==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-MAR-10 3MDM . COMPND 2 MOLECULE: CHOLESTEROL 24-HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.MAST,C.CHARVET,I.PIKULEVA,C.D.STOUT . 435 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.6 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 2 1 0 3 0 0 1 1 2 2 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 0 2 1 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 . 3 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 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 57 A G 0 0 62 0, 0.0 413,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -2.0 -6.5 -4.1 -8.9 2 58 A R - 0 0 148 411,-0.2 2,-0.3 3,-0.0 411,-0.0 -0.713 360.0-162.7 -96.1 149.6 -6.9 -1.2 -11.4 3 59 A V >> - 0 0 15 -2,-0.3 3,-1.7 412,-0.1 4,-0.5 -0.805 38.2 -96.6-128.8 171.1 -10.2 -0.6 -13.2 4 60 A L H >> S+ 0 0 53 1,-0.3 4,-1.5 -2,-0.3 3,-1.5 0.826 119.5 65.8 -54.0 -34.0 -11.4 1.4 -16.2 5 61 A Q H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.745 91.6 61.7 -65.6 -24.0 -12.3 4.2 -13.9 6 62 A D H <> S+ 0 0 13 -3,-1.7 4,-2.1 2,-0.2 -1,-0.3 0.778 100.4 53.6 -68.0 -27.1 -8.7 4.8 -13.1 7 63 A V H S-A 26 0A 0 3,-2.9 3,-1.9 -2,-0.6 148,-0.1 -0.992 72.2 -7.7-131.2 129.3 -16.8 4.7 -22.2 24 80 A F T 3 S- 0 0 12 -2,-0.4 -1,-0.1 1,-0.3 147,-0.1 0.864 127.7 -65.0 56.3 32.2 -18.8 1.6 -23.2 25 81 A H T 3 S+ 0 0 126 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.634 116.7 111.2 64.1 18.5 -17.1 2.3 -26.7 26 82 A K E < S-A 23 0A 85 -3,-1.9 -3,-2.9 26,-0.0 2,-0.3 -0.896 76.4-104.5-117.4 155.4 -19.0 5.6 -27.0 27 83 A T E +A 22 0A 85 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.607 48.3 163.8 -77.8 129.9 -17.6 9.1 -26.8 28 84 A S E -A 21 0A 0 -7,-2.5 -7,-2.7 -2,-0.3 2,-0.5 -0.918 33.2-132.4-140.0 163.7 -18.3 10.9 -23.5 29 85 A V E -Ab 20 335A 8 305,-2.2 307,-2.6 -2,-0.3 2,-0.5 -0.989 18.1-143.9-120.0 123.3 -16.9 14.0 -21.8 30 86 A I E -Ab 19 336A 0 -11,-3.1 -11,-2.0 -2,-0.5 2,-0.6 -0.789 13.4-158.4 -88.6 130.0 -16.0 13.6 -18.2 31 87 A V E +A 18 0A 0 305,-2.6 307,-0.4 -2,-0.5 -13,-0.2 -0.949 21.2 164.8-112.6 115.1 -16.8 16.8 -16.2 32 88 A T + 0 0 0 -15,-2.4 -14,-0.1 -2,-0.6 -1,-0.1 0.228 35.2 109.5-119.2 14.2 -14.9 17.2 -13.0 33 89 A S > - 0 0 6 -16,-0.5 4,-2.6 1,-0.1 3,-0.4 -0.750 66.5-134.1 -90.6 137.3 -15.2 20.8 -11.9 34 90 A P H > S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.870 105.3 55.2 -53.3 -39.8 -17.4 21.3 -8.8 35 91 A E H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.883 109.8 46.3 -65.1 -35.1 -19.3 24.2 -10.4 36 92 A S H > S+ 0 0 9 -3,-0.4 4,-2.4 2,-0.2 5,-0.4 0.878 108.8 54.6 -74.5 -37.0 -20.1 22.0 -13.4 37 93 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.4 0.946 112.2 45.9 -58.1 -45.3 -21.2 19.1 -11.2 38 94 A K H X S+ 0 0 84 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.948 