==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA 06-JUL-11 3SQW . COMPND 2 MOLECULE: ATP-DEPENDENT RNA HELICASE MSS116, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE S288C; . AUTHOR M.DEL CAMPO,A.M.LAMBOWITZ . 508 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 72.6 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 . 28 5.5 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 . 182 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 3 1 1 0 1 3 0 1 1 4 1 1 0 0 0 0 1 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 89 0, 0.0 2,-0.2 0, 0.0 236,-0.2 0.000 360.0 360.0 360.0 142.3 95.2 35.6 25.6 2 89 A K E -a 237 0A 68 234,-1.1 236,-2.0 1,-0.1 2,-0.4 -0.472 360.0-137.9 -78.6 134.2 93.1 35.9 28.8 3 90 A L E -a 238 0A 41 -2,-0.2 2,-0.6 234,-0.2 236,-0.2 -0.781 13.0-159.4 -88.4 129.0 89.4 34.7 28.9 4 91 A I E -a 239 0A 69 234,-3.1 236,-2.4 -2,-0.4 2,-0.2 -0.915 10.6-151.0-113.6 104.9 87.0 37.0 30.7 5 92 A H E -a 240 0A 84 -2,-0.6 236,-0.2 234,-0.2 234,-0.0 -0.475 17.8-177.0 -72.4 140.2 83.8 35.3 31.9 6 93 A V E -a 241 0A 56 234,-2.1 236,-1.9 -2,-0.2 3,-0.1 -0.791 24.7-160.2-130.1 90.4 80.5 37.1 32.2 7 94 A P - 0 0 89 0, 0.0 238,-0.1 0, 0.0 2,-0.1 -0.149 35.3 -68.4 -72.6 166.1 78.2 34.4 33.6 8 95 A K - 0 0 97 236,-0.4 2,-0.4 1,-0.1 235,-0.1 -0.323 53.8-150.0 -55.1 123.5 74.4 34.3 33.5 9 96 A E - 0 0 127 1,-0.1 3,-0.4 -3,-0.1 -1,-0.1 -0.840 8.3-155.7-106.4 137.6 73.1 37.1 35.8 10 97 A D S S+ 0 0 109 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.926 86.0 31.8 -79.2 -51.8 69.7 36.7 37.6 11 98 A N S S+ 0 0 92 2,-0.0 2,-0.4 3,-0.0 -1,-0.2 -0.573 81.4 158.9-111.3 67.3 68.6 40.3 38.3 12 99 A S - 0 0 82 -2,-0.6 2,-0.2 -3,-0.4 3,-0.1 -0.733 49.6-104.8 -96.7 137.1 70.0 42.2 35.4 13 100 A K - 0 0 87 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.416 47.9-110.5 -59.1 120.5 68.7 45.7 34.2 14 101 A E - 0 0 127 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.287 27.3-145.7 -61.4 132.4 66.7 44.9 31.0 15 102 A V + 0 0 36 27,-0.1 27,-0.4 -3,-0.1 2,-0.3 -0.828 22.6 178.7 -98.7 138.0 68.3 46.2 27.8 16 103 A T > - 0 0 43 -2,-0.4 4,-1.9 25,-0.1 5,-0.2 -0.846 45.3-106.8-132.4 166.8 66.0 47.3 25.0 17 104 A L H > S+ 0 0 26 -2,-0.3 4,-1.9 2,-0.2 9,-0.2 0.901 123.3 50.4 -58.4 -41.1 66.2 48.8 21.6 18 105 A D H > S+ 0 0 89 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 108.3 50.7 -64.8 -44.4 65.2 52.2 23.1 19 106 A S H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 111.4 47.9 -62.9 -37.6 67.8 52.0 25.9 20 107 A L H <>S+ 0 0 3 -4,-1.9 5,-1.9 2,-0.2 6,-1.6 0.842 111.6 51.2 -72.5 -33.1 70.6 51.3 23.4 21 108 A L H ><5S+ 0 0 62 -4,-1.9 3,-1.3 4,-0.2 -2,-0.2 0.947 111.3 