==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-APR-10 3MJM . COMPND 2 MOLECULE: DIHYDROOROTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI ATCC 8739; . AUTHOR K.E.ERNBERG,J.M.GUSS,M.LEE,M.J.MAHER . 687 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.3 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 . 50 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 2 4 4 2 4 2 2 2 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 8 4 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 . 2 6 0 0 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 . 4 2 0 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 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 3 A P 0 0 181 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 122.5 12.6 31.7 108.3 2 4 A S - 0 0 69 1,-0.1 313,-0.1 311,-0.0 2,-0.1 -0.295 360.0-101.0 -60.0 137.6 14.0 31.9 104.7 3 5 A Q - 0 0 94 311,-0.4 311,-2.7 310,-0.1 2,-0.4 -0.332 35.7-147.3 -60.7 135.4 17.7 31.4 104.4 4 6 A V E -A 313 0A 70 309,-0.2 2,-0.5 -3,-0.1 309,-0.2 -0.870 9.9-163.6-108.2 141.0 19.8 34.5 103.9 5 7 A L E -A 312 0A 27 307,-3.1 307,-3.0 -2,-0.4 2,-0.5 -0.953 11.5-167.5-122.8 106.6 22.9 34.8 101.8 6 8 A K E +A 311 0A 129 -2,-0.5 2,-0.3 305,-0.2 305,-0.2 -0.847 13.5 168.2 -99.9 129.9 24.9 38.0 102.7 7 9 A I E -A 310 0A 4 303,-2.6 303,-2.9 -2,-0.5 2,-0.1 -0.937 43.4 -93.6-133.8 152.5 27.7 39.1 100.3 8 10 A R E S-A 309 0A 89 -2,-0.3 301,-0.3 301,-0.3 299,-0.1 -0.440 70.6 -78.0 -54.0 144.6 29.9 42.1 99.8 9 11 A R - 0 0 52 299,-2.8 297,-0.4 -2,-0.1 -1,-0.1 -0.227 58.6-132.6 -51.7 130.7 28.3 44.1 97.1 10 12 A P - 0 0 0 0, 0.0 25,-2.7 0, 0.0 26,-0.4 -0.225 12.3-145.9 -82.8 175.1 29.0 42.5 93.8 11 13 A D - 0 0 0 282,-1.8 2,-0.6 23,-0.2 26,-0.2 -0.933 14.3-127.6-133.7 155.6 30.2 44.0 90.5 12 14 A D E -c 37 0B 0 24,-2.4 26,-2.4 -2,-0.3 3,-0.2 -0.928 16.4-169.8-109.0 110.8 29.4 43.0 86.9 13 15 A W E S+ 0 0 0 232,-2.4 233,-0.2 -2,-0.6 2,-0.2 0.363 77.8 38.0 -84.7 6.7 32.6 42.5 84.9 14 16 A H E S+ 0 0 0 231,-0.1 234,-3.2 160,-0.0 235,-0.7 -0.639 75.1 156.0-160.4 99.9 30.8 42.3 81.5 15 17 A L E -cd 39 249B 0 23,-2.3 25,-3.2 -3,-0.2 2,-0.6 -0.961 31.7-155.4-136.0 139.8 27.8 44.5 80.7 16 18 A H + 0 0 7 233,-1.8 23,-0.1 -2,-0.4 -2,-0.0 -0.962 19.0 165.9-109.1 117.9 25.9 46.0 77.8 17 19 A L - 0 0 2 -2,-0.6 9,-0.2 23,-0.3 10,-0.2 0.503 25.8-160.2-105.3 -8.4 24.0 49.2 78.7 18 20 A R - 0 0 45 22,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.191 22.8 -97.4 58.0-150.6 23.2 50.4 75.2 19 21 A D S >> S+ 0 0 56 40,-0.0 4,-1.3 41,-0.0 3,-0.8 -0.876 72.9 22.7-150.6 177.5 22.4 54.1 74.8 20 22 A G H 3> S- 0 0 38 -2,-0.3 4,-1.6 1,-0.2 0, 0.0 -0.261 122.3 -13.1 64.7-141.3 19.5 56.5 74.6 21 23 A D H 3> S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.841 