==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 19-MAY-09 3HID . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS CO92; . AUTHOR R.ZHANG,M.ZHOU,S.PETERSON,W.ANDERSON,A.JOACHIMIAK . 424 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.5 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 . 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 . 29 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 0 0 2 2 1 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 3 2 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 . 2 1 1 1 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 M 0 0 130 0, 0.0 209,-0.1 0, 0.0 208,-0.0 0.000 360.0 360.0 360.0 128.9 49.4 3.5 54.3 2 2 A G - 0 0 17 207,-0.2 2,-0.4 1,-0.1 422,-0.2 0.113 360.0 -88.1 -89.9-155.8 47.5 5.0 51.3 3 3 A K - 0 0 69 420,-1.9 2,-0.1 419,-0.1 -1,-0.1 -0.927 27.1-117.4-124.9 132.9 46.6 8.5 50.1 4 4 A N - 0 0 0 -2,-0.4 251,-1.6 248,-0.2 2,-0.5 -0.437 38.1-143.5 -53.0 146.6 43.5 10.7 50.7 5 5 A V E -ab 213 255A 0 207,-2.2 209,-2.8 249,-0.2 2,-0.5 -0.977 12.7-159.3-125.9 130.9 41.9 11.2 47.4 6 6 A V E -ab 214 256A 0 249,-2.5 251,-3.2 -2,-0.5 2,-0.5 -0.943 10.2-162.2-106.0 127.0 40.2 14.4 46.2 7 7 A V E +ab 215 257A 0 207,-3.2 209,-2.8 -2,-0.5 2,-0.3 -0.943 23.0 152.8-111.5 124.1 37.7 13.9 43.4 8 8 A L E - b 0 258A 1 249,-1.9 251,-3.2 -2,-0.5 2,-0.4 -0.959 46.3 -96.5-149.2 159.8 36.7 17.0 41.3 9 9 A G E - b 0 259A 2 209,-0.4 211,-2.2 -2,-0.3 251,-0.2 -0.669 24.1-161.3 -81.8 132.7 35.5 18.0 37.9 10 10 A T S S+ 0 0 0 249,-2.6 302,-0.2 -2,-0.4 250,-0.1 0.516 71.4 36.4 -89.5 -6.0 38.2 19.1 35.5 11 11 A Q S S- 0 0 6 248,-0.3 210,-2.5 207,-0.2 211,-0.4 0.272 117.3 -50.3-119.5-125.9 36.0 21.0 33.0 12 12 A W S S- 0 0 6 253,-0.5 255,-0.4 1,-0.5 207,-0.1 -0.256 93.8 -82.4-116.3 41.5 32.9 23.2 33.2 13 13 A G S S+ 0 0 5 205,-0.2 -1,-0.5 253,-0.1 252,-0.2 -0.139 100.8 79.6 90.5 174.3 30.8 20.8 35.3 14 14 A D + 0 0 57 26,-0.2 205,-0.1 1,-0.1 -1,-0.0 0.747 50.0 142.5 58.2 31.3 28.7 17.7 34.6 15 15 A E S S- 0 0 4 203,-0.3 309,-0.1 244,-0.1 -1,-0.1 0.634 72.7-105.8 -78.4 -12.1 31.7 15.5 34.3 16 16 A G > + 0 0 34 243,-0.1 4,-0.6 245,-0.1 3,-0.2 0.833 65.1 152.6 92.1 43.0 29.9 12.6 36.0 17 17 A K H > + 0 0 4 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.789 56.4 70.3 -74.8 -35.1 31.6 12.7 39.4 18 18 A G H > S+ 0 0 2 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.901 98.7 50.0 -54.9 -47.1 28.9 11.2 41.6 19 19 A K H > S+ 0 0 15 24,-0.3 4,-2.1 -3,-0.2 -1,-0.3 0.874 110.9 49.8 -57.2 -40.2 29.3 7.8 40.1 20 20 A V H X S+ 0 0 1 -4,-0.6 4,-2.1 -3,-0.4 -2,-0.2 0.901 109.6 49.5 -73.3 -41.6 33.1 7.8 40.7 21 21 A V H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.951 112.5 48.9 -63.4 -45.0 32.9 8.9 44.3 22 22 