47.1 -63.1 -49.3 69.3 54.2 21.2 22 109 A E H 3<5S+ 0 0 160 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.863 110.2 53.1 -60.7 -38.3 69.3 56.6 24.2 23 110 A E T 3<5S- 0 0 102 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.497 114.5-116.2 -78.0 -5.9 72.8 55.5 25.2 24 111 A G T < 5S+ 0 0 64 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.604 86.4 114.2 77.9 12.4 74.2 56.1 21.7 25 112 A V S - 0 0 58 -2,-0.4 4,-2.0 1,-0.1 3,-0.3 -0.416 29.4-110.4 -74.4 158.1 71.7 54.6 15.5 28 115 A K H > S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.852 112.9 61.6 -57.6 -38.6 68.1 55.5 14.6 29 116 A E H > S+ 0 0 67 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.880 110.4 36.7 -66.3 -38.9 68.2 53.7 11.3 30 117 A I H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 5,-0.3 0.888 114.6 57.1 -77.8 -38.0 69.0 50.2 12.7 31 118 A H H X S+ 0 0 27 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.911 108.1 48.9 -50.7 -48.5 66.7 50.9 15.7 32 119 A K H X S+ 0 0 70 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.912 108.9 51.8 -58.2 -48.7 63.9 51.5 13.2 33 120 A A H < S+ 0 0 0 -4,-1.4 4,-0.4 1,-0.2 -2,-0.2 0.915 116.2 39.1 -59.7 -46.2 64.5 48.3 11.2 34 121 A I H ><>S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.2 5,-0.5 0.886 111.7 57.4 -75.4 -37.0 64.4 46.1 14.3 35 122 A T H ><5S+ 0 0 64 -4,-2.6 3,-2.2 -5,-0.3 -2,-0.2 0.924 101.0 57.8 -57.6 -43.5 61.5 48.0 16.0 36 123 A R T 3<5S+ 0 0 132 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.606 91.0 69.8 -67.7 -12.8 59.3 47.3 12.9 37 124 A M T < 5S- 0 0 41 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.602 99.2-141.3 -75.5 -13.0 59.8 43.6 13.3 38 125 A E T < 5 + 0 0 173 -3,-2.2 -2,-0.1 -4,-0.3 -3,-0.1 0.818 33.8 170.2 59.3 38.8 57.6 44.0 16.4 39 126 A F < - 0 0 102 -5,-0.5 -1,-0.2 1,-0.1 3,-0.1 -0.525 45.2-117.7 -71.9 148.2 59.4 41.5 18.7 40 127 A P S S- 0 0 143 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.852 80.9 -47.7 -55.5 -38.0 58.2 41.8 22.3 41 128 A G S S- 0 0 35 -25,-0.0 2,-0.3 -24,-0.0 -25,-0.1 -0.929 80.3 -55.3-173.6-173.4 61.7 42.8 23.3 42 129 A L - 0 0 12 -27,-0.4 -27,-0.1 -2,-0.3 28,-0.0 -0.647 56.0-116.8 -81.2 140.4 65.3 41.7 22.8 43 130 A T > - 0 0 39 -2,-0.3 4,-2.6 27,-0.1 3,-0.2 -0.290 34.0-100.6 -68.1 160.9 66.1 38.1 23.6 44 131 A P H > S+ 0 0 85 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.883 123.2 49.9 -53.5 -44.0 68.7 37.5 26.5 45 132 A V H > S+ 0 0 2 24,-0.4 4,-2.2 1,-0.2 5,-0.2 0.882 111.8 49.1 -66.3 -36.0 71.6 36.9 24.1 46 133 A Q H > S+ 0 0 8 23,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.912 111.2 50.1 -63.1 -42.8 70.8 40.0 22.2 47 134 A Q H < S+ 0 0 48 