136.1 57.6 -66.7 -36.5 16.1 55.4 76.0 22 24 A M H <> S+ 0 0 40 -3,-0.8 4,-2.6 1,-0.2 5,-0.2 0.947 104.9 51.6 -61.0 -48.8 17.2 51.8 76.2 23 25 A L H X S+ 0 0 4 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.901 107.0 54.2 -48.8 -47.8 20.1 52.8 78.5 24 26 A K H < S+ 0 0 141 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.903 112.8 43.3 -57.8 -40.2 17.6 54.7 80.8 25 27 A T H < S+ 0 0 31 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.911 120.0 39.4 -72.0 -41.4 15.4 51.6 81.2 26 28 A V H >X S+ 0 0 1 -4,-2.6 3,-1.0 -9,-0.2 4,-0.7 0.779 96.7 74.0 -88.2 -25.6 18.2 49.1 81.7 27 29 A V H >X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 3,-1.8 0.902 89.1 59.9 -56.6 -46.2 20.7 50.9 83.9 28 30 A P H 3> S+ 0 0 33 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.812 96.8 61.6 -56.3 -26.9 18.6 50.7 87.1 29 31 A Y H <4 S+ 0 0 75 -3,-1.0 -2,-0.2 -4,-0.3 4,-0.2 0.791 115.5 33.7 -69.6 -23.9 18.6 46.9 87.0 30 32 A T H XX S+ 0 0 2 -3,-1.8 4,-2.8 -4,-0.7 3,-1.5 0.880 116.2 52.7 -90.7 -48.3 22.4 47.0 87.3 31 33 A S H 3< S+ 0 0 2 -4,-2.8 38,-0.2 1,-0.3 -2,-0.2 0.734 99.9 62.4 -69.8 -24.9 22.8 50.1 89.5 32 34 A E T 3< S+ 0 0 123 -4,-1.7 -1,-0.3 -5,-0.3 37,-0.1 0.801 122.9 17.2 -62.2 -28.9 20.5 48.9 92.3 33 35 A I T <4 S+ 0 0 21 -3,-1.5 2,-0.3 -4,-0.2 -2,-0.2 0.779 111.3 68.5-117.8 -44.5 22.7 45.8 92.9 34 36 A Y < - 0 0 1 -4,-2.8 -23,-0.2 1,-0.1 3,-0.1 -0.704 55.1-154.3 -94.7 139.3 26.2 46.2 91.5 35 37 A G S S- 0 0 4 -25,-2.7 36,-2.4 -2,-0.3 2,-0.3 0.881 83.0 -0.7 -70.9 -43.1 28.9 48.7 92.8 36 38 A R E - e 0 71B 25 -26,-0.4 -24,-2.4 34,-0.2 2,-0.3 -0.958 63.8-163.3-142.2 157.5 30.7 48.8 89.5 37 39 A A E -ce 12 72B 0 34,-1.3 36,-3.5 -2,-0.3 2,-0.7 -0.990 27.8-120.1-144.1 143.7 30.3 47.3 86.0 38 40 A I E - e 0 73B 0 -26,-2.4 -23,-2.3 -2,-0.3 2,-0.7 -0.707 35.4-150.7 -72.5 110.7 32.6 46.9 83.0 39 41 A V E -ce 15 74B 1 34,-3.3 36,-0.7 -2,-0.7 -23,-0.2 -0.807 10.8-133.2 -96.4 116.4 30.6 48.7 80.4 40 42 A M - 0 0 1 -25,-3.2 -23,-0.3 -2,-0.7 -22,-0.1 -0.213 4.2-138.4 -72.8 159.6 31.2 47.3 76.9 41 43 A P + 0 0 1 0, 0.0 6,-2.5 0, 0.0 2,-2.0 0.246 61.5 119.5-106.7 11.0 31.9 49.7 74.0 42 44 A N + 0 0 56 4,-0.2 2,-0.1 34,-0.1 -2,-0.1 -0.209 37.5 138.0 -80.8 50.8 29.9 48.2 71.1 43 45 A L - 0 0 27 -2,-2.0 -24,-0.0 2,-0.1 4,-0.0 -0.299 66.1 -82.0 -77.7 174.9 27.6 51.1 70.5 44 46 A A S S+ 0 0 104 1,-0.3 -2,-0.1 2,-0.1 3,-0.0 -0.893 133.4 22.9-118.1 99.1 26.7 52.4 67.0 45 47 A P S S- 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.538 117.0-120.0 -77.3 160.0 29.1 54.0 66.4 46 48 A P - 0 0 15 0, 0.0 2,-0.9 0, 0.0 -4,-0.2 -0.238 22.9-102.2 -68.0 158.6 31.4 52.2 68.8 47 49 A V + 0 0 5 -6,-2.5 30,-3.1 1,-0.2 3,-0.1 -0.708 61.5 143.6 -80.2 102.9 33.2 53.9 