110.8 52.2 -63.1 -48.2 -23.6 21.6 -9.5 39 95 A K H < S+ 0 0 95 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.934 120.0 31.8 -55.5 -45.4 -24.9 23.1 -12.7 40 96 A F H >< S+ 0 0 1 -4,-2.4 3,-0.6 1,-0.1 6,-0.3 0.901 121.5 42.8 -88.3 -34.6 -25.8 19.8 -14.3 41 97 A L H 3< S+ 0 0 0 -4,-2.5 337,-0.5 -5,-0.4 338,-0.3 0.845 111.0 55.4 -80.7 -24.3 -26.8 17.5 -11.4 42 98 A M T 3< S+ 0 0 101 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.2 0.324 96.0 73.7 -95.2 12.5 -28.9 20.1 -9.5 43 99 A S X - 0 0 36 -3,-0.6 3,-1.6 -4,-0.2 -4,-0.0 -0.980 66.7-146.3-124.9 133.4 -31.3 21.1 -12.3 44 100 A T T 3 S+ 0 0 73 -2,-0.4 -1,-0.1 1,-0.3 31,-0.1 0.554 93.1 83.4 -70.5 -5.6 -34.2 19.1 -13.7 45 101 A K T 3 S+ 0 0 160 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.803 87.0 60.8 -64.8 -22.5 -33.2 20.7 -17.1 46 102 A Y S < S+ 0 0 58 -3,-1.6 2,-0.2 -6,-0.3 -3,-0.1 -0.908 71.7 179.6-114.6 128.5 -30.6 18.0 -17.5 47 103 A N - 0 0 33 -2,-0.5 270,-2.8 270,-0.4 27,-0.1 -0.713 34.7 -71.6-125.6 171.6 -31.6 14.4 -17.7 48 104 A K - 0 0 23 25,-0.4 2,-0.8 268,-0.3 268,-0.3 -0.295 45.2-117.1 -65.3 150.7 -30.0 11.0 -18.1 49 105 A D >> - 0 0 5 266,-0.4 4,-1.5 286,-0.2 3,-1.4 -0.752 16.9-156.6 -90.7 112.0 -28.5 10.0 -21.4 50 106 A S H 3> S+ 0 0 49 -2,-0.8 4,-0.8 1,-0.3 -1,-0.2 0.794 88.8 65.3 -57.9 -30.3 -30.4 7.0 -22.7 51 107 A K H 34 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.852 106.0 43.5 -61.2 -33.0 -27.5 5.9 -24.9 52 108 A M H X4 S+ 0 0 4 -3,-1.4 3,-0.9 1,-0.2 -1,-0.2 0.825 110.8 53.5 -85.6 -27.3 -25.4 5.2 -21.8 53 109 A Y H >X S+ 0 0 21 -4,-1.5 4,-2.0 1,-0.2 3,-1.5 0.503 82.3 87.4 -88.0 1.6 -28.1 3.5 -19.8 54 110 A R H 3X S+ 0 0 102 -4,-0.8 4,-2.1 1,-0.3 -1,-0.2 0.776 77.0 70.0 -64.3 -26.5 -28.9 1.0 -22.5 55 111 A A H <4 S+ 0 0 18 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.626 109.8 32.7 -62.3 -22.2 -26.1 -1.1 -20.9 56 112 A L H <4 S+ 0 0 28 -3,-1.5 9,-2.2 -4,-0.1 10,-0.4 0.701 110.8 64.0-102.2 -34.6 -28.5 -1.7 -18.0 57 113 A Q H < S+ 0 0 45 -4,-2.0 7,-2.5 8,-0.2 9,-1.9 0.921 122.7 3.8 -54.3 -48.2 -31.8 -1.7 -20.0 58 114 A T E < -D 63 0B 47 -4,-2.1 2,-0.4 5,-0.3 5,-0.2 -0.990 67.1-159.2-141.3 143.6 -30.8 -4.8 -21.9 59 115 A V E > S-D 62 0B 0 3,-2.4 3,-2.3 -2,-0.3 107,-0.1 -0.990 78.5 -16.1-130.0 124.8 -27.7 -7.1 -21.6 60 116 A F T 3 S- 0 0 23 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.833 131.8 -51.7 48.1 36.6 -26.6 -9.4 -24.5 61 117 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 127,-0.0 -1,-0.3 0.371 114.7 114.1 86.0 -3.4 -30.0 -8.8 -26.0 62 118 A E E < S-D 59 0B 48 -3,-2.3 -3,-2.4 1,-0.0 -1,-0.2 -0.882 71.5-114.4-109.1 129.0 -32.1 -9.7 -22.9 63 119 A R E +D 58 0B 97 -2,-0.5 -5,-0.3 -5,-0.2 -6,-0.1 -0.380 48.7 153.8 -60.4 126.5 -34.3 -7.1 -21.0 64 120 A L S S+ 0 0 0 -7,-2.5 -7,-0.2 -8,-0.3 177,-0.2 0.613 74.7 4.2-119.0 -84.0 -32.8 -6.6 -17.5 65 121 A