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.915 116.5 42.3 -62.4 -38.6 70.6 41.9 25.5 48 135 A K H < S+ 0 0 41 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.833 120.5 35.4 -77.9 -33.8 74.0 40.6 26.5 49 136 A T H X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.2 5,-0.3 0.721 92.8 78.3-100.9 -24.7 76.0 40.8 23.3 50 137 A I H X S+ 0 0 1 -4,-1.6 4,-1.5 -5,-0.2 5,-0.1 0.937 101.4 36.7 -60.8 -53.6 75.0 44.0 21.4 51 138 A K H > S+ 0 0 104 -4,-0.4 4,-0.8 1,-0.2 3,-0.2 0.942 117.2 49.8 -66.4 -49.8 76.9 46.6 23.4 52 139 A P H >4 S+ 0 0 31 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.861 108.4 53.7 -60.9 -33.4 80.1 44.6 24.1 53 140 A I H 3< S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.906 114.3 41.7 -62.5 -41.5 80.5 43.6 20.4 54 141 A L H 3< S+ 0 0 30 -4,-1.5 -1,-0.2 -5,-0.3 -3,-0.1 0.485 91.0 125.7 -81.7 -5.0 80.4 47.3 19.4 55 142 A S << - 0 0 24 -4,-0.8 4,-0.2 -3,-0.5 -30,-0.0 -0.187 69.4-126.9 -60.5 147.2 82.6 48.3 22.4 56 143 A S S S+ 0 0 128 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.428 75.9 114.6 -74.0 -0.1 85.7 50.2 21.6 57 144 A E S S- 0 0 104 -5,-0.2 2,-1.7 1,-0.1 0, 0.0 -0.387 79.0-115.5 -73.1 153.6 87.7 47.6 23.6 58 145 A D S S+ 0 0 78 -2,-0.1 179,-0.9 155,-0.0 178,-0.4 -0.524 70.3 126.6 -89.7 67.6 90.3 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 -0.943 53.9-138.3-132.9 150.6 88.4 42.1 22.4 60 147 A D E -b 238 0A 0 177,-2.2 179,-2.6 -2,-0.3 2,-0.4 -0.533 29.1-136.7 -89.4 166.4 87.1 39.0 20.7 61 148 A V E -bc 239 215A 1 153,-2.4 155,-2.5 177,-0.2 2,-0.4 -0.997 17.7-171.3-135.3 132.1 83.7 37.6 21.8 62 149 A I E -bc 240 216A 0 177,-3.1 179,-3.2 -2,-0.4 2,-0.4 -0.989 16.0-172.0-115.2 129.3 82.4 34.1 22.5 63 150 A A E -bc 241 217A 0 153,-3.1 155,-1.5 -2,-0.4 2,-0.4 -0.989 8.9-170.8-128.4 129.1 78.6 33.9 23.0 64 151 A R E +bc 242 218A 15 177,-1.8 179,-1.9 -2,-0.4 2,-0.3 -0.978 19.3 149.9-116.8 132.9 76.6 30.9 24.2 65 152 A A - 0 0 0 153,-1.1 3,-0.1 -2,-0.4 4,-0.1 -0.967 45.9 -91.3-160.2 145.1 72.8 30.8 24.1 66 153 A K > - 0 0 15 -2,-0.3 3,-1.3 1,-0.1 5,-0.2 0.001 55.3 -77.4 -60.7 158.0 70.2 28.1 23.7 67 154 A T T 3 S+ 0 0 3 183,-0.4 -1,-0.1 1,-0.2 316,-0.1 -0.217 113.5 17.2 -53.9 141.1 68.7 27.1 20.3 68 155 A G T 3 S+ 0 0 10 314,-0.1 315,-2.3 -3,-0.1 -1,-0.2 0.591 88.9 114.7 71.8 17.4 66.0 29.4 18.9 69 156 A T S < S- 0 0 29 -3,-1.3 -24,-0.4 313,-0.1 -23,-0.4 0.139 90.6 -89.6-111.7 20.4 66.8 32.4 21.1 70 157 A G > + 0 0 25 -25,-0.1 4,-1.6 -26,-0.1 3,-0.2 0.703 66.9 149.6 94.6 24.1 68.0 35.0 18.5 71 158 A K H > S+ 0 0 21 -5,-0.2 4,-1.2 1,-0.2 5,-0.2 0.835 70.7 63.5 -55.9 -33.2 71.7 34.5 18.1 72 159 A T H >> S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 