==== 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 TRANSFERASE 05-SEP-01 1JWX . COMPND 2 MOLECULE: CHALCONE SYNTHASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR J.M.JEZ,M.E.BOWMAN,J.P.NOEL . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 13.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 1 0 0 2 2 1 1 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 1 0 1 0 1 2 1 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 . 2 0 0 0 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 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 2 A V 0 0 175 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.1 56.4 71.2 79.6 2 3 A S > - 0 0 45 1,-0.2 4,-2.2 2,-0.0 5,-0.1 -0.839 360.0-170.7 -97.9 113.6 54.1 73.7 77.9 3 4 A V H > S+ 0 0 110 -2,-0.7 4,-3.1 2,-0.2 5,-0.2 0.861 89.3 57.6 -68.2 -35.8 50.7 72.3 76.9 4 5 A S H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 108.9 46.0 -57.7 -43.6 50.0 75.5 74.9 5 6 A E H > S+ 0 0 144 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.918 113.1 49.8 -67.8 -38.2 53.2 75.0 72.9 6 7 A I H X S+ 0 0 76 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.927 111.9 48.0 -64.2 -46.4 52.3 71.3 72.4 7 8 A R H X S+ 0 0 64 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.901 111.3 50.1 -62.6 -43.0 48.7 72.2 71.2 8 9 A K H < S+ 0 0 161 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.896 114.8 43.6 -60.3 -42.1 50.0 74.9 68.8 9 10 A A H < S+ 0 0 64 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.681 111.9 55.8 -76.3 -20.0 52.5 72.5 67.3 10 11 A Q H < S+ 0 0 91 -4,-1.4 171,-2.6 -5,-0.2 -1,-0.2 0.697 92.4 79.3 -87.2 -25.4 50.1 69.6 67.1 11 12 A R S < S- 0 0 123 -4,-1.1 169,-0.2 -3,-0.3 168,-0.2 -0.547 72.3-120.7 -94.9 158.7 47.2 71.1 65.1 12 13 A A - 0 0 14 166,-0.8 169,-0.1 -2,-0.2 -1,-0.1 -0.259 13.7-145.3 -83.5 173.6 46.6 71.7 61.4 13 14 A E + 0 0 174 167,-0.1 -1,-0.1 2,-0.1 165,-0.1 0.829 65.1 47.2-112.5 -44.8 45.9 75.1 59.9 14 15 A G S S- 0 0 20 1,-0.2 3,-0.1 3,-0.0 -2,-0.1 -0.320 90.9 -66.6 -98.2-177.2 43.5 75.0 57.0 15 16 A P - 0 0 49 0, 0.0 211,-0.4 0, 0.0 -1,-0.2 -0.321 56.8 -98.2 -67.0 142.5 40.1 73.4 56.1 16 17 A A - 0 0 0 222,-0.2 222,-2.9 209,-0.2 2,-0.4 -0.409 48.5-160.9 -59.7 130.4 39.8 69.6 55.8 17 18 A T E -AB 224 237A 2 207,-2.6 207,-2.5 220,-0.2 2,-0.5 -0.964 21.7-127.5-124.2 139.3 40.0 68.8 52.1 18 19 A I E +AB 223 236A 0 218,-3.0 217,-2.3 -2,-0.4 218,-1.1 -0.753 30.8 174.7 -81.2 122.5 39.0 65.7 50.1 19 20 A L E + 0 0 2 203,-3.3 214,-0.4 -2,-0.5 2,-0.3 0.450 60.6 9.8-109.0 -10.3 42.2 64.8 48.1 20 21 A A E -A 222 0A 0 202,-0.8 202,-1.6 212,-0.1 2,-0.4 -0.939 55.5-164.5-164.2 149.4 41.1 61.5 46.4 21 22 A I E +A 221 0A 3 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.989 12.6 172.5-141.2 129.7 37.9 59.5 45.8 22 23 A G E -A 220 0A 5 198,-2.3 198,-3.0 -2,-0.4 2,-0.3 -0.979 8.8-165.5-139.4 143.2 37.7 55.9 44.7 23 24 A T E -A 219 0A 21 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.900 