==== 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 POLYKETIDE SYNTHASE 22-JUN-98 1BI5 . COMPND 2 MOLECULE: CHALCONE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR J.L.FERRER,J.M.JEZ,M.E.BOWMAN,R.A.DIXON,J.P.NOEL . 389 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 13.6 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 . 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 . 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 . 20 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 32.4 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 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 3 1 0 0 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 . 3 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 1 A M 0 0 235 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.5 58.2 72.4 82.8 2 2 A V - 0 0 98 1,-0.1 2,-0.6 2,-0.0 0, 0.0 -0.326 360.0-133.3 -68.0 145.1 56.4 71.3 79.6 3 3 A S > - 0 0 36 1,-0.2 4,-2.3 2,-0.0 5,-0.1 -0.872 15.7-171.9-102.4 109.9 53.9 73.7 77.9 4 4 A V H > S+ 0 0 111 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.868 90.5 58.1 -67.4 -33.7 50.6 72.2 76.8 5 5 A S H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 107.9 46.8 -59.8 -41.4 49.8 75.4 74.9 6 6 A E H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.907 113.0 48.9 -65.5 -44.6 52.9 75.0 72.9 7 7 A I H X S+ 0 0 80 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.931 110.7 50.1 -61.5 -42.7 52.1 71.3 72.2 8 8 A R H X S+ 0 0 64 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.929 110.3 49.9 -64.5 -42.6 48.6 72.1 71.2 9 9 A K H < S+ 0 0 153 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.892 114.6 43.3 -64.9 -38.6 49.7 74.8 68.8 10 10 A A H < S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.722 110.9 58.6 -75.5 -21.7 52.3 72.6 67.1 11 11 A Q H < S+ 0 0 90 -4,-1.6 171,-2.7 -5,-0.2 -1,-0.2 0.743 90.9 79.6 -82.9 -25.0 49.9 69.6 67.0 12 12 A R S < S- 0 0 127 -4,-1.1 169,-0.2 169,-0.3 168,-0.2 -0.472 72.3-121.5 -96.1 158.8 47.1 71.1 64.9 13 13 A A - 0 0 13 166,-1.1 169,-0.1 -2,-0.2 -1,-0.1 -0.276 14.3-145.6 -85.0 176.2 46.5 71.6 61.2 14 14 A E + 0 0 180 167,-0.1 -1,-0.1 2,-0.1 165,-0.1 0.832 65.0 51.4-116.8 -40.3 45.8 75.0 59.6 15 15 A G S S- 0 0 20 1,-0.2 2,-0.1 3,-0.0 -2,-0.1 -0.292 90.4 -72.2 -97.3 177.7 43.5 74.8 56.6 16 16 A P - 0 0 50 0, 0.0 211,-0.3 0, 0.0 -1,-0.2 -0.378 57.3 -93.9 -67.8 142.9 40.1 73.3 55.9 17 17 A A - 0 0 0 222,-0.2 222,-3.0 209,-0.1 2,-0.4 -0.402 50.0-159.8 -54.0 132.4 39.7 69.5 55.6 18 18 A T E -AB 225 238A 2 207,-2.3 207,-2.6 220,-0.2 2,-0.6 -0.951 20.5-128.8-126.8 135.0 40.0 68.7 51.8 19 19 A I E +AB 224 237A 0 218,-3.4 217,-2.3 -2,-0.4 218,-1.0 -0.770 30.6 173.7 -81.4 122.8 38.9 65.6 49.8 20 20 A L E + 0 0 3 203,-3.5 214,-0.4 -2,-0.6 2,-0.3 0.474 59.5 10.4-110.4 -9.9 42.0 64.6 47.8 21 21 A A E -A 223 0A 0 202,-0.8 202,-1.5 212,-0.1 2,-0.3 -0.943 54.3-164.0-167.4 148.0 41.0 61.4 