==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-03 1OCN . COMPND 2 MOLECULE: CELLOBIOHYDROLASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR A.VARROT,J.MACDONALD,R.V.STICK,G.PELL,H.J.GILBERT, . 360 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.7 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 0 1 0 1 2 0 0 0 2 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 3 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 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 . 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 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 91 A G 0 0 98 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.6 10.6 21.3 6.8 2 92 A N > - 0 0 28 1,-0.2 3,-2.1 2,-0.1 293,-0.0 -0.638 360.0-152.7 -72.2 117.8 11.0 18.4 9.4 3 93 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.2 0, 0.0 171,-0.0 0.652 94.6 60.8 -71.2 -11.8 7.6 16.6 9.6 4 94 A F T > S+ 0 0 9 2,-0.1 3,-0.7 291,-0.1 2,-0.4 0.527 86.2 95.3 -84.0 -8.9 8.5 15.6 13.2 5 95 A E T < S+ 0 0 138 -3,-2.1 3,-0.1 1,-0.2 298,-0.0 -0.696 88.5 15.9 -82.1 134.6 8.7 19.3 14.2 6 96 A G T 3 S+ 0 0 58 -2,-0.4 70,-0.5 1,-0.3 2,-0.3 0.563 112.4 80.4 85.0 8.7 5.6 20.9 15.7 7 97 A V < - 0 0 20 -3,-0.7 2,-0.3 68,-0.1 -1,-0.3 -0.941 66.8-134.0-132.9 162.1 3.8 17.7 16.5 8 98 A Q E -a 77 0A 64 68,-2.6 70,-2.2 -2,-0.3 2,-0.5 -0.818 32.6-111.0-108.5 160.4 3.8 15.0 19.1 9 99 A L E -a 78 0A 27 -2,-0.3 2,-0.3 68,-0.2 70,-0.2 -0.796 24.9-129.7 -98.2 127.2 3.7 11.3 18.1 10 100 A W - 0 0 40 68,-2.3 2,-0.6 -2,-0.5 70,-0.2 -0.561 11.4-140.6 -75.0 132.6 0.6 9.3 18.8 11 101 A A - 0 0 9 -2,-0.3 34,-0.1 32,-0.2 -1,-0.0 -0.818 30.7-129.8 -90.3 119.7 1.2 5.9 20.6 12 102 A N > - 0 0 9 -2,-0.6 4,-1.8 32,-0.5 32,-0.1 -0.295 4.4-128.0 -83.5 159.6 -1.2 3.5 18.9 13 103 A N H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.671 100.7 66.3 -80.4 -19.1 -3.7 1.2 20.5 14 104 A Y H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.970 110.0 37.0 -65.0 -52.2 -2.7 -2.0 18.8 15 105 A Y H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 116.7 53.7 -66.4 -42.0 0.7 -2.0 20.6 16 106 A R H X S+ 0 0 50 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.940 109.5 48.1 -57.9 -42.6 -0.8 -0.6 23.8 17 107 A S H X S+ 0 0 61 -4,-2.3 4,-2.7 1,-0.2 5,-0.5 0.886 108.0 55.1 -66.8 -37.6 -3.3 -3.5 23.8 18 108 A E H X>S+ 0 0 11 -4,-2.1 4,-2.3 2,-0.2 5,-1.4 0.950 112.3 43.8 -55.8 -50.8 -0.5 -6.0 23.1 19 109 A V H X>S+ 0 0 0 -4,-2.4 5,-3.1 3,-0.2 4,-0.6 0.957 119.4 40.6 -64.2 -45.1 1.3 -4.8 26.1 20 110 A H H <5S+ 0 0 76 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.840 