==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-FEB-09 3G9K . COMPND 2 MOLECULE: CAPSULE BIOSYNTHESIS PROTEIN CAPD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR R.ZHANG,R.WU,S.RICHTER,V.J.ANDERSON,D.MISSIAKAS,A.JOACHIMIAK . 894 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 617 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 3 4 2 0 1 1 0 2 4 6 4 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 3 4 4 6 6 6 2 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 . 4 3 0 0 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 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 46 L K 0 0 212 0, 0.0 2,-0.2 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 125.3 -6.8 5.4 9.4 2 47 L G - 0 0 45 290,-0.0 2,-0.4 1,-0.0 290,-0.1 0.396 360.0 -67.6 89.2 142.8 -6.9 2.8 10.6 3 48 L T + 0 0 11 289,-0.2 291,-0.3 -2,-0.2 2,-0.3 -0.937 51.3 158.3-123.8 144.0 -7.1 2.4 14.4 4 49 L Y - 0 0 12 -2,-0.4 446,-1.8 431,-0.1 2,-0.3 -0.977 10.1-176.2-159.7 163.8 -4.5 3.3 17.1 5 50 L G E -AB 290 449A 0 285,-2.3 285,-2.3 -2,-0.3 2,-0.3 -0.986 12.6-154.3-164.3 152.6 -4.3 4.1 20.8 6 51 L V E -AB 289 448A 0 442,-2.3 442,-2.3 -2,-0.3 2,-0.4 -0.996 4.9-172.0-135.9 137.9 -2.0 5.2 23.7 7 52 L S E +AB 288 447A 0 281,-2.9 281,-2.2 -2,-0.3 2,-0.3 -0.989 25.9 148.0-130.9 119.5 -2.3 4.5 27.4 8 53 L A E - B 0 446A 0 438,-1.7 438,-2.2 -2,-0.4 279,-0.2 -0.973 55.5-113.1-150.8 162.0 0.2 6.3 29.7 9 54 L S S S+ 0 0 6 277,-0.3 278,-0.1 -2,-0.3 438,-0.1 0.303 100.5 54.5 -87.2 8.5 0.5 7.9 33.2 10 55 L H S >> S- 0 0 9 436,-0.1 4,-1.9 1,-0.1 3,-0.9 -0.953 74.0-140.6-139.5 129.8 1.0 11.4 31.9 11 56 L P H 3> S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.728 103.9 56.5 -57.5 -25.8 -1.5 13.3 29.6 12 57 L L H 3> S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.828 106.5 49.8 -74.9 -32.8 1.4 14.9 27.6 13 58 L A H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 5,-0.2 0.899 111.3 49.3 -66.4 -44.4 2.9 11.4 26.9 14 59 L V H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.965 113.3 47.9 -56.9 -52.3 -0.6 10.3 25.7 15 60 L E H X S+ 0 0 99 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.903 113.4 44.4 -56.2 -50.3 -0.8 13.5 23.5 16 61 L E H X S+ 0 0 16 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.841 113.5 51.5 -65.4 -36.1 2.6 13.2 21.9 17 62 L G H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.903 110.3 48.2 -64.0 -44.4 2.2 9.5 21.3 18 63 L X H X S+ 0 0 26 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.861 107.1 57.9 -61.5 -43.6 -1.2 10.0 19.6 