==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE, LYASE 19-NOV-08 3FBT . COMPND 2 MOLECULE: CHORISMATE MUTASE AND SHIKIMATE 5-DEHYDROGENASE . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; . AUTHOR J.B.BONANNO,M.GILMORE,K.T.BAIN,S.HU,R.ROMERO,S.WASSERMAN, . 1081 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 780 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 163 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 3.2 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 62 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 5 3 4 3 4 0 8 1 6 1 0 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 8 13 4 0 4 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 . 1 4 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 8 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 96 A L 0 0 117 0, 0.0 287,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.1 7.5 6.7 31.9 2 97 A N - 0 0 71 308,-0.1 2,-0.5 1,-0.1 307,-0.1 -0.249 360.0-120.5 -55.0 146.9 7.2 5.1 28.4 3 98 A T - 0 0 21 305,-0.1 30,-0.2 30,-0.0 2,-0.2 -0.813 33.3-114.9 -88.6 128.8 10.1 3.1 26.9 4 99 A S E -a 33 0A 52 28,-1.6 30,-1.5 -2,-0.5 2,-0.5 -0.523 28.2-142.8 -61.4 130.9 11.3 4.6 23.7 5 100 A I E +a 34 0A 5 51,-0.3 53,-2.1 28,-0.2 54,-0.8 -0.875 28.3 164.6-101.3 122.4 10.6 2.3 20.8 6 101 A Y E +ab 35 59A 3 28,-2.7 30,-1.7 -2,-0.5 2,-0.3 -0.754 11.4 138.0-126.4 172.3 13.3 2.1 18.0 7 102 A G E -ab 36 60A 0 52,-0.9 54,-3.2 28,-0.3 2,-0.4 -0.993 46.6 -88.3 175.6-170.8 13.7 -0.5 15.3 8 103 A L E -ab 37 61A 27 28,-2.1 30,-3.2 -2,-0.3 2,-0.5 -0.991 30.3-154.6-127.8 131.8 14.3 -1.5 11.7 9 104 A I E +ab 38 62A 0 52,-3.2 54,-2.8 -2,-0.4 2,-0.3 -0.920 30.0 137.7-110.3 139.5 11.6 -1.8 9.1 10 105 A G E -a 39 0A 0 28,-1.5 30,-2.2 -2,-0.5 3,-0.2 -0.918 59.4-104.7-156.9 175.2 11.9 -4.0 6.0 11 106 A E S S+ 0 0 71 53,-1.6 2,-0.4 1,-0.3 -1,-0.1 0.951 107.6 7.9 -80.4 -46.8 9.5 -6.4 4.2 12 107 A K S S- 0 0 171 52,-0.4 2,-0.5 27,-0.1 -1,-0.3 -0.972 78.3-165.7-131.6 125.4 11.1 -9.6 5.4 13 108 A L - 0 0 33 -2,-0.4 3,-0.1 -3,-0.2 2,-0.1 -0.899 4.4-169.6-120.1 131.8 13.7 -9.5 8.2 14 109 A G - 0 0 55 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.286 48.4 -47.6 -94.9-175.6 16.2 -12.2 9.4 15 110 A H - 0 0 168 -2,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.094 61.8-163.5 -42.2 149.3 18.5 -12.4 12.4 16 111 A S >> - 0 0 19 1,-0.1 3,-1.0 -3,-0.1 4,-0.8 -0.869 36.3-157.0-155.3 125.1 20.6 -9.4 12.9 17 112 A H H 3> S+ 0 0 27 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.691 91.9 76.5 -63.2 -17.1 23.7 -8.3 14.8 18 113 A S H 