6.3-178.0-128.7 162.8 34.7 53.5 44.4 24 25 A A E -A 218 0A 1 194,-2.3 194,-2.7 -2,-0.3 80,-0.1 -0.980 2.5-171.2-153.6 154.0 34.1 49.7 44.0 25 26 A N - 0 0 33 -2,-0.3 192,-0.1 192,-0.2 44,-0.1 -0.982 38.0 -88.0-144.2 155.6 31.1 47.4 43.6 26 27 A P - 0 0 5 0, 0.0 44,-0.1 0, 0.0 43,-0.1 -0.264 41.1-119.6 -56.1 150.8 30.5 43.6 43.6 27 28 A A S S+ 0 0 104 41,-0.1 2,-0.7 43,-0.1 43,-0.1 0.794 87.1 96.1 -63.3 -33.8 30.8 42.2 40.1 28 29 A N - 0 0 56 41,-0.3 41,-2.6 1,-0.0 2,-0.6 -0.483 60.3-162.5 -68.7 107.9 27.3 40.8 39.9 29 30 A C E -I 68 0B 52 -2,-0.7 2,-0.6 39,-0.2 39,-0.2 -0.808 0.6-161.0 -98.2 120.2 25.1 43.4 38.1 30 31 A V E -I 67 0B 18 37,-3.5 37,-1.7 -2,-0.6 2,-0.2 -0.907 12.9-137.2-106.7 114.7 21.4 43.0 38.6 31 32 A E E -I 66 0B 125 -2,-0.6 35,-0.3 35,-0.2 3,-0.2 -0.466 4.3-146.7 -70.7 139.2 19.1 44.7 36.0 32 33 A Q S > S+ 0 0 7 33,-2.7 3,-1.4 1,-0.2 34,-0.1 0.865 92.3 65.3 -75.0 -34.3 16.1 46.4 37.5 33 34 A S T 3 S+ 0 0 80 32,-0.5 -1,-0.2 1,-0.3 4,-0.2 0.849 112.3 33.3 -56.7 -39.3 13.7 45.7 34.6 34 35 A T T 3> S+ 0 0 71 -3,-0.2 4,-1.8 1,-0.1 -1,-0.3 0.277 92.1 99.6 -98.4 8.5 13.8 42.0 35.3 35 36 A Y H <> S+ 0 0 1 -3,-1.4 4,-3.6 2,-0.2 5,-0.3 0.905 73.8 58.3 -67.1 -41.4 14.2 42.1 39.1 36 37 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.943 110.7 44.3 -51.8 -51.1 10.5 41.5 40.0 37 38 A D H > S+ 0 0 88 -4,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.927 117.2 45.1 -59.6 -46.3 10.6 38.1 38.2 38 39 A F H X S+ 0 0 51 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.938 114.5 47.0 -63.1 -48.8 14.0 37.2 39.6 39 40 A Y H X S+ 0 0 0 -4,-3.6 4,-1.6 1,-0.2 -2,-0.2 0.920 113.4 46.9 -67.2 -40.8 13.2 38.2 43.2 40 41 A F H <>S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.3 6,-0.4 0.787 114.7 48.6 -70.9 -26.3 9.8 36.5 43.4 41 42 A K H ><5S+ 0 0 101 -4,-1.5 3,-1.5 -5,-0.2 -2,-0.2 0.923 111.9 47.0 -75.3 -45.6 11.3 33.3 41.8 42 43 A I H 3<5S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.785 115.2 46.0 -68.4 -26.0 14.3 33.1 44.2 43 44 A T T 3<5S- 0 0 10 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.182 111.2-119.3 -99.4 10.6 12.2 33.7 47.3 44 45 A N T < 5S+ 0 0 135 -3,-1.5 -3,-0.2 1,-0.1 3,-0.2 0.873 76.3 123.6 55.9 43.6 9.5 31.2 46.2 45 46 A S > < + 0 0 5 -5,-2.8 3,-1.2 -6,-0.1 7,-0.2 0.080 18.5 121.4-123.0 28.4 6.7 33.7 46.1 46 47 A E T 3 S+ 0 0 113 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.760 72.2 60.7 -63.8 -25.6 5.4 33.4 42.5 47 48 A H T 3 S+ 0 0 142 1,-0.2 2,-2.3 -3,-0.2 -1,-0.3 0.729 80.8 87.8 -72.5 -23.7 1.9 32.6 43.7 48 49 A K <> + 0 0 72 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 -0.434 55.8 164.6 -79.1 78.3 1.6 35.9 45.5 49 50 A T H > + 0 0 80 -2,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.891 67.6 46.9 -66.3 -48.1 0.3 37.7 42.4 50 51 A E H > S+ 0 0 144 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.940 114.8 48.4 -65.9 -40.0 -1.1 40.9 44.0 51 52 A L