19 64 L K H X S+ 0 0 120 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.918 106.8 47.8 -53.1 -47.3 0.4 12.8 17.5 20 65 L V H <>S+ 0 0 21 -4,-1.7 5,-2.9 2,-0.2 -1,-0.2 0.901 115.8 44.5 -58.3 -43.7 3.0 10.4 16.1 21 66 L L H ><5S+ 0 0 0 -4,-1.6 3,-1.9 3,-0.2 -2,-0.2 0.910 108.3 56.0 -74.1 -42.6 0.3 7.8 15.3 22 67 L K H 3<5S+ 0 0 145 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.871 106.3 53.5 -53.7 -39.1 -2.1 10.3 13.8 23 68 L N T 3<5S- 0 0 127 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.253 131.8 -91.7 -86.5 13.3 0.7 11.3 11.3 24 69 L G T < 5S+ 0 0 52 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.439 75.6 148.0 99.2 1.2 1.2 7.7 10.3 25 70 L G < - 0 0 11 -5,-2.9 267,-0.3 -6,-0.2 -1,-0.2 -0.133 43.9-110.3 -70.6 166.1 3.9 6.6 12.7 26 71 L S > - 0 0 22 265,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.370 28.0-105.0 -90.6 170.3 4.3 3.0 14.0 27 72 L A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.908 121.7 51.1 -61.4 -39.8 3.8 1.7 17.6 28 73 L V H > S+ 0 0 7 65,-0.2 4,-2.0 2,-0.2 5,-0.2 0.952 109.6 47.9 -65.4 -51.5 7.7 1.6 18.0 29 74 L D H > S+ 0 0 1 1,-0.2 4,-2.1 64,-0.2 -1,-0.2 0.920 113.9 47.2 -53.3 -48.0 8.2 5.2 16.9 30 75 L A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.857 108.6 56.1 -59.1 -38.3 5.5 6.4 19.2 31 76 L A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.870 107.0 48.9 -65.5 -34.7 6.9 4.4 22.1 32 77 L I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.929 113.7 46.4 -69.5 -45.1 10.3 6.1 21.7 33 78 L V H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.948 115.2 46.5 -59.0 -51.9 8.6 9.5 21.6 34 79 L V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.886 110.6 53.1 -56.8 -45.5 6.5 8.5 24.7 35 80 L S H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.959 112.5 43.7 -62.2 -47.0 9.5 7.1 26.6 36 81 L Y H X S+ 0 0 5 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.874 112.6 51.8 -63.7 -39.5 11.5 10.3 26.2 37 82 L V H >X S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.2 3,-0.8 0.941 108.3 52.2 -60.9 -43.9 8.5 12.6 27.0 38 83 L L H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 8,-0.3 0.881 103.8 58.0 -61.0 -39.6 7.9 10.6 30.2 39 84 L G H 3< S+ 0 0 12 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.777 115.8 36.8 -62.7 -26.0 11.6 11.1 31.2 40 85 L V H X< S+ 0 0 2 -4,-0.9 3,-0.5 -3,-0.8 -2,-0.2 0.902 129.1 26.9 -90.3 -49.6 11.0 14.8 30.9 41 86 L V H 3< S+ 0 0 1 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.649 130.6 37.7 -94.4 -19.4 7.5 15.4 32.3 42 87 L E T >X