126.3 32.7 -74.0 -33.4 -1.7 -4.6 28.4 21 111 A T H <5S+ 0 0 87 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.792 133.1 23.0 -93.7 -30.6 -3.5 -7.8 27.3 22 112 A L H <5S+ 0 0 82 -4,-2.3 -3,-0.2 -5,-0.5 4,-0.2 0.782 129.6 31.6-107.5 -36.0 -0.5 -10.1 26.4 23 113 A A T >< - 0 0 84 1,-0.1 4,-2.4 2,-0.1 5,-0.2 -0.409 68.9-140.0 -63.5 124.9 6.9 -7.9 39.8 30 120 A P H > S+ 0 0 103 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.906 99.6 46.0 -54.5 -46.4 5.4 -4.5 40.8 31 121 A A H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 114.0 49.0 -67.3 -38.3 8.2 -2.4 39.3 32 122 A L H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.867 108.6 52.9 -69.3 -35.6 8.4 -4.4 36.1 33 123 A R H X S+ 0 0 105 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.917 110.9 47.7 -61.6 -43.6 4.6 -4.1 35.6 34 124 A A H X S+ 0 0 64 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.891 111.3 50.2 -65.3 -40.2 4.9 -0.4 36.0 35 125 A A H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.930 109.4 51.5 -63.5 -43.8 7.8 -0.3 33.5 36 126 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.924 107.3 53.0 -59.2 -41.5 5.9 -2.3 30.9 37 127 A S H < S+ 0 0 46 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.886 107.1 52.5 -63.5 -36.6 3.0 0.0 31.2 38 128 A A H >< S+ 0 0 40 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.889 104.8 55.4 -66.1 -37.0 5.3 2.9 30.5 39 129 A V H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.862 97.2 64.4 -63.0 -36.6 6.7 1.2 27.3 40 130 A A T 3< S+ 0 0 1 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.690 99.1 54.7 -61.1 -19.6 3.1 1.0 26.0 41 131 A E T < S+ 0 0 95 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.396 80.1 105.6 -92.7 -4.7 3.0 4.8 25.9 42 132 A V S < S- 0 0 11 -3,-2.0 2,-1.1 -4,-0.2 -30,-0.1 -0.710 79.0-121.5 -77.1 127.2 6.2 5.1 23.7 43 133 A P + 0 0 23 0, 0.0 264,-0.5 0, 0.0 2,-0.2 -0.571 42.2 168.9 -84.0 99.7 5.0 6.0 20.2 44 134 A S - 0 0 2 -2,-1.1 -32,-0.5 262,-0.1 264,-0.2 -0.645 41.2 -84.2 -99.9 160.1 6.1 3.4 17.7 45 135 A F - 0 0 1 262,-2.6 2,-0.5 -2,-0.2 36,-0.2 -0.348 35.0-132.8 -63.2 145.2 5.1 3.0 14.1 46 136 A Q E -b 81 0B 7 34,-2.5 36,-2.6 263,-0.1 2,-0.5 -0.842 23.0-137.2 -98.2 132.5 1.9 1.0 13.3 47 137 A W E -b 82 0B 38 -2,-0.5 2,-1.3 34,-0.2 3,-0.2 -0.784 13.9-156.3-100.3 130.2 2.4 -1.5 10.5 48 138 A L E +b 83 0B 0 34,-3.1 36,-1.2 -2,-0.5 6,-0.1 -0.592 41.3 147.7 -95.9 68.6 -0.1 -2.1 7.7 49 139 A D + 0 0 40 -2,-1.3 2,-0.3 34,-0.1 50,-0.3 0.538 60.5 39.3 -85.6 -10.7 1.3 -5.7 7.2 50 140 A R S > S- 0 0 83 -3,-0.2 3,-1.7 