71.7 48 50 A T + 0 0 34 -2,-0.9 2,-0.3 28,-0.2 -1,-0.2 0.190 51.6 61.3-128.2 7.8 36.8 54.3 70.3 49 51 A T S > S- 0 0 54 1,-0.1 4,-2.0 33,-0.1 5,-0.2 -0.991 77.9-122.1-136.4 156.2 37.8 57.7 71.8 50 52 A V H > S+ 0 0 4 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.909 112.7 53.8 -58.6 -44.1 38.3 59.2 75.2 51 53 A E H > S+ 0 0 159 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 109.5 46.3 -62.1 -41.9 35.8 62.0 74.5 52 54 A A H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.830 112.3 51.3 -67.9 -36.9 33.0 59.5 73.5 53 55 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.896 110.2 49.7 -65.9 -39.3 33.8 57.4 76.6 54 56 A V H X S+ 0 0 65 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.933 113.3 45.0 -64.3 -48.2 33.5 60.4 78.8 55 57 A A H X S+ 0 0 43 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.889 113.7 50.3 -62.6 -41.1 30.2 61.5 77.2 56 58 A Y H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.936 107.1 54.2 -64.6 -43.9 28.8 57.9 77.4 57 59 A R H X S+ 0 0 70 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.908 109.1 48.7 -53.2 -47.3 29.8 57.6 81.1 58 60 A Q H X S+ 0 0 102 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.866 107.7 53.5 -64.6 -35.5 27.9 60.8 81.9 59 61 A R H X S+ 0 0 93 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.931 111.5 47.7 -64.0 -42.4 24.8 59.5 80.0 60 62 A I H >X S+ 0 0 0 -4,-2.7 3,-0.6 2,-0.2 4,-0.6 0.935 111.1 49.1 -59.8 -47.4 25.0 56.4 82.1 61 63 A L H >< S+ 0 0 71 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.881 106.6 57.0 -63.5 -40.0 25.4 58.5 85.4 62 64 A D H 3< S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 107.1 50.8 -51.6 -36.3 22.4 60.6 84.4 63 65 A A H << S+ 0 0 18 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.503 83.1 106.1 -89.1 -4.3 20.4 57.4 84.2 64 66 A V S << S- 0 0 25 -3,-1.0 3,-0.1 -4,-0.6 -40,-0.0 -0.639 77.2-117.1 -75.2 122.9 21.3 56.1 87.6 65 67 A P > - 0 0 44 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.227 44.8 -79.3 -61.6 149.4 18.4 56.4 90.0 66 68 A A T 3 S+ 0 0 108 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.152 113.9 14.5 -53.2 129.5 19.0 58.7 93.0 67 69 A G T 3 S+ 0 0 83 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.286 85.3 129.1 91.6 -11.9 21.0 57.0 95.8 68 70 A H < - 0 0 53 -3,-2.0 2,-1.2 1,-0.1 -1,-0.3 -0.652 55.1-140.9 -71.7 129.3 22.3 54.0 93.9 69 71 A D + 0 0 118 -2,-0.4 2,-0.4 -38,-0.2 -1,-0.1 -0.761 45.2 149.2 -93.4 93.3 26.1 53.8 94.4 70 72 A F - 0 0 10 -2,-1.2 -34,-0.2 -9,-0.1 -35,-0.1 -0.995 28.7-171.4-134.3 129.6 27.1 52.8 90.9 71 73 A T E -e 36 0B 67 -36,-2.4 -34,-1.3 -2,-0.4 2,-0.3 -0.969 17.6-142.5-120.2 117.7 30.3 53.5 88.9 72 74 A P E -e 37 0B 3 0, 0.0 2,-0.6 0, 0.0 -34,-0.2 -0.617 8.8-150.3 -78.5 