S+ 0 0 9 -4,-2.4 3,-2.1 -5,-0.4 4,-0.8 -0.306 76.4 151.4-121.6 46.4 7.2 12.4 34.6 43 88 L L T <4 + 0 0 7 -3,-0.5 274,-0.2 1,-0.3 264,-0.1 0.634 60.2 64.6 -62.2 -21.9 10.8 12.7 35.7 44 89 L H T 34 S+ 0 0 13 1,-0.2 263,-2.5 -3,-0.1 264,-0.5 0.778 109.0 41.2 -67.3 -25.5 10.4 11.2 39.2 45 90 L A T <4 S- 0 0 1 -3,-2.1 258,-0.6 -7,-0.2 259,-0.3 0.650 123.4 -13.3-105.6 -24.0 9.4 7.9 37.6 46 91 L S < + 0 0 1 -4,-0.8 2,-0.3 -8,-0.3 -1,-0.2 -0.967 65.8 127.0-163.4 170.8 11.6 7.1 34.7 47 92 L G > - 0 0 6 -2,-0.3 3,-2.0 4,-0.2 35,-0.3 -0.965 67.6 -47.4 157.7-165.9 14.2 8.7 32.3 48 93 L I T 3 S+ 0 0 8 -2,-0.3 35,-0.5 1,-0.3 34,-0.2 0.727 123.2 62.1 -69.3 -18.8 17.6 8.8 30.7 49 94 L G T 3 S+ 0 0 1 268,-0.3 270,-2.1 -10,-0.1 -1,-0.3 0.435 110.3 42.6 -83.3 -3.7 19.3 8.1 34.1 50 95 L G S < S- 0 0 0 -3,-2.0 32,-2.1 268,-0.2 31,-1.6 -0.032 74.6-120.4-114.0-142.4 17.5 4.8 34.3 51 96 L G E +C 302 0A 1 251,-2.3 251,-3.0 30,-0.3 17,-0.3 -0.816 21.3 169.9-155.4-167.1 16.4 1.7 32.3 52 97 L G E -C 301 0A 0 249,-0.3 15,-2.1 -2,-0.2 2,-0.3 -0.974 26.1-108.1 171.8-175.7 13.4 -0.4 31.2 53 98 L G E -CD 300 66A 0 247,-1.9 247,-2.0 -2,-0.3 2,-0.4 -0.981 19.0-157.2-148.5 146.3 12.1 -3.1 29.1 54 99 L X E -CD 299 65A 0 11,-2.0 11,-2.9 -2,-0.3 2,-0.4 -0.985 3.5-159.4-134.6 125.4 9.9 -3.2 26.1 55 100 L L E -CD 298 64A 0 243,-2.7 243,-2.1 -2,-0.4 2,-0.5 -0.836 11.4-170.6 -98.9 130.8 7.7 -5.9 24.7 56 101 L I E +CD 297 63A 10 7,-2.9 7,-2.5 -2,-0.4 2,-0.5 -0.969 6.3 178.0-127.8 113.6 6.8 -5.6 21.0 57 102 L I E +CD 296 62A 1 239,-2.7 239,-2.9 -2,-0.5 5,-0.2 -0.951 8.9 168.9-120.7 108.8 4.2 -7.9 19.5 58 103 L S - 0 0 25 3,-2.7 237,-0.1 -2,-0.5 236,-0.1 -0.543 54.0 -90.1-105.0 176.5 3.3 -7.5 15.9 59 104 L K S S+ 0 0 134 234,-0.3 3,-0.1 -2,-0.2 235,-0.0 0.821 126.0 22.3 -51.1 -33.8 1.3 -9.7 13.5 60 105 L D S S+ 0 0 113 1,-0.1 2,-0.3 600,-0.0 -1,-0.2 0.544 120.9 43.4-117.8 -14.1 4.5 -11.5 12.6 61 106 L K - 0 0 59 598,-0.1 -3,-2.7 2,-0.0 2,-0.4 -0.967 49.6-158.4-140.5 150.0 7.1 -11.1 15.4 62 107 L E E +D 57 0A 27 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.994 25.0 168.2-127.0 127.5 7.5 -11.1 19.2 63 108 L T E -D 56 0A 8 -7,-2.5 -7,-2.9 -2,-0.4 2,-0.4 -0.986 23.2-161.3-140.5 144.1 10.4 -9.3 20.8 64 109 L F E -DE 55 199A 0 135,-2.0 135,-2.8 -2,-0.3 2,-0.6 -0.993 10.8-159.7-122.9 120.8 11.5 -8.2 24.2 65 110 L I E -DE 54 198A 0 -11,-2.9 -11,-2.0 -2,-0.4 2,-0.8 -0.914 4.9-157.7-103.3 120.0 14.2 -5.5 24.5 66 111 L D E +DE 53 197A 0 131,-3.4 131,-2.3 -2,-0.6 -13,-0.2 -0.846 25.6 158.9 -96.1 106.3 16.0 -5.5 27.9 67 