48,-0.1 4,-0.4 -0.990 82.9-120.8-139.2 145.1 -2.0 -7.2 6.1 51 141 A N T >> S+ 0 0 68 -2,-0.3 3,-1.9 1,-0.3 4,-0.5 0.860 109.9 64.4 -55.6 -38.3 -4.7 -5.8 3.8 52 142 A V H 3> S+ 0 0 87 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.748 89.7 68.8 -63.2 -20.0 -7.3 -6.1 6.5 53 143 A T H <4>S+ 0 0 0 -3,-1.7 5,-2.6 1,-0.2 6,-0.3 0.712 85.7 71.4 -68.2 -22.4 -5.4 -3.5 8.6 54 144 A V H <4>S+ 0 0 2 -3,-1.9 5,-1.2 -4,-0.4 -1,-0.2 0.961 106.6 30.3 -63.8 -53.5 -6.2 -0.7 6.1 55 145 A D H <5S+ 0 0 92 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.616 132.6 35.1 -82.5 -11.7 -9.9 -0.4 6.9 56 146 A T T X5S+ 0 0 68 -4,-0.8 4,-2.7 3,-0.1 5,-0.2 0.748 126.0 20.6-104.6 -83.2 -9.5 -1.4 10.6 57 147 A L H >5S+ 0 0 49 -5,-0.2 4,-2.6 2,-0.2 5,-0.3 0.882 125.7 48.8 -66.6 -39.2 -6.3 -0.3 12.3 58 148 A L H >S+ 0 0 24 -4,-2.4 5,-2.0 2,-0.2 -1,-0.2 0.917 114.3 47.6 -63.3 -40.0 -7.6 13.8 20.4 69 159 A N H ><5S+ 0 0 16 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.928 110.5 50.8 -71.6 -43.3 -6.5 16.8 18.2 70 160 A Q H 3<5S+ 0 0 148 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.793 104.8 59.5 -59.5 -29.5 -10.1 18.2 18.1 71 161 A A T 3<5S- 0 0 89 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.429 131.5 -90.9 -80.5 0.7 -10.2 17.9 21.9 72 162 A G T < 5 + 0 0 53 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.599 56.8 177.2 104.3 18.4 -7.2 20.3 22.1 73 163 A A < - 0 0 20 -5,-2.0 -1,-0.2 1,-0.0 4,-0.0 -0.217 26.0-133.2 -53.4 133.8 -4.0 18.2 22.1 74 164 A N S S+ 0 0 145 1,-0.2 2,-0.2 2,-0.1 -67,-0.1 -0.973 92.2 25.3-140.9 123.1 -1.0 20.5 22.1 75 165 A P S S- 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -68,-0.1 0.656 111.2-112.5 -58.3 162.9 1.2 20.0 20.2 76 166 A Q - 0 0 83 -70,-0.5 -68,-2.6 -2,-0.2 2,-0.2 -0.337 32.6-109.6 -62.1 148.6 -1.2 18.2 17.8 77 167 A Y E -a 8 0A 60 -12,-0.2 51,-0.4 -70,-0.2 2,-0.3 -0.583 28.2-158.3 -81.0 145.8 -0.6 14.4 17.3 78 168 A A E -a 9 0A 0 -70,-2.2 -68,-2.3 -2,-0.2 2,-0.3 -0.892 15.7-122.2-120.4 150.3 0.8 12.9 14.1 79 169 A A E - c 0 129B 1 49,-2.6 51,-2.9 -2,-0.3 2,-0.4 -0.667 12.8-157.4 -89.7 148.8 0.5 9.3 12.8 80 170 A Q E + c 0 130B 7 -2,-0.3 -34,-2.5 -70,-0.2 2,-0.4 -0.986 22.6 172.1-127.9 114.2 3.4 7.0 12.1 81 171 A I E -bc 46 131B 2 49,-2.8 51,-2.3 -2,-0.4 2,-0.5 -0.970 23.9-148.3-131.7 139.4 2.5 4.2 9.6 82 172 A V E -bc 47 132B 0 -36,-2.6 -34,-3.1 -2,-0.4 2,-0.7 -0.937 9.9-148.0-107.0 128.5 4.5 1.5 7.8 83 173 A V E +bc 48 133B 0 49,-2.6 51,-2.5 -2,-0.5 -34,-0.1 -0.858 35.3 155.4 -89.7 113.8 3.3 0.3 4.3 84 174 A Y + 0 0 14 -36,-1.2 49,-0.0 -2,-0.7 -2,-0.0 -0.509 