F S > S+ 0 0 11 -9,-2.2 3,-2.3 1,-0.2 6,-0.3 0.602 86.1 173.6 -82.9 -15.6 -33.5 -3.2 -15.8 66 122 A G T 3 - 0 0 1 -9,-1.9 -1,-0.2 -10,-0.4 -10,-0.1 -0.145 66.4 -27.0 48.6-128.3 -35.7 -2.2 -18.8 67 123 A Q T 3 S+ 0 0 48 5,-0.1 -1,-0.3 -10,-0.1 5,-0.1 -0.185 98.3 137.7-110.8 33.6 -37.4 1.2 -18.0 68 124 A G S <> S- 0 0 1 -3,-2.3 4,-2.2 170,-0.2 3,-0.1 -0.023 74.1 -73.3 -66.3-174.3 -37.4 0.8 -14.3 69 125 A L T 4 S+ 0 0 10 1,-0.2 13,-0.1 2,-0.2 -1,-0.1 0.783 129.0 41.6 -61.8 -31.8 -36.5 3.6 -11.9 70 126 A V T 4 S+ 0 0 46 1,-0.1 -1,-0.2 -5,-0.1 -3,-0.0 0.901 121.5 36.6 -80.5 -39.6 -32.8 3.7 -12.5 71 127 A S T 4 S+ 0 0 3 -6,-0.3 2,-0.5 -3,-0.1 -2,-0.2 0.526 85.4 104.4 -98.1 -6.3 -32.7 3.3 -16.3 72 128 A E < + 0 0 6 -4,-2.2 -24,-0.2 1,-0.2 -5,-0.1 -0.667 44.3 179.1 -72.8 125.5 -35.7 5.3 -17.3 73 129 A C + 0 0 13 -2,-0.5 -25,-0.4 -26,-0.1 2,-0.3 0.683 45.9 99.8-105.6 -19.9 -34.2 8.5 -18.7 74 130 A N > - 0 0 53 1,-0.1 4,-2.8 -27,-0.1 5,-0.3 -0.530 68.7-140.6 -70.9 126.0 -37.3 10.4 -19.8 75 131 A Y H > S+ 0 0 54 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.899 96.6 45.4 -55.3 -49.0 -38.1 13.0 -17.1 76 132 A E H > S+ 0 0 127 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 115.0 44.9 -62.6 -45.2 -41.9 12.6 -17.3 77 133 A R H > S+ 0 0 130 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.903 117.2 47.5 -67.3 -43.3 -42.0 8.8 -17.3 78 134 A W H X S+ 0 0 9 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.933 110.0 51.3 -61.9 -46.6 -39.4 8.8 -14.5 79 135 A H H X S+ 0 0 54 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.887 105.6 55.9 -62.0 -36.8 -41.2 11.4 -12.4 80 136 A K H X S+ 0 0 157 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.900 114.0 39.7 -61.9 -44.7 -44.5 9.5 -12.6 81 137 A Q H X S+ 0 0 24 -4,-1.5 4,-2.6 2,-0.2 3,-0.4 0.900 113.1 55.2 -68.9 -48.5 -42.8 6.3 -11.1 82 138 A R H X S+ 0 0 39 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.901 103.7 54.4 -55.3 -43.7 -40.7 8.2 -8.6 83 139 A R H < S+ 0 0 170 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.860 112.6 43.6 -60.2 -34.5 -43.7 10.0 -7.0 84 140 A V H >< S+ 0 0 34 -4,-0.9 3,-0.9 -3,-0.4 4,-0.3 0.932 116.0 44.0 -78.5 -44.5 -45.4 6.7 -6.4 85 141 A I H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 4,-0.3 0.821 96.8 74.4 -73.0 -26.3 -42.4 4.7 -5.1 86 142 A D G >< S+ 0 0 65 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.804 84.6 70.9 -54.2 -28.9 -41.1 7.6 -2.8 87 143 A L G X S+ 0 0 113 -3,-0.9 3,-1.2 -4,-0.4 -1,-0.3 0.873 91.1 56.8 -58.4 -34.1 -44.1 6.6 -0.6 88 144 A A G < S+ 0 0 13 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.580 105.5 53.7 -72.6 -7.7 -42.3 3.4 0.4 89 145 A F G < S+ 0 0 28 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.094 73.7 135.3-117.2 21.7 -39.3 5.4 1.6 90 146 A S S <> S- 0 0 47 -3,-1.2 4,-2.5 1,-0.1 3,-0.3 -0.282 71.4-105.0 -66.3 