A D H >X S+ 0 0 2 -4,-2.4 4,-0.7 -5,-0.2 3,-0.5 0.925 111.6 48.4 -62.2 -41.8 30.4 6.2 45.0 23 23 A L H 3< S+ 0 0 18 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.890 115.9 44.2 -66.0 -33.1 32.5 3.5 43.3 24 24 A L H >X S+ 0 0 2 -4,-2.1 3,-0.7 1,-0.2 4,-0.6 0.537 98.5 70.7 -91.4 -8.0 35.6 4.6 45.2 25 25 A T H << S+ 0 0 0 -4,-1.2 3,-0.5 -3,-0.5 -1,-0.2 0.785 72.2 87.0 -76.2 -31.8 34.0 5.0 48.7 26 26 A E T 3< S+ 0 0 132 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.1 0.798 101.1 36.5 -37.1 -35.5 33.6 1.3 49.0 27 27 A R T <4 S+ 0 0 137 -3,-0.7 -1,-0.3 -4,-0.1 -2,-0.2 0.814 103.1 87.9 -84.5 -38.0 37.2 1.5 50.3 28 28 A A < - 0 0 9 -4,-0.6 184,-0.1 -3,-0.5 3,-0.1 -0.159 56.2-154.6 -73.4 159.1 37.1 4.8 52.3 29 29 A K S S+ 0 0 67 182,-1.6 37,-2.9 1,-0.3 2,-0.4 0.777 84.0 31.1 -95.0 -38.8 36.1 5.5 55.9 30 30 A Y E -cd 66 212A 29 181,-1.2 183,-2.7 35,-0.2 2,-0.4 -0.983 58.5-167.5-121.3 140.9 35.1 9.2 55.4 31 31 A V E -cd 67 213A 0 35,-2.1 37,-3.0 -2,-0.4 2,-0.5 -0.997 18.5-168.7-122.0 126.5 33.6 11.0 52.4 32 32 A V E -cd 68 214A 0 181,-2.7 183,-2.8 -2,-0.4 2,-0.4 -0.950 18.4-153.1-126.6 117.5 33.7 14.8 52.7 33 33 A R E +cd 69 215A 1 35,-2.4 37,-2.6 -2,-0.5 40,-0.3 -0.772 18.0 178.8 -80.0 138.0 32.0 17.5 50.7 34 34 A Y + 0 0 1 181,-1.0 2,-0.3 -2,-0.4 -1,-0.1 0.372 50.9 16.8-127.5 -1.6 34.1 20.7 50.9 35 35 A Q S S+ 0 0 10 180,-0.4 38,-0.3 2,-0.1 -1,-0.2 -0.993 86.4 32.5-163.0 172.2 32.4 23.4 48.8 36 36 A G B -j 73 0B 1 36,-0.6 38,-2.4 -2,-0.3 2,-0.1 -0.306 66.7 -98.9 78.4-164.4 29.3 24.6 47.0 37 37 A G - 0 0 0 36,-0.2 2,-0.7 -2,-0.1 3,-0.5 -0.318 59.2 -42.1-131.7-146.4 25.7 24.1 47.9 38 38 A H S S+ 0 0 28 1,-0.2 17,-0.2 -2,-0.1 87,-0.1 -0.304 108.2 83.7 -93.4 47.1 22.7 22.0 47.1 39 39 A N + 0 0 63 -2,-0.7 -1,-0.2 15,-0.5 16,-0.1 0.092 46.6 117.6-131.7 24.8 23.2 22.0 43.4 40 40 A A - 0 0 14 14,-1.7 178,-0.3 -3,-0.5 14,-0.2 0.879 50.5-163.1 -60.6 -44.2 25.7 19.1 43.0 41 41 A G + 0 0 33 1,-0.2 2,-0.6 12,-0.1 13,-0.2 0.892 19.7 173.9 61.1 41.2 23.4 17.0 40.8 42 42 A H E -K 53 0C 14 11,-2.9 11,-2.6 -24,-0.1 2,-0.5 -0.724 15.7-154.8 -89.7 120.4 25.5 14.0 41.5 43 43 A T E -K 52 0C 62 -2,-0.6 2,-0.4 9,-0.2 -24,-0.3 -0.825 10.4-170.1-108.5 124.5 23.9 10.9 40.0 44 44 A L E -K 51 0C 0 7,-3.3 7,-3.0 -2,-0.5 2,-0.4 -0.914 4.6-171.2-111.0 139.4 24.4 7.3 41.3 45 45 A V E +Kl 50 412C 14 366,-0.5 368,-2.4 -2,-0.4 2,-0.5 -0.967 9.4 175.2-130.6 113.3 23.2 4.2 39.6 46 46 A I E > S-K 49 0C 28 3,-2.3 3,-2.3 -2,-0.4 366,-0.0 -0.980 75.5 -16.9-123.8 120.5 23.6 1.0 41.5 47 47 A N T 3 S- 0 0 146 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.869 130.0 -54.2 48.5 39.2 22.2 -2.3 40.1 48 48 A G T 3 S+ 0 0 51 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.366 110.9 122.3 81.5 -2.1 20.1 -0.1 37.7 49 49 A E E < -K 46 0C 123 -3,-2.3 -3,-2.3 2,-0.0 2,-0.3 -0.827 54.1-138.9 -98.8 127.7 18.5 2.0 40.5 50 50 A K E -K 45 0C 147 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.631 19.8-178.8 -91.5 137.3 19.1 5.8 40.3 51 51 A T E -K 44 0C 5 -7,-3.0 -7,-3.3 -2,-0.3 2,-0.5 -0.997 10.1-158.6-126.7 131.7 19.9 8.2 43.2 52 52 A V E -K 43 0C 74 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.925 10.0-171.6-107.7 129.5 20.3 11.9 42.8 53 53 A L E +K 42 0C 3 -11,-2.6 -11,-2.9 -2,-0.5 -12,-0.1 -0.960 19.6 164.9-119.6 137.3 22.2 13.9 45.4 54 54 A H S S+ 0 0 72 -2,-0.4 -14,-1.7 -13,-0.2 -15,-0.5 0.698 84.4 3.2-111.6 -31.9 22.6 17.6 45.6 55 55 A L S S+ 0 0 0 -17,-0.2 -22,-0.1 -16,-0.1 -2,-0.1 0.690 107.4 81.6-125.1 -51.7 23.8 18.2 49.1 56 56 A I S S- 0 0 1 1,-0.1 13,-0.0 24,-0.1 4,-0.0 -0.362 90.7-101.8 -64.1 138.3 24.5 14.9 50.9 57 57 A P > - 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.295 26.1-112.8 -68.7 157.2 27.9 13.5 49.9 58 58 A S T 3 S+ 0 0 0 1,-0.3 3,-0.2 2,-0.1 -33,-0.1 0.305 108.7 70.1 -75.9 5.6 28.1 10.7 47.3 59 59 A G T > + 0 0 0 1,-0.1 3,-2.0 -28,-0.1 -1,-0.3 0.364 68.2 101.1 -91.1 0.3 29.3 8.1 49.9 60 60 A I T < S+ 0 0 0 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.772 73.1 59.2 -66.8 -21.3 25.9 8.0 51.6 61 61 A L T 3 S+ 0 0 37 -3,-0.2 2,-0.5 31,-0.1 -1,-0.3 0.560 90.1 90.3 -82.1 -2.8 24.9 4.8 50.0 62 62 A R S X S- 0 0 25 -3,-2.0 3,-1.0 1,-0.0 -3,-0.0 -0.801 74.0-129.2-102.5 128.8 27.9 2.8 51.4 63 63 A E T 3 S+ 0 0 138 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.218 89.8 21.7 -65.3 160.2 27.8 1.0 54.8 64 64 A N T 3 S+ 0 0 129 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.589 99.3 114.7 56.7 11.6 30.6 1.6 57.4 65 65 A V < - 0 0 4 -3,-1.0 2,-0.5 -6,-0.1 -35,-0.2 -0.925 58.1-146.5-112.1 135.7 31.4 5.0 55.7 66 66 A I E -c 30 0A 38 -37,-2.9 -35,-2.1 -2,-0.4 2,-0.4 -0.908 11.7-152.6-103.2 123.3 30.8 8.3 57.4 67 67 A S E -ce 31 98A 0 30,-3.1 32,-2.6 -2,-0.5 2,-0.4 -0.812 11.4-164.9 -96.5 141.7 29.7 11.2 55.2 68 68 A I E -ce 32 99A 0 -37,-3.0 -35,-2.4 -2,-0.4 2,-0.8 -0.991 19.8-150.8-131.5 129.4 30.6 14.7 56.2 69 69 A I E -ce 33 100A 0 30,-2.4 32,-2.2 -2,-0.4 35,-0.2 -0.906 34.9-150.4 -93.8 103.7 29.3 18.1 55.0 70 70 A G > - 0 0 0 -37,-2.6 3,-2.2 -2,-0.8 176,-0.2 -0.263 25.5 -95.8 -78.5 168.4 32.3 20.2 55.6 71 71 A N T 3 S+ 0 0 29 1,-0.3 175,-0.2 175,-0.1 -37,-0.1 0.667 115.9 68.1 -57.7 -23.8 32.4 23.9 56.5 72 72 A G T 3 S+ 0 0 6 173,-2.5 -36,-0.6 -39,-0.2 2,-0.4 0.624 83.8 89.9 -75.9 -12.4 33.0 25.0 52.9 73 73 A V B < S-j 36 0B 0 -3,-2.2 2,-0.4 172,-0.3 -36,-0.2 -0.725 74.2-138.5 -86.2 129.7 29.5 23.9 52.0 74 74 A V - 0 0 0 -38,-2.4 2,-0.6 -2,-0.4 32,-0.2 -0.778 25.6-145.2 -87.5 134.4 26.7 26.4 52.3 75 75 A L B -m 106 