46.2 22 22 A I E +A 222 0A 3 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.988 12.9 171.1-141.0 129.5 37.8 59.3 45.5 23 23 A G E -A 221 0A 5 198,-2.4 198,-2.9 -2,-0.3 2,-0.3 -0.987 9.1-167.7-134.9 148.5 37.6 55.7 44.4 24 24 A T E -A 220 0A 17 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.913 6.1-178.8-133.6 164.6 34.6 53.4 44.2 25 25 A A E -A 219 0A 4 194,-2.3 194,-2.5 -2,-0.3 80,-0.1 -0.976 2.9-171.4-154.2 160.1 33.9 49.7 43.8 26 26 A N - 0 0 33 -2,-0.3 192,-0.1 192,-0.2 44,-0.1 -0.984 38.9 -85.9-148.8 154.7 30.9 47.3 43.5 27 27 A P - 0 0 6 0, 0.0 44,-0.1 0, 0.0 190,-0.1 -0.211 42.4-119.5 -54.6 151.0 30.2 43.5 43.4 28 28 A A S S+ 0 0 103 41,-0.1 2,-0.9 43,-0.1 43,-0.1 0.736 86.5 97.7 -72.9 -17.7 30.6 42.1 39.9 29 29 A N - 0 0 57 41,-0.3 41,-2.4 2,-0.0 2,-0.5 -0.561 59.9-162.1 -79.5 109.4 27.0 40.8 39.6 30 30 A C E -I 69 0B 51 -2,-0.9 2,-0.6 39,-0.2 39,-0.2 -0.792 2.8-162.3 -94.2 122.8 24.9 43.4 37.8 31 31 A V E -I 68 0B 17 37,-3.9 37,-1.6 -2,-0.5 2,-0.1 -0.900 12.2-137.4-112.7 113.0 21.2 43.0 38.3 32 32 A E E -I 67 0B 72 -2,-0.6 3,-0.3 35,-0.2 35,-0.3 -0.419 3.1-149.0 -70.2 137.7 18.8 44.7 35.8 33 33 A Q S > S+ 0 0 5 33,-2.8 3,-1.3 1,-0.2 -1,-0.1 0.854 89.9 68.5 -74.7 -32.4 15.8 46.4 37.4 34 34 A S T 3 S+ 0 0 79 32,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.829 113.8 28.9 -54.5 -36.7 13.5 45.8 34.5 35 35 A T T 3> S+ 0 0 86 -3,-0.3 4,-2.0 1,-0.1 -1,-0.3 0.251 93.2 101.2-107.0 4.5 13.5 42.1 35.1 36 36 A Y H <> S+ 0 0 2 -3,-1.3 4,-3.3 -4,-0.2 5,-0.3 0.900 74.1 58.0 -66.0 -40.6 14.1 42.2 38.9 37 37 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.908 110.3 45.9 -55.1 -39.9 10.4 41.6 40.0 38 38 A D H > S+ 0 0 96 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.921 116.1 45.4 -63.8 -47.5 10.4 38.3 38.0 39 39 A F H X S+ 0 0 48 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.942 116.1 45.1 -62.0 -47.7 13.8 37.3 39.4 40 40 A Y H X S+ 0 0 0 -4,-3.3 4,-1.8 2,-0.2 6,-0.2 0.906 113.4 46.6 -69.8 -41.9 13.0 38.2 43.0 41 41 A F H <>S+ 0 0 0 -4,-2.2 5,-2.8 -5,-0.3 6,-0.4 0.873 116.0 48.5 -71.1 -29.7 9.6 36.6 43.2 42 42 A K H ><5S+ 0 0 105 -4,-1.7 3,-1.4 -5,-0.3 -2,-0.2 0.925 112.0 46.1 -72.2 -44.5 11.0 33.5 41.6 43 43 A I H 3<5S+ 0 0 24 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.801 113.1 50.2 -71.6 -26.3 14.0 33.2 43.8 44 44 A T T 3<5S- 0 0 11 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.268 111.3-120.8 -91.6 11.3 12.0 33.8 47.0 45 45 A N T < 5S+ 0 0 140 -3,-1.4 -3,-0.2 1,-0.1 3,-0.2 0.841 76.6 124.7 56.9 37.0 9.5 31.1 46.0 46 46 A S > < + 0 0 2 -5,-2.8 3,-2.7 -6,-0.2 7,-0.2 0.033 15.2 122.7-116.9 22.4 6.7 33.7 46.0 47 47 A E T 3 S+ 0 0 107 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.732 71.4 63.8 -64.0 -21.1 5.2 33.5 42.5 48 48 A H T 3 S+ 0 0 140 -3,-0.2 2,-1.6 1,-0.2 -1,-0.3 0.543 79.5 85.4 -75.8 -9.4 1.8 32.7 44.1 49 49 A K <> + 0 0 64 -3,-2.7 4,-2.7 1,-0.2 5,-0.2 -0.473 56.5 160.6 -90.2 