3> S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.864 89.2 53.2 -61.2 -42.4 22.3 -4.7 14.6 19 114 A S H <> S+ 0 0 23 -3,-1.0 4,-2.5 2,-0.2 5,-0.2 0.953 108.1 48.9 -59.5 -44.7 19.8 -5.1 17.3 20 115 A Y H X S+ 0 0 68 -4,-0.8 4,-2.5 1,-0.3 -1,-0.2 0.938 110.6 54.2 -64.3 -38.4 22.2 -6.4 19.8 21 116 A I H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.888 107.3 48.1 -58.3 -47.6 24.3 -3.5 18.9 22 117 A H H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.883 108.7 54.0 -61.8 -36.9 21.6 -1.0 19.6 23 118 A K H X S+ 0 0 89 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.937 107.4 50.6 -69.9 -38.9 20.8 -2.5 22.9 24 119 A L H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.830 109.5 52.4 -58.7 -32.6 24.5 -2.2 24.0 25 120 A I H X S+ 0 0 2 -4,-1.4 4,-2.7 -5,-0.2 -1,-0.2 0.910 105.0 54.1 -74.1 -40.2 24.4 1.4 22.9 26 121 A F H X>S+ 0 0 8 -4,-2.4 5,-3.0 2,-0.2 4,-0.6 0.869 111.4 46.1 -57.8 -41.6 21.3 2.1 25.0 27 122 A E H ><5S+ 0 0 114 -4,-1.8 3,-1.3 3,-0.2 -2,-0.2 0.987 114.2 47.8 -66.4 -52.0 23.1 0.7 28.1 28 123 A K H 3<5S+ 0 0 68 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.803 120.7 34.9 -60.9 -34.8 26.3 2.7 27.4 29 124 A V H 3<5S- 0 0 46 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.408 113.7-114.7 -98.6 4.6 24.7 6.0 26.8 30 125 A G T <<5 + 0 0 65 -3,-1.3 2,-0.5 -4,-0.6 -3,-0.2 0.922 59.1 153.1 64.6 51.7 21.9 5.4 29.4 31 126 A I < - 0 0 34 -5,-3.0 2,-0.8 -6,-0.1 -1,-0.2 -0.916 42.5-139.8-108.8 134.2 18.9 5.3 27.1 32 127 A K + 0 0 112 -2,-0.5 -28,-1.6 -30,-0.1 2,-0.3 -0.842 57.9 121.4 -90.0 109.6 15.8 3.3 28.2 33 128 A G E -a 4 0A 20 -2,-0.8 2,-0.3 -30,-0.2 -28,-0.2 -0.950 51.1-141.3-162.1 161.2 14.8 1.8 24.8 34 129 A I E -a 5 0A 14 -30,-1.5 -28,-2.7 -2,-0.3 2,-0.4 -0.965 10.2-152.1-131.1 159.8 14.2 -1.3 22.8 35 130 A Y E +a 6 0A 16 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.3 -0.974 21.9 178.3-135.8 114.0 15.1 -2.0 19.1 36 131 A N E -a 7 0A 4 -30,-1.7 -28,-2.1 -2,-0.4 2,-0.5 -0.827 32.4-119.6-116.8 151.6 12.9 -4.4 17.3 37 132 A L E -a 8 0A 31 -2,-0.3 2,-0.6 -30,-0.2 -28,-0.2 -0.838 32.4-160.6 -87.5 125.8 12.8 -5.7 13.7 38 133 A F E -a 9 0A 4 -30,-3.2 -28,-1.5 -2,-0.5 2,-0.6 -0.937 6.7-151.2-114.0 110.9 9.4 -4.8 12.2 39 134 A E E +a 10 0A 61 -2,-0.6 -28,-0.2 288,-0.2 -27,-0.1 -0.719 19.7 179.1 -80.3 125.1 8.2 -6.7 9.2 40 135 A V - 0 0 0 -30,-2.2 5,-0.1 -2,-0.6 -2,-0.0 -0.979 24.0-129.8-133.1 119.6 5.9 -4.5 7.1 41 136 A P > - 0 0 45 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.326 29.1-109.5 -69.6 154.0 4.3 -5.6 3.8 42 137 A K G > S+ 0 0 122 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.849 113.8 55.5 -53.8 -42.5 4.7 -3.4 0.7 43 138 A E G 3 S+ 0 0 135 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.652 109.4 48.5 -73.1 -9.3 1.1 -2.2 0.6 44 139 A K G <> S+ 0 0 82 -3,-1.8 4,-2.3 1,-0.1 -1,-0.3 0.195 71.4 108.5-113.9 15.5 1.2 -0.9 4.1 45 140 A L H <> S+ 0 0 14 -3,-1.4 4,-2.3 2,-0.2 5,-0.2 0.930 84.0 46.9 -60.4 -39.5 4.4 1.2 4.4 46 141 A K H > S+ 0 0 99 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.977 112.0 46.8 -74.3 -49.3 2.7 4.4 4.5 47 142 A E H > S+ 0 0 60 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 113.9 49.4 -56.2 -41.8 0.1 3.5 7.1 48 143 A S H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.942 109.7 49.5 -64.1 -48.6 2.7 1.9 9.4 49 144 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.924 109.3 54.4 -53.6 -41.7 5.0 4.8 9.2 50 145 A D H X S+ 0 0 29 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.932 109.5 47.5 -60.8 -43.6 2.0 7.1 10.1 51 146 A T H X S+ 0 0 2 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.937 107.9 54.8 -65.8 -39.9 1.3 5.0 13.2 52 147 A F H <>S+ 0 0 1 -4,-2.9 5,-2.6 1,-0.2 4,-0.3 0.931 108.2 48.8 -57.9 -39.5 4.9 5.1 14.2 53 148 A K H ><5S+ 0 0 75 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.968 111.8 51.4 -65.8 -40.6 4.7 8.9 14.1 54 149 A I H 3<5S+ 0 0 36 -4,-2.5 258,-0.2 1,-0.3 -2,-0.2 0.907 110.1 45.9 -63.1 -42.2 1.5 8.7 16.2 55 150 A I T 3<5S- 0 0 12 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.406 117.1-113.5 -83.3 11.4 2.9 6.5 18.9 56 151 A K T < 5 - 0 0 161 -3,-1.4 -51,-0.3 -4,-0.3 -3,-0.2 0.912 36.4-156.0 63.1 38.0 6.1 8.7 19.0 57 152 A C < - 0 0 6 -5,-2.6 35,-0.2 -6,-0.2 -51,-0.2 -0.193 13.6-135.4 -36.2 132.4 8.5 6.1 17.8 58 153 A G - 0 0 18 -53,-2.1 34,-0.2 1,-0.2 2,-0.2 0.727 69.6 -47.1 -67.7 -23.5 12.0 7.0 19.0 59 154 A G E -b 6 0A 0 -54,-0.8 -52,-0.9 32,-0.1 2,-0.4 -0.661 52.9-140.4 154.8 142.1 13.6 6.4 15.5 60 155 A L E -bC 7 90A 0 30,-1.4 30,-2.7 -54,-0.2 2,-0.3 -0.992 5.6-146.3-127.1 135.9 13.7 3.7 12.7 61 156 A N E -bC 8 89A 6 -54,-3.2 -52,-3.2 -2,-0.4 2,-0.4 -0.730 23.0-149.2 -85.1 152.0 16.2 2.2 10.4 62 157 A V E +b 9 0A 4 26,-2.2 -52,-0.2 -2,-0.3 2,-0.2 -0.985 21.3 167.3-123.1 134.1 14.9 1.3 6.9 63 158 A T > + 0 0 46 -54,-2.8 3,-2.7 -2,-0.4 4,-0.2 -0.466 37.9 8.1-123.8-155.0 16.1 -1.5 4.8 64 159 A I T 3 S+ 0 0 109 1,-0.3 -53,-1.6 2,-0.2 -52,-0.4 -0.399 119.6 8.6 -73.3 142.8 15.0 -3.4 1.6 65 160 A P T 3 S+ 0 0 35 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 -0.732 123.6 58.6 -98.6 46.2 12.8 -2.7 -0.2 66 161 A Y <> + 0 0 6 -3,-2.7 4,-2.5 -57,-0.2 5,-0.2 0.390 63.8 101.5-119.2 6.2 11.9 0.7 1.3 67 162 A K T 4 S+ 0 0 21 -4,-0.2 20,-2.8 