H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.925 109.3 51.9 -63.8 -44.3 2.1 41.4 46.0 52 53 A K H X S+ 0 0 42 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.908 107.2 54.2 -59.6 -39.0 4.3 40.8 42.9 53 54 A E H X S+ 0 0 124 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.908 108.3 49.2 -62.7 -37.6 2.3 43.4 41.0 54 55 A K H X S+ 0 0 100 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.922 111.0 49.3 -66.3 -41.3 3.0 45.9 43.8 55 56 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.878 107.4 55.1 -66.4 -39.0 6.7 45.1 43.7 56 57 A Q H X S+ 0 0 59 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.930 108.8 47.9 -58.3 -42.8 6.7 45.6 39.9 57 58 A R H X S+ 0 0 158 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.921 110.5 52.6 -67.5 -39.2 5.2 49.1 40.4 58 59 A M H X S+ 0 0 41 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.916 112.1 44.3 -58.0 -48.9 7.9 49.8 43.1 59 60 A C H >< S+ 0 0 4 -4,-2.7 3,-0.7 1,-0.2 5,-0.4 0.920 112.0 53.6 -64.3 -38.7 10.7 48.8 40.7 60 61 A D H 3< S+ 0 0 107 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.835 114.7 40.3 -66.6 -30.5 9.2 50.7 37.8 61 62 A K H 3< S+ 0 0 112 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.540 93.0 89.0 -91.7 -9.8 9.0 53.9 39.9 62 63 A S S << S- 0 0 3 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.1 0.693 81.2-141.6 -60.3 -31.2 12.4 53.4 41.5 63 64 A M + 0 0 115 -4,-0.4 2,-0.5 -3,-0.4 271,-0.1 0.800 59.1 129.8 66.5 26.4 14.3 55.3 38.8 64 65 A I - 0 0 9 -5,-0.4 -1,-0.2 1,-0.1 267,-0.2 -0.971 38.5-174.9-107.1 127.2 17.1 52.6 39.3 65 66 A K - 0 0 107 266,-2.9 -33,-2.7 -2,-0.5 -32,-0.5 0.804 69.3 -13.0 -88.5 -37.5 18.4 51.0 36.1 66 67 A R E -I 31 0B 58 265,-1.7 -1,-0.3 -35,-0.3 2,-0.3 -0.982 54.5-156.4-162.4 156.7 20.7 48.5 37.8 67 68 A R E -I 30 0B 2 -37,-1.7 -37,-3.5 -2,-0.3 2,-0.5 -0.946 21.7-124.5-132.9 159.8 22.4 47.6 41.1 68 69 A Y E -I 29 0B 50 265,-0.5 148,-2.4 148,-0.4 2,-0.4 -0.910 31.4-170.2-110.0 123.0 25.5 45.6 42.0 69 70 A M - 0 0 7 -41,-2.6 -41,-0.3 -2,-0.5 123,-0.1 -0.985 31.1-158.4-125.5 130.7 24.8 42.7 44.5 70 71 A Y S S+ 0 0 57 -2,-0.4 2,-0.3 -43,-0.1 5,-0.1 0.913 83.2 83.6 -61.5 -43.4 27.2 40.4 46.4 71 72 A L - 0 0 5 -3,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.471 64.0-179.5 -67.1 132.7 24.2 38.0 46.6 72 73 A T > - 0 0 39 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.772 44.4-100.1-120.0 174.0 23.9 35.9 43.5 73 74 A E H > S+ 0 0 113 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.892 123.5 52.5 -62.2 -41.5 21.4 33.2 42.6 74 75 A E H > S+ 0 0 126 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.922 110.5 46.0 -62.1 -45.7 23.9 30.5 43.6 75 76 A I H >4 S+ 0 0 35 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.918 112.9 50.1 -64.6 -43.4 24.5 32.0 47.0 76 77 A L H >< S+ 0 0 4 -4,-2.6 3,-1.2 1,-0.2 7,-0.3 0.884 104.6 58.7 -65.3 -33.1 20.7 32.5 47.6 77 78 A K H 3< S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.787 