==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-OCT-05 2BDT . COMPND 2 MOLECULE: BH3686; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR F.FOROUHAR,M.ABASHIDZE,S.JAYARAMAN,H.JANJUA,B.COOPER,R.XIAO, . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 13.4 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 . 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 . 15 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 0 1 1 0 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 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 . 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 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 1 A X 0 0 144 0, 0.0 2,-0.2 0, 0.0 100,-0.2 0.000 360.0 360.0 360.0 173.5 40.5 10.3 100.9 2 2 A K E -a 101 0A 31 98,-1.8 100,-2.1 97,-0.3 2,-0.4 -0.611 360.0-152.7 -97.5 156.0 37.0 11.1 99.7 3 3 A K E -a 102 0A 49 -2,-0.2 73,-2.6 98,-0.2 2,-0.5 -0.985 4.9-160.8-133.4 139.9 35.1 9.6 96.7 4 4 A L E -ab 103 76A 0 98,-2.1 100,-3.0 -2,-0.4 2,-0.6 -0.980 6.4-163.4-119.6 128.3 32.3 10.9 94.5 5 5 A Y E -ab 104 77A 0 71,-3.1 73,-2.8 -2,-0.5 2,-1.0 -0.933 3.0-168.1-116.3 109.4 30.2 8.6 92.4 6 6 A I E -ab 105 78A 3 98,-3.2 100,-2.8 -2,-0.6 2,-0.7 -0.812 12.7-175.7 -98.3 94.8 28.2 10.1 89.6 7 7 A I E +ab 106 79A 1 71,-2.3 73,-1.3 -2,-1.0 100,-0.2 -0.832 16.3 151.9 -95.6 114.0 25.9 7.3 88.5 8 8 A T E +a 107 0A 0 98,-3.2 100,-2.4 -2,-0.7 73,-0.2 -0.538 2.5 121.8-127.5-166.5 23.8 8.2 85.5 9 9 A G - 0 0 0 98,-0.2 100,-0.1 71,-0.2 3,-0.1 -0.524 61.8 -40.6 128.9 163.3 22.0 6.5 82.6 10 10 A P S > S- 0 0 1 0, 0.0 3,-1.4 0, 0.0 5,-0.3 0.010 74.1 -81.2 -53.8 160.5 18.5 6.2 81.0 11 11 A A T 3 S+ 0 0 27 1,-0.2 108,-0.1 2,-0.1 122,-0.0 -0.335 115.2 25.3 -65.3 146.1 15.4 5.7 83.2 12 12 A G T 3 S+ 0 0 41 -3,-0.1 -1,-0.2 106,-0.1 106,-0.0 0.448 84.5 115.2 80.9 1.0 14.8 2.1 84.4 13 13 A V S < S- 0 0 7 -3,-1.4 -2,-0.1 -4,-0.1 136,-0.1 0.590 92.6-103.2 -78.5 -10.8 18.4 1.2 84.1 14 14 A G S > S+ 0 0 26 -4,-0.1 4,-2.2 -5,-0.1 5,-0.2 0.763 71.9 143.8 95.3 29.5 18.6 0.6 87.9 15 15 A K H > S+ 0 0 23 -5,-0.3 4,-3.0 2,-0.2 5,-0.2 0.933 75.6 48.7 -63.9 -48.0 20.4 3.8 89.0 16 16 A S H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.960 113.2 46.7 -56.8 -53.4 18.4 4.0 92.2 17 17 A T H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.889 115.9 45.3 -57.6 -42.3 19.0 0.4 93.1 18 18 A T H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.915 113.6 48.1 -69.8 -44.7 22.7 0.6 92.4 19 19 A C H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.913 109.9 51.5 -64.1 -43.4 23.3 3.9 94.2 20 20 A K H X S+ 0 0 102 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.878 113.7 44.8 -61.1 -39.6 21.4 2.8 97.4 21 21 A R H X S+ 0 0 89 -4,-1.4 4,-0.7 -5,-0.3 -2,-0.2 0.930 113.7 49.9 -71.4 -44.3 23.4 -0.4 97.6 22 22 A L H >X S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-1.0 0.954 111.1 48.3 -58.3 -52.5 26.7 1.4 96.9 23 23 A A H >< S+ 0 0 10 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.931 107.3 55.5 -53.2 -51.1 26.1 4.1 99.5 24 24 A A H 3< S+ 0 0 66 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.645 103.5 59.1 -59.0 -15.0 25.2 1.5 102.1 25 25 A Q H << S+ 0 0 42 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.758 88.6 80.5 -86.9 -28.7 28.5 -0.2 101.5 26 26 A L S << S- 0 0 20 -3,-1.2 3,-0.3 -4,-1.0 48,-0.0 -0.482 79.3-130.7 -79.0 152.3 30.8 2.7 102.4 27 27 A D S S+ 0 0 157 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.889 98.7 18.9 -67.5 -41.3 31.6 3.4 106.0 28 28 A N S S+ 0 0 101 2,-0.0 47,-2.7 45,-0.0 2,-0.3 -0.932 88.4 139.1-135.4 111.0 30.7 7.1 105.7 29 29 A S E -c 75 0A 37 -2,-0.4 2,-0.4 45,-0.3 47,-0.2 -0.960 37.9-141.7-150.3 165.1 28.7 8.2 102.7 30 30 A A E -c 76 0A 8 45,-2.7 47,-3.3 -2,-0.3 2,-0.6 -0.985 13.2-150.8-130.2 138.9 25.9 10.4 101.5 31 31 A Y E -c 77 0A 63 -2,-0.4 2,-0.5 45,-0.2 47,-0.2 -0.952 11.4-169.3-115.2 119.0 23.3 9.5 98.9 32 32 A I E -c 78 0A 7 45,-3.0 47,-2.9 -2,-0.6 2,-0.8 -0.929 8.1-159.9-110.7 124.4 21.8 12.3 96.7 33 33 A E E >> -c 79 0A 62 -2,-0.5 4,-1.6 45,-0.2 3,-0.9 -0.884 8.1-154.4-102.3 106.4 18.8 11.7 94.5 34 34 A G H 3> S+ 0 0 0 45,-3.1 4,-2.5 -2,-0.8 5,-0.2 0.841 90.7 57.7 -47.3 -41.4 18.7 14.4 91.8 35 35 A D H 3> S+ 0 0 73 44,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.872 102.6 51.1 -61.3 -39.9 14.9 14.0 91.4 36 36 A I H <4 S+ 0 0 109 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.920 112.6 48.6 -65.4 -38.3 14.1 14.8 95.1 37 37 A I H >< S+ 0 0 16 -4,-1.6 3,-1.5 1,-0.2 4,-0.3 0.945 112.6 47.0 -63.4 -49.0 16.2 17.9 94.8 38 38 A N H >< S+ 0 0 2 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.898 109.1 54.5 -59.8 -44.0 14.6 19.0 91.6 39 39 A H T 3< S+ 0 0 105 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.402 81.2 90.9 -75.6 5.8 11.1 18.4 92.9 40 40 A X T < + 0 0 139 -3,-1.5 2,-0.6 -4,-0.2 -1,-0.3 0.773 69.8 85.1 -70.6 -23.1 11.8 20.7 95.9 41 41 A V < + 0 0 36 -3,-1.3 3,-0.1 -4,-0.3 5,-0.1 -0.711 52.2 162.0 -81.7 120.0 10.4 23.5 93.8 42 42 A V > + 0 0 121 -2,-0.6 3,-2.3 1,-0.2 -1,-0.2 0.817 53.7 57.9-100.4 -80.9 6.6 23.6 94.1 43 43 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.2 2,-0.0 0, 0.0 -0.368 124.0 9.9 -57.8 122.3 5.1 26.9 93.1 44 44 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.625 90.7 169.4 83.5 14.8 6.2 27.6 89.5 45 45 A Y < + 0 0 67 -3,-2.3 -1,-0.2 -6,-0.1 -3,-0.1 -0.227 7.5 174.9 -62.2 148.6 7.6 24.1 88.9 46 46 A R - 0 0 130 5,-0.1 5,-0.1 -5,-0.1 -5,-0.1 -0.984 35.6 -95.9-153.8 141.9 8.6 23.1 85.5 47 47 A P > - 0 0 24 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.185 39.9-106.4 -59.0 155.1 10.3 19.9 84.2 48 48 A P G > S+ 0 0 27 0, 0.0 3,-0.9 0, 0.0 7,-0.2 0.830 119.3 55.8 -49.4 -40.2 14.1 20.0 83.6 49 49 A W G 3 S+ 0 0 203 1,-0.2 3,-0.1 6,-0.1 0, 0.0 0.381 106.4 51.2 -79.4 5.6 13.6 20.1 79.8 50 50 A E G < S+ 0 0 122 -3,-2.3 -1,-0.2 1,-0.2 2,-0.2 0.347 111.8 40.1-121.7 4.5 11.5 23.2 80.0 51 51 A S <> - 0 0 23 -3,-0.9 4,-2.3 -4,-0.4 -1,-0.2 -0.712 46.8-174.2-158.0 101.7 13.6 25.5 82.1 52 52 A D H > S+ 0 0 139 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.763 95.0 56.5 -64.6 -23.3 17.4 25.9 81.9 53 53 A E H > S+ 0 0 167 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.946 108.4 42.2 -71.6 -53.5 17.0 28.1 84.9 54 54 A L H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.878 115.8 51.5 -63.4 -35.9 15.3 25.6 87.1 55 55 A L H X S+ 0 0 44 -4,-2.3 4,-1.9 -7,-0.2 -1,-0.2 0.894 108.6 49.6 -67.9 -40.8 17.7 22.9 85.9 56 56 A A H X S+ 0 0 59 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.877 109.5 53.8 -65.9 -35.1 20.7 25.0 86.7 57 57 A L H X S+ 0 0 82 -4,-2.1 4,-2.9 2,-0.2 3,-0.3 0.952 105.7 52.5 -61.7 -50.4 19.2 25.6 90.2 58 58 A T H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.897 111.5 45.8 -52.5 -43.9 18.9 21.9 90.7 59 59 A W H X S+ 0 0 32 -4,-1.9 4,-2.4 2,-0.2 -1,-0.3 0.788 110.2 54.8 -72.0 -26.4 22.6 21.4 89.8 60 60 A K H X S+ 0 0 116 -4,-1.7 4,-2.5 -3,-0.3 -2,-0.2 0.946 111.5 43.9 -68.5 -48.9 23.5 24.3 92.1 61 61 A N H X S+ 0 0 59 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.901 114.4 49.9 -62.6 -42.5 21.7 22.7 95.0 62 62 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.945 111.8 49.0 -61.4 -47.4 23.2 19.3 94.2 63 63 A T H X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.900 110.8 48.1 -59.6 -47.6 26.7 20.8 94.0 64 64 A D H X S+ 0 0 49 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.846 113.3 48.5 -65.2 -33.7 26.5 22.7 97.3 65 65 A L H X S+ 0 0 64 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.904 110.7 51.5 -71.6 -39.7 25.2 19.6 99.0 66 66 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.926 109.2 49.6 -63.0 -45.7 28.0 17.4 97.5 67 67 A V H X S+ 0 0 5 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.956 111.5 48.6 -58.7 -50.5 30.7 19.8 98.6 68 68 A N H X S+ 0 0 103 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.916 112.1 48.6 -56.3 -46.6 29.4 19.9 102.2 69 69 A F H <>S+ 0 0 77 -4,-2.4 5,-2.6 2,-0.2 -1,-0.2 0.888 113.4 47.0 -62.9 -40.7 29.1 16.1 102.4 70 70 A L H ><5S+ 0 0 0 -4,-2.4 3,-2.0 3,-0.2 -2,-0.2 0.945 112.2 48.8 -66.4 -47.8 32.7 15.6 101.1 71 71 A L H 3<5S+ 0 0 99 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.814 