0D 0 30,-3.2 32,-2.5 -2,-0.4 3,-0.1 -0.908 18.7-163.3-118.6 113.0 23.7 24.6 53.8 76 76 A A > - 0 0 2 -2,-0.6 4,-2.1 30,-0.2 5,-0.2 -0.857 15.7-154.2 -87.5 113.3 19.9 25.2 53.0 77 77 A P H > S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.892 92.1 52.8 -61.2 -39.5 18.2 23.4 56.0 78 78 A D H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.907 110.5 49.0 -58.6 -43.7 15.0 22.7 54.0 79 79 A A H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 111.2 48.5 -65.6 -42.4 17.0 21.1 51.2 80 80 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.913 111.4 50.0 -64.7 -43.4 19.0 18.9 53.7 81 81 A M H X S+ 0 0 20 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.912 110.6 50.4 -62.4 -41.7 15.8 17.8 55.4 82 82 A K H X S+ 0 0 132 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.930 113.5 44.0 -62.3 -48.7 14.1 16.9 52.1 83 83 A E H X S+ 0 0 22 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.902 115.1 49.8 -62.4 -41.8 17.1 14.8 50.9 84 84 A M H X S+ 0 0 5 -4,-2.6 4,-2.8 -5,-0.2 10,-0.3 0.969 111.8 47.0 -57.8 -56.9 17.4 13.2 54.4 85 85 A T H X S+ 0 0 80 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.858 114.6 46.9 -57.4 -40.8 13.7 12.3 54.6 86 86 A E H X S+ 0 0 99 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.847 113.4 46.2 -74.0 -37.7 13.6 10.8 51.0 87 87 A L H <>S+ 0 0 6 -4,-2.3 5,-1.6 -5,-0.2 3,-0.4 0.902 114.3 50.8 -64.5 -42.0 16.8 8.8 51.4 88 88 A E H <5S+ 0 0 59 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.867 102.3 57.9 -66.6 -36.5 15.4 7.6 54.7 89 89 A A H <5S+ 0 0 90 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.757 110.4 52.3 -65.4 -25.2 12.0 6.6 53.2 90 90 A R T <5S- 0 0 103 -4,-0.8 -3,-0.1 -3,-0.4 0, 0.0 0.003 127.2 -75.5 -83.7-157.7 14.1 4.4 51.0 91 91 A G T 5S+ 0 0 77 -2,-0.1 -3,-0.2 2,-0.1 -4,-0.1 0.611 93.7 116.0 -77.0 -5.4 16.6 2.0 52.8 92 92 A V < - 0 0 17 -5,-1.6 2,-2.2 -6,-0.1 3,-0.2 -0.499 53.1-155.4 -91.1 111.4 19.1 4.7 53.7 93 93 A P >> + 0 0 40 0, 0.0 3,-1.6 0, 0.0 4,-0.8 -0.447 24.1 171.9 -79.3 75.9 19.8 5.4 57.4 94 94 A V H >> + 0 0 0 -2,-2.2 3,-1.3 -10,-0.3 4,-1.1 0.872 68.6 56.1 -55.3 -45.7 21.1 9.0 56.8 95 95 A R H 34 S+ 0 0 129 1,-0.3 -1,-0.3 2,-0.2 -11,-0.0 0.598 104.2 54.6 -66.5 -16.8 21.3 10.1 60.4 96 96 A E H <4 S+ 0 0 161 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.737 118.5 33.4 -79.6 -28.9 23.5 7.2 61.3 97 97 A R H << S+ 0 0 34 -3,-1.3 -30,-3.1 -4,-0.8 2,-0.5 0.408 100.0 86.8-110.0 -8.0 26.0 8.1 58.6 98 98 A L E < +e 67 0A 3 -4,-1.1 2,-0.3 -32,-0.2 -30,-0.2 -0.886 43.9 178.9-117.1 127.0 26.0 11.9 58.3 99 99 A L E -e 68 0A 39 -32,-2.6 -30,-2.4 -2,-0.5 2,-0.4 -0.893 11.5-152.8-118.7 155.8 28.0 14.5 60.2 100 100 A L E -ef 69 195A 0 94,-2.4 96,-1.6 -2,-0.3 2,-0.4 -0.956 16.4-122.8-126.3 