112 L Y + 0 0 0 -15,-2.1 14,-0.4 -2,-0.8 18,-0.2 -0.157 24.2 145.0-119.7 40.6 17.6 -2.0 28.6 68 113 L R - 0 0 5 -17,-0.3 -17,-0.1 13,-0.1 11,-0.1 -0.439 58.8 -91.7 -71.9 149.6 17.9 -2.4 32.3 69 114 L E - 0 0 3 -2,-0.1 261,-0.3 9,-0.1 2,-0.3 -0.192 38.8-137.0 -61.5 152.5 20.9 -0.9 34.0 70 115 L T B -G 79 0B 12 9,-1.2 9,-3.6 259,-0.1 259,-0.2 -0.865 22.2-102.8-116.6 148.1 24.0 -3.0 34.5 71 116 L T - 0 0 28 257,-2.0 257,-0.2 255,-0.6 7,-0.1 -0.487 34.0-135.5 -72.0 135.9 26.2 -3.1 37.6 72 117 L P 0 0 24 0, 0.0 256,-0.1 0, 0.0 -1,-0.1 -0.247 360.0 360.0 -78.4 176.5 29.5 -1.2 37.5 73 118 L Y 0 0 247 -2,-0.1 114,-0.1 254,-0.0 117,-0.0 -0.376 360.0 360.0 -59.3 360.0 32.8 -2.7 38.7 74 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 75 125 L P 0 0 109 0, 0.0 2,-0.8 0, 0.0 234,-0.0 0.000 360.0 360.0 360.0 163.8 24.9 4.8 46.6 76 126 L H + 0 0 110 245,-0.1 245,-2.0 -5,-0.0 2,-0.4 -0.819 360.0 171.6 -87.1 111.2 24.4 1.9 44.3 77 127 L I - 0 0 5 -2,-0.8 2,-0.2 107,-0.2 243,-0.2 -0.984 19.4-147.6-122.9 132.5 23.9 3.3 40.7 78 128 L G - 0 0 0 -2,-0.4 -7,-0.2 241,-0.1 241,-0.2 -0.533 35.3 -90.5 -94.9 159.9 23.7 1.1 37.6 79 129 L V B -G 70 0B 1 -9,-3.6 -9,-1.2 -2,-0.2 -1,-0.1 -0.630 56.4-111.8 -69.5 119.6 25.0 2.0 34.2 80 130 L P - 0 0 0 0, 0.0 4,-0.2 0, 0.0 -29,-0.2 -0.335 34.3-176.3 -61.6 135.5 21.9 3.6 32.6 81 131 L G > + 0 0 0 -31,-1.6 4,-2.8 -14,-0.4 -30,-0.3 0.581 57.6 91.8-103.7 -16.8 20.3 1.6 29.8 82 132 L F H > S+ 0 0 0 -32,-2.1 4,-2.7 -35,-0.3 5,-0.2 0.874 88.9 44.5 -48.2 -58.5 17.5 3.9 28.6 83 133 L V H > S+ 0 0 1 -35,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.920 117.0 46.1 -58.6 -47.1 19.4 5.9 25.8 84 134 L A H > S+ 0 0 17 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.869 112.4 52.9 -60.6 -40.4 21.0 2.7 24.4 85 135 L G H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.941 109.5 46.3 -58.8 -53.2 17.6 0.9 24.5 86 136 L X H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.890 114.0 48.5 -61.3 -41.1 15.8 3.5 22.6 87 137 L E H X S+ 0 0 62 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.915 113.4 46.8 -66.3 -43.6 18.6 3.7 20.0 88 138 L Y H X S+ 0 0 77 -4,-2.5 4,-1.5 2,-0.2 5,-0.2 0.896 113.9 48.6 -59.5 -45.9 18.7 -0.1 19.6 89 139 L I H X>S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.8 0.931 112.9 48.3 -59.9 -49.9 14.9 -0.2 19.3 90 140 L H H X5S+ 0 0 29 -4,-2.9 4,-1.6 3,-0.2 -2,-0.2 0.941 112.8 46.4 -55.6 -50.1 14.9 2.6 16.8 91 141 L D H <5S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.746 124.8 31.0 -69.6 -24.2 17.6 1.0 14.6 92 