106.6 48.0 -62.3 -31.5 20.2 28.8 46.5 78 79 A E T << S+ 0 0 112 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.493 112.5 53.5 -85.2 -7.6 22.5 27.7 49.4 79 80 A N X> + 0 0 30 -3,-1.2 4,-1.4 -4,-0.5 3,-0.9 -0.471 53.5 160.1-130.0 71.8 20.7 30.0 51.9 80 81 A P H 3> S+ 0 0 83 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.851 77.8 61.6 -60.3 -31.6 16.9 29.4 51.9 81 82 A N H 34 S+ 0 0 74 1,-0.2 3,-0.5 2,-0.2 6,-0.4 0.890 102.3 51.5 -68.2 -28.8 16.6 31.0 55.4 82 83 A V H <4 S+ 0 0 0 -3,-0.9 117,-0.2 1,-0.2 -1,-0.2 0.841 107.8 53.9 -72.7 -27.6 17.9 34.2 53.8 83 84 A C H < S+ 0 0 11 -4,-1.4 -1,-0.2 -7,-0.3 -2,-0.2 0.677 92.7 87.6 -77.7 -18.3 15.2 33.9 51.1 84 85 A E S < S- 0 0 101 -4,-1.0 115,-1.1 -3,-0.5 3,-0.4 -0.466 86.7-120.9 -75.7 158.1 12.4 33.6 53.6 85 86 A Y S S+ 0 0 43 113,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.933 101.6 7.8 -61.2 -48.7 10.7 36.8 54.9 86 87 A M S S+ 0 0 82 112,-0.1 -1,-0.2 2,-0.0 -4,-0.1 -0.706 84.4 131.5-143.1 91.7 11.7 35.8 58.5 87 88 A A - 0 0 5 -6,-0.4 2,-0.1 -3,-0.4 3,-0.0 -0.985 65.8 -86.2-137.6 148.8 13.9 32.9 59.3 88 89 A P S S+ 0 0 95 0, 0.0 172,-0.3 0, 0.0 171,-0.1 -0.304 72.2 130.4 -55.1 118.8 17.0 32.5 61.5 89 90 A S > + 0 0 8 170,-2.7 4,-2.3 -2,-0.1 171,-0.2 0.403 21.9 110.4-160.3 3.9 19.8 33.6 59.3 90 91 A L H > S+ 0 0 35 169,-2.8 4,-3.3 1,-0.2 5,-0.3 0.883 81.3 54.7 -62.0 -39.5 22.1 36.1 61.0 91 92 A D H > S+ 0 0 126 168,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.931 111.4 45.2 -58.1 -46.8 25.0 33.7 61.3 92 93 A A H > S+ 0 0 29 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.885 115.2 47.3 -61.6 -42.9 24.9 33.1 57.6 93 94 A R H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.893 111.4 50.5 -64.9 -43.0 24.6 36.8 56.8 94 95 A Q H X S+ 0 0 36 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.932 105.7 56.1 -63.1 -43.2 27.4 37.8 59.2 95 96 A D H X S+ 0 0 124 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.2 0.873 112.0 44.8 -57.9 -34.8 29.7 35.2 57.6 96 97 A M H >X S+ 0 0 13 -4,-1.3 4,-2.5 -3,-0.2 3,-0.6 0.958 119.4 37.7 -70.3 -54.9 29.1 36.8 54.2 97 98 A V H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.756 103.1 66.1 -79.3 -23.1 29.4 40.4 55.2 98 99 A V H 3< S+ 0 0 37 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.1 0.827 117.8 31.0 -64.6 -25.3 32.3 40.2 57.8 99 100 A V H S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.855 116.3 56.7 -65.9 -33.1 36.5 44.7 54.0 103 104 A R H X S+ 0 0 86 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.946 114.2 37.4 -61.7 -49.6 37.0 43.0 50.7 104 105 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.918 114.9 55.2 -69.7 -38.5 35.0 45.6 48.8 105 106 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.4 -1,-0.2 0.887 103.8 56.5 -62.1 -36.6 36.3 48.4 50.9 106 107 A K H X S+ 0 0 77 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.907 103.7 53.1 -62.6 -41.3 39.8 47.4 50.1 107 108 A E H X S+ 0 0 74 