1,-0.2 -1,-0.1 0.795 101.0 24.9 -70.6 -28.0 15.0 2.9 1.1 68 163 A V T >4 S+ 0 0 64 18,-0.2 3,-2.2 -3,-0.2 4,-0.4 0.832 121.2 55.0 -94.8 -48.1 13.8 4.9 -1.9 69 164 A E G >4 S+ 0 0 92 -4,-0.3 3,-1.7 1,-0.3 -2,-0.2 0.873 100.4 60.9 -57.6 -37.3 10.0 4.3 -1.4 70 165 A V G >< S+ 0 0 1 -4,-2.5 3,-2.0 1,-0.3 -1,-0.3 0.715 84.2 78.8 -61.8 -21.1 10.0 5.7 2.1 71 166 A M G X S+ 0 0 43 -3,-2.2 3,-1.4 1,-0.3 -1,-0.3 0.791 79.6 70.3 -60.8 -26.6 11.3 9.0 0.8 72 167 A K G < S+ 0 0 150 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.722 98.4 51.4 -57.5 -19.7 7.7 9.8 -0.2 73 168 A E G < S+ 0 0 45 -3,-2.0 24,-0.4 -4,-0.2 2,-0.3 0.476 88.9 93.3 -99.9 -7.5 6.8 10.1 3.4 74 169 A L < - 0 0 20 -3,-1.4 24,-0.2 -4,-0.3 3,-0.1 -0.679 57.0-154.7-102.3 143.5 9.4 12.5 4.7 75 170 A Y S S+ 0 0 87 22,-2.1 2,-0.3 -2,-0.3 23,-0.2 0.729 86.0 14.4 -86.2 -16.4 9.0 16.2 5.0 76 171 A E E -d 98 0A 112 21,-0.9 23,-1.8 -3,-0.0 2,-0.3 -0.993 62.0-166.3-154.1 156.9 12.7 16.7 4.7 77 172 A I E -d 99 0A 52 -2,-0.3 23,-0.2 21,-0.2 5,-0.1 -0.996 32.3-104.6-146.5 131.1 15.8 14.6 3.7 78 173 A S > - 0 0 33 21,-2.7 4,-2.4 -2,-0.3 5,-0.2 -0.197 30.2-113.8 -59.5 160.9 19.6 15.4 4.4 79 174 A E H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.959 117.1 51.2 -61.0 -56.3 21.8 16.6 1.5 80 175 A K H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 111.2 47.3 -42.3 -51.7 23.9 13.4 1.6 81 176 A A H >>S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-1.3 0.883 109.4 53.8 -67.7 -36.5 20.8 11.1 1.4 82 177 A R H <5S+ 0 0 203 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.928 112.0 44.3 -56.7 -46.8 19.3 13.1 -1.4 83 178 A K H <5S+ 0 0 105 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.883 114.5 48.6 -68.4 -40.2 22.5 12.7 -3.4 84 179 A I H <5S- 0 0 13 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.862 103.3-135.5 -69.4 -34.1 22.8 9.0 -2.6 85 180 A G T <5S+ 0 0 28 -4,-2.2 2,-0.3 -5,-0.2 -3,-0.2 0.708 70.4 79.3 84.7 22.2 19.2 8.5 -3.5 86 181 A A < - 0 0 2 -5,-1.3 2,-0.5 -18,-0.1 -18,-0.2 -0.977 59.9-148.0-162.4 144.6 18.2 6.3 -0.5 87 182 A V + 0 0 0 -20,-2.8 14,-0.2 -2,-0.3 -17,-0.1 -0.951 18.7 168.1-117.3 128.9 17.3 6.8 3.1 88 183 A N + 0 0 7 12,-1.6 -26,-2.2 -2,-0.5 2,-0.3 0.402 66.6 55.7-115.3 5.7 18.2 4.2 5.8 89 184 A T E -CE 61 100A 0 11,-1.8 11,-2.3 -28,-0.3 2,-0.4 -0.998 61.1-162.8-141.1 131.2 17.4 6.3 8.9 90 185 A L E -CE 60 99A 0 -30,-2.7 -30,-1.4 -2,-0.3 2,-0.5 -0.961 2.4-161.7-120.4 128.1 14.2 8.1 10.0 91 186 A K E - E 0 98A 38 7,-2.7 7,-2.8 -2,-0.4 2,-0.5 -0.944 11.7-150.1-107.1 127.0 14.0 10.8 12.6 92 187 A F E + E 0 97A 29 -2,-0.5 2,-0.3 -34,-0.2 5,-0.2 -0.816 