3,-1.1 0.962 107.8 38.2 -60.4 -55.6 71.5 35.7 14.4 73 160 A F H 3> S+ 0 0 15 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.788 103.8 73.4 -67.6 -23.5 70.3 39.2 15.2 74 161 A A H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.842 113.7 25.1 -56.2 -33.6 72.7 39.2 18.2 75 162 A F H S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.838 112.1 59.2 -67.9 -27.9 75.9 45.3 15.9 79 166 A I H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.964 107.3 46.1 -59.8 -49.7 77.4 44.5 12.5 80 167 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.888 111.5 53.0 -57.4 -40.4 75.0 47.0 10.8 81 168 A Q H X S+ 0 0 4 -4,-2.1 4,-3.4 2,-0.2 -1,-0.2 0.888 106.4 51.8 -63.6 -39.6 75.8 49.5 13.5 82 169 A H H X S+ 0 0 29 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.909 109.4 50.7 -61.6 -39.8 79.5 49.1 12.8 83 170 A L H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.896 112.4 46.2 -65.1 -40.1 78.8 49.8 9.2 84 171 A I H >< S+ 0 0 16 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.945 110.3 53.2 -66.3 -47.6 76.8 52.9 10.1 85 172 A N H 3< S+ 0 0 99 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.807 121.0 32.7 -55.1 -33.2 79.6 54.1 12.5 86 173 A T T >< S+ 0 0 26 -4,-1.7 3,-2.2 -5,-0.2 -1,-0.3 0.032 78.5 131.8-112.9 25.7 82.2 53.7 9.7 87 174 A K T < S+ 0 0 83 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.703 72.1 50.6 -58.3 -24.9 79.9 54.6 6.7 88 175 A F T 3 S+ 0 0 162 -3,-0.2 2,-0.4 -4,-0.2 -1,-0.3 0.572 98.0 81.4 -87.6 -9.4 82.4 57.1 5.1 89 176 A D S < S- 0 0 97 -3,-2.2 4,-0.2 1,-0.2 -3,-0.1 -0.855 113.1 -23.2-103.3 130.0 85.4 54.7 5.3 90 177 A S S > S+ 0 0 47 -2,-0.4 3,-2.1 1,-0.1 -1,-0.2 0.838 75.6 173.5 44.8 47.0 86.1 52.0 2.6 91 178 A Q T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -3,-0.2 4,-0.1 0.630 70.9 51.0 -68.8 -13.0 82.4 52.0 1.7 92 179 A Y T 3 S+ 0 0 147 2,-0.1 -1,-0.3 58,-0.1 2,-0.3 0.228 98.2 93.4-100.8 12.7 82.7 49.7 -1.2 93 180 A M S < S- 0 0 40 -3,-2.1 2,-0.4 -4,-0.2 78,-0.1 -0.746 83.8-102.0-114.5 154.0 84.6 47.1 0.8 94 181 A V + 0 0 0 76,-2.1 79,-0.4 -2,-0.3 56,-0.2 -0.581 39.3 169.0 -73.9 122.1 83.7 44.0 2.8 95 182 A K + 0 0 7 55,-2.5 80,-2.5 -2,-0.4 81,-2.0 0.657 63.8 38.6-107.9 -22.0 83.7 44.8 6.5 96 183 A A E -de 151 176A 2 54,-2.0 56,-2.7 79,-0.2 2,-0.5 -0.998 59.9-169.0-134.2 128.7 82.0 41.8 8.0 97 184 A V E -de 152 177A 0 79,-2.2 81,-2.7 -2,-0.4 2,-0.5 -0.983 7.8-167.4-119.1 120.6 82.5 38.1 7.0 98 185 A I E -de 153 178A 0 54,-2.9 56,-2.6 -2,-0.5 2,-0.4 -0.926 4.6-162.8-111.9 126.3 80.1 35.6 8.5 99 186 A V E +de 154 179A 2 79,-3.3 81,-2.3 -2,-0.5 56,-0.2 -0.922 8.8 179.7-113.8 136.6 80.9 31.8 8.1 100 187 A A - 0 0 0 54,-2.3 