159.0 -40.9 7.8 4.1 91 147 A R H > S+ 0 0 161 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.892 122.9 51.2 -51.4 -44.7 -39.1 8.3 7.4 92 148 A S H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.884 107.5 50.8 -64.3 -39.9 -41.8 6.2 9.1 93 149 A S H 4 S+ 0 0 37 -3,-0.3 4,-0.5 1,-0.2 -2,-0.2 0.945 111.0 50.6 -61.5 -44.0 -41.5 3.3 6.6 94 150 A L H >< S+ 0 0 6 -4,-2.5 3,-1.7 1,-0.2 4,-0.4 0.896 106.8 51.9 -62.9 -42.1 -37.7 3.3 7.2 95 151 A V H >< S+ 0 0 57 -4,-2.2 3,-1.6 1,-0.3 4,-0.3 0.897 103.7 59.0 -62.5 -36.3 -38.0 3.2 10.9 96 152 A S T 3< S+ 0 0 83 -4,-1.7 3,-0.4 1,-0.3 4,-0.3 0.645 99.3 61.0 -64.1 -14.5 -40.3 0.3 10.6 97 153 A L T <> S+ 0 0 28 -3,-1.7 4,-2.7 -4,-0.5 -1,-0.3 0.490 76.7 87.9 -90.7 -9.0 -37.5 -1.6 8.8 98 154 A M H <> S+ 0 0 4 -3,-1.6 4,-2.9 -4,-0.4 5,-0.2 0.850 83.4 58.6 -59.5 -29.8 -35.1 -1.4 11.8 99 155 A E H > S+ 0 0 118 -3,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.944 108.8 44.8 -63.1 -43.3 -36.6 -4.7 13.0 100 156 A T H > S+ 0 0 22 -4,-0.3 4,-2.4 2,-0.2 5,-0.3 0.931 113.6 48.9 -66.5 -43.6 -35.6 -6.3 9.7 101 157 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.935 114.9 45.4 -64.7 -44.5 -32.1 -4.7 9.8 102 158 A N H X S+ 0 0 6 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.910 111.9 52.4 -63.0 -43.0 -31.5 -5.8 13.4 103 159 A E H X S+ 0 0 121 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.940 115.5 38.0 -59.5 -49.7 -32.8 -9.3 12.8 104 160 A K H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.851 115.1 53.1 -75.8 -34.4 -30.6 -10.1 9.8 105 161 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.920 111.3 47.6 -64.5 -42.5 -27.6 -8.3 11.2 106 162 A E H X S+ 0 0 20 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.922 111.1 51.7 -63.6 -38.9 -27.9 -10.4 14.5 107 163 A Q H X S+ 0 0 30 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.932 109.1 50.7 -62.9 -44.7 -28.3 -13.6 12.4 108 164 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.940 111.0 48.1 -57.3 -48.2 -25.1 -12.7 10.5 109 165 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.901 109.9 51.6 -63.4 -39.3 -23.2 -12.2 13.7 110 166 A E H X S+ 0 0 99 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.904 111.2 47.4 -65.6 -37.7 -24.4 -15.4 15.2 111 167 A I H X S+ 0 0 36 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.904 113.4 48.4 -66.2 -44.4 -23.3 -17.3 12.1 112 168 A L H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 4,-0.5 0.886 107.0 56.0 -64.1 -37.8 -19.9 -15.6 12.1 113 169 A E H >< S+ 0 0 62 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.866 103.2 55.6 -60.6 -33.3 -19.4 -16.3 15.8 114 170 A A H 3< S+ 0 0 91 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.743 113.1 41.6 -72.3 -19.1 -19.9 -20.0 15.0 115 171 A K T << S+ 0 0 97 -3,-0.9 2,-2.0 -4,-0.8 315,-0.3 0.418 83.1 112.7-105.2 2.2 -17.1 -19.7 12.5 116 172 A A < + 