==== 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 HYDROLASE/RNA 06-JUL-09 3I5X . COMPND 2 MOLECULE: ATP-DEPENDENT RNA HELICASE MSS116; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.DEL CAMPO,A.M.LAMBOWITZ . 509 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 31 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 2 3 1 1 1 1 3 0 1 1 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 6 5 1 0 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 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 88 A S 0 0 79 0, 0.0 2,-0.4 0, 0.0 236,-0.2 0.000 360.0 360.0 360.0 151.0 95.5 35.4 25.5 2 89 A K E -a 237 0A 133 234,-2.0 236,-3.0 1,-0.1 2,-0.6 -0.484 360.0-151.8 -74.3 119.7 93.4 36.3 28.6 3 90 A L E -a 238 0A 36 -2,-0.4 2,-0.6 234,-0.2 236,-0.2 -0.821 8.8-160.2 -89.8 119.3 89.9 34.8 28.8 4 91 A I E -a 239 0A 49 234,-3.3 236,-2.9 -2,-0.6 2,-0.5 -0.899 9.1-145.9-104.6 115.3 87.5 37.0 30.7 5 92 A H E +a 240 0A 92 -2,-0.6 236,-0.2 234,-0.2 234,-0.1 -0.688 18.7 180.0 -83.4 123.7 84.4 35.2 32.0 6 93 A V E -a 241 0A 46 234,-2.6 236,-2.2 -2,-0.5 3,-0.1 -0.848 23.4-163.7-117.1 90.6 81.1 37.0 32.1 7 94 A P - 0 0 84 0, 0.0 238,-0.1 0, 0.0 2,-0.1 -0.114 29.4 -78.8 -72.0 168.9 78.7 34.4 33.5 8 95 A K - 0 0 90 236,-0.4 2,-0.3 233,-0.1 235,-0.1 -0.416 52.0-169.4 -62.4 140.6 74.9 34.4 33.5 9 96 A E - 0 0 124 1,-0.2 3,-0.3 -2,-0.1 236,-0.0 -0.962 18.4-139.7-137.6 155.3 73.4 36.5 36.2 10 97 A D S S+ 0 0 102 -2,-0.3 2,-1.6 1,-0.2 -1,-0.2 0.958 84.2 29.9 -79.2 -90.4 69.8 37.0 37.6 11 98 A N S S+ 0 0 109 3,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.550 77.7 142.2 -83.0 84.1 68.7 40.6 38.5 12 99 A S - 0 0 59 -2,-1.6 -3,-0.0 -3,-0.3 0, 0.0 -0.991 61.1 -87.8-127.5 131.2 70.6 42.8 36.0 13 100 A K - 0 0 95 -2,-0.4 2,-0.1 1,-0.1 -2,-0.0 0.052 48.7-114.1 -39.4 126.6 69.2 45.9 34.2 14 101 A E - 0 0 125 1,-0.1 2,-0.4 5,-0.0 -1,-0.1 -0.395 22.9-141.5 -67.3 138.7 67.4 45.0 31.0 15 102 A V + 0 0 38 27,-0.1 27,-0.4 -2,-0.1 2,-0.3 -0.869 24.6 179.2-100.0 134.3 68.9 46.2 27.7 16 103 A T > - 0 0 46 -2,-0.4 4,-2.2 25,-0.1 5,-0.2 -0.843 44.2-107.7-128.7 165.2 66.5 47.4 25.0 17 104 A L H > S+ 0 0 25 -2,-0.3 4,-2.0 1,-0.2 9,-0.2 0.894 121.8 50.5 -57.0 -41.6 66.8 48.9 21.5 18 105 A D H > S+ 0 0 99 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.936 109.3 48.2 -62.2 -50.0 65.8 52.3 23.0 19 106 A S H > S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 6,-0.2 0.857 112.7 48.9 -63.4 -36.1 68.3 52.2 25.8 20 107 A L H <>S+ 0 0 4 -4,-2.2 5,-1.6 2,-0.2 6,-1.4 0.868 114.6 46.3 -68.2 -37.8 71.1 51.3 23.4 21 108 A L H ><5S+ 0 0 58 -4,-2.0 3,-1.5 4,-0.2 -2,-0.2 0.942 113.1 48.7 -64.1 -50.5 69.9 54.1 21.1 22 109 A E H 3<5S+ 0 0 174 -4,-3.7 -2,-0.2 1,-0.3 -1,-0.2 0.814 111.3 51.0 -57.8 -34.9 69.6 56.6 24.1 23 110 A E T 3<5S- 0 0 102 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.390 115.6-114.0 -89.7 0.4 73.2 55.6 25.2 24 111 A G T < 5S+ 0 0 59 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.437 86.9 112.2 84.6 -0.2 74.7 56.1 21.7 25 112 A V S - 0 0 60 -2,-0.4 4,-1.9 1,-0.1 3,-0.3 -0.412 28.9-108.8 -79.1 159.5 72.3 54.5 15.4 28 115 A K H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.844 113.9 58.9 -57.3 -37.6 68.7 55.5 14.5 29 116 A E H > S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.875 110.6 38.7 -68.6 -38.9 68.7 53.6 11.2 30 117 A I H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 5,-0.3 0.843 113.9 55.8 -79.1 -34.0 69.5 50.1 12.7 31 118 A H H X S+ 0 0 27 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.913 109.1 49.3 -56.3 -45.5 67.2 50.9 15.7 32 119 A K H X S+ 0 0 83 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.898 108.6 51.3 -60.7 -48.2 64.4 51.5 13.2 33 120 A A H < S+ 0 0 0 -4,-1.5 4,-0.3 2,-0.2 -2,-0.2 0.936 116.3 39.2 -58.1 -49.8 65.0 48.3 11.2 34 121 A I H >< S+ 0 0 2 -4,-2.1 3,-1.4 1,-0.2 5,-0.5 0.887 111.8 57.1 -73.8 -38.6 64.9 46.0 14.2 35 122 A T H >< S+ 0 0 64 -4,-2.5 3,-2.3 -5,-0.3 -1,-0.2 0.909 100.5 59.0 -56.8 -42.9 62.0 47.9 15.9 36 123 A R T 3< S+ 0 0 127 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.620 92.1 68.2 -65.8 -12.9 59.8 47.4 12.8 37 124 A M T < S- 0 0 38 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.601 99.4-142.1 -76.8 -13.1 60.3 43.6 13.3 38 125 A E < + 0 0 173 -3,-2.3 -3,-0.1 -4,-0.3 -2,-0.1 0.865 32.3 171.4 54.6 46.5 58.1 44.1 16.4 39 126 A F - 0 0 97 -5,-0.5 -1,-0.2 1,-0.1 3,-0.1 -0.646 43.7-119.5 -76.9 144.7 59.9 41.6 18.8 40 127 A P S S- 0 0 148 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.889 81.8 -42.4 -54.3 -45.1 58.7 41.9 22.4 41 128 A G S S- 0 0 32 -25,-0.0 2,-0.3 -24,-0.0 -25,-0.1 -0.879 80.2 -59.9-157.4-166.8 62.2 42.8 23.5 42 129 A L - 0 0 12 -27,-0.4 -27,-0.1 -2,-0.3 28,-0.0 -0.708 56.4-114.7 -83.6 141.8 65.8 41.8 22.8 43 130 A T > - 0 0 38 -2,-0.3 4,-2.8 27,-0.1 5,-0.2 -0.327 31.9-102.3 -70.8 158.5 66.7 38.2 23.7 44 131 A P H > S+ 0 0 89 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.897 122.5 48.7 -49.6 -47.6 69.2 37.6 26.5 45 132 A V H > S+ 0 0 0 24,-0.4 4,-1.8 1,-0.2 5,-0.2 0.885 112.5 49.4 -64.6 -35.9 72.1 36.9 24.2 46 133 A Q H > S+ 0 0 8 23,-0.4 4,-1.7 -3,-0.2 -1,-0.2 0.924 110.0 50.3 -66.2 -44.3 71.3 40.0 22.2 47 134 A Q H < S+ 0 0 47 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.856 116.1 43.9 -59.3 -34.3 71.1 42.1 25.4 48 135 A K H < S+ 0 0 40 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.776 119.6 34.9 -85.3 -28.2 74.5 40.7 26.5 49 136 A T H X S+ 0 0 1 -4,-1.8 4,-2.4 -5,-0.2 5,-0.2 0.690 93.5 76.8-106.7 -24.0 76.6 40.9 23.3 50 137 A I H X S+ 0 0 1 -4,-1.7 4,-1.4 -5,-0.2 -3,-0.1 0.945 101.5 39.9 -60.6 -52.1 75.6 44.0 21.2 51 138 A K H > S+ 0 0 105 -4,-0.3 4,-1.1 1,-0.2 3,-0.3 0.945 116.7 48.4 -65.9 -49.4 77.5 46.6 23.3 52 139 A P H >4 S+ 0 0 31 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.902 108.2 54.9 -57.6 -40.8 80.6 44.5 24.0 53 140 A I H 3< S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.881 114.3 41.7 -58.2 -37.0 81.0 43.6 20.3 54 141 A L H 3< S+ 0 0 30 -4,-1.4 -1,-0.2 -3,-0.3 -3,-0.1 0.572 88.6 118.0 -87.1 -11.8 80.9 47.3 19.5 55 142 A S S << S- 0 0 39 -4,-1.1 4,-0.2 -3,-0.6 -30,-0.0 -0.209 71.7-126.4 -59.1 146.7 83.2 48.5 22.3 56 143 A S S S+ 0 0 121 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.413 73.5 120.7 -75.9 2.1 86.5 50.1 21.4 57 144 A E S S- 0 0 101 -5,-0.2 2,-1.7 1,-0.1 180,-0.0 -0.381 76.0-116.3 -65.3 147.7 88.3 47.6 23.6 58 145 A D S S+ 0 0 92 -2,-0.1 179,-0.8 180,-0.0 178,-0.4 -0.549 70.5 122.4 -89.8 71.9 90.8 45.4 21.8 59 146 A H E -b 237 0A 2 -2,-1.7 179,-0.2 -4,-0.2 2,-0.2 -0.949 56.2-133.4-136.9 154.3 89.1 42.1 22.4 60 147 A D E -b 238 0A 0 177,-2.3 179,-2.9 -2,-0.3 2,-0.4 -0.577 29.1-137.2 -91.2 165.5 87.6 39.0 20.7 61 148 A V E -bc 239 215A 1 153,-2.2 155,-2.6 177,-0.2 2,-0.4 -0.986 17.2-172.4-132.2 135.9 84.2 37.7 21.8 62 149 A I E -bc 240 216A 0 177,-3.2 179,-3.2 -2,-0.4 2,-0.4 -0.995 15.3-170.5-121.5 134.1 82.8 34.2 22.4 63 150 A A E -bc 241 217A 0 153,-3.2 155,-1.4 -2,-0.4 2,-0.4 -0.991 10.2-165.7-131.3 132.0 79.1 33.9 23.1 64 151 A R E +bc 242 218A 16 177,-2.0 179,-2.1 -2,-0.4 2,-0.3 -0.966 21.0 152.0-118.0 133.9 77.0 30.9 24.3 65 152 A A - 0 0 0 153,-1.0 3,-0.1 -2,-0.4 4,-0.1 -0.965 44.1 -99.0-161.2 138.1 73.2 30.9 24.1 66 153 A K > - 0 0 16 -2,-0.3 3,-1.1 1,-0.2 5,-0.2 -0.036 55.5 -74.6 -61.5 158.9 70.7 28.1 23.7 67 154 A T T 3 S+ 0 0 3 183,-0.4 -1,-0.2 1,-0.2 316,-0.1 -0.225 114.2 16.9 -54.7 137.5 69.1 27.1 20.4 68 155 A G T 3 S+ 0 0 11 314,-0.1 315,-2.1 -3,-0.1 -1,-0.2 0.619 87.9 116.6 79.1 18.9 66.5 29.5 19.0 69 156 A T S < S- 0 0 26 -3,-1.1 -24,-0.4 313,-0.1 -23,-0.4 0.114 89.7 -91.3-112.6 20.6 67.3 32.5 21.1 70 157 A G > + 0 0 25 -25,-0.1 4,-1.5 -26,-0.1 -27,-0.1 0.753 66.7 150.2 88.5 30.0 68.4 35.0 18.5 71 158 A K H > S+ 0 0 22 -5,-0.2 4,-1.2 1,-0.2 5,-0.2 0.833 70.1 64.4 -61.2 -30.2 72.2 34.5 18.1 72 159 A T H >> S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 3,-1.2 0.971 107.5 