69.1 1.7 36.2 45.7 50 50 A T H > + 0 0 85 -2,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.882 67.8 47.0 -57.9 -47.4 0.3 37.7 42.5 51 51 A E H > S+ 0 0 149 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.930 114.4 48.6 -64.4 -45.0 -1.1 40.9 44.0 52 52 A L H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.910 108.6 52.9 -64.1 -41.1 2.1 41.5 45.8 53 53 A K H X S+ 0 0 36 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.930 106.7 53.3 -61.3 -42.7 4.2 40.9 42.8 54 54 A E H X S+ 0 0 129 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.934 109.2 49.2 -55.4 -43.6 2.2 43.4 40.8 55 55 A K H X S+ 0 0 100 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.917 111.3 49.6 -63.1 -42.0 2.9 46.0 43.6 56 56 A F H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.907 106.3 55.6 -65.5 -39.1 6.6 45.2 43.5 57 57 A Q H X S+ 0 0 61 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.945 110.0 46.3 -57.0 -45.3 6.6 45.6 39.7 58 58 A R H X S+ 0 0 167 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.934 110.6 53.5 -63.7 -42.2 5.2 49.1 40.2 59 59 A M H X S+ 0 0 44 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.945 113.6 41.8 -54.3 -49.2 7.7 49.8 42.9 60 60 A C H >< S+ 0 0 3 -4,-3.1 3,-0.9 1,-0.2 5,-0.5 0.912 112.0 54.7 -67.0 -39.7 10.6 48.8 40.6 61 61 A D H 3< S+ 0 0 97 -4,-3.2 3,-0.4 1,-0.2 -1,-0.2 0.829 115.1 40.1 -63.1 -30.1 9.1 50.6 37.6 62 62 A K H 3< S+ 0 0 120 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.450 91.4 90.5 -93.7 -0.9 8.9 53.8 39.6 63 63 A S S << S- 0 0 3 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.1 0.704 83.1-138.2 -71.6 -20.6 12.2 53.4 41.4 64 64 A M + 0 0 96 -3,-0.4 2,-0.5 -4,-0.4 271,-0.1 0.734 62.4 129.0 63.4 22.3 14.2 55.3 38.7 65 65 A I - 0 0 10 -5,-0.5 -1,-0.3 1,-0.1 267,-0.2 -0.956 38.7-176.6-105.7 126.5 16.9 52.6 39.1 66 66 A K - 0 0 112 266,-2.6 -33,-2.8 -2,-0.5 -32,-0.5 0.815 69.0 -12.5 -86.6 -38.3 18.1 50.9 35.9 67 67 A R E -I 32 0B 57 265,-1.6 -1,-0.3 -35,-0.3 2,-0.3 -0.979 53.7-155.2-160.7 161.7 20.5 48.4 37.7 68 68 A R E -I 31 0B 2 -37,-1.6 -37,-3.9 -2,-0.3 2,-0.5 -0.954 20.5-126.6-138.1 156.4 22.1 47.5 40.9 69 69 A Y E -I 30 0B 51 265,-0.4 148,-2.5 148,-0.4 2,-0.4 -0.912 31.9-171.1-104.8 132.1 25.3 45.5 41.8 70 70 A M - 0 0 8 -41,-2.4 -41,-0.3 -2,-0.5 123,-0.1 -0.988 32.8-156.1-133.8 129.0 24.7 42.7 44.3 71 71 A Y S S+ 0 0 58 -2,-0.4 2,-0.2 -44,-0.1 -1,-0.1 0.900 83.1 85.2 -53.3 -47.8 27.0 40.4 46.2 72 72 A L - 0 0 5 -3,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.444 63.2-177.9 -63.1 132.4 24.0 38.0 46.4 73 73 A T > - 0 0 43 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.770 43.0-101.5-120.0 168.5 23.7 35.8 43.3 74 74 A E H > S+ 0 0 99 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.922 123.7 51.3 -54.7 -42.4 21.2 33.2 42.3 75 75 A E H > S+ 0 0 124 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.937 110.4 46.4 -67.9 -42.1 23.6 30.5 43.4 76 76 A