29.0 96.6-147.9 72.1 4.4 -3.3 4.3 85 175 A D + 0 0 0 -2,-0.1 -1,-0.1 13,-0.1 15,-0.1 0.125 37.6 154.6-151.8 31.2 2.5 -5.6 2.0 86 176 A L > - 0 0 1 -3,-0.1 3,-0.7 1,-0.1 14,-0.3 -0.231 52.9-104.0 -56.6 149.4 4.4 -6.0 -1.3 87 177 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.479 111.2 23.2 -70.3 147.9 3.6 -9.2 -3.2 88 178 A D T 3 S- 0 0 28 12,-2.2 3,-0.3 1,-0.1 13,-0.1 0.922 98.9-170.5 53.4 46.9 6.5 -11.7 -2.8 89 179 A R < + 0 0 15 -3,-0.7 9,-0.2 11,-0.5 -1,-0.1 -0.237 57.3 19.6 -63.3 153.7 7.4 -9.8 0.3 90 180 A D S > S- 0 0 22 45,-0.3 3,-2.0 7,-0.1 -1,-0.2 0.922 76.6-175.6 55.7 56.3 10.6 -10.4 2.2 91 181 A a T 3 S+ 0 0 8 -3,-0.3 59,-0.3 1,-0.3 58,-0.2 0.692 71.6 50.3 -69.7 -20.9 12.2 -12.0 -0.8 92 182 A A T 3 S+ 0 0 42 57,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.341 114.6 35.8 -98.0 2.9 15.5 -13.1 0.7 93 183 A A < - 0 0 26 -3,-2.0 3,-0.3 1,-0.1 233,-0.1 -0.986 66.0-137.4-153.0 150.1 14.1 -14.8 3.9 94 184 A A S > S+ 0 0 37 -2,-0.3 3,-1.7 1,-0.2 232,-0.1 0.723 83.5 86.2 -78.3 -24.0 11.0 -17.0 4.7 95 185 A A T 3 S+ 0 0 0 1,-0.3 246,-0.5 221,-0.1 222,-0.2 0.760 97.9 28.8 -62.1 -35.3 10.1 -15.4 8.0 96 186 A S T 3 S+ 0 0 23 -3,-0.3 -1,-0.3 -6,-0.2 -2,-0.1 0.000 76.9 156.3-116.1 30.5 7.9 -12.5 6.9 97 187 A N < - 0 0 59 -3,-1.7 -7,-0.1 -7,-0.1 2,-0.1 -0.282 36.5-136.4 -48.4 134.4 6.5 -13.9 3.7 98 188 A G - 0 0 18 2,-0.3 -10,-0.1 -9,-0.2 -48,-0.1 -0.264 18.5 -96.3 -97.3-175.3 3.3 -12.0 3.1 99 189 A E S S+ 0 0 98 -50,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.643 97.7 67.6 -75.6 -20.9 -0.3 -12.8 2.1 100 190 A W - 0 0 37 -14,-0.3 -12,-2.2 -15,-0.1 -11,-0.5 -0.842 58.9-160.9-115.4 144.5 0.2 -12.0 -1.6 101 191 A A > > - 0 0 40 -2,-0.3 5,-1.5 3,-0.3 3,-1.5 -0.959 24.0-134.4-118.9 139.9 2.1 -13.6 -4.5 102 192 A I G > 5S+ 0 0 46 -2,-0.4 3,-0.7 1,-0.3 5,-0.4 0.908 109.9 55.2 -54.5 -41.7 3.1 -11.9 -7.7 103 193 A A G 3 5S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.1 2,-0.0 0.606 107.0 52.9 -71.6 -11.3 2.0 -15.1 -9.6 104 194 A N G < 5S- 0 0 127 -3,-1.5 -3,-0.3 0, 0.0 -1,-0.3 -0.425 134.1 -70.9-126.1 58.5 -1.5 -14.9 -7.9 105 195 A N T <>5S+ 0 0 85 -3,-0.7 4,-2.5 -5,-0.1 5,-0.2 0.650 84.0 144.4 71.9 21.3 -2.8 -11.4 -8.7 106 196 A G H >< + 0 0 0 -5,-1.5 4,-2.5 -4,-0.4 -4,-0.2 0.835 66.1 52.3 -63.1 -40.9 -0.3 -9.7 -6.3 107 197 A V H > S+ 0 0 32 -5,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.947 113.6 44.1 -60.0 -52.4 0.3 -6.6 -8.4 108 198 A N H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.911 113.3 51.2 -59.3 -41.8 -3.4 -5.9 -8.7 109 199 A N H X S+ 0 0 45 