81,-0.1 -2,-0.4 6,-0.1 -0.912 33.3-125.2-132.0 157.7 78.4 28.9 8.6 101 188 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 54,-0.1 0.641 91.7 45.0 -80.4 -15.0 78.9 25.1 8.3 102 189 A T S > S- 0 0 23 1,-0.1 4,-2.2 52,-0.1 5,-0.2 -0.950 74.7-131.0-127.4 151.3 76.0 24.6 5.7 103 190 A R H > S+ 0 0 80 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.903 108.9 53.6 -60.3 -40.7 75.1 26.3 2.6 104 191 A D H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.859 108.4 49.6 -69.8 -32.6 71.4 26.6 3.7 105 192 A L H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 110.1 50.0 -69.5 -45.0 72.3 28.2 6.9 106 193 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.936 112.7 48.7 -53.7 -46.1 74.5 30.8 5.2 107 194 A L H X S+ 0 0 34 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.862 109.2 52.5 -66.9 -32.8 71.6 31.4 2.8 108 195 A Q H X S+ 0 0 9 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.923 107.8 50.3 -65.8 -43.4 69.2 31.8 5.8 109 196 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.923 109.9 51.9 -62.7 -42.6 71.5 34.4 7.5 110 197 A E H X S+ 0 0 15 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.899 107.5 51.8 -56.2 -42.5 71.6 36.3 4.2 111 198 A A H X S+ 0 0 44 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.861 107.4 53.4 -66.1 -31.0 67.7 36.2 4.2 112 199 A E H X S+ 0 0 18 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.922 107.2 50.5 -70.0 -41.3 67.8 37.6 7.7 113 200 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.3 0.911 108.4 53.4 -56.3 -43.4 70.0 40.5 6.5 114 201 A K H X S+ 0 0 103 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.848 102.2 57.9 -63.0 -33.3 67.4 41.0 3.7 115 202 A K H X S+ 0 0 95 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.861 105.9 50.1 -62.9 -35.7 64.6 41.3 6.3 116 203 A I H X S+ 0 0 0 -4,-1.4 4,-1.1 -3,-0.3 3,-0.3 0.927 109.7 50.8 -64.3 -45.6 66.6 44.2 7.9 117 204 A H H < S+ 0 0 15 -4,-2.1 3,-0.4 1,-0.2 6,-0.3 0.889 109.1 51.7 -55.9 -41.2 66.8 45.8 4.5 118 205 A D H < S+ 0 0 88 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.778 106.6 52.5 -70.1 -29.9 63.1 45.4 4.0 119 206 A M H < S+ 0 0 61 -4,-1.3 -1,-0.2 -3,-0.3 2,-0.2 0.648 127.0 19.3 -80.9 -19.1 62.2 47.0 7.3 120 207 A N >< - 0 0 11 -4,-1.1 3,-2.6 -3,-0.4 4,-0.3 -0.703 62.4-165.4-152.7 101.2 64.4 50.1 6.5 121 208 A Y G > S+ 0 0 175 1,-0.3 3,-1.6 -3,-0.3 4,-0.2 0.729 86.5 74.2 -60.4 -23.9 65.3 50.8 2.9 122 209 A G G 3 S+ 0 0 40 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.606 90.9 59.7 -61.4 -13.3 67.9 53.3 4.1 123 210 A L G X S+ 0 0 1 -3,-2.6 3,-2.2 -6,-0.3 -1,-0.2 0.583 76.6 89.2 -92.9 -9.1 70.0 50.2 5.1 124 211 A K T < S+ 0 0 100 