142 L N H <5S+ 0 0 88 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.700 138.1 14.2-109.3 -21.7 16.1 -2.4 14.6 93 143 L Y H <5S+ 0 0 51 -4,-2.6 -65,-0.2 -5,-0.2 -64,-0.2 0.401 103.6 92.5-133.9 -6.5 12.3 -1.9 14.9 94 144 L G << - 0 0 24 -4,-1.6 -4,-0.1 -5,-0.8 -67,-0.0 -0.252 46.1-165.2 -91.1-178.8 11.7 1.8 14.1 95 145 L S + 0 0 94 1,-0.1 -1,-0.1 -69,-0.1 3,-0.1 0.678 63.9 62.6-130.7 -56.8 10.8 3.8 11.0 96 146 L L S S- 0 0 63 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.362 94.7 -87.9 -75.4 156.4 11.3 7.5 11.3 97 147 L P > - 0 0 72 0, 0.0 4,-1.0 0, 0.0 3,-0.5 -0.399 35.9-118.9 -63.2 150.3 14.8 9.0 12.0 98 148 L X H >> S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.867 105.3 65.7 -58.9 -42.8 15.7 9.3 15.6 99 149 L G H >> S+ 0 0 27 1,-0.3 4,-0.9 2,-0.2 3,-0.6 0.887 101.3 49.0 -49.9 -48.3 16.2 13.1 15.6 100 150 L E H 34 S+ 0 0 110 -3,-0.5 3,-0.5 1,-0.2 -1,-0.3 0.863 107.5 55.5 -57.9 -42.0 12.5 13.7 15.0 101 151 L L H << S+ 0 0 5 -4,-1.0 4,-0.4 -3,-0.6 -1,-0.2 0.765 106.8 49.4 -67.0 -25.6 11.4 11.3 17.7 102 152 L L H S+ 0 0 23 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.943 112.5 45.8 -57.1 -43.3 8.9 16.6 21.5 105 155 L A H > S+ 0 0 0 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.930 110.9 53.7 -58.6 -46.0 10.8 15.7 24.7 106 156 L I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.873 105.6 54.2 -57.2 -40.7 13.4 18.3 23.9 107 157 L N H X>S+ 0 0 73 -4,-2.4 4,-3.4 1,-0.2 5,-0.7 0.907 109.0 46.8 -63.6 -43.5 10.6 21.0 23.5 108 158 L Y H X5S+ 0 0 32 -4,-1.8 4,-0.9 3,-0.2 45,-0.3 0.874 114.4 48.9 -66.2 -34.8 9.2 20.2 27.0 109 159 L A H <5S+ 0 0 0 -4,-2.2 44,-2.8 -5,-0.2 -2,-0.2 0.953 122.6 32.2 -64.4 -48.3 12.7 20.3 28.5 110 160 L E H <5S+ 0 0 64 -4,-2.7 -2,-0.2 42,-0.2 -3,-0.2 0.902 131.8 30.0 -82.1 -45.8 13.5 23.6 26.8 111 161 L K H <5S- 0 0 157 -4,-3.4 -3,-0.2 -5,-0.2 -1,-0.2 0.715 107.8-131.1 -88.0 -28.5 10.2 25.4 26.7 112 162 L G << - 0 0 12 -4,-0.9 2,-0.3 -5,-0.7 40,-0.2 -0.308 10.8-121.6 107.4 171.4 8.7 23.8 29.8 113 163 L F E -H 151 0C 9 38,-1.1 38,-2.7 -4,-0.1 2,-0.5 -0.970 32.1 -94.9-150.6 157.9 5.5 22.0 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D H >< S+ 0 0 84 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.955 112.7 42.5 -54.6 -54.5 7.6 17.1 48.7 125 175 L L H 3< S+ 0 0 104 -4,-2.7 -1,-0.2 1,-0.2 4,-0.2 0.749 117.3 47.6 -65.8 -28.3 8.0 13.5 50.0 126 176 L A H >X S+ 0 0 8 -4,-1.6 4,-2.3 -5,-0.2 3,-1.2 0.616 83.3 95.2 -85.3 -16.9 11.5 13.1 48.5 127 177 L K H - 0 0 48 -2,-0.2 3,-1.2 0, 0.0 -2,-0.1 -0.763 66.2 -87.7-143.1 179.6 20.6 19.5 47.6 133 183 L D T 3 S+ 0 0 152 -2,-0.2 3,-0.4 1,-0.2 -2,-0.1 0.581 120.7 65.8 -76.7 -7.9 22.0 22.7 46.2 134 184 L K T 3 S+ 0 0 92 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.573 91.5 65.0 -82.2 -11.3 21.9 21.2 42.7 135 185 L L X> + 0 0 0 -3,-1.2 3,-1.4 1,-0.2 4,-1.1 0.013 54.0 127.3-110.7 27.0 18.1 21.0 42.6 136 186 L S G >4 + 0 0 81 -3,-0.4 3,-0.6 1,-0.3 -1,-0.2 0.850 69.5 60.2 -61.7 -34.9 16.9 24.6 42.7 137 187 L I G 34 S+ 0 0 63 -3,-0.3 -1,-0.3 1,-0.2 15,-0.1 0.775 109.9 42.9 -62.0 -27.0 14.6 24.3 39.6 138 188 L F G <4 S+ 0 0 0 -3,-1.4 7,-2.2 1,-0.2 -1,-0.2 0.593 121.5 40.6 -89.3 -18.8 12.5 21.6 41.4 139 189 L Y S X< S- 0 0 2 -4,-1.1 3,-2.0 -3,-0.6 -1,-0.2 -0.521 78.8-170.3-130.7 64.8 12.5 23.5 44.7 140 190 L P G > S+ 0 0 53 0, 0.0 3,-1.5 0, 0.0 -3,-0.1 -0.344 79.5 0.5 -59.8 129.0 12.0 27.2 43.9 141 191 L N G 3 S- 0 0 174 1,-0.2 -5,-0.0 -2,-0.1 0, 0.0 0.781 134.2 -62.9 54.9 29.0 12.5 29.3 47.1 142 192 L G G < S+ 0 0 20 -3,-2.0 -1,-0.2 1,-0.2 -11,-0.0 0.284 116.4 95.7 88.6 -8.3 13.2 26.1 49.0 143 193 L E S < S- 0 0 127 -3,-1.5 -1,-0.2 1,-0.1 3,-0.1 -0.814 86.8 -81.9-115.8 153.9 9.8 24.5 48.5 144 194 L P - 0 0 12 0, 0.0 -5,-0.2 0, 0.0 -24,-0.1 -0.270 58.0 -96.1 -52.5 134.1 8.5 21.9 45.9 145 195 L I - 0 0 11 -7,-2.2 2,-0.2 1,-0.1 -22,-0.1 -0.241 51.7-114.5 -55.2 136.2 7.5 23.6 42.6 146 196 L E > - 0 0 136 1,-0.1 3,-2.3 -3,-0.1 -31,-0.3 -0.465 27.5 -91.7 -85.9 146.6 3.7 24.2 42.8 147 197 L T T 3 S+ 0 0 57 1,-0.3 -31,-0.2 -2,-0.2 -1,-0.1 -0.208 114.4 28.1 -46.3 137.6 1.0 22.6 40.7 148 198 L G T 3 S+ 0 0 26 -33,-2.9 -1,-0.3 1,-0.3 -32,-0.1 0.118 92.8 121.8 92.9 -20.0 0.3 24.7 37.8 149 199 L E < - 0 0 107 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0 116 -3,-0.6 4,-1.3 1,-0.3 -1,-0.3 0.774 85.5 68.7 -53.6 -29.8 27.6 8.4 22.0 170 220 L G H <4 S+ 0 0 0 -3,-2.3 6,-0.3 -7,-0.2 -1,-0.3 0.597 114.1 26.4 -62.6 -19.3 26.2 11.8 23.2 171 221 L F H <4 S+ 0 0 0 -3,-2.6 -2,-0.2 -4,-0.2 9,-0.2 0.729 124.7 45.2-105.7 -48.0 25.3 10.1 26.5 172 222 L Y H < S+ 0 0 15 -4,-2.6 2,-0.3 4,-0.1 -3,-0.2 0.436 120.9 26.6 -88.5 1.0 27.8 7.1 26.9 173 223 L E S >X S+ 0 0 56 -4,-1.3 4,-1.1 -5,-0.3 3,-0.5 -0.844 100.1 30.1-146.7 175.4 30.9 9.1 25.9 174 224 L G H 3> S- 0 0 29 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 -0.177 113.8 -22.0 72.1-160.0 32.1 12.7 26.0 175 225 L G H 3> S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.829 135.7 53.2 -57.1 -36.5 31.1 15.3 28.5 176 226 L V H <> S+ 0 0 10 -3,-0.5 4,-2.5 -6,-0.3 -1,-0.2 0.942 110.4 48.0 -67.9 -46.4 27.9 13.6 29.6 177 227 L A H X S+ 0 0 1 -4,-1.1 4,-2.5 1,-0.2 -2,-0.2 0.886 110.5 52.6 -57.4 -39.7 29.7 10.4 30.3 178 228 L R H X S+ 0 0 153 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.916 108.7 49.9 -61.9 -44.5 32.3 12.4 32.2 179 229 L A H X S+ 0 0 26 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.897 112.8 46.7 -59.0 -45.5 29.4 14.0 34.3 180 230 L I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.873 110.5 53.4 -62.4 -40.8 27.9 10.5 35.0 181 231 L S H X>S+ 0 0 31 -4,-2.5 4,-1.4 1,-0.2 5,-0.9 0.917 111.9 43.9 -63.2 -44.4 31.4 9.2 35.9 182 232 L K H <5S+ 0 0 143 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.885 120.4 39.9 -67.8 -37.8 32.0 11.9 38.4 183 233 L T H <5S+ 0 0 9 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.900 126.0 32.7 -84.0 -40.7 28.6 11.8 40.0 184 234 L A H <5S- 0 0 12 -4,-3.0 -107,-0.2 -5,-0.2 -3,-0.2 0.564 100.1-124.1 -92.2 -13.6 28.0 8.1 40.1 185 235 L K T <5 + 0 0 168 -4,-1.4 2,-0.4 -5,-0.4 -3,-0.2 0.966 63.1 141.4 61.6 53.7 31.6 6.9 40.6 186 236 L I < - 0 0 4 -5,-0.9 -1,-0.3 -6,-0.3 -2,-0.1 -0.980 53.5-112.4-127.7 135.7 31.4 4.8 37.5 187 237 L S > - 0 0 46 -2,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.342 18.2-123.4 -69.0 149.8 34.3 4.4 35.1 188 238 L L H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 115.1 59.4 -56.6 -33.8 34.2 5.8 31.5 189 239 L E H > S+ 0 0 149 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.887 105.2 45.4 -61.4 -46.2 34.9 2.2 30.5 190 240 L D H 4 S+ 0 0 48 -3,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.890 113.6 51.1 -66.1 -40.1 31.8 0.8 32.2 191 241 L I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.952 113.6 43.0 -62.9 -45.8 29.6 3.6 30.8 192 242 L K H 3< S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.791 107.4 62.4 -71.2 -27.2 30.8 3.0 27.2 193 243 L G T 3< S+ 0 0 47 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.379 71.8 130.8 -83.3 3.0 30.6 -0.7 27.6 194 244 L Y < - 0 0 11 -3,-1.2 2,-0.4 -4,-0.2 -125,-0.0 -0.345 35.5-172.8 -59.8 134.7 26.8 -0.8 28.1 195 245 L K - 0 0 141 132,-0.1 2,-0.1 -2,-0.0 -110,-0.1 -0.998 18.9-133.2-133.4 133.2 25.0 -3.3 25.9 196 246 L V - 0 0 22 -2,-0.4 2,-0.4 -112,-0.1 -129,-0.2 -0.414 20.7-138.5 -67.7 151.8 21.2 -3.9 25.4 197 247 L E E -E 66 0A 82 -131,-2.3 -131,-3.4 -2,-0.1 2,-0.5 -0.984 4.6-152.2-116.2 132.9 20.0 -7.5 25.4 198 248 L V E +E 65 0A 60 -2,-0.4 2,-0.3 -133,-0.2 -133,-0.2 -0.887 26.0 179.1 -98.7 129.2 17.3 -8.8 23.0 199 249 L R E 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