144.9 28.0 18.3 59.8 101 101 A S > - 0 0 10 -32,-2.2 3,-1.4 -2,-0.4 41,-0.2 -0.695 17.2-138.7 -77.0 133.4 30.5 21.1 60.4 102 102 A E T 3 S+ 0 0 93 94,-0.5 41,-2.5 -2,-0.4 42,-0.2 0.626 100.8 67.0 -59.1 -20.4 29.3 23.8 62.8 103 103 A A T 3 + 0 0 20 39,-0.2 -1,-0.2 38,-0.1 -33,-0.1 0.489 69.0 118.8 -90.0 -1.6 30.9 26.3 60.4 104 104 A C < - 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0 0 103 -2,-0.3 4,-2.2 1,-0.2 3,-0.3 -0.669 21.7-160.9 -82.5 105.7 8.7 37.3 57.0 177 184 A Y H > S+ 0 0 38 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.903 88.4 52.3 -48.4 -47.9 11.2 37.0 59.9 178 185 A Q H > S+ 0 0 91 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.873 108.4 49.0 -66.2 -39.2 8.9 34.9 62.0 179 186 A K H > S+ 0 0 107 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.911 111.8 49.7 -64.7 -43.4 8.2 32.3 59.3 180 187 A V H X S+ 0 0 8 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.958 114.6 45.6 -58.7 -47.7 11.9 32.0 58.6 181 188 A L H X S+ 0 0 10 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.945 110.9 52.0 -57.9 -51.3 12.6 31.6 62.3 182 189 A D H X S+ 0 0 72 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.906 110.1 48.9 -54.8 -44.9 9.7 29.1 62.8 183 190 A D H X S+ 0 0 82 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.889 113.1 46.6 -69.9 -34.1 10.9 26.9 60.0 184 191 A V H >X S+ 0 0 7 -4,-2.0 3,-1.5 -5,-0.2 4,-1.4 0.950 110.3 52.9 -68.5 -48.1 14.5 26.9 61.3 185 192 A L H 3< S+ 0 0 69 -4,-3.3 4,-0.4 1,-0.3 -2,-0.2 0.830 100.1 63.2 -58.5 -32.3 13.4 26.1 64.9 186 193 A A H 3< S+ 0 0 82 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.744 119.8 22.5 -63.4 -23.1 11.3 23.1 63.8 187 194 A I H XX S+ 0 0 36 -3,-1.5 4,-1.5 -4,-0.5 3,-0.9 0.410 90.3 104.8-124.4 -0.8 14.5 21.3 62.5 188 195 A A H 3X S+ 0 0 1 -4,-1.4 4,-2.9 1,-0.3 5,-0.2 0.865 80.2 53.2 -51.8 -45.4 17.3 22.9 64.5 189 196 A D H 3> S+ 0 0 98 -4,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.816 104.0 56.9 -67.5 -29.0 17.8 20.0 66.8 190 197 A I H <4 S+ 0 0 44 -3,-0.9 4,-0.4 2,-0.2 -1,-0.2 0.933 112.5 41.9 -63.6 -46.9 18.1 17.5 63.9 191 198 A L H >< S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.2 4,-0.3 0.918 112.7 51.0 -67.4 -47.5 21.0 19.6 62.5 192 199 A T H >< S+ 0 0 27 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.850 101.2 63.5 -64.4 -27.7 22.8 20.3 65.8 193 200 A A T 3< S+ 0 0 84 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.716 100.8 53.6 -64.2 -21.7 22.8 16.5 66.7 194 201 A M T < S+ 0 0 10 -3,-1.4 -94,-2.4 -4,-0.4 -1,-0.3 0.412 82.6 118.5 -92.5 -4.2 25.0 15.9 63.6 195 202 A V B < +f 100 0A 36 -3,-1.4 2,-0.3 -4,-0.3 -94,-0.2 -0.479 33.2 161.7 -74.0 134.7 27.7 18.4 64.6 196 203 A V - 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