105.0 60.8 -60.5 -30.1 34.2 18.2 103.4 72 72 A A T 3<5S- 0 0 58 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.270 126.4-103.7 -80.6 10.1 32.3 16.5 106.2 73 73 A Q T < 5S+ 0 0 137 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.736 79.5 133.0 74.3 26.1 34.4 13.4 105.4 74 74 A N < - 0 0 35 -5,-2.6 -45,-0.3 -6,-0.2 -1,-0.3 -0.861 56.8-127.7-109.3 141.6 31.5 11.6 103.6 75 75 A D E - c 0 29A 18 -47,-2.7 -45,-2.7 -2,-0.4 2,-0.5 -0.608 31.2-134.6 -78.8 149.1 31.8 9.8 100.3 76 76 A V E -bc 4 30A 0 -73,-2.6 -71,-3.1 -2,-0.2 2,-0.6 -0.945 18.7-168.8-117.7 129.0 29.1 11.1 97.9 77 77 A V E -bc 5 31A 0 -47,-3.3 -45,-3.0 -2,-0.5 2,-0.5 -0.934 12.2-166.7-113.3 108.9 26.8 9.0 95.7 78 78 A L E -bc 6 32A 1 -73,-2.8 -71,-2.3 -2,-0.6 2,-0.6 -0.851 7.9-169.6-104.3 127.5 24.8 11.0 93.2 79 79 A D E +bc 7 33A 10 -47,-2.9 -45,-3.1 -2,-0.5 -44,-0.4 -0.952 40.9 98.1-115.1 111.7 21.9 9.6 91.2 80 80 A Y S S- 0 0 12 -73,-1.3 2,-0.6 -2,-0.6 -71,-0.2 -0.955 77.9 -69.3-171.4-178.5 20.6 11.8 88.4 81 81 A I + 0 0 46 -2,-0.3 2,-0.4 -73,-0.2 -73,-0.1 -0.818 59.5 168.7 -89.9 121.6 20.8 12.4 84.7 82 82 A A - 0 0 1 -2,-0.6 -74,-0.1 -76,-0.1 -2,-0.1 -0.964 19.4-171.0-144.8 128.5 24.2 13.7 83.8 83 83 A F > - 0 0 15 -2,-0.4 4,-2.7 -75,-0.0 3,-0.4 -0.527 49.8 -86.7-104.1 172.7 26.2 14.3 80.6 84 84 A P H > S+ 0 0 42 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.868 126.3 55.4 -45.3 -45.7 29.9 15.2 80.2 85 85 A D H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.924 111.7 41.1 -56.1 -50.8 29.1 18.9 80.5 86 86 A E H > S+ 0 0 51 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.915 116.0 50.0 -66.7 -42.7 27.4 18.5 83.9 87 87 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.922 111.8 49.0 -61.2 -44.7 30.0 16.0 85.2 88 88 A E H X S+ 0 0 99 -4,-3.0 4,-2.3 -5,-0.3 -2,-0.2 0.934 112.1 48.2 -60.2 -47.8 32.8 18.4 84.2 89 89 A A H X S+ 0 0 52 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.938 112.2 47.7 -60.0 -49.9 31.2 21.4 85.8 90 90 A L H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.920 111.6 51.8 -57.1 -45.5 30.5 19.5 89.1 91 91 A A H X S+ 0 0 8 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.895 105.9 54.3 -58.6 -44.2 34.0 18.2 89.2 92 92 A Q H X S+ 0 0 121 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.906 112.2 44.0 -58.8 -43.0 35.5 21.7 88.7 93 93 A T H X S+ 0 0 47 -4,-1.9 4,-1.1 2,-0.2 3,-0.4 0.964 115.9 44.0 -68.1 -53.8 33.6 23.0 91.7 94 94 A V H >X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-1.1 0.940 113.5 51.9 -57.6 -47.0 34.2 20.2 94.1 95 95 A Q H 3< S+ 0 0 143 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.785 110.5 49.3 -60.1 -29.2 37.9 20.0 93.1 96 96 A A H 3< S+ 0 0 86 