 53.5 120 120 A A H 3< S+ 0 0 70 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.782 98.7 59.1 -45.9 -38.4 -23.5 66.1 56.2 121 121 A R T >< S- 0 0 88 -4,-1.8 3,-2.1 1,-0.2 -1,-0.3 0.551 84.5-173.5 -70.5 -14.4 -21.0 64.3 58.5 122 122 A G G X - 0 0 47 -3,-2.7 3,-1.1 1,-0.3 -1,-0.2 -0.247 69.0 -1.2 57.6-127.5 -18.7 67.3 58.6 123 123 A A G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.764 130.9 64.9 -68.7 -20.8 -15.5 66.5 60.4 124 124 A K G < S+ 0 0 134 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.079 74.2 146.3 -91.7 30.8 -16.6 63.0 61.0 125 125 A A < - 0 0 25 -3,-1.1 150,-0.2 1,-0.1 -7,-0.1 -0.379 53.4-132.9 -69.2 142.1 -16.7 62.2 57.3 126 126 A I - 0 0 39 148,-0.1 149,-1.5 -2,-0.1 -1,-0.1 0.798 33.1-124.3 -64.1 -30.4 -15.8 58.6 56.3 127 127 A G - 0 0 22 147,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.796 42.2-174.5 85.1 33.9 -13.4 59.8 53.6 128 128 A T - 0 0 44 1,-0.1 -1,-0.1 -14,-0.1 146,-0.1 -0.243 37.7-108.0 -63.1 152.7 -15.3 57.7 51.0 129 129 A T - 0 0 28 1,-0.1 -1,-0.1 2,-0.0 3,-0.1 0.297 44.6-117.2 -64.0 9.8 -13.8 57.5 47.5 130 130 A G S S+ 0 0 26 1,-0.2 2,-0.3 -16,-0.1 -15,-0.2 0.595 80.8 118.8 66.4 5.1 -16.6 59.8 46.1 131 131 A R S S- 0 0 73 -17,-0.1 2,-0.4 -16,-0.0 3,-0.4 -0.706 83.2-105.3 -92.5 158.9 -17.9 57.0 43.8 132 132 A G S > S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.2 -25,-0.1 0.178 76.9 128.2 -83.1 33.3 -21.5 56.1 44.7 133 133 A I H > + 0 0 9 -2,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.848 67.9 48.8 -48.2 -57.2 -20.7 52.8 46.5 134 134 A G H > S+ 0 0 13 -3,-0.4 4,-2.6 1,-0.2 3,-0.5 0.938 113.2 45.9 -50.4 -61.9 -22.5 53.3 49.8 135 135 A P H > S+ 0 0 2 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.858 108.7 55.9 -51.8 -43.3 -25.8 54.5 48.3 136 136 A A H X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.871 111.5 44.4 -62.8 -35.6 -25.9 51.7 45.7 137 137 A Y H X S+ 0 0 22 -4,-1.7 4,-2.8 -3,-0.5 5,-0.3 0.916 110.7 53.5 -72.9 -44.5 -25.6 49.1 48.6 138 138 A E H X S+ 0 0 73 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.977 112.0 46.6 -52.1 -53.6 -28.2 50.9 50.7 139 139 A D H X>S+ 0 0 2 -4,-2.9 5,-1.7 2,-0.2 6,-1.7 0.884 111.7 51.7 -55.8 -42.8 -30.5 50.7 47.7 140 140 A K H ><5S+ 0 0 88 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.987 113.3 42.0 -54.7 -64.0 -29.7 47.1 47.1 141 141 A V H 3<5S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.814 111.2 58.0 -52.6 -38.3 -30.4 46.1 50.7 142 142 A A H 3<5S- 0 0 32 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.630 106.5-127.5 -68.1 -16.1 -33.5 48.3 50.7 143 143 A R T <<5S+ 0 0 227 -3,-2.1 -3,-0.2 -4,-0.8 -2,-0.1 0.703 88.7 96.7 69.8 22.6 -34.9 46.3 47.6 144 144 A R < + 0 0 94 -5,-1.7 -4,-0.2 -6,-0.2 -5,-0.1 0.490 57.9 107.5-111.7 -11.3 -35.5 49.6 45.7 145 145 A G - 0 0 19 -6,-1.7 2,-0.2 -5,-0.2 -9,-0.0 -0.206 66.7-122.3 -72.2 162.1 -32.3 49.4 43.7 146 146 A L - 0 0 8 -41,-0.3 -41,-2.1 15,-0.0 2,-0.3 -0.644 26.5-164.8 -97.8 154.1 -31.9 48.6 40.0 147 147 A R B >> -M 104 0D 123 -43,-0.3 3,-1.8 -2,-0.2 4,-0.6 -0.915 41.4 -94.1-137.7 165.0 -29.7 45.8 38.8 148 148 A V G >4 S+ 0 0 0 -45,-2.3 3,-1.5 -48,-0.3 4,-0.2 0.849 122.9 63.6 -48.0 -36.3 -28.2 44.7 35.5 149 149 A G G >4 S+ 0 0 17 -48,-2.3 3,-2.0 1,-0.3 -1,-0.3 0.825 89.0 66.0 -58.4 -34.3 -31.4 42.6 35.1 150 150 A D G X4 S+ 0 0 31 -3,-1.8 3,-0.9 1,-0.3 -1,-0.3 0.742 89.3 66.3 -62.6 -21.8 -33.7 45.6 35.0 151 151 A L G << S+ 0 0 6 -3,-1.5 -1,-0.3 -4,-0.6 3,-0.2 0.622 75.8 89.9 -74.1 -12.3 -32.1 46.7 31.7 152 152 A F G < S+ 0 0 109 -3,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.545 97.7 31.8 -61.9 -8.9 -33.7 43.6 30.1 153 153 A D S <> S- 0 0 77 -3,-0.9 4,-1.8 -4,-0.1 -1,-0.3 -0.749 72.6-163.1-154.1 99.0 -36.8 45.6 29.3 154 154 A K H > S+ 0 0 94 -2,-0.3 4,-2.0 -3,-0.2 5,-0.2 0.813 85.3 58.0 -53.6 -41.2 -36.1 49.3 28.7 155 155 A E H >> S+ 0 0 151 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.986 111.2 39.9 -55.8 -63.2 -39.7 50.5 29.2 156 156 A T H 3> S+ 0 0 40 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.837 109.6 62.7 -58.6 -32.1 -40.0 49.1 32.7 157 157 A F H 3X S+ 0 0 0 -4,-1.8 4,-3.6 -7,-0.2 -1,-0.2 0.902 106.1 44.0 -59.5 -43.4 -36.5 50.3 33.4 158 158 A A H S+ 0 0 141 -4,-2.3 4,-2.4 -5,-0.2 5,-0.5 0.976 111.8 43.8 -56.8 -54.9 -36.9 64.7 47.1 171 171 A Q H X>S+ 0 0 36 -4,-1.3 4,-2.8 1,-0.2 5,-1.5 0.944 114.0 50.9 -57.0 -48.8 -34.3 63.9 49.8 172 172 A L H <5S+ 0 0 0 -4,-2.3 6,-3.5 3,-0.2 -1,-0.2 0.897 120.1 31.4 -57.7 -49.1 -31.4 65.6 47.9 173 173 A V H <5S+ 0 0 56 -4,-2.6 4,-0.4 4,-0.3 -2,-0.2 0.966 129.5 36.8 -76.7 -48.9 -33.2 69.0 47.2 174 174 A N H <5S+ 0 0 77 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.843 129.5 26.4 -72.7 -36.6 -35.4 69.1 50.4 175 175 A Y T <> - 0 0 103 -2,-0.5 4,-1.9 1,-0.2 3,-0.7 -0.472 16.6-155.6 -65.2 108.1 -31.7 64.9 36.1 183 183 A Y H 3> S+ 0 0 44 -2,-0.6 4,-2.1 1,-0.3 -1,-0.2 0.818 92.9 52.1 -48.3 -42.4 -33.8 61.9 35.4 184 184 A Q H 3> S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.855 106.1 50.7 -71.2 -34.5 -33.5 62.3 31.7 185 185 A K H <> S+ 0 0 113 -3,-0.7 4,-2.8 1,-0.2 5,-0.2 0.933 113.7 47.6 -67.3 -39.0 -29.7 62.6 31.5 186 186 A V H X S+ 0 0 5 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.863 111.0 49.2 -66.3 -42.6 -29.5 59.3 33.6 187 187 A L H X S+ 0 0 21 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.951 116.3 44.4 -61.7 -46.7 -32.0 57.5 31.5 188 188 A D H X S+ 0 0 81 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.902 111.1 49.7 -64.1 -50.7 -30.1 58.6 28.3 189 189 A D H X