0 0 11 -3,-1.0 -1,-0.1 -4,-0.5 -3,-0.1 -0.412 27.1 130.1 -86.0 70.5 -14.8 -17.6 14.7 117 173 A D S S- 0 0 62 -2,-2.0 -1,-0.2 3,-0.2 314,-0.2 0.250 74.6-115.1-102.9 7.7 -12.0 -20.0 15.3 118 174 A G S S+ 0 0 23 312,-2.4 313,-0.1 2,-0.2 311,-0.1 0.516 102.2 50.1 71.7 5.8 -9.2 -17.7 14.4 119 175 A Q S S+ 0 0 152 311,-0.2 -1,-0.1 1,-0.1 -3,-0.1 0.559 75.7 92.6-145.2 -26.3 -8.1 -19.8 11.4 120 176 A T S S- 0 0 63 -5,-0.3 310,-0.3 310,-0.2 2,-0.2 -0.663 74.1-123.7 -81.4 124.6 -10.9 -20.8 9.0 121 177 A P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 308,-0.2 -0.479 25.5-168.3 -70.6 137.2 -11.3 -18.3 6.2 122 178 A V E -E 428 0C 9 306,-2.6 306,-2.4 -2,-0.2 2,-0.9 -0.994 23.4-127.8-124.4 129.7 -14.7 -16.6 5.7 123 179 A S E > -E 427 0C 19 -2,-0.4 4,-2.6 304,-0.2 304,-0.2 -0.669 21.0-171.1 -77.6 107.2 -15.5 -14.6 2.6 124 180 A M H > S+ 0 0 0 302,-2.2 4,-2.5 -2,-0.9 5,-0.3 0.836 84.3 59.4 -69.7 -29.6 -16.7 -11.4 4.0 125 181 A Q H > S+ 0 0 6 300,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.961 110.7 42.0 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80.1 135.1 85.7 6.9 -27.1 -21.4 2.6 151 207 A A < + 0 0 40 -5,-2.1 -1,-0.3 1,-0.2 -6,-0.1 -0.321 50.8 30.3 -82.7 169.6 -30.3 -21.3 0.6 152 208 A Q > + 0 0 89 1,-0.1 4,-2.2 3,-0.1 3,-0.2 0.750 60.1 155.2 56.4 37.4 -30.8 -19.9 -2.9 153 209 A K H > S+ 0 0 97 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.876 72.6 56.6 -60.7 -37.4 -27.4 -20.5 -4.2 154 210 A P H > S+ 0 0 87 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.901 108.4 48.1 -61.7 -36.7 -28.7 -20.6 -7.8 155 211 A L H > S+ 0 0 1 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.921 111.3 48.5 -68.0 -44.6 -30.2 -17.1 -7.3 156 212 A S H X S+ 0 0 24 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.908 113.7 48.7 -63.8 -36.9 -27.0 -15.7 -5.8 157 213 A Q H X S+ 0 0 92 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.905 107.7 53.3 -67.7 -40.2 -25.1 -17.2 -8.8 158 214 A A H X S+ 0 0 8 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.911 109.1 49.8 -60.1 -43.3 -27.5 -15.8 -11.3 159 215 A V H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.954 111.0 50.0 -61.6 -44.2 -27.0 -12.3 -9.8 160 216 A K H X S+ 0 0 86 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.924 111.6 48.0 -60.7 -44.1 -23.2 -12.7 -10.0 161 217 A L H X S+ 0 0 46 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.876 111.7 48.4 -67.4 -38.8 -23.3 -13.8 -13.6 162 218 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.891 110.1 50.9 -71.8 -32.6 -25.6 -11.0 -14.7 163 219 A L H X S+ 0 0 10 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.890 112.6 47.3 -67.7 -39.1 -23.5 -8.3 -13.0 164 220 A E H X S+ 0 0 75 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.909 111.2 53.7 -63.8 -41.1 -20.3 -9.7 -14.7 165 221 A G H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.844 