30.1 146.4 -95.4 133.1 10.6 11.6 14.1 93 188 A S - 0 0 55 3,-2.7 3,-0.4 -2,-0.5 -37,-0.1 -0.902 61.5 -71.0-145.6-171.9 9.8 15.0 15.3 94 189 A R S S+ 0 0 110 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.920 127.9 48.2 -43.4 -57.5 6.9 17.6 15.6 95 190 A E S S- 0 0 144 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.901 121.6-100.7 -52.4 -38.3 6.7 18.3 11.9 96 191 A G - 0 0 5 -3,-0.4 -3,-2.7 -5,-0.1 2,-0.4 -0.971 64.2 -19.3 143.9-140.8 6.7 14.6 10.9 97 192 A I E - E 0 92A 1 -24,-0.4 -22,-2.1 -2,-0.3 -21,-0.9 -0.861 50.1-172.3-116.1 132.5 9.5 12.3 9.7 98 193 A S E -dE 76 91A 4 -7,-2.8 -7,-2.7 -2,-0.4 2,-0.3 -0.863 15.9-128.9-122.3 170.2 12.8 13.3 8.1 99 194 A G E +dE 77 90A 0 -23,-1.8 -21,-2.7 -2,-0.3 2,-0.3 -0.871 23.5 167.5-128.5 143.8 15.4 11.1 6.5 100 195 A F E - E 0 89A 51 -11,-2.3 -11,-1.8 -2,-0.3 -12,-1.6 -0.860 28.1-130.1-137.8 176.3 19.2 10.5 6.6 101 196 A N + 0 0 7 -2,-0.3 4,-0.5 -14,-0.2 3,-0.1 -0.922 23.3 170.4-136.2 106.2 21.6 8.0 5.4 102 197 A T > + 0 0 0 -2,-0.4 4,-2.3 2,-0.2 142,-0.1 0.416 68.4 78.9-102.0 2.5 24.1 6.6 7.9 103 198 A D H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 95.7 52.4 -60.4 -45.4 25.6 3.8 5.6 104 199 A Y H > S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.923 112.3 44.4 -53.2 -44.7 27.6 6.7 4.1 105 200 A I H > S+ 0 0 64 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.927 113.5 49.6 -73.6 -44.4 28.8 7.7 7.6 106 201 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.888 108.6 52.8 -58.4 -40.5 29.5 4.2 8.7 107 202 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.3 0.967 109.4 49.2 -66.4 -45.4 31.5 3.5 5.6 108 203 A G H X S+ 0 0 8 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.852 108.2 53.5 -59.8 -35.2 33.7 6.6 6.2 109 204 A K H X S+ 0 0 117 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.864 107.2 52.4 -70.1 -33.2 34.3 5.6 9.8 110 205 A M H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.3 -2,-0.2 0.906 109.2 47.4 -66.3 -45.6 35.5 2.2 8.7 111 206 A L H <>S+ 0 0 4 -4,-1.9 5,-2.1 2,-0.2 4,-0.3 0.972 115.1 46.8 -60.8 -52.5 38.1 3.6 6.2 112 207 A S H ><5S+ 0 0 84 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.944 110.5 52.8 -55.3 -50.3 39.5 6.1 8.8 113 208 A K H 3<5S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.873 119.1 32.8 -60.9 -42.5 39.7 3.5 11.5 114 209 A F T 3<5S- 0 0 67 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.241 111.7-121.2 -93.6 17.1 41.7 1.1 9.4 115 210 A R T < 5 + 0 0 71 -3,-2.0 2,-0.8 -4,-0.3 -3,-0.2 0.906 48.7 165.9 51.0 52.6 43.4 4.0 7.6 116 211 A V < - 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