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.954 113.1 42.9 -60.4 -48.7 39.1 47.8 46.3 108 109 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 112,-0.2 0.895 113.8 51.8 -60.2 -46.6 37.8 51.3 46.8 109 110 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.922 106.8 52.7 -60.1 -42.3 40.6 52.3 49.2 110 111 A V H X S+ 0 0 70 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.900 109.3 50.5 -59.8 -41.6 43.3 51.1 46.8 111 112 A K H X S+ 0 0 107 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.911 112.1 46.7 -62.2 -43.5 41.8 53.2 44.0 112 113 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.925 111.6 50.2 -66.6 -40.2 41.7 56.3 46.3 113 114 A I H X S+ 0 0 24 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.934 109.4 52.1 -66.9 -36.8 45.3 55.7 47.5 114 115 A K H < S+ 0 0 178 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.917 111.0 47.3 -63.2 -44.5 46.5 55.4 43.9 115 116 A E H < S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.925 110.4 52.0 -61.1 -48.9 44.8 58.7 43.0 116 117 A W H < S- 0 0 10 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.929 92.5-156.5 -53.5 -48.1 46.3 60.4 46.0 117 118 A G < + 0 0 53 -4,-2.6 -3,-0.1 1,-0.3 -1,-0.1 0.422 48.2 115.0 88.2 -0.5 49.7 59.2 45.0 118 119 A Q S S- 0 0 52 -5,-0.4 -1,-0.3 1,-0.1 2,-0.1 -0.649 77.6 -80.5-103.4 159.7 51.4 59.4 48.4 119 120 A P > - 0 0 72 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.379 30.7-132.2 -56.0 139.2 52.7 56.5 50.5 120 121 A K G > S+ 0 0 85 1,-0.3 3,-1.7 2,-0.2 30,-0.4 0.724 104.5 73.9 -67.9 -15.3 50.1 54.5 52.4 121 122 A S G 3 S+ 0 0 51 1,-0.3 -1,-0.3 28,-0.1 28,-0.0 0.611 85.7 64.5 -68.7 -13.1 52.4 54.9 55.4 122 123 A K G < S+ 0 0 136 -3,-2.3 2,-0.6 61,-0.0 62,-0.3 0.502 74.3 108.2 -91.1 -1.5 51.4 58.6 55.6 123 124 A I < + 0 0 3 -3,-1.7 27,-0.3 -4,-0.2 62,-0.2 -0.643 40.9 171.4 -79.1 117.8 47.8 57.5 56.4 124 125 A T + 0 0 46 60,-2.1 30,-2.6 -2,-0.6 2,-0.3 0.663 58.8 34.7-102.1 -24.1 47.4 58.5 60.1 125 126 A H E -cd 154 185A 7 59,-1.7 61,-2.8 28,-0.2 2,-0.4 -0.986 60.3-162.9-136.3 145.2 43.7 57.9 60.6 126 127 A L E -cd 155 186A 0 28,-2.7 30,-2.4 -2,-0.3 2,-0.5 -0.991 2.5-171.7-133.6 124.4 41.1 55.4 59.3 127 128 A I E -cd 156 187A 0 59,-2.6 61,-2.6 -2,-0.4 2,-0.4 -0.966 8.7-175.5-110.8 123.1 37.4 55.8 59.4 128 129 A V E -cd 157 188A 0 28,-2.4 30,-3.3 -2,-0.5 2,-0.4 -0.982 3.4-173.0-118.7 136.6 35.4 52.7 58.3 129 130 A C E +cd 158 189A 0 59,-2.6 61,-2.5 -2,-0.4 2,-0.3 -0.993 14.7 146.1-134.8 127.4 31.6 52.7 58.1 130 131 A T E -c 159 0A 1 28,-2.0 30,-1.5 -2,-0.4 31,-0.3 -0.970 35.7-163.4-153.0 149.7 29.1 50.0 57.4 131 132 A T S S+ 0 0 9 -2,-0.3 2,-0.9 28,-0.2 60,-0.1 0.185 74.1 98.6-108.0 10.7 25.6 49.0 58.4 132 133 A S S S- 0 0 7 58,-0.4 -31,-0.2 1,-0.1 -1,-0.1 -0.734 94.6 -47.0-104.0 90.4 26.4 45.5 57.1 133 134 A G - 0 0 2 -2,-0.9 2,-0.3 -32,-0.0 27,-0.3 0.040 55.4-120.4 77.5 168.6 27.2 43.3 60.1 134 135 A V + 0 0 50 25,-0.1 2,-0.3 -3,-0.1 -36,-0.1 -0.987 29.1 165.2-141.3 155.9 29.5 43.7 63.1 135 136 A D - 0 0 70 -2,-0.3 4,-0.2 -37,-0.0 0, 0.0 -0.980 35.3 -92.6-163.4 162.6 32.6 41.8 64.4 136 137 A M S S+ 0 0 171 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.990 115.8 29.6-126.1 129.4 35.5 42.1 66.8 137 138 A P S S- 0 0 71 0, 0.0 -1,-0.0 0, 0.0 5,-0.0 0.660 112.5-136.1 -47.3 152.4 38.2 43.2 65.8 138 139 A G >> - 0 0 8 -2,-0.2 4,-2.1 1,-0.1 3,-0.7 -0.067 25.2 -81.7 -84.5-173.0 36.1 45.2 63.3 139 140 A A H 3> S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.760 125.8 64.1 -63.3 -23.5 36.2 45.9 59.6 140 141 A D H 3> S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 104.1 45.4 -63.9 -42.7 38.7 48.7 60.5 141 142 A Y H <> S+ 0 0 100 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.927 112.4 52.3 -65.9 -45.1 41.2 46.1 61.7 142 143 A Q H X S+ 0 0 49 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.923 111.3 45.8 -60.1 -42.8 40.6 44.0 58.7 143 144 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 6,-0.3 0.863 108.4 56.3 -71.0 -30.1 41.2 46.9 56.3 144 145 A T H X>S+ 0 0 16 -4,-2.0 5,-2.0 2,-0.2 4,-0.9 0.945 114.4 40.8 -60.5 -44.4 44.4 47.9 58.2 145 146 A K H ><5S+ 0 0 143 -4,-2.4 3,-0.6 3,-0.2 -2,-0.2 0.957 115.3 49.7 -68.3 -51.2 45.7 44.3 57.7 146 147 A L H 3<5S+ 0 0 70 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.851 118.9 37.2 -57.7 -43.3 44.4 44.0 54.1 147 148 A L H 3<5S- 0 0 18 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.561 106.2-122.6 -83.5 -13.0 45.9 47.3 52.9 148 149 A G T <<5 + 0 0 30 -4,-0.9 -3,-0.2 -3,-0.6 -4,-0.1 0.911 47.3 171.5 70.4 36.9 49.1 47.1 55.0 149 150 A L < - 0 0 8 -5,-2.0 -28,-0.1 -6,-0.3 -1,-0.1 -0.382 47.0 -79.8 -69.5 163.2 48.5 50.4 56.8 150 151 A R > - 0 0 90 -30,-0.4 3,-1.9 -27,-0.3 -1,-0.1 -0.379 37.8-124.1 -60.8 147.1 50.8 51.2 59.8 151 152 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.747 109.9 59.5 -66.2 -20.7 49.7 49.4 62.9 152 153 A Y T 3 S+ 0 0 164 2,-0.1 2,-0.1 -27,-0.0 -2,-0.1 0.161 70.7 134.5 -94.9 14.9 49.4 52.7 64.7 153 154 A V < - 0 0 7 -3,-1.9 2,-0.7 1,-0.1 -28,-0.2 -0.449 63.1-119.7 -61.3 136.4 46.8 54.1 62.3 154 155 A K E -c 125 0A 116 -30,-2.6 -28,-2.7 -2,-0.1 2,-0.3 -0.762 36.1-151.2 -87.3 113.4 44.1 55.7 64.6 155 156 A R E -c 126 0A 109 -2,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.643 23.9-173.0-101.4 144.3 40.9 53.9 63.8 156 157 A Y E -c 127 0A 67 -30,-2.4 -28,-2.4 -2,-0.3 2,-0.8 -0.953 12.3-164.7-130.9 102.9 37.2 55.0 64.0 157 158 A M E -c 128 0A 45 -2,-0.4 2,-0.9 -30,-0.2 -28,-0.2 -0.853 3.1-169.1-101.3 108.5 34.8 52.0 63.4 158 159 A M E +c 129 0A 45 -30,-3.3 -28,-2.0 -2,-0.8 2,-0.3 -0.803 13.3 178.0-101.7 97.6 31.3 53.3 62.6 159 160 A Y E +c 130 0A 52 -2,-0.9 -28,-0.2 -30,-0.2 -25,-0.1 -0.724 53.2 0.1-101.4 151.5 28.9 50.4 62.7 160 161 A Q S S+ 0 0 65 -30,-1.5 -29,-0.2 -2,-0.3 -1,-0.2 0.759 78.1 127.4 53.7 39.0 25.1 50.3 62.2 161 162 A Q - 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