133.8 30.5 52.5 85.3 73 75 A L E -e 38 0B 20 -36,-3.5 -34,-3.3 -2,-0.3 23,-0.1 -0.937 23.8-143.8-103.5 114.9 34.0 51.3 84.3 74 76 A M E -ef 39 96B 1 21,-0.7 23,-2.9 -2,-0.6 24,-1.1 -0.384 13.9-159.3 -89.9 160.1 34.4 52.2 80.6 75 77 A T E - f 0 98B 2 -36,-0.7 2,-0.4 21,-0.2 24,-0.2 -0.937 14.7-128.8-132.3 155.5 36.1 50.4 77.8 76 78 A C E - f 0 99B 0 22,-1.5 24,-2.5 -2,-0.3 2,-0.6 -0.903 23.5-128.1-100.2 132.8 37.6 51.2 74.4 77 79 A Y E - f 0 100B 40 -30,-3.1 2,-0.2 -2,-0.4 24,-0.2 -0.715 29.5-127.7 -73.9 115.6 36.5 49.2 71.3 78 80 A L + 0 0 1 22,-2.5 24,-0.3 -2,-0.6 2,-0.3 -0.492 39.3 165.9 -67.5 130.3 39.7 48.0 69.7 79 81 A T > - 0 0 1 -2,-0.2 3,-0.5 34,-0.1 35,-0.3 -0.938 48.8-109.3-137.9 167.5 39.9 48.8 65.9 80 82 A D T 3 S+ 0 0 47 33,-2.5 31,-0.1 -2,-0.3 34,-0.1 0.851 118.3 46.8 -64.2 -35.6 42.6 48.9 63.2 81 83 A S T 3 S+ 0 0 70 29,-1.8 -1,-0.2 32,-0.3 30,-0.1 0.590 81.5 123.2 -87.4 -10.5 42.6 52.7 63.1 82 84 A L < - 0 0 17 -3,-0.5 41,-0.1 28,-0.3 -33,-0.1 -0.293 61.3-132.3 -54.8 122.6 42.8 53.2 66.9 83 85 A D >> - 0 0 86 1,-0.1 4,-1.8 -2,-0.1 3,-1.2 -0.686 6.6-140.4 -76.1 123.1 45.8 55.4 67.8 84 86 A P H 3> S+ 0 0 24 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.798 102.4 59.8 -55.7 -29.9 47.6 53.7 70.7 85 87 A N H 3> S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.792 102.9 51.4 -66.9 -31.2 48.2 57.2 72.2 86 88 A E H <> S+ 0 0 48 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.939 111.1 47.5 -68.9 -45.4 44.4 57.7 72.4 87 89 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.955 114.1 47.1 -58.1 -51.1 44.1 54.4 74.2 88 90 A E H X S+ 0 0 56 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.884 110.8 50.7 -57.6 -44.8 47.0 55.3 76.7 89 91 A R H X S+ 0 0 107 -4,-2.1 4,-2.4 2,-0.2 6,-0.3 0.931 110.8 50.5 -60.4 -43.6 45.6 58.8 77.4 90 92 A G H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 6,-1.1 0.916 113.7 44.0 -60.7 -44.9 42.2 57.2 78.2 91 93 A F H ><5S+ 0 0 53 -4,-2.3 3,-1.9 4,-0.2 -2,-0.2 0.948 113.3 50.7 -65.3 -49.2 43.8 54.7 80.5 92 94 A N H 3<5S+ 0 0 105 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.864 110.4 50.3 -58.4 -36.9 46.1 57.3 82.2 93 95 A E T 3<5S- 0 0 103 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.330 115.5-114.8 -84.6 3.9 43.1 59.6 82.8 94 96 A G T < 5S+ 0 0 46 -3,-1.9 -20,-0.2 2,-0.2 -3,-0.2 0.628 87.5 113.7 73.7 12.3 41.0 56.8 84.4 95 97 A V S - 0 0 62 9,-2.1 3,-1.7 -2,-0.1 11,-0.1 -0.908 27.2-144.3-156.7 121.3 37.1 40.1 60.2 106 108 A A T 3 S+ 0 0 86 -2,-0.3 9,-0.1 1,-0.3 10,-0.1 0.740 101.7 51.7 -63.4 -22.0 39.1 41.1 57.1 107 109 A T T 3 S+ 0 0 125 8,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.415 81.7 116.6 -95.9 -0.7 36.1 43.0 55.7 108 110 A T S < S- 0 0 39 -3,-1.7 5,-0.1 6,-0.2 -3,-0.1 -0.478 74.3-108.3 -71.8 138.8 35.4 45.1 58.8 109 111 A N >> - 0 0 104 -2,-0.2 3,-1.9 1,-0.1 4,-1.1 -0.374 24.7-123.7 -57.9 140.8 35.7 48.9 58.4 110 112 A S T 34 S+ 0 0 56 1,-0.3 -29,-1.8 2,-0.2 -28,-0.3 0.667 111.9 56.4 -66.5 -13.5 38.9 50.2 60.2 111 113 A S T 34 S+ 0 0 51 -31,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.577 114.1 40.2 -85.2 -10.4 36.7 52.6 62.2 112 114 A H T <4 S- 0 0 88 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.469 120.4 -31.8-122.8 -7.4 34.6 49.7 63.5 113 115 A G < - 0 0 3 -4,-1.1 -33,-2.5 -5,-0.1 2,-0.4 -0.991 68.1 -57.9 175.3-164.5 36.9 46.8 64.3 114 116 A V - 0 0 3 -2,-0.3 -9,-2.1 -11,-0.3 -6,-0.2 -0.824 16.1-164.6-111.5 136.2 40.0 44.7 63.7 115 117 A T S S- 0 0 47 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.808 80.1 -17.4 -85.1 -35.2 41.1 42.9 60.5 116 118 A S > - 0 0 46 -12,-0.1 4,-0.6 -11,-0.1 -1,-0.4 -0.968 60.9-110.2-162.6 159.9 43.7 40.8 62.4 117 119 A V T >4 S+ 0 0 29 -2,-0.3 3,-1.2 1,-0.2 4,-0.2 0.895 118.3 60.1 -61.3 -40.6 45.6 40.6 65.6 118 120 A D G >4 S+ 0 0 128 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.875 98.6 58.7 -48.6 -43.9 48.8 41.4 63.7 119 121 A A G 34 S+ 0 0 42 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.717 110.2 41.3 -65.2 -24.1 47.1 44.7 62.6 120 122 A I G S+ 0 0 17 -3,-1.4 4,-3.2 1,-0.2 5,-0.3 0.886 74.1 58.4 -55.9 -41.1 50.0 44.8 67.7 122 124 A P H > S+ 0 0 74 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.933 111.4 42.3 -54.3 -42.9 51.1 48.4 68.3 123 125 A V H > S+ 0 0 4 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.915 115.1 48.3 -71.3 -42.5 48.0 48.9 70.5 124 126 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.901 110.5 52.6 -64.5 -40.7 48.2 45.5 72.3 125 127 A E H X S+ 0 0 83 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.2 0.865 107.9 51.6 -61.4 -38.8 51.9 46.2 73.0 126 128 A R H X S+ 0 0 68 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.867 109.7 49.3 -65.3 -36.8 50.9 49.6 74.5 127 129 A M H X>S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 4,-1.1 0.913 110.6 50.6 -67.5 -44.6 48.3 47.8 76.8 128 130 A E H ><5S+ 0 0 50 -4,-2.6 3,-0.5 3,-0.2 -2,-0.2 0.940 111.6 49.2 -53.8 -48.5 50.9 45.3 77.8 129 131 A K H 3<5S+ 0 0 102 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.0 36.2 -57.8 -51.0 53.3 48.2 78.6 130 132 A I H 3<5S- 0 0 37 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.467 112.4-114.7 -85.0 -3.9 50.9 50.3 80.7 131 133 A G T <<5 + 0 0 43 -4,-1.1 -3,-0.2 -3,-0.5 -4,-0.1 0.833 57.0 158.6 70.3 34.7 49.2 47.2 82.3 132 134 A M < - 0 0 0 -5,-2.1 38,-0.3 -6,-0.2 -1,-0.2 -0.788 41.1-120.8 -85.6 127.6 45.8 47.8 80.8 133 135 A P - 0 0 9 0, 0.0 -34,-1.9 0, 0.0 2,-0.5 -0.423 16.9-140.3 -73.5 145.1 43.7 44.5 80.7 134 136 A L E -gh 99 171B 0 36,-3.0 38,-2.5 -36,-0.2 2,-0.5 -0.918 9.1-154.8-102.0 124.7 42.5 43.2 77.4 135 137 A L E -gh 100 172B 0 -36,-3.0 -34,-3.1 -2,-0.5 2,-0.5 -0.877 15.8-156.9-101.9 128.8 39.0 41.7 77.3 136 138 A V E -gh 101 173B 0 36,-2.8 38,-2.0 -2,-0.5 2,-1.1 -0.929 25.1-159.7-117.6 124.0 38.5 39.1 74.6 137 139 A H - 0 0 17 -36,-2.4 2,-1.6 -2,-0.5 38,-0.1 -0.872 34.4-155.1 -88.1 96.0 35.4 37.9 72.8 138 140 A G + 0 0 2 -2,-1.1 2,-0.3 36,-0.4 16,-0.2 -0.542 43.5 113.3 -91.7 78.8 37.3 34.8 71.8 139 141 A E - 0 0 7 -2,-1.6 2,-0.5 15,-0.1 12,-0.2 -0.990 56.0-137.1-135.5 143.6 35.7 33.4 68.6 140 142 A V - 0 0 14 10,-1.3 14,-0.1 -2,-0.3 13,-0.1 -0.886 17.3-161.9 -94.6 131.0 37.0 33.1 65.1 141 143 A T + 0 0 46 -37,-0.5 -1,-0.1 -2,-0.5 2,-0.1 0.085 31.8 145.3-109.6 28.7 34.1 34.1 62.8 142 144 A H > - 0 0 113 1,-0.1 3,-2.3 2,-0.1 -2,-0.1 -0.386 56.7-122.9 -69.1 139.8 35.2 32.6 59.4 143 145 A A T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.793 108.5 57.7 -58.1 -31.7 32.3 31.4 57.3 144 146 A D T 3 S+ 0 0 142 2,-0.1 2,-0.7 426,-0.0 -1,-0.3 0.376 86.8 93.2 -82.2 4.2 33.7 27.8 57.0 145 147 A I S < S- 0 0 28 -3,-2.3 5,-0.1 405,-0.0 -1,-0.0 -0.887 82.0-121.0-102.3 121.1 33.9 27.4 60.8 146 148 A D >> - 0 0 16 -2,-0.7 3,-2.0 1,-0.1 4,-0.5 -0.263 25.2-119.7 -52.6 137.0 30.9 25.7 62.4 147 149 A I G >4 S+ 0 0 3 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.834 112.2 52.6 -53.3 -39.4 29.3 28.0 65.0 148 150 A F G 34 S+ 0 0 13 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.683 108.2 53.2 -71.2 -17.5 29.8 25.6 67.9 149 151 A D G <> S+ 0 0 58 -3,-2.0 4,-2.5 1,-0.1 -1,-0.2 0.480 82.9 91.5 -89.7 -7.5 33.6 25.2 67.0 150 152 A R H S+ 0 0 1 -4,-0.3 4,-1.7 -12,-0.2 -1,-0.2 0.958 114.2 46.8 -66.6 -52.5 35.5 29.3 70.6 152 154 A A H > S+ 0 0 32 -4,-0.3 4,-1.5 1,-0.2 3,-0.2 0.933 111.3 53.3 -56.8 -44.0 37.7 26.2 70.6 153 155 A R H X S+ 0 0 26 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.875 104.9 55.3 -58.0 -39.1 39.2 27.4 67.3 154 156 A F H X>S+ 0 0 10 -4,-1.6 4,-2.5 -16,-0.2 5,-2.4 0.895 101.9 56.7 -62.3 -40.9 40.0 30.8 68.8 155 157 A I H <>S+ 0 0 19 -4,-1.7 5,-2.5 -3,-0.2 -1,-0.2 0.969 116.7 34.8 -53.1 -53.9 42.0 29.3 71.7 156 158 A E H <5S+ 0 0 93 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 126.1 36.6 -69.3 -46.3 44.3 27.5 69.3 157 159 A S H <5S+ 0 0 80 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.713 135.2 4.1 -86.5 -26.1 44.6 30.0 66.5 158 160 A V T X5S+ 0 0 29 -4,-2.5 4,-2.5 -5,-0.3 -3,-0.2 0.683 120.0 53.6-129.0 -52.3 44.6 33.4 68.3 159 161 A M H > S+ 0 0 58 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.895 113.0 52.4 -61.0 -41.9 49.8 32.8 70.1 162 164 A L H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 3,-0.3 0.937 113.2 42.9 -57.1 -48.7 