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.1 0.708 73.0 72.6 -61.7 -20.0 70.2 48.8 1.6 125 212 A K T 3 S+ 0 0 143 -3,-0.4 2,-1.0 -4,-0.2 -1,-0.3 0.650 85.9 69.0 -66.3 -19.9 73.4 50.8 1.0 126 213 A Y S < S- 0 0 15 -3,-2.2 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-1,-0.2 0.887 89.7 59.3 -51.2 -46.0 81.5 -2.9 18.7 462 549 A R H 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.708 118.3 31.5 -64.8 -16.6 80.8 -6.7 18.9 463 550 A R H <> S+ 0 0 153 -3,-1.5 4,-1.9 3,-0.1 -2,-0.2 0.832 117.5 49.4-102.3 -46.1 77.1 -5.9 19.5 464 551 A I H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.926 110.6 49.3 -62.6 -44.0 76.4 -2.6 17.7 465 552 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.912 112.4 45.0 -69.8 -42.3 77.9 -3.7 14.3 466 553 A P H > S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.894 114.1 51.7 -63.7 -36.7 76.1 -7.1 14.0 467 554 A E H X S+ 0 0 21 -4,-1.9 4,-0.5 2,-0.2 -201,-0.2 0.939 111.7 45.7 -63.2 -47.1 72.9 -5.5 15.1 468 555 A I H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 4,-0.3 0.961 113.9 49.6 -58.9 -48.9 73.2 -2.7 12.4 469 556 A A H >< S+ 0 0 3 -4,-2.6 3,-2.3 1,-0.3 4,-0.4 0.845 98.9 66.1 -57.7 -38.0 74.1 -5.3 9.8 470 557 A S H 3X S+ 0 0 34 -4,-2.1 4,-2.0 1,-0.3 -1,-0.3 0.651 79.2 83.2 -63.6 -17.0 71.2 -7.5 10.7 471 558 A T H S+ 0 0 15 -3,-2.3 4,-1.6 -4,-0.3 -1,-0.2 0.961 105.6 42.6 -61.4 -51.9 69.6 -6.3 5.9 473 560 A G H 4>S+ 0 0 1 -4,-0.4 5,-2.7 8,-0.4 -1,-0.2 0.863 113.9 52.7 -60.5 -39.3 68.0 -9.6 6.8 474 561 A V H ><5S+ 0 0 19 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.951 109.3 48.1 -63.1 -50.3 65.1 -7.8 8.6 475 562 A L H 3<5S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 113.7 47.4 -62.4 -29.1 64.4 -5.6 5.6 476 563 A L T 3<5S- 0 0 60 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.320 113.5-122.0 -92.5 6.7 64.4 -8.7 3.3 477 564 A N T < 5S+ 0 0 128 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.745 85.9 101.5 61.3 27.1 62.2 -10.5 5.9 478 565 A D > < - 0 0 67 -5,-2.7 3,-1.6 -6,-0.2 -2,-0.1 -0.794 50.0-172.6-139.0 93.5 64.7 -13.3 6.4 479 566 A P T 3 S+ 0 0 99 0, 0.0 -5,-0.1 0, 0.0 -6,-0.1 0.442 81.2 64.5 -72.6 1.4 66.7 -12.8 9.6 480 567 A Q T 3 S+ 0 0 157 -7,-0.2 2,-0.2 2,-0.1 -6,-0.0 0.633 81.4 104.2 -86.0 -16.9 69.1 -15.7 8.8 481 568 A L < - 0 0 74 -3,-1.6 -8,-0.4 -8,-0.1 2,-0.2 -0.431 54.5-163.3 -76.1 131.2 70.5 -13.8 5.9 482 569 A K - 0 0 78 -2,-0.2 23,-0.2 -10,-0.1 22,-0.1 -0.692 37.8 -86.2-101.7 167.5 73.9 -12.1 6.1 483 570 A I E -n 505 0C 1 21,-1.9 23,-2.4 -2,-0.2 2,-0.3 -0.620 43.0-125.5 -80.0 120.0 75.1 -9.4 3.7 484 571 A P E +n 506 0C 47 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.500 46.7 154.5 -72.4 129.1 76.7 -10.9 0.7 485 572 A V E -n 507 0C 15 21,-3.0 23,-2.6 -2,-0.3 2,-0.2 -0.932 38.6-110.1-152.2 160.7 80.2 -9.5 0.2 486 573 A S > - 0 0 63 -2,-0.3 4,-2.2 21,-0.2 5,-0.2 -0.625 28.7-116.9 -97.8 161.8 83.7 -10.2 -1.3 487 574 A R H > S+ 0 0 133 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.924 115.2 53.5 -62.5 -48.1 87.0 -10.8 0.6 488 575 A R H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 108.8 51.5 -54.7 -40.4 88.7 -7.7 -0.8 489 576 A F H > S+ 0 0 72 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.954 110.9 46.2 -61.0 -51.2 85.7 -5.7 0.5 490 577 A L H X>S+ 0 0 5 -4,-2.2 4,-1.7 1,-0.2 5,-1.4 0.877 110.4 54.9 -59.3 -41.2 86.0 -7.2 4.0 491 578 A D H <5S+ 0 0 89 -4,-2.8 3,-0.2 2,-0.2 -1,-0.2 0.920 106.0 51.2 -56.1 -48.5 89.8 -6.6 3.9 492 579 A K H <5S+ 0 0 93 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.901 110.3 50.6 -57.1 -41.4 89.3 -2.9 3.2 493 580 A L H <5S- 0 0 35 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.792 109.0-123.8 -69.0 -33.1 86.9 -2.7 6.2 494 581 A G T <5S+ 0 0 56 -4,-1.7 3,-0.2 -3,-0.2 -3,-0.2 0.563 84.1 101.6 101.6 14.2 89.2 -4.3 8.7 495 582 A L > < + 0 0 4 -5,-1.4 3,-1.0 1,-0.1 6,-0.2 0.098 38.8 115.1-117.3 21.5 87.0 -7.2 9.8 496 583 A S T 3 S+ 0 0 27 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.705 87.0 28.8 -74.2 -24.7 88.4 -10.0 7.7 497 584 A R T 3 S+ 0 0 241 -3,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.150 101.7 107.8-116.6 15.9 89.7 -12.2 10.7 498 585 A S <> - 0 0 31 -3,-1.0 4,-1.9 1,-0.1 5,-0.1 -0.765 66.1-143.2-103.3 138.3 87.1 -11.0 13.2 499 586 A P H > S+ 0 0 108 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.797 107.2 61.0 -62.2 -29.8 84.1 -13.0 14.6 500 587 A I H > S+ 0 0 22 2,-0.2 4,-0.9 1,-0.2 3,-0.3 0.943 105.6 46.7 -57.8 -48.8 82.3 -9.6 14.4 501 588 A G H >> S+ 0 0 0 1,-0.2 4,-2.1 -6,-0.2 3,-0.6 0.894 109.5 52.7 -61.1 -44.9 82.8 -9.6 10.7 502 589 A K H 3< S+ 0 0 157 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.776 107.1 53.9 -61.6 -29.5 81.7 -13.3 10.3 503 590 A A H 3< S+ 0 0 54 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.750 116.1 38.5 -75.2 -22.8 78.5 -12.4 12.2 504 591 A M H << S+ 0 0 3 -4,-0.9 -21,-1.9 -3,-0.6 2,-0.3 0.807 115.0 37.3 -95.6 -36.3 77.7 -9.6 9.7 505 592 A F E < -n 483 0C 8 -4,-2.1 2,-0.5 -23,-0.2 -1,-0.1 -0.836 55.7-142.5-128.7 156.2 78.7 -10.7 6.3 506 593 A E E -n 484 0C 83 -23,-2.4 -21,-3.0 -2,-0.3 2,-1.1 -0.986 24.8-133.6-120.5 119.6 78.9 -13.7 3.9 507 594 A I E n 485 0C 104 -2,-0.5 -21,-0.2 1,-0.2 -20,-0.0 -0.621 360.0 360.0 -76.4 99.4 82.0 -14.0 1.7 508 595 A R 0 0 220 -23,-2.6 -22,-0.2 -2,-1.1 -1,-0.2 0.748 360.0 360.0-121.9 360.0 80.2 -14.8 -1.6