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.631 121.4 34.7 -85.5 -14.4 38.2 23.7 93.7 97 97 A K H << S+ 0 0 116 -3,-1.1 2,-0.3 -4,-1.1 -2,-0.2 0.567 121.1 40.2-113.9 -13.9 36.5 23.4 97.2 98 98 A V < - 0 0 5 -4,-2.9 3,-0.3 -5,-0.2 2,-0.2 -0.999 67.7-141.8-140.4 142.5 37.8 20.0 98.3 99 99 A D S S+ 0 0 121 -2,-0.3 -97,-0.3 1,-0.2 -3,-0.1 -0.650 76.7 22.0-101.0 157.0 41.1 18.1 98.2 100 100 A D S S+ 0 0 109 -2,-0.2 -98,-1.8 1,-0.2 2,-0.6 0.898 77.2 150.7 56.3 49.2 41.8 14.5 97.6 101 101 A V E -a 2 0A 26 -3,-0.3 2,-0.7 -100,-0.2 -98,-0.2 -0.931 32.3-160.4-116.0 110.5 38.5 13.7 95.9 102 102 A E E -a 3 0A 52 -100,-2.1 -98,-2.1 -2,-0.6 2,-0.4 -0.821 16.0-157.7 -89.9 114.2 38.5 10.9 93.3 103 103 A I E -a 4 0A 12 -2,-0.7 2,-0.4 68,-0.3 -98,-0.2 -0.770 4.4-159.4 -96.3 138.5 35.5 11.4 91.2 104 104 A R E -a 5 0A 11 -100,-3.0 -98,-3.2 -2,-0.4 2,-0.6 -0.970 4.8-157.9-121.5 132.9 33.9 8.5 89.2 105 105 A F E +a 6 0A 2 65,-2.0 2,-0.4 -2,-0.4 67,-0.3 -0.942 18.2 176.6-109.3 122.2 31.6 8.9 86.2 106 106 A I E -a 7 0A 0 -100,-2.8 -98,-3.2 -2,-0.6 2,-0.7 -0.974 16.6-167.5-135.4 120.9 29.5 5.8 85.5 107 107 A I E -ad 8 146A 0 38,-3.0 40,-2.7 -2,-0.4 2,-0.4 -0.899 17.3-148.1-107.9 105.0 26.8 5.4 82.9 108 108 A L E + d 0 147A 2 -100,-2.4 2,-0.3 -2,-0.7 40,-0.2 -0.600 25.2 173.0 -75.9 128.8 24.7 2.4 83.5 109 109 A W E + d 0 148A 40 38,-1.9 40,-3.1 -2,-0.4 41,-0.3 -0.959 16.0 158.5-134.8 152.7 23.4 0.8 80.2 110 110 A T - 0 0 5 -2,-0.3 40,-0.3 38,-0.2 2,-0.3 0.426 54.1 -50.6-134.4 -80.1 21.6 -2.4 79.4 111 111 A N > - 0 0 57 1,-0.1 4,-2.3 38,-0.1 5,-0.3 -0.927 33.7-118.7-171.2 144.8 19.6 -2.8 76.1 112 112 A R H > S+ 0 0 115 -2,-0.3 4,-0.6 1,-0.2 -1,-0.1 0.904 118.3 43.5 -55.6 -44.8 17.0 -1.0 74.1 113 113 A E H > S+ 0 0 132 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.816 109.0 58.4 -71.9 -30.6 14.6 -3.9 74.5 114 114 A E H >> S+ 0 0 77 1,-0.2 4,-2.9 2,-0.2 3,-1.2 0.957 104.7 48.4 -62.8 -50.4 15.4 -4.4 78.2 115 115 A L H 3X S+ 0 0 8 -4,-2.3 4,-0.8 1,-0.3 -1,-0.2 0.729 102.8 68.6 -61.7 -19.9 14.3 -0.8 79.0 116 116 A L H 3< S+ 0 0 63 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.861 112.7 26.0 -66.3 -38.3 11.2 -1.7 77.0 117 117 A R H X< S+ 0 0 154 -3,-1.2 3,-1.4 -4,-1.0 -2,-0.2 0.808 107.9 73.1 -95.0 -35.3 10.0 -4.2 79.6 118 118 A R H 3< S+ 0 0 107 -4,-2.9 3,-0.3 1,-0.3 -3,-0.2 0.759 107.4 37.8 -50.7 -28.2 11.7 -2.7 82.7 119 119 A D T >< S+ 0 0 21 -4,-0.8 3,-1.7 -5,-0.2 4,-0.4 0.523 86.6 93.8-103.5 -6.9 9.2 0.1 82.6 120 120 A A T < S+ 0 0 52 -3,-1.4 -1,-0.2 1,-0.3 4,-0.1 0.431 90.0 52.0 -64.9 5.6 6.1 -1.9 81.5 121 121 A L T 3 S+ 0 0 145 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 -0.074 78.6 97.8-132.3 34.0 5.5 -2.2 85.3 122 122 A R S < S- 0 0 150 -3,-1.7 -2,-0.1 2,-0.1 -3,-0.0 0.918 109.2 -37.3 -86.7 -52.5 5.6 1.5 86.4 123 123 A K 0 0 161 -4,-0.4 -2,-0.1 1,-0.1 -3,-0.0 -0.188 360.0 360.0-175.0 67.0 1.9 2.4 86.5 124 124 A K 0 0 229 -4,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.809 360.0 360.0-172.3 360.0 -0.1 0.8 83.7 125 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 126 129 A G > 0 0 36 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-112.2 7.1 3.9 77.2 127 130 A E G > + 0 0 158 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.836 360.0 71.9 -51.9 -35.6 8.7 5.0 73.9 128 131 A R G >> S+ 0 0 98 1,-0.3 3,-1.2 2,-0.2 4,-0.8 0.707 77.0 77.3 -54.5 -24.5 10.1 8.0 76.0 129 132 A C G <4 S+ 0 0 7 -3,-2.4 -1,-0.3 1,-0.3 4,-0.3 0.614 93.6 53.5 -64.3 -8.7 12.5 5.6 77.7 130 133 A L G <> S+ 0 0 67 -3,-2.3 4,-2.2 -4,-0.2 5,-0.3 0.655 88.8 76.0 -97.4 -21.0 14.4 5.8 74.4 131 134 A E H <> S+ 0 0 104 -3,-1.2 4,-0.8 -4,-0.4 -2,-0.2 0.918 101.0 41.6 -57.2 -46.3 14.7 9.6 74.4 132 135 A L H X S+ 0 0 28 -4,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.798 109.5 62.5 -71.6 -28.3 17.4 9.6 77.0 133 136 A V H > S+ 0 0 3 -4,-0.3 4,-1.5 1,-0.2 3,-0.2 0.967 105.1 42.6 -61.1 -55.8 19.0 6.6 75.4 134 137 A E H X S+ 0 0 122 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.697 108.2 63.6 -65.3 -19.6 19.8 8.4 72.1 135 138 A E H X S+ 0 0 77 -4,-0.8 4,-1.4 -5,-0.3 -1,-0.2 0.949 103.0 45.8 -69.7 -48.0 20.9 11.4 74.1 136 139 A F H <>S+ 0 0 0 -4,-1.7 5,-0.7 -3,-0.2 -2,-0.2 0.881 114.8 49.5 -60.7 -39.7 23.8 9.6 75.8 137 140 A E H ><5S+ 0 0 91 -4,-1.5 3,-1.9 1,-0.2 4,-0.3 0.964 109.9 47.9 -64.7 -54.4 24.9 8.1 72.5 138 141 A S H 3<5S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.738 96.7 74.0 -60.3 -24.4 24.9 11.3 70.5 139 142 A K T 3<5S- 0 0 92 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.517 101.5-132.0 -69.2 -1.7 26.9 13.0 73.2 140 143 A G T < 5 - 0 0 68 -3,-1.9 2,-0.2 1,-0.2 -3,-0.1 0.930 37.1-177.2 49.4 54.9 29.9 11.1 72.0 141 144 A I < - 0 0 17 -5,-0.7 -1,-0.2 -4,-0.3 5,-0.1 -0.577 33.5 -95.9 -84.8 144.6 30.8 9.9 75.5 142 145 A D > - 0 0 76 -2,-0.2 3,-0.9 1,-0.1 4,-0.3 -0.236 28.5-128.6 -56.2 147.6 34.0 7.8 76.0 143 146 A E T 3 S+ 0 0 136 1,-0.2 3,-0.3 2,-0.2 -1,-0.1 0.582 99.5 72.7 -77.4 -9.5 33.3 4.1 76.2 144 147 A R T 3 S+ 0 0 92 1,-0.2 -1,-0.2 25,-0.1 28,-0.1 0.662 92.8 55.7 -78.1 -18.1 35.1 3.6 79.5 145 148 A Y S < S+ 0 0 23 -3,-0.9 -38,-3.0 -39,-0.1 2,-0.2 0.657 88.5 92.5 -88.3 -18.5 32.4 5.3 81.5 146 149 A F E -d 107 0A 23 -4,-0.3 2,-0.4 -3,-0.3 -38,-0.2 -0.543 54.3-168.9 -79.2 143.1 29.6 3.0 80.2 147 150 A Y E -d 108 0A 33 -40,-2.7 -38,-1.9 -2,-0.2 2,-0.5 -0.829 8.7-158.1-133.9 92.1 28.8 -0.1 82.3 148 151 A N E +d 109 0A 79 -2,-0.4 -38,-0.2 -40,-0.2 3,-0.2 -0.604 17.9 171.9 -76.0 117.9 26.5 -2.4 80.4 149 152 A T + 0 0 18 -40,-3.1 3,-0.4 -2,-0.5 -39,-0.2 -0.005 44.4 111.1-115.4 29.5 24.6 -4.7 82.8 150 153 A S S S+ 0 0 37 -40,-0.3 -1,-0.1 -41,-0.3 -40,-0.1 0.746 85.3 42.6 -73.6 -23.2 22.3 -6.3 80.3 151 154 A H S S+ 0 0 177 -3,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.455 100.1 91.8-100.7 -3.0 24.1 -9.6 80.7 152 155 A L S S- 0 0 68 -3,-0.4 -3,-0.1 1,-0.0 5,-0.0 -0.424 72.1-123.0 -89.1 167.6 24.4 -9.4 84.5 153 156 A Q > - 0 0 116 -2,-0.1 3,-2.0 1,-0.1 -2,-0.1 -0.876 12.2-132.0-110.5 141.8 22.0 -10.8 87.1 154 157 A P G > S+ 0 0 107 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.746 107.0 70.4 -62.6 -21.4 20.4 -8.7 89.9 155 158 A T G 3 S+ 0 0 115 1,-0.3 3,-0.1 2,-0.1 4,-0.0 0.431 94.8 55.8 -75.4 2.5 21.5 -11.4 92.3 156 159 A N G X> + 0 0 58 -3,-2.0 4,-2.0 1,-0.1 3,-1.3 0.123 69.1 122.2-118.2 16.0 25.0 -10.1 91.6 157 160 A L H <> S+ 0 0 37 -3,-1.6 4,-2.2 1,-0.3 5,-0.2 0.846 71.3 54.4 -47.6 -43.8 24.2 -6.6 92.7 158 161 A N H 3> S+ 0 0 79 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.810 107.5 50.2 -65.4 -28.8 26.9 -6.5 95.4 159 162 A D H <> S+ 0 0 113 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.921 109.1 52.0 -73.4 -43.4 29.6 -7.6 92.9 160 163 A I H X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.939 112.8 43.2 -55.8 -52.5 28.6 -4.8 90.4 161 164 A V H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.760 111.7 56.8 -67.0 -23.4 28.8 -2.1 93.1 162 165 A K H X S+ 0 0 119 -4,-0.9 4,-0.7 -5,-0.2 -1,-0.2 0.853 109.7 46.0 -74.2 -35.7 32.0 -3.7 94.3 163 166 A N H >X S+ 0 0 52 -4,-2.1 4,-3.9 1,-0.2 3,-1.6 0.983 111.6 45.9 -70.9 -60.1 33.5 -3.3 90.8 164 167 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.599 106.7 65.0 -61.5 -8.9 32.5 0.3 90.0 165 168 A K H 34 S+ 0 0 27 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.808 123.0 11.7 -83.3 -29.9 33.7 1.2 93.5 166 169 A T H << S+ 0 0 98 -3,-1.6 -2,-0.2 -4,-0.7 -3,-0.1 0.606 93.0 116.0-120.3 -22.0 37.3 0.3 92.7 167 170 A N >< - 0 0 35 -4,-3.9 3,-0.8 -5,-0.2 4,-0.1 -0.307 54.3-151.4 -54.6 124.7 37.5 -0.2 88.9 168 171 A P G > S+ 0 0 84 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.674 82.1 82.2 -74.3 -17.8 39.8 2.6 87.6 169 172 A R G 3 S+ 0 0 92 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.806 95.9 45.1 -57.9 -30.0 38.1 2.8 84.2 170 173 A F G < S+ 0 0 0 -3,-0.8 -65,-2.0 1,-0.2 -1,-0.3 0.506 77.0 111.3 -91.4 -4.3 35.5 5.1 85.7 171 174 A I S < S- 0 0 64 -3,-1.6 -68,-0.3 -67,-0.2 -1,-0.2 0.392 96.1-109.1 -53.5 8.5 38.1 7.1 87.6 172 175 A F 0 0 46 -67,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.981 360.0 360.0 58.3 63.0 37.1 9.9 85.2 173 176 A C 0 0 95 -4,-0.4 -3,-0.1 -5,-0.1 -4,-0.0 0.948 360.0 360.0 -45.0 360.0 40.3 9.9 83.1