I H 4 S+ 0 0 33 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.921 113.8 49.7 -62.4 -42.4 24.2 32.0 46.8 77 77 A L H >< S+ 0 0 5 -4,-2.7 3,-1.4 1,-0.2 7,-0.2 0.902 106.0 55.7 -64.9 -38.5 20.5 32.5 47.3 78 78 A K H 3< S+ 0 0 124 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 108.2 49.9 -63.5 -28.3 19.7 28.9 46.3 79 79 A E T 3< S+ 0 0 105 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.502 112.7 49.3 -85.8 -4.6 22.2 27.7 49.0 80 80 A N X> + 0 0 33 -3,-1.4 3,-1.2 -4,-0.4 4,-1.1 -0.528 56.1 162.0-135.5 68.7 20.5 29.9 51.6 81 81 A P H 3> S+ 0 0 80 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.823 76.6 63.8 -60.9 -26.6 16.8 29.4 51.6 82 82 A N H 34 S+ 0 0 73 1,-0.2 6,-0.4 2,-0.2 3,-0.3 0.857 100.8 51.4 -68.7 -27.6 16.5 31.0 55.1 83 83 A V H <4 S+ 0 0 0 -3,-1.2 -1,-0.2 1,-0.2 117,-0.1 0.795 107.3 55.3 -70.9 -26.1 17.8 34.2 53.6 84 84 A C H < S+ 0 0 12 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.642 92.0 86.9 -82.2 -18.5 15.1 34.0 50.9 85 85 A E S < S- 0 0 103 -4,-1.1 115,-1.4 -3,-0.3 3,-0.4 -0.438 86.8-120.6 -74.7 161.4 12.3 33.7 53.4 86 86 A Y S S+ 0 0 52 113,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.926 100.5 6.4 -66.6 -42.9 10.7 36.8 54.8 87 87 A M S S+ 0 0 86 112,-0.1 -1,-0.2 2,-0.0 -4,-0.1 -0.601 85.0 133.3-147.0 85.8 11.6 36.0 58.4 88 88 A A - 0 0 5 -6,-0.4 -3,-0.0 -3,-0.4 2,-0.0 -0.981 65.5 -87.2-132.7 146.7 13.8 33.0 59.1 89 89 A P S S+ 0 0 91 0, 0.0 172,-0.3 0, 0.0 171,-0.1 -0.276 72.5 129.9 -52.3 122.1 16.8 32.5 61.4 90 90 A S > + 0 0 9 170,-2.9 4,-2.3 169,-0.1 171,-0.2 0.380 21.7 111.5-161.3 1.1 19.7 33.5 59.1 91 91 A L H > S+ 0 0 35 169,-2.9 4,-3.4 1,-0.2 5,-0.3 0.858 80.5 55.2 -58.8 -38.0 22.0 36.1 60.8 92 92 A D H > S+ 0 0 127 168,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.943 111.3 44.3 -63.8 -45.3 24.9 33.6 61.1 93 93 A A H > S+ 0 0 28 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.905 115.7 47.9 -61.5 -44.6 24.8 33.0 57.3 94 94 A R H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.925 111.0 50.5 -62.7 -46.3 24.5 36.7 56.6 95 95 A Q H X S+ 0 0 34 -4,-3.4 4,-3.0 1,-0.2 5,-0.3 0.918 105.9 56.0 -56.1 -46.4 27.3 37.7 58.9 96 96 A D H X S+ 0 0 124 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.2 0.901 111.6 45.8 -56.5 -36.9 29.6 35.1 57.3 97 97 A M H >X S+ 0 0 14 -4,-1.5 4,-2.7 1,-0.1 3,-0.5 0.970 119.7 34.9 -66.0 -55.2 28.9 36.8 54.0 98 98 A V H 3X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.706 103.3 67.6 -86.0 -19.4 29.3 40.4 55.0 99 99 A V H 3< S+ 0 0 39 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.1 0.830 117.5 31.6 -64.8 -25.8 32.1 40.2 57.6 100 100 A V H S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.859 116.2 55.8 -65.1 -33.6 36.2 44.8 53.9 104 104 A R H X S+ 0 0 85 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.958 114.5 38.8 -62.4 -47.2 36.9 43.0 50.5 105 105 A L H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.902 