48.7 36.2 71.3 163 165 A R H < S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.801 110.5 55.9 -71.4 -30.4 49.6 35.3 74.9 164 166 A Q H < S+ 0 0 125 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.2 0.791 114.4 41.2 -66.2 -30.6 52.9 33.6 73.8 165 167 A R H < S+ 0 0 132 -4,-1.5 2,-0.7 -3,-0.3 -2,-0.2 0.878 120.4 40.6 -85.7 -41.0 53.9 36.9 72.1 166 168 A L >< + 0 0 2 -4,-2.5 3,-1.5 -5,-0.2 -1,-0.2 -0.706 69.3 170.9-111.1 76.0 52.7 39.4 74.8 167 169 A T T 3 S+ 0 0 99 -2,-0.7 -1,-0.1 -3,-0.3 24,-0.1 0.589 74.9 46.7 -68.0 -14.5 53.7 37.6 78.0 168 170 A A T 3 S+ 0 0 38 2,-0.1 2,-0.3 23,-0.0 -1,-0.3 0.412 84.4 114.5-104.8 -0.1 52.9 40.5 80.4 169 171 A L < - 0 0 6 -3,-1.5 2,-0.4 -6,-0.2 -41,-0.1 -0.594 62.2-135.6 -78.8 128.1 49.5 41.3 79.0 170 172 A K - 0 0 40 -2,-0.3 -36,-3.0 -38,-0.3 2,-0.4 -0.717 28.4-171.9 -80.2 129.1 46.5 40.7 81.3 171 173 A V E -hi 134 192B 0 20,-2.8 22,-2.2 -2,-0.4 2,-0.6 -0.988 20.6-159.3-133.0 130.7 43.7 39.0 79.5 172 174 A V E -hi 135 193B 0 -38,-2.5 -36,-2.8 -2,-0.4 2,-1.2 -0.960 15.2-147.4-104.2 119.8 40.1 38.2 80.4 173 175 A F E -hi 136 194B 1 20,-3.1 22,-1.3 -2,-0.6 3,-0.5 -0.749 31.3-139.6 -81.3 99.9 38.6 35.5 78.3 174 176 A E - 0 0 0 -38,-2.0 -36,-0.4 -2,-1.2 22,-0.1 -0.257 61.0 -11.5 -71.4 147.2 35.1 36.8 78.3 175 177 A H S S- 0 0 1 1,-0.1 21,-0.2 71,-0.1 -1,-0.2 0.757 77.7-158.1 33.9 66.2 31.9 34.6 78.7 176 178 A I + 0 0 0 19,-2.0 21,-0.3 -3,-0.5 -1,-0.1 -0.419 18.5 178.1 -72.6 151.6 33.6 31.3 78.2 177 179 A T + 0 0 2 -2,-0.1 2,-0.3 19,-0.1 47,-0.3 0.368 48.8 67.8-138.0 -0.7 31.2 28.6 77.1 178 180 A T S > S- 0 0 2 1,-0.1 4,-2.5 53,-0.1 5,-0.2 -0.890 73.5-124.4-129.5 155.9 33.3 25.4 76.6 179 181 A K H > S+ 0 0 95 -2,-0.3 4,-2.6 2,-0.2 5,-0.3 0.845 113.6 63.2 -59.5 -32.3 35.3 22.8 78.4 180 182 A D H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.960 109.8 37.4 -57.5 -49.4 38.1 23.8 76.0 181 183 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.882 113.2 55.5 -73.6 -39.9 38.1 27.3 77.5 182 184 A A H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.932 113.3 43.0 -59.2 -44.9 37.5 26.3 81.1 183 185 A D H X S+ 0 0 62 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.936 112.5 53.3 -64.2 -44.5 40.6 24.0 80.9 184 186 A Y H < S+ 0 0 36 -4,-2.3 4,-0.3 -5,-0.3 -2,-0.2 0.930 114.3 41.2 -55.9 -48.5 42.6 26.6 79.1 185 187 A V H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.910 112.8 54.2 -68.0 -41.8 41.8 29.2 81.8 186 188 A R H 3< S+ 0 0 70 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.881 113.2 43.4 -59.5 -38.4 42.3 26.6 84.7 187 189 A D T 3< S+ 0 0 135 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.395 100.1 96.7 -90.2 2.9 45.7 25.7 83.4 188 190 A G S < S- 0 0 21 -3,-1.3 2,-0.1 -4,-0.3 -3,-0.1 -0.092 73.2-101.7 -83.9-175.4 46.8 29.4 82.7 189 191 A N > - 0 0 76 4,-0.0 3,-2.2 1,-0.0 -1,-0.2 -0.327 45.6 -80.0-101.1-175.5 48.8 31.8 84.8 190 192 A E T 3 S+ 0 0 73 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.583 124.6 63.5 -65.9 -9.2 47.9 34.8 87.0 191 193 A R T 3 S+ 0 0 107 -24,-0.1 -20,-2.8 -21,-0.1 2,-0.5 0.365 91.7 75.7 -94.5 3.9 47.6 36.9 83.9 192 194 A L E < +i 171 0B 0 -3,-2.2 2,-0.2 -22,-0.2 -20,-0.2 -0.976 55.4 155.9-124.9 124.3 44.6 34.9 82.5 193 195 A A E -i 172 0B 0 -22,-2.2 -20,-3.1 -2,-0.5 2,-0.3 -0.746 19.6-151.7-132.5 179.9 41.1 35.2 83.8 194 196 A A E -ij 173 243B 0 48,-1.6 50,-1.9 -22,-0.3 2,-0.4 -0.989 7.7-143.8-154.0 149.6 37.5 34.5 82.6 195 197 A T E - j 0 244B 0 -22,-1.3 -19,-2.0 -2,-0.3 2,-0.4 -0.896 14.4-159.8-109.8 151.6 33.9 35.6 83.1 196 198 A I E - j 0 245B 0 48,-1.1 50,-1.0 -2,-0.4 -19,-0.1 -0.999 10.7-138.2-131.0 134.5 30.9 33.3 82.9 197 199 A T > - 0 0 0 -2,-0.4 4,-0.7 -21,-0.3 50,-0.2 -0.374 23.7-116.0 -82.4 163.3 27.3 34.3 82.3 198 200 A P H >> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 3,-0.6 0.885 113.2 56.4 -69.2 -37.0 24.3 32.9 84.2 199 201 A Q H 3> S+ 0 0 0 48,-0.3 4,-2.4 1,-0.2 48,-0.0 0.889 103.3 52.5 -65.5 -39.0 22.8 31.4 81.0 200 202 A H H 34 S+ 0 0 4 1,-0.2 -1,-0.2 2,-0.2 33,-0.2 0.699 114.8 43.9 -69.9 -17.8 26.0 29.3 80.2 201 203 A L H << S+ 0 0 0 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.843 119.7 39.8 -84.6 -41.9 25.9 27.9 83.7 202 204 A M H < S+ 0 0 38 -4,-2.5 2,-0.2 -5,-0.1 -2,-0.2 0.789 119.4 26.6 -81.3 -29.7 22.1 27.2 83.8 203 205 A F < - 0 0 36 -4,-2.4 2,-0.3 -5,-0.2 21,-0.2 -0.768 53.6-156.7-127.8 171.5 21.5 25.9 80.3 204 206 A N >> - 0 0 15 -2,-0.2 3,-1.4 19,-0.1 4,-0.7 -0.823 52.0 -79.7-134.7-178.7 22.9 24.2 77.3 205 207 A R H >> S+ 0 0 8 19,-2.5 4,-1.3 -2,-0.3 3,-0.7 0.769 122.6 67.4 -57.9 -28.8 21.9 24.2 73.7 206 208 A N H 3> S+ 0 0 18 18,-0.3 4,-3.1 1,-0.2 3,-0.3 0.883 96.4 56.3 -56.1 -37.9 19.1 21.6 74.3 207 209 A H H <4 S+ 0 0 75 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.796 110.1 45.1 -65.3 -24.0 17.3 24.3 76.3 208 210 A M H << S+ 0 0 1 -3,-0.7 6,-2.5 -4,-0.7 -1,-0.2 0.737 128.9 22.3 -85.9 -23.2 17.4 26.6 73.2 209 211 A L H >< S+ 0 0 0 -4,-1.3 3,-0.7 -3,-0.3 2,-0.6 0.607 93.3 93.0-127.7 -19.5 16.4 24.0 70.6 210 212 A V T 3< S+ 0 0 43 -4,-3.1 240,-0.0 1,-0.2 -1,-0.0 -0.746 102.9 5.2 -90.7 122.5 14.4 21.0 72.2 211 213 A G T 3 S- 0 0 68 -2,-0.6 -1,-0.2 239,-0.2 2,-0.2 0.467 139.8 -17.3 88.3 7.5 10.6 21.5 72.1 212 214 A G S < S- 0 0 3 -3,-0.7 2,-0.5 395,-0.1 395,-0.2 -0.722 82.5 -80.5 145.8 166.7 10.9 24.8 70.1 213 215 A V B -L 606 0C 3 393,-1.5 393,-2.8 -2,-0.2 -4,-0.2 -0.886 38.9-159.8-101.4 127.5 13.4 27.4 69.2 214 216 A R >> - 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