S+ 0 0 63 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.936 115.6 46.1 -55.3 -47.5 -26.6 57.9 29.4 190 190 A T H >X S+ 0 0 6 -4,-1.7 4,-1.8 -5,-0.2 3,-1.4 0.969 110.6 50.1 -60.6 -57.1 -27.6 54.5 30.5 191 191 A M H 3< S+ 0 0 46 -4,-2.7 4,-0.4 1,-0.3 -1,-0.2 0.751 102.2 64.2 -55.0 -26.7 -29.6 53.5 27.4 192 192 A A H 3< S+ 0 0 80 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.922 116.2 28.6 -63.8 -38.9 -26.7 54.6 25.3 193 193 A V H XX S+ 0 0 28 -3,-1.4 4,-2.3 -4,-1.1 3,-0.9 0.637 90.9 97.8 -99.5 -13.9 -24.7 51.7 26.9 194 194 A A H 3X S+ 0 0 1 -4,-1.8 4,-4.0 1,-0.2 5,-0.3 0.870 81.7 53.6 -36.2 -67.0 -27.3 49.0 27.8 195 195 A D H 3> S+ 0 0 108 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.784 113.1 42.3 -46.1 -40.0 -26.8 46.8 24.7 196 196 A I H <> S+ 0 0 48 -3,-0.9 4,-0.7 2,-0.2 3,-0.3 0.968 118.3 45.5 -71.3 -52.0 -23.1 46.5 25.2 197 197 A L H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.920 112.9 52.0 -54.4 -47.5 -23.5 46.0 29.0 198 198 A T H >< S+ 0 0 44 -4,-4.0 3,-1.6 -5,-0.3 -1,-0.2 0.825 99.2 63.5 -60.7 -36.2 -26.3 43.5 28.4 199 199 A S H 3< S+ 0 0 85 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.736 97.1 57.4 -65.7 -21.5 -24.3 41.4 25.9 200 200 A M T << S+ 0 0 3 -3,-1.2 -101,-3.2 -4,-0.7 -1,-0.3 0.381 80.2 121.5 -91.2 6.0 -21.8 40.4 28.6 201 201 A V E < +f 99 0A 37 -3,-1.6 2,-0.3 -103,-0.2 -101,-0.2 -0.420 29.9 158.9 -71.5 143.8 -24.4 38.9 31.0 202 202 A V E -f 100 0A 41 -103,-1.5 2,-1.6 -2,-0.1 -101,-0.6 -0.938 54.2 -96.5-155.0 156.4 -24.1 35.3 32.1 203 203 A D > - 0 0 82 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.647 44.7-171.4 -78.0 89.0 -25.5 33.2 35.0 204 204 A V H > S+ 0 0 2 -2,-1.6 4,-2.8 1,-0.2 5,-0.2 0.897 76.6 50.0 -54.6 -46.2 -22.4 33.6 37.1 205 205 A S H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 113.6 46.5 -63.1 -39.9 -23.3 31.1 39.9 206 206 A D H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 110.7 53.3 -67.2 -38.2 -24.2 28.4 37.4 207 207 A L H X S+ 0 0 16 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.941 111.0 45.9 -62.8 -44.5 -21.0 29.1 35.5 208 208 A L H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.861 108.6 55.1 -67.4 -34.9 -18.9 28.7 38.6 209 209 A D H X S+ 0 0 60 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.959 113.6 43.2 -60.6 -45.0 -20.7 25.5 39.6 210 210 A Q H X S+ 0 0 95 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.915 113.5 50.3 -65.2 -44.6 -19.9 24.1 36.2 211 211 A A H <>S+ 0 0 0 -4,-3.2 5,-2.1 -5,-0.2 4,-0.4 0.928 108.6 53.8 -58.6 -44.6 -16.3 25.4 36.3 212 212 A R H ><5S+ 0 0 72 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.912 109.1 48.1 -53.8 -49.8 -15.9 23.8 39.8 213 213 A Q H 3<5S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.765 107.9 53.3 -64.0 -32.2 -17.0 20.4 38.5 214 214 A R T 3<5S- 0 0 127 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.513 112.4-122.3 -80.2 -4.0 -14.6 20.6 35.5 215 215 A G T < 5 + 0 0 29 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.693 52.2 167.5 70.9 16.3 -11.9 21.2 38.0 216 216 A D < - 0 0 35 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.2 -0.283 42.7-106.7 -63.2 152.1 -11.0 24.5 36.2 217 217 A F - 0 0 48 -191,-0.3 -189,-2.7 -214,-0.1 -188,-1.4 -0.686 41.5-173.0 -79.0 126.7 -8.7 26.9 38.1 218 218 A V E -ad 3 29A 1 -216,-3.0 -214,-2.9 -2,-0.5 2,-0.5 -0.959 9.4-161.4-125.2 138.4 -10.7 29.9 39.4 219 219 A M E -ad 4 30A 0 -190,-1.8 -188,-3.1 -2,-0.4 2,-0.5 -0.986 5.2-155.2-123.8 126.7 -9.3 33.0 41.1 220 220 A F E -ad 5 31A 0 -216,-3.0 -214,-2.8 -2,-0.5 2,-0.7 -0.873 11.5-152.5-100.6 125.5 -11.3 35.3 43.2 221 221 A E E -ad 6 32A 0 -190,-3.3 -188,-0.6 -2,-0.5 -187,-0.3 -0.864 9.5-149.3-102.8 108.4 -10.0 38.9 43.4 222 222 A G E - 0 0 0 -216,-3.4 2,-0.3 -2,-0.7 21,-0.1 -0.176 3.6-150.7 -69.5 169.4 -10.8 40.8 46.5 223 223 A A E + 0 0 0 20,-0.1 -215,-0.3 -215,-0.1 -211,-0.1 -0.888 62.7 1.9-131.5 162.2 -11.2 44.6 46.6 224 224 A Q E S- 0 0 18 -2,-0.3 -216,-0.6 -213,-0.1 2,-0.3 -0.056 92.4 -82.7 48.7-163.8 -10.4 46.8 49.7 225 225 A G E > -a 8 0A 0 -215,-0.1 3,-2.7 -214,-0.1 4,-0.3 -0.959 33.5 -93.9-138.5 161.1 -9.0 45.0 52.8 226 226 A T G > S+ 0 0 0 -218,-2.8 3,-2.3 -2,-0.3 17,-0.2 0.809 118.1 54.3 -37.2 -52.4 -10.2 43.1 55.9 227 227 A L G 3 S+ 0 0 4 -217,-2.1 7,-2.2 1,-0.3 -1,-0.3 0.477 102.5 58.8 -72.7 4.4 -10.4 46.1 58.3 228 228 A L G < S+ 0 0 26 -3,-2.7 11,-3.3 -218,-0.3 -1,-0.3 0.282 75.9 132.0-109.2 3.8 -12.7 47.9 55.9 229 229 A D <> - 0 0 0 -3,-2.3 4,-3.1 -4,-0.3 13,-0.2 -0.405 64.2-130.5 -60.8 126.4 -15.2 45.1 56.0 230 230 A I T 4 S+ 0 0 48 11,-2.3 -1,-0.2 -2,-0.2 12,-0.1 0.808 104.1 28.2 -47.8 -34.3 -18.7 46.5 56.6 231 231 A D T 4 S+ 0 0 105 10,-0.2 4,-0.2 1,-0.1 -1,-0.2 0.911 133.7 27.2 -93.5 -57.0 -19.2 44.0 59.5 232 232 A H T 4 S+ 0 0 80 -6,-0.1 -2,-0.2 2,-0.1 -3,-0.1 0.505 103.4 95.0 -90.3 -4.4 -15.8 43.2 60.9 233 233 A G S < S- 0 0 2 -4,-3.1 2,-2.8 6,-0.1 -5,-0.2 -0.080 98.1 -73.9 -79.5-178.7 -14.1 46.5 60.0 234 234 A T S > S- 0 0 0 -7,-2.2 3,-2.0 3,-0.4 127,-0.2 -0.377 76.9-121.3 -73.7 61.0 -13.5 49.6 62.0 235 235 A Y T 3 S+ 0 0 135 -2,-2.8 127,-2.4 1,-0.3 128,-0.4 -0.128 85.4 13.7 -49.4 140.1 -17.1 50.7 61.7 236 236 A P T 3 S+ 0 0 30 0, 0.0 2,-2.1 0, 0.0 -1,-0.3 -0.938 118.2 70.1 -91.3 10.6 -18.3 53.2 60.4 237 237 A Y S < S+ 0 0 27 -3,-2.0 -3,-0.4 37,-0.1 2,-0.2 -0.451 89.2 92.0 -85.7 68.5 -14.8 53.9 58.8 238 238 A V S S- 0 0 18 -2,-2.1 2,-0.2 -5,-0.1 -9,-0.2 -0.768 81.4 -94.9-143.9-177.2 -15.2 51.0 56.5 239 239 A T - 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