100.4 58.8 -63.8 -36.1 -22.3 -9.7 -17.9 166 222 A I H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.951 112.8 39.7 -57.0 -48.8 -23.2 -6.0 -17.6 167 223 A T H X S+ 0 0 20 -4,-1.5 4,-1.4 2,-0.2 5,-0.4 0.895 117.7 48.3 -67.1 -41.3 -19.5 -5.2 -17.5 168 224 A A H X S+ 0 0 27 -4,-2.7 4,-2.3 1,-0.2 6,-0.4 0.892 110.1 52.2 -66.9 -39.8 -18.6 -7.7 -20.2 169 225 A S H < S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.854 114.0 41.1 -67.3 -32.5 -21.3 -6.7 -22.5 170 226 A R H < S+ 0 0 24 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.654 128.8 25.4 -93.3 -11.8 -20.5 -3.0 -22.5 171 227 A N H < S+ 0 0 43 -4,-1.4 -3,-0.2 -5,-0.1 -2,-0.2 0.666 108.6 63.8-122.1 -26.2 -16.7 -3.3 -22.6 172 228 A T S < S- 0 0 61 -4,-2.3 3,-0.4 -5,-0.4 -4,-0.0 -0.473 71.1-124.4-105.9 174.1 -15.7 -6.5 -24.3 173 229 A L >> + 0 0 111 1,-0.2 3,-2.7 -2,-0.1 4,-0.5 0.173 68.3 125.1 -93.7 19.3 -15.9 -8.3 -27.6 174 230 A A G >4 + 0 0 5 -6,-0.4 3,-1.3 1,-0.3 6,-0.3 0.816 62.5 66.6 -47.2 -38.3 -17.6 -11.4 -25.9 175 231 A K G 34 S+ 0 0 128 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.717 108.4 39.4 -59.4 -18.6 -20.5 -11.2 -28.3 176 232 A F G <4 S+ 0 0 143 -3,-2.7 -1,-0.3 4,-0.0 -2,-0.2 0.445 91.7 97.4-110.2 -3.5 -18.2 -12.1 -31.1 177 233 A L X< - 0 0 69 -3,-1.3 3,-1.9 -4,-0.5 4,-0.3 -0.783 58.2-155.0 -91.3 120.5 -15.9 -14.7 -29.5 178 234 A P G > S+ 0 0 88 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.843 97.4 62.6 -61.0 -29.3 -17.0 -18.3 -30.2 179 235 A G G 3 S+ 0 0 58 1,-0.2 4,-0.2 2,-0.1 3,-0.2 0.688 102.6 50.5 -69.1 -15.5 -15.2 -19.2 -27.0 180 236 A K G <> S+ 0 0 79 -3,-1.9 4,-2.6 -6,-0.3 -1,-0.2 0.334 75.2 101.2-105.1 7.2 -17.7 -17.0 -25.1 181 237 A R H <> S+ 0 0 166 -3,-1.2 4,-2.2 -4,-0.3 5,-0.2 0.896 84.9 49.5 -58.8 -38.8 -20.9 -18.4 -26.5 182 238 A K H > S+ 0 0 123 -4,-0.3 4,-2.8 -3,-0.2 -1,-0.2 0.929 109.9 51.4 -64.8 -46.4 -21.5 -20.4 -23.3 183 239 A Q H > S+ 0 0 88 -4,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.926 110.4 47.8 -58.5 -46.7 -20.8 -17.4 -21.1 184 240 A L H X S+ 0 0 17 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.889 111.4 50.9 -62.8 -39.3 -23.4 -15.2 -23.1 185 241 A R H X S+ 0 0 117 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.951 110.1 49.8 -63.7 -45.1 -26.0 -17.9 -22.9 186 242 A E H X S+ 0 0 68 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.832 109.7 51.2 -64.3 -35.5 -25.5 -18.3 -19.2 187 243 A V H X S+ 0 0 9 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.955 112.6 45.6 -63.8 -49.3 -25.9 -14.5 -18.7 188 244 A R H X S+ 0 0 68 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.905 112.7 51.2 -60.0 -39.3 -29.1 -14.4 -20.7 189 245 A E H X S+ 0 0 95 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.889 109.3 50.9 -63.2 -39.4 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0.914 111.4 46.6 -59.9 -41.5 -43.1 -13.2 -11.6 200 256 A D H X S+ 0 0 61 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.925 113.3 46.2 -66.3 -43.6 -43.3 -15.7 -8.7 201 257 A W H X S+ 0 0 18 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.858 112.8 50.9 -71.9 -30.4 -42.9 -13.2 -5.9 202 258 A V H X S+ 0 0 4 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.910 110.9 49.0 -69.7 -41.5 -45.5 -10.9 -7.6 203 259 A Q H X S+ 0 0 92 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.896 108.8 53.7 -64.4 -40.1 -48.0 -13.8 -7.9 204 260 A R H X S+ 0 0 129 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.917 110.9 46.4 -62.2 -38.4 -47.4 -14.7 -4.3 205 261 A R H X S+ 0 0 18 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.937 113.1 47.6 -69.3 -47.9 -48.2 -11.1 -3.3 206 262 A R H X S+ 0 0 94 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.856 113.8 48.4 -62.3 -36.2 -51.3 -10.9 -5.5 207 263 A E H X S+ 0 0 79 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.881 109.1 52.3 -72.1 -37.5 -52.6 -14.2 -4.2 208 264 A A H <>S+ 0 0 13 -4,-2.1 5,-2.5 -5,-0.3 -2,-0.2 0.938 113.1 45.3 -62.2 -46.4 -52.0 -13.2 -0.5 209 265 A L H ><5S+ 0 0 93 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.911 109.8 54.7 -63.2 -40.9 -54.0 -10.1 -1.1 210 266 A K H 3<5S+ 0 0 184 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.9 51.4 -63.0 -32.6 -56.8 -12.0 -3.0 211 267 A R T 3<5S- 0 0 147 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.454 117.8-114.3 -84.4 1.3 -57.1 -14.3 0.0 212 268 A G T < 5 + 0 0 63 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.721 60.0 158.8 73.3 23.4 -57.5 -11.3 2.3 213 269 A E < - 0 0 95 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.394 50.3-100.4 -74.5 156.4 -54.3 -12.1 4.1 214 270 A E + 0 0 179 -3,-0.1 -1,-0.1 -2,-0.1 -5,-0.0 -0.628 44.0 178.8 -80.2 137.0 -52.7 -9.2 5.9 215 271 A V - 0 0 27 -2,-0.3 3,-0.1 -6,-0.1 -1,-0.0 -0.876 21.6-139.3-140.8 105.2 -49.9 -7.6 4.0 216 272 A P - 0 0 103 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.274 36.3 -98.9 -60.9 152.0 -48.0 -4.5 5.3 217 273 A A + 0 0 84 3,-0.1 2,-0.2 4,-0.1 3,-0.0 -0.527 58.1 152.6 -75.2 139.0 -47.2 -1.9 2.7 218 274 A D > - 0 0 25 -2,-0.2 4,-1.5 -78,-0.1 -78,-0.2 -0.719 61.5 -67.8-146.2-166.5 -43.7 -2.1 1.4 219 275 A I H > S+ 0 0 7 -80,-0.5 4,-2.4 1,-0.2 5,-0.3 0.925 129.5 56.6 -60.9 -40.7 -41.6 -1.3 -1.8 220 276 A L H > S+ 0 0 1 -80,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.884 101.2 58.2 -57.7 -38.6 -43.4 -4.0 -3.7 221 277 A T H > S+ 0 0 43 -81,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 110.4 43.3 -57.4 -42.9 -46.8 -2.4 -2.9 222 278 A Q H X S+ 0 0 29 -4,-1.5 4,-2.9 -3,-0.2 -2,-0.2 0.851 110.2 52.1 -76.2 -32.5 -45.6 0.8 -4.5 223 279 A I H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.876 112.7 48.3 -70.8 -25.6 -44.0 -0.8 -7.6 224 280 A L H >< S+ 0 0 30 -4,-2.2 