37.6 -60.6 -56.1 72.0 35.6 14.4 73 160 A F H 3> S+ 0 0 16 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.791 104.4 72.9 -68.8 -23.7 70.8 39.2 15.1 74 161 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.837 113.2 26.4 -57.5 -32.6 73.1 39.3 18.2 75 162 A F H S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.787 112.4 58.1 -66.1 -25.4 76.5 45.2 15.9 79 166 A I H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.959 108.1 45.7 -66.4 -50.2 77.9 44.5 12.4 80 167 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.892 111.3 53.6 -54.3 -42.7 75.5 46.9 10.8 81 168 A Q H X S+ 0 0 5 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.898 107.5 50.5 -62.4 -39.8 76.3 49.5 13.5 82 169 A H H X S+ 0 0 28 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.893 108.4 52.6 -63.3 -40.1 80.0 49.1 12.7 83 170 A L H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.876 111.8 46.0 -62.8 -37.6 79.3 49.7 9.1 84 171 A I H >< S+ 0 0 19 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.927 109.7 54.8 -68.9 -45.3 77.4 52.8 10.0 85 172 A N H 3< S+ 0 0 97 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.774 121.0 30.2 -56.6 -31.3 80.2 54.0 12.3 86 173 A T T >< S+ 0 0 27 -4,-1.5 3,-2.1 -5,-0.1 -1,-0.3 -0.042 79.5 133.5-119.4 29.7 82.8 53.7 9.5 87 174 A K T < S+ 0 0 71 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.713 71.6 49.6 -63.4 -24.7 80.5 54.5 6.5 88 175 A F T 3 S+ 0 0 172 -4,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.430 98.1 83.0 -92.1 1.2 82.9 57.0 4.8 89 176 A D S < S- 0 0 99 -3,-2.1 4,-0.2 1,-0.2 -3,-0.1 -0.924 111.7 -20.5-111.9 126.5 85.9 54.6 5.0 90 177 A S S > S+ 0 0 43 -2,-0.5 3,-1.9 1,-0.1 -1,-0.2 0.886 76.5 174.4 49.7 49.7 86.6 51.9 2.5 91 178 A Q T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -3,-0.2 4,-0.1 0.665 70.9 50.5 -70.0 -19.5 83.0 52.0 1.5 92 179 A Y T 3 S+ 0 0 139 2,-0.1 -1,-0.3 58,-0.1 2,-0.3 0.206 98.3 94.7 -96.5 12.9 83.3 49.5 -1.4 93 180 A M S < S- 0 0 38 -3,-1.9 2,-0.5 -4,-0.2 78,-0.1 -0.760 82.3-103.6-115.9 153.4 85.1 46.9 0.7 94 181 A V + 0 0 0 76,-2.2 79,-0.4 -2,-0.3 56,-0.2 -0.589 38.3 169.6 -73.5 119.7 84.2 43.8 2.8 95 182 A K + 0 0 6 55,-2.5 80,-2.4 -2,-0.5 81,-1.9 0.618 64.1 38.2-106.7 -19.4 84.2 44.8 6.4 96 183 A A E -de 151 176A 1 54,-1.8 56,-2.5 79,-0.2 2,-0.5 -0.995 60.1-167.8-137.8 130.7 82.6 41.7 8.0 97 184 A V E -de 152 177A 0 79,-2.0 81,-2.7 -2,-0.4 2,-0.5 -0.982 6.3-169.3-118.0 121.5 83.0 38.0 7.0 98 185 A I E -de 153 178A 0 54,-2.6 56,-2.6 -2,-0.5 2,-0.4 -0.953 5.7-165.0-113.8 124.4 80.5 35.5 8.4 99 186 A V E -de 154 179A 2 79,-2.7 81,-1.7 -2,-0.5 56,-0.2 -0.908 5.6-174.7-114.2 137.8 81.3 