114.5 54.2 -68.7 -39.1 34.8 45.6 48.6 106 106 A G H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.4 -1,-0.2 0.887 104.6 55.9 -61.8 -38.6 36.1 48.4 50.7 107 107 A K H X S+ 0 0 80 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.912 104.9 51.9 -61.1 -43.2 39.7 47.4 49.9 108 108 A E H X S+ 0 0 79 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.954 113.6 43.1 -61.7 -47.0 39.0 47.7 46.1 109 109 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 112,-0.2 0.949 114.3 51.9 -61.9 -44.4 37.6 51.2 46.5 110 110 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.914 105.8 53.3 -60.3 -42.7 40.4 52.2 48.9 111 111 A V H X S+ 0 0 70 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.927 109.7 49.7 -59.9 -38.7 43.2 51.0 46.6 112 112 A K H X S+ 0 0 101 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.929 111.7 47.6 -65.4 -43.6 41.7 53.1 43.8 113 113 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.921 113.1 48.2 -62.4 -45.4 41.5 56.2 46.1 114 114 A I H X S+ 0 0 22 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.910 109.8 53.0 -64.0 -39.5 45.1 55.7 47.3 115 115 A K H < S+ 0 0 164 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.941 111.2 46.4 -60.6 -45.1 46.3 55.2 43.7 116 116 A E H < S+ 0 0 72 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.909 110.3 52.4 -62.0 -43.9 44.7 58.5 42.7 117 117 A W H < S- 0 0 9 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.928 92.4-158.6 -58.3 -45.5 46.1 60.3 45.7 118 118 A G < + 0 0 54 -4,-2.8 -3,-0.1 1,-0.3 -1,-0.1 0.383 46.3 115.1 87.5 -1.6 49.5 59.0 44.7 119 119 A Q S S- 0 0 51 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.573 77.8 -76.7-100.1 164.8 51.2 59.3 48.1 120 120 A P > - 0 0 67 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.309 31.3-135.7 -61.1 134.4 52.6 56.5 50.3 121 121 A K G > S+ 0 0 84 1,-0.3 3,-1.6 2,-0.2 30,-0.4 0.733 101.8 73.5 -65.2 -15.7 50.0 54.6 52.2 122 122 A S G 3 S+ 0 0 51 1,-0.3 -1,-0.3 28,-0.1 28,-0.0 0.584 86.4 65.7 -70.2 -11.7 52.3 54.8 55.2 123 123 A K G < S+ 0 0 129 -3,-2.2 2,-0.6 61,-0.0 62,-0.3 0.432 72.7 107.6 -88.4 -1.8 51.2 58.5 55.4 124 124 A I < + 0 0 3 -3,-1.6 27,-0.3 -4,-0.2 62,-0.2 -0.712 42.4 174.2 -78.3 120.4 47.6 57.5 56.2 125 125 A T + 0 0 43 60,-1.9 30,-2.6 -2,-0.6 2,-0.3 0.655 59.2 34.6-100.3 -22.2 47.3 58.4 59.9 126 126 A H E -cd 155 186A 6 59,-1.6 61,-2.8 28,-0.2 2,-0.4 -0.975 60.4-161.4-137.7 145.9 43.5 57.8 60.5 127 127 A L E -cd 156 187A 0 28,-2.8 30,-2.0 -2,-0.3 2,-0.5 -0.993 2.3-170.8-134.5 123.9 41.0 55.3 59.1 128 128 A I E -cd 157 188A 0 59,-2.6 61,-3.0 -2,-0.4 2,-0.4 -0.976 7.6-174.7-109.2 122.9 37.3 55.7 59.2 129 129 A V E -cd 158 189A 0 28,-2.4 30,-3.4 -2,-0.5 2,-0.4 -0.979 4.0-174.8-119.5 136.1 35.3 52.6 58.2 130 130 A C E +cd 159 190A 0 59,-2.6 61,-2.4 -2,-0.4 2,-0.3 -0.995 12.6 148.5-134.0 130.4 31.5 52.8 57.9 131 131 A T E -c 160 0A 0 28,-2.2 31,-1.2 -2,-0.4 30,-0.7 -0.984 36.1-159.6-154.0 157.9 29.0 