3,-1.1 -5,-0.3 -2,-0.2 0.951 111.9 49.2 -72.6 -44.2 -47.3 -2.6 -8.1 225 281 A K H >< S+ 0 0 102 -4,-2.4 3,-2.0 1,-0.3 4,-0.3 0.907 104.2 59.4 -59.3 -42.2 -49.2 0.7 -7.6 226 282 A A H 3< S+ 0 0 25 -4,-2.9 -1,-0.3 1,-0.3 3,-0.2 0.745 109.2 45.0 -58.5 -24.9 -46.9 2.5 -10.1 227 283 A E T << S+ 0 0 55 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.260 72.2 119.0-104.4 12.4 -48.0 0.0 -12.8 228 284 A E S < S+ 0 0 146 -3,-2.0 2,-1.4 1,-0.3 -1,-0.2 0.904 77.4 53.9 -43.0 -47.4 -51.8 0.1 -12.1 229 285 A G S S+ 0 0 76 -4,-0.3 2,-0.4 -3,-0.2 -1,-0.3 -0.642 86.5 127.9 -91.8 82.1 -52.2 1.3 -15.6 230 286 A A - 0 0 39 -2,-1.4 -3,-0.1 1,-0.1 3,-0.0 -0.982 57.1-147.5-146.0 137.1 -50.4 -1.3 -17.6 231 287 A Q S S- 0 0 201 -2,-0.4 2,-0.2 2,-0.0 -1,-0.1 0.869 89.5 -11.6 -57.9 -44.3 -51.0 -3.6 -20.5 232 288 A D S S- 0 0 87 -5,-0.0 3,-0.3 0, 0.0 4,-0.2 -0.768 76.7 -93.4-145.9-170.8 -48.8 -6.3 -19.0 233 289 A D S > S+ 0 0 57 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.213 86.3 101.5 -99.4 11.0 -46.2 -6.8 -16.3 234 290 A E H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 85.9 48.8 -66.4 -34.3 -42.9 -6.1 -18.1 235 291 A G H > S+ 0 0 17 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.886 112.0 49.2 -66.7 -42.2 -42.7 -2.6 -16.5 236 292 A L H > S+ 0 0 0 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 110.4 50.4 -60.7 -44.3 -43.4 -4.0 -13.1 237 293 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.839 104.4 59.6 -67.1 -31.7 -40.7 -6.7 -13.6 238 294 A D H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.928 109.8 41.7 -61.1 -44.0 -38.3 -4.0 -14.6 239 295 A N H X S+ 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A E H X5S+ 0 0 7 -4,-2.2 4,-2.1 -5,-0.3 -3,-0.2 0.897 107.2 46.6 -71.7 -33.6 -25.6 -5.6 -4.2 250 306 A T H > S+ 0 0 12 -5,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.904 111.0 52.5 -62.8 -43.3 -24.8 -1.9 -0.0 252 308 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.890 109.0 48.4 -61.3 -41.2 -23.0 -5.3 0.1 253 309 A N H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.897 110.8 51.2 -67.9 -39.0 -20.0 -3.9 -1.9 254 310 A H H X S+ 0 0 13 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.926 111.7 47.2 -60.9 -43.0 -19.8 -0.8 0.4 255 311 A L H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.934 112.1 50.6 -64.6 -42.1 -19.8 -3.0 3.4 256 312 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.919 110.1 48.7 -63.2 -45.0 -17.1 -5.3 1.9 257 313 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.872 111.2 50.9 -58.4 -41.1 -14.8 -2.3 1.0 258 314 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.934 112.3 45.5 -66.3 -43.2 -15.2 -1.0 4.6 259 315 A V H X S+ 0 0 9 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.918 114.0 51.3 -64.9 -41.3 -14.3 -4.3 6.2 260 316 A M H 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