31.7 7.9 100 187 A A - 0 0 0 54,-2.2 81,-0.1 -2,-0.4 6,-0.1 -0.945 31.7-126.6-130.1 152.7 78.9 28.9 8.5 101 188 A P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 54,-0.1 0.661 93.3 43.6 -74.6 -16.2 79.4 25.1 8.3 102 189 A T S > S- 0 0 23 1,-0.1 4,-2.1 52,-0.1 5,-0.1 -0.961 74.9-131.1-128.9 152.8 76.5 24.5 5.8 103 190 A R H > S+ 0 0 79 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.928 108.4 53.0 -62.8 -45.6 75.5 26.3 2.6 104 191 A D H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.848 109.0 49.6 -62.9 -33.1 71.8 26.5 3.7 105 192 A L H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 110.3 50.5 -71.5 -39.8 72.8 28.1 7.0 106 193 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.953 112.7 47.3 -57.9 -49.9 75.0 30.7 5.1 107 194 A L H X S+ 0 0 33 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.840 109.8 53.2 -61.1 -36.2 72.0 31.4 2.8 108 195 A Q H X S+ 0 0 10 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.898 107.4 50.8 -64.7 -42.9 69.7 31.7 5.8 109 196 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.920 110.3 50.6 -61.7 -41.7 72.0 34.3 7.5 110 197 A E H X S+ 0 0 16 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.873 107.0 53.7 -59.3 -40.9 72.0 36.2 4.2 111 198 A A H X S+ 0 0 44 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.858 107.0 52.5 -64.6 -34.5 68.2 36.1 4.1 112 199 A E H X S+ 0 0 19 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.848 106.3 51.9 -70.3 -37.6 68.2 37.6 7.6 113 200 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.4 0.921 108.0 53.8 -57.1 -45.4 70.5 40.5 6.4 114 201 A K H X S+ 0 0 104 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.794 102.5 57.0 -62.3 -29.6 67.9 41.0 3.7 115 202 A K H X S+ 0 0 100 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.869 105.9 49.8 -66.9 -38.0 65.1 41.3 6.3 116 203 A I H X S+ 0 0 0 -4,-1.4 4,-1.0 -3,-0.4 3,-0.4 0.930 110.3 50.7 -63.3 -46.3 67.1 44.1 7.9 117 204 A H H < S+ 0 0 18 -4,-2.1 3,-0.3 1,-0.2 6,-0.3 0.851 109.1 52.7 -55.4 -38.4 67.4 45.8 4.5 118 205 A D H < S+ 0 0 93 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.780 105.7 51.9 -71.9 -29.9 63.6 45.4 4.0 119 206 A M H < S+ 0 0 63 -4,-1.4 -1,-0.2 -3,-0.4 2,-0.2 0.627 127.8 19.7 -81.6 -16.9 62.7 47.0 7.3 120 207 A N >< - 0 0 13 -4,-1.0 3,-2.5 -3,-0.3 4,-0.3 -0.681 61.6-165.6-153.8 99.2 64.9 50.1 6.4 121 208 A Y G > S+ 0 0 164 -3,-0.3 3,-1.2 1,-0.3 4,-0.3 0.699 87.1 73.9 -57.1 -22.2 65.8 50.7 2.7 122 209 A G G 3 S+ 0 0 38 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.598 90.7 58.1 -65.5 -13.3 68.5 53.2 4.0 123 210 A L G X S+ 0 0 1 -3,-2.5 3,-2.1 -6,-0.3 -1,-0.2 0.549 78.5 