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.922 112.5 46.4 -61.8 -42.9 -4.0 -6.6 -5.1 110 200 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.891 109.0 52.6 -69.8 -42.2 -1.2 -4.2 -4.0 111 201 A K H X S+ 0 0 53 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.913 110.6 49.5 -60.7 -38.8 -2.3 -1.4 -6.3 112 202 A A H X S+ 0 0 56 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.901 109.6 51.7 -63.3 -39.5 -5.8 -1.7 -4.8 113 203 A Y H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.934 111.6 46.3 -62.2 -48.5 -4.3 -1.6 -1.3 114 204 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.925 111.9 52.0 -60.2 -42.1 -2.3 1.5 -2.1 115 205 A N H X S+ 0 0 67 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.883 110.8 47.1 -63.2 -40.3 -5.4 3.1 -3.7 116 206 A R H X S+ 0 0 87 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.909 110.8 51.3 -69.4 -41.2 -7.5 2.4 -0.6 117 207 A I H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.939 110.1 51.2 -57.6 -45.3 -4.8 3.8 1.7 118 208 A R H X S+ 0 0 99 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.926 108.2 51.0 -57.3 -46.8 -4.7 6.9 -0.5 119 209 A E H X S+ 0 0 115 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.922 112.8 46.4 -58.1 -45.6 -8.5 7.3 -0.2 120 210 A I H X S+ 0 0 2 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.948 112.0 49.0 -62.0 -49.2 -8.3 7.0 3.6 121 211 A L H >< S+ 0 0 1 -4,-3.0 3,-1.1 1,-0.2 6,-0.2 0.920 108.9 53.3 -62.1 -41.9 -5.4 9.4 3.9 122 212 A I H >< S+ 0 0 85 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.891 108.0 51.7 -56.9 -40.1 -7.2 12.0 1.6 123 213 A S H 3< S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.598 111.8 48.0 -70.2 -15.6 -10.2 11.7 4.0 124 214 A F T X< + 0 0 9 -3,-1.1 3,-2.1 -4,-0.8 -1,-0.3 -0.297 65.5 138.4-118.7 45.3 -7.9 12.4 7.0 125 215 A S T < + 0 0 78 -3,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.614 66.4 67.6 -68.8 -7.2 -6.1 15.4 5.6 126 216 A D T 3 S+ 0 0 76 -3,-0.1 2,-0.5 1,-0.1 -1,-0.3 0.356 88.7 75.8 -88.1 -0.5 -6.3 16.9 9.0 127 217 A V S < S- 0 0 0 -3,-2.1 -49,-0.1 -6,-0.2 2,-0.1 -0.941 82.8-131.9-118.3 110.9 -3.9 14.3 10.4 128 218 A R - 0 0 96 -2,-0.5 -49,-2.6 -51,-0.4 2,-0.5 -0.433 30.7-161.4 -59.8 127.9 -0.2 14.7 9.7 129 219 A T E -cd 79 173B 0 43,-2.2 45,-2.0 -51,-0.2 2,-0.5 -0.971 14.0-164.4-128.1 121.8 0.9 11.3 8.5 130 220 A I E -cd 80 174B 0 -51,-2.9 -49,-2.8 -2,-0.5 2,-0.4 -0.918 15.7-165.2-108.5 125.5 4.4 10.0 8.4 131 221 A L E -cd 81 175B 2 43,-3.1 45,-2.5 -2,-0.5 2,-0.5 -0.905 19.5-157.7-115.8 139.5 5.0 6.9 6.3 132 222 A V E -cd 82 176B 0 -51,-2.3 -49,-2.6 -2,-0.4 