88.8 -92.5 -10.7 70.5 50.2 5.1 124 211 A K T < S+ 0 0 106 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.744 72.3 73.8 -57.7 -25.4 70.7 48.6 1.5 125 212 A K T 3 S+ 0 0 126 -3,-0.3 2,-1.1 -4,-0.3 -1,-0.3 0.719 85.1 69.6 -60.4 -22.7 73.9 50.7 0.9 126 213 A Y S < S- 0 0 11 -3,-2.1 -1,-0.2 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23.2 -90.5 -36.3 79.4 14.6 29.2 408 495 A K H < - 0 0 47 -2,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.389 24.6-116.0 -70.4 159.6 53.7 -6.0 15.7 422 509 A E H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.825 115.2 63.2 -64.8 -28.9 53.9 -8.3 12.7 423 510 A E H > S+ 0 0 144 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 103.4 43.6 -61.6 -48.9 51.3 -6.0 11.1 424 511 A I H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.893 112.4 54.2 -67.5 -37.8 53.4 -2.9 11.0 425 512 A K H X S+ 0 0 41 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.939 111.0 44.8 -59.5 -48.7 56.4 -4.8 9.7 426 513 A S H X S+ 0 0 53 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.917 112.3 52.6 -60.8 -46.0 54.4 -6.2 6.8 427 514 A E H X S+ 0 0 83 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.928 116.6 38.2 -57.2 -48.3 52.9 -2.8 6.0 428 515 A V H >X S+ 0 0 4 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.949 118.7 46.2 -69.9 -48.9 56.3 -1.1 5.9 429 516 A L H >< S+ 0 0 23 -4,-2.8 3,-0.8 -5,-0.2 -2,-0.2 0.824 103.8 60.3 -68.4 -33.6 58.4 -3.9 4.2 430 517 A E H 3< S+ 0 0 157 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 0.773 104.7 49.5 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451 538 A R H >< S+ 0 0 59 -4,-2.6 3,-1.0 -5,-0.3 4,-0.3 0.904 103.6 54.8 -56.4 -39.7 82.0 2.3 13.2 452 539 A S H 3< S+ 0 0 104 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.687 111.4 42.0 -72.4 -19.3 83.2 5.9 13.2 453 540 A C T >S+ 0 0 26 -3,-1.0 5,-2.1 -4,-0.4 4,-0.8 0.940 87.2 41.0 -57.1 -50.6 82.1 3.7 18.6 455 542 A K H >45S+ 0 0 147 -4,-0.3 3,-0.7 3,-0.2 -1,-0.2 0.947 114.5 50.8 -64.8 -50.2 84.8 5.4 20.7 456 543 A E H 345S+ 0 0 85 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 121.6 32.8 -56.3 -42.0 83.0 8.7 21.1 457 544 A Y H 3<5S- 0 0 0 -4,-2.2 -1,-0.2 -54,-0.0 -54,-0.2 0.432 107.4-122.8 -98.5 0.6 79.7 7.0 22.3 458 545 A R T <<5 + 0 0 114 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.887 48.2 171.4 60.1 42.5 81.4 4.1 24.1 459 546 A F < - 0 0 14 -5,-2.1 2,-0.8 -6,-0.3 -1,-0.1 -0.369 40.9-114.4 -73.2 158.4 79.6 1.4 22.0 460 547 A S >> - 0 0 34 -64,-0.4 4,-3.1 1,-0.2 3,-1.2 -0.903 23.8-155.2 -90.0 111.6 80.6 -2.2 22.3 461 548 A E H 3> S+ 0 0 82 -2,-0.8 4,-1.7 1,-0.3 -1,-0.2 0.888 91.0 56.7 -54.0 -44.3 81.9 -2.9 18.8 462 549 A R H 34 S+ 0 0 161 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.682 118.3 32.9 -66.3 -19.6 81.1 -6.7 19.0 463 550 A R H <> S+ 0 0 129 -3,-1.2 4,-1.7 3,-0.1 -2,-0.2 0.831 118.4 47.4 -99.4 -47.1 77.5 -5.9 19.7 464 551 A I H X S+ 0 0 1 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.907 109.1 50.4 -67.7 -43.5 76.7 -2.7 17.8 465 552 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.930 112.4 45.5 -67.4 -45.3 78.2 -3.6 14.4 466 553 A P H > S+ 0 0 28 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.905 112.9 52.8 -59.3 -39.0 76.5 -7.0 14.1 467 554 A E H < S+ 0 0 19 -4,-1.7 4,-0.4 2,-0.2 -201,-0.3 0.918 111.5 44.7 -63.6 -44.5 73.2 -5.4 15.2 468 555 A I H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 4,-0.3 0.929 113.4 51.1 -63.2 -45.5 73.5 -2.7 12.5 469 556 A A H >< S+ 0 0 4 -4,-2.6 3,-2.0 1,-0.3 4,-0.4 0.867 98.2 66.5 -58.7 -37.7 74.5 -5.3 9.9 470 557 A S T 3X S+ 0 0 32 -4,-2.3 4,-2.0 1,-0.3 -1,-0.3 0.619 79.3 82.6 -64.4 -13.0 71.4 -7.5 10.8 471 558 A T H <> S+ 0 0 0 -3,-1.5 4,-2.9 -4,-0.4 -1,-0.3 0.833 82.7 62.9 -54.8 -34.6 69.2 -4.7 9.4 472 559 A Y H <> S+ 0 0 15 -3,-2.0 4,-1.7 -4,-0.3 -1,-0.2 0.950 106.9 40.7 -58.1 -52.2 69.9 -6.2 6.0 473 560 A G H 4>S+ 0 0 0 -4,-0.4 5,-3.1 8,-0.4 -1,-0.2 0.853 113.9 54.1 -63.9 -37.8 68.1 -9.5 6.9 474 561 A V H ><5S+ 0 0 11 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.956 110.1 46.5 -61.4 -48.8 65.4 -7.6 8.8 475 562 A L H 3<5S+ 0 0 12 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.790 113.9 47.2 -67.5 -29.1 64.6 -5.5 5.7 476 563 A L T 3<5S- 0 0 61 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.293 115.0-119.7 -90.1 8.6 64.6 -8.6 3.4 477 564 A N T < 5S+ 0 0 111 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.805 86.0 102.8 58.1 35.4 62.4 -10.4 6.0 478 565 A D > < - 0 0 65 -5,-3.1 3,-2.0 -6,-0.1 -2,-0.1 -0.738 51.6-168.6-144.9 91.7 64.9 -13.2 6.6 479 566 A P T 3 S+ 0 0 109 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 0.491 83.9 53.1 -71.3 -5.0 66.8 -12.6 9.9 480 567 A Q T 3 S+ 0 0 175 -7,-0.2 2,-0.4 2,-0.1 -6,-0.0 0.336 83.4 108.6-103.7 6.0 69.5 -15.3 9.4 481 568 A L < - 0 0 67 -3,-2.0 -8,-0.4 -11,-0.1 2,-0.2 -0.686 56.7-157.7 -79.9 127.9 70.5 -13.8 6.0 482 569 A K - 0 0 75 -2,-0.4 23,-0.2 -10,-0.1 22,-0.1 -0.666 30.9 -86.2-102.8 164.8 73.9 -12.1 6.1 483 570 A I E -n 505 0C 0 21,-1.8 23,-2.2 -2,-0.2 2,-0.3 -0.568 43.0-130.1 -75.1 117.9 75.2 -9.4 3.8 484 571 A P E +n 506 0C 48 0, 0.0 2,-0.2 0, 0.0 23,-0.2 -0.545 44.3 150.9 -72.7 126.3 76.8 -11.0 0.7 485 572 A V E -n 507 0C 13 21,-2.6 23,-1.0 -2,-0.3 2,-0.2 -0.863 40.9 -99.7-144.1 175.9 80.3 -9.5 0.1 486 573 A S > - 0 0 58 -2,-0.2 4,-2.4 21,-0.2 5,-0.1 -0.655 26.9-121.6 -98.4 159.2 83.8 -10.2 -1.4 487 574 A R H > S+ 0 0 85 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.909 116.2 55.8 -62.6 -43.1 87.0 -11.1 0.5 488 575 A R H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.887 109.2 47.1 -55.2 -43.0 88.7 -8.0 -1.1 489 576 A F H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.934 111.1 49.8 -64.2 -49.1 85.9 -5.9 0.4 490 577 A L H X>S+ 0 0 15 -4,-2.4 5,-2.0 1,-0.2 4,-1.0 0.880 109.7 52.4 -58.3 -41.8 86.1 -7.5 3.9 491 578 A D H ><5S+ 0 0 84 -4,-2.9 3,-0.6 2,-0.2 -1,-0.2 0.913 107.4 52.2 -57.0 -46.9 89.9 -6.9 3.8 492 579 A K H 3<5S+ 0 0 86 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.910 108.4 51.0 -56.0 -44.2 89.2 -3.3 3.0 493 580 A L H 3<5S- 0 0 47 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.712 110.6-125.4 -66.1 -22.7 86.9 -3.1 6.0 494 581 A G T <<5S+ 0 0 57 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.1 0.771 83.5 105.0 80.8 29.7 89.6 -4.6 8.2 495 582 A L > < + 0 0 8 -5,-2.0 3,-1.2 1,-0.1 6,-0.2 0.198 32.6 114.1-125.1 13.5 87.4 -7.5 9.4 496 583 A S T 3 S+ 0 0 52 -6,-0.5 -5,-0.1 1,-0.3 -1,-0.1 0.743 90.4 30.4 -64.6 -26.9 88.7 -10.5 7.5 497 584 A R T 3 S+ 0 0 243 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.300 100.3 108.2-109.7 6.1 90.0 -12.3 10.6 498 585 A S <> - 0 0 29 -3,-1.2 4,-1.6 1,-0.1 5,-0.1 -0.644 63.8-146.1 -93.5 138.6 87.4 -11.0 13.0 499 586 A P H > S+ 0 0 103 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.752 105.7 60.7 -66.9 -22.8 84.5 -12.9 14.5 500 587 A I H > S+ 0 0 21 2,-0.2 4,-0.7 1,-0.2 3,-0.4 0.932 104.9 46.7 -64.8 -47.2 82.6 -9.6 14.3 501 588 A G H >> S+ 0 0 1 -6,-0.2 4,-2.2 1,-0.2 3,-0.5 0.833 108.8 55.1 -64.1 -35.6 83.0 -9.6 10.5 502 589 A K H 3< S+ 0 0 152 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.798 106.0 51.7 -66.4 -31.8 82.0 -13.2 10.3 503 590 A A H 3< S+ 0 0 57 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.635 117.5 39.4 -77.7 -15.2 78.7 -12.4 12.2 504 591 A M H << S+ 0 0 3 -4,-0.7 -21,-1.8 -3,-0.5 2,-0.3 0.779 113.9 41.0-103.1 -36.5 77.9 -9.6 9.7 505 592 A F E < -n 483 0C 8 -4,-2.2 2,-0.4 -23,-0.2 -1,-0.1 -0.797 54.5-149.1-124.9 155.5 79.0 -10.8 6.3 506 593 A E E -n 484 0C 97 -23,-2.2 -21,-2.6 -2,-0.3 2,-2.0 -0.995 26.2-129.2-122.4 124.1 78.9 -13.9 4.0 507 594 A I E +n 485 0C 82 -2,-0.4 2,-0.9 -23,-0.2 -21,-0.2 -0.535 40.9 161.9 -72.7 83.0 81.8 -14.4 1.5 508 595 A R 0 0 104 -2,-2.0 -1,-0.1 -23,-1.0 -22,-0.0 -0.665 360.0 360.0 -99.0 68.8 79.6 -14.9 -1.5 509 596 A D 0 0 108 -2,-0.9 -1,-0.1 -23,-0.0 -23,-0.1 0.789 360.0 360.0 -97.5 360.0 82.5 -14.2 -3.9