2,-0.7 -0.966 27.0-139.3-103.7 127.6 7.8 4.4 6.0 133 223 A I E -cd 83 177B 3 43,-2.5 45,-1.8 -2,-0.5 -49,-0.1 -0.815 56.1 -38.5 -98.8 112.5 7.6 2.6 2.6 134 224 A E > - 0 0 2 -51,-2.5 3,-1.6 -2,-0.7 4,-0.5 0.849 66.0-130.2 51.2 69.0 8.2 -1.1 2.4 135 225 A P T 3 S+ 0 0 6 0, 0.0 -45,-0.3 0, 0.0 -1,-0.1 -0.127 84.1 4.3 -42.1 137.0 11.1 -2.1 4.7 136 226 A D T 3> S+ 0 0 38 1,-0.1 4,-2.5 -46,-0.1 5,-0.2 0.055 97.9 107.3 77.4 -23.5 13.8 -4.3 3.1 137 227 A S H <> S+ 0 0 8 -3,-1.6 4,-1.4 1,-0.2 -1,-0.1 0.941 84.7 33.7 -56.7 -56.1 12.4 -4.2 -0.4 138 228 A L H > S+ 0 0 5 -4,-0.5 4,-1.5 40,-0.2 -1,-0.2 0.861 114.9 57.8 -74.6 -31.3 14.9 -1.8 -2.1 139 229 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.928 105.7 51.3 -62.1 -40.0 17.8 -3.0 -0.0 140 230 A N H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.851 105.3 57.1 -59.4 -36.9 17.1 -6.6 -1.4 141 231 A M H < S+ 0 0 18 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.813 108.9 46.9 -65.9 -29.1 17.2 -5.1 -4.9 142 232 A V H < S+ 0 0 31 -4,-1.5 3,-0.2 -3,-0.4 -2,-0.2 0.961 130.2 13.9 -71.6 -54.1 20.7 -3.8 -4.3 143 233 A T H < S+ 0 0 38 -4,-2.0 3,-0.3 1,-0.1 -2,-0.2 0.494 115.6 61.3-107.1 -16.8 22.4 -6.9 -2.8 144 234 A N >< + 0 0 35 -4,-2.3 3,-2.0 -5,-0.2 7,-0.4 0.056 53.2 119.9-112.4 35.4 20.2 -10.0 -3.3 145 235 A M T 3 S+ 0 0 87 1,-0.3 -1,-0.2 -3,-0.2 6,-0.1 0.652 71.9 67.7 -75.9 -8.0 19.9 -10.4 -7.1 146 236 A N T 3 S+ 0 0 130 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.582 83.3 84.8 -76.7 -15.3 21.6 -13.8 -6.6 147 237 A V S <> S- 0 0 39 -3,-2.0 4,-2.6 1,-0.1 3,-0.5 -0.822 79.0-142.6 -89.5 117.8 18.4 -15.0 -4.8 148 238 A P H > S+ 0 0 108 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.860 98.3 51.3 -52.5 -42.9 15.9 -16.1 -7.5 149 239 A K H > S+ 0 0 84 -58,-0.2 4,-1.1 2,-0.2 -57,-0.1 0.898 113.7 45.4 -62.8 -35.5 12.8 -14.8 -5.7 150 240 A a H > S+ 0 0 0 -3,-0.5 4,-1.3 -59,-0.3 3,-0.5 0.949 113.5 48.3 -71.7 -45.7 14.4 -11.4 -5.3 151 241 A S H < S+ 0 0 61 -4,-2.6 4,-0.4 -7,-0.4 3,-0.4 0.911 113.8 48.3 -58.0 -44.1 15.7 -11.3 -8.9 152 242 A G H < S+ 0 0 54 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.740 114.5 46.2 -69.5 -24.0 12.2 -12.3 -10.1 153 243 A A H X S+ 0 0 0 -4,-1.1 4,-3.0 -3,-0.5 3,-0.3 0.618 86.8 91.5 -92.5 -13.0 10.5 -9.6 -7.9 154 244 A A H X S+ 0 0 21 -4,-1.3 4,-2.5 -3,-0.4 5,-0.2 0.850 86.0 45.9 -59.1 -45.6 12.8 -6.7 -8.8 155 245 A S H > S+ 0 0 94 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.896 115.8 48.0 -66.9 -34.8 10.9 -5.2 -11.7 156 246 A T H > S+ 0 0 16 -4,-0.3 4,-2.8 -3,-0.3 5,-0.3 0.930 110.1 51.5 -68.1 -44.7 7.6 -5.6 -9.8 157 247 A Y H X S+ 0 0 2 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.927 111.3 48.9 -57.3 -43.3 9.1 -3.9 -6.6 158 248 A R H X S+ 0 0 80 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.955 113.1 45.3 -64.1 -47.6 10.3 -1.0 -8.7 159 249 A E H X S+ 0 0 86 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.918 116.5 45.7 -60.8 -46.4 7.0 -0.5 -10.5 160 250 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.818 110.1 53.4 -71.4 -31.0 5.1 -0.8 -7.2 161 251 A T H X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.943 110.3 46.7 -65.1 -51.6 7.4 1.5 -5.3 162 252 A I H X S+ 0 0 30 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.931 111.8 53.5 -58.0 -40.6 7.1 4.2 -7.8 163 253 A Y H X S+ 0 0 54 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.937 110.8 44.8 -57.1 -48.6 3.3 3.7 -7.8 164 254 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.914 111.0 52.9 -62.9 -45.9 3.2 4.1 -4.0 165 255 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 115.7 40.5 -60.4 -39.5 5.4 7.2 -4.0 166 256 A K H >< S+ 0 0 115 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.912 116.6 47.8 -73.3 -43.6 3.2 8.9 -6.5 167 257 A Q H 3< S+ 0 0 46 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.870 114.9 44.3 -68.7 -33.2 -0.1 7.8 -5.1 168 258 A L T 3< S+ 0 0 0 -4,-2.5 2,-1.7 -5,-0.2 -1,-0.2 0.337 77.7 117.8 -98.5 12.5 0.7 8.7 -1.5 169 259 A D < + 0 0 57 -3,-0.9 40,-0.1 -4,-0.2 -1,-0.1 -0.573 43.1 151.7 -78.4 81.5 2.3 12.1 -2.4 170 260 A L > - 0 0 20 -2,-1.7 3,-2.0 1,-0.1 -2,-0.0 -0.870 57.7-113.1-120.7 147.8 -0.3 14.1 -0.5 171 261 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.747 115.3 44.6 -56.0 -28.1 0.1 17.6 1.2 172 262 A H T 3 S+ 0 0 27 -45,-0.1 -43,-2.2 -51,-0.1 2,-0.3 0.326 101.5 88.5 -98.2 9.3 -0.2 16.3 4.8 173 263 A V E < -d 129 0B 6 -3,-2.0 2,-0.4 -45,-0.2 -43,-0.2 -0.778 51.9-167.0-110.6 145.0 2.0 13.2 4.3 174 264 A A E -d 130 0B 10 -45,-2.0 -43,-3.1 -2,-0.3 2,-0.4 -0.995 14.9-159.9-126.2 132.5 5.8 12.7 4.6 175 265 A M E -de 131 211B 0 35,-3.0 37,-2.4 -2,-0.4 38,-1.4 -0.923 11.9-171.5-114.7 140.2 7.4 9.5 3.2 176 266 A Y E -de 132 213B 0 -45,-2.5 -43,-2.5 -2,-0.4 38,-0.3 -0.997 19.6-141.1-123.4 121.4 10.7 7.8 4.0 177 267 A M E -de 133 214B 2 36,-2.3 38,-2.4 -2,-0.4 2,-0.2 -0.607 30.6-105.9 -77.6 140.6 11.7 4.9 1.8 178 268 A D E - e 0 215B 3 -45,-1.8 -40,-0.2 -2,-0.3 38,-0.2 -0.483 36.9-178.2 -66.0 140.5 13.4 2.1 3.6 179 269 A A - 0 0 0 36,-2.7 6,-0.2 1,-0.4 -1,-0.1 -0.186 32.7-119.5-137.4 43.4 17.1 2.0 3.1 180 270 A G - 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