50.1 57.2 132 132 A T S S+ 0 0 19 -2,-0.3 2,-0.6 59,-0.3 60,-0.1 0.195 78.0 84.3-113.0 6.2 25.4 49.1 58.0 133 133 A S S S- 0 0 6 58,-0.4 -31,-0.1 1,-0.1 -1,-0.1 -0.874 94.3 -23.8-121.8 104.0 25.9 45.5 57.1 134 134 A G - 0 0 2 -2,-0.6 27,-0.4 -3,-0.1 2,-0.3 0.091 54.6-134.9 89.3 157.5 27.3 43.2 59.8 135 135 A V + 0 0 48 25,-0.1 2,-0.3 -3,-0.1 -36,-0.1 -0.975 24.6 164.3-143.6 155.4 29.4 43.7 62.9 136 136 A D - 0 0 68 -2,-0.3 4,-0.2 -37,-0.0 0, 0.0 -0.967 35.7 -95.9-163.0 162.1 32.5 41.8 64.2 137 137 A M S S+ 0 0 168 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.991 115.4 30.8-128.9 123.5 35.3 42.1 66.7 138 138 A P S S- 0 0 73 0, 0.0 -1,-0.0 0, 0.0 2,-0.0 0.691 112.2-135.0 -56.3 154.0 38.0 43.1 65.6 139 139 A G > - 0 0 7 -2,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.022 24.3 -85.4 -81.7-174.0 36.0 45.1 63.2 140 140 A A H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.719 125.4 65.1 -62.3 -23.0 36.2 45.8 59.4 141 141 A D H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 103.0 44.9 -65.5 -46.7 38.6 48.6 60.4 142 142 A Y H > S+ 0 0 103 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.936 113.1 52.5 -60.0 -47.8 41.1 46.1 61.6 143 143 A Q H X S+ 0 0 50 -4,-2.1 4,-3.3 1,-0.2 -2,-0.2 0.928 110.0 46.0 -59.6 -44.1 40.5 44.0 58.5 144 144 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 6,-0.3 0.893 108.6 57.1 -70.1 -33.3 41.1 46.8 56.1 145 145 A T H X>S+ 0 0 16 -4,-2.3 5,-2.1 2,-0.2 4,-1.0 0.955 113.8 39.6 -54.0 -49.9 44.2 47.8 58.0 146 146 A K H ><5S+ 0 0 145 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.947 116.8 49.3 -64.9 -49.7 45.5 44.3 57.4 147 147 A L H 3<5S+ 0 0 69 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 117.4 39.9 -62.5 -35.7 44.3 44.0 53.9 148 148 A L H 3<5S- 0 0 15 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.558 105.0-122.5 -88.4 -12.0 45.7 47.3 52.8 149 149 A G T <<5 + 0 0 33 -4,-1.0 -3,-0.2 -3,-0.6 -4,-0.1 0.904 50.4 166.9 69.7 37.4 49.0 47.1 54.6 150 150 A L < - 0 0 11 -5,-2.1 -28,-0.1 -6,-0.3 -1,-0.1 -0.407 48.5 -79.5 -74.7 165.6 48.4 50.3 56.5 151 151 A R > - 0 0 92 -30,-0.4 3,-2.0 -27,-0.3 -1,-0.1 -0.374 35.8-125.1 -62.5 141.8 50.6 51.1 59.5 152 152 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.739 109.8 58.7 -59.8 -23.6 49.6 49.2 62.7 153 153 A Y T 3 S+ 0 0 161 2,-0.1 2,-0.1 -27,-0.0 -2,-0.1 0.121 71.9 134.2 -96.0 16.8 49.3 52.6 64.5 154 154 A V < - 0 0 8 -3,-2.0 2,-0.7 1,-0.1 -28,-0.2 -0.412 63.8-117.8 -59.4 139.7 46.7 54.0 62.1 155 155 A K E -c 126 0A 114 -30,-2.6 -28,-2.8 -2,-0.1 2,-0.3 -0.800 36.5-151.5 -87.5 117.0 44.0 55.7 64.3 156 156 A R E -c 127 0A 108 -2,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.621 23.7-172.9-104.8 146.0 40.8 53.8 63.7 157 157 A Y E -c 128 0A 66 -30,-2.0 -28,-2.4 -2,-0.3 2,-0.8 -0.943 13.1-163.6-131.4 101.6 37.1 54.9 63.8 158 158 A M E -c 129 0A 47 -2,-0.4 2,-0.8 -30,-0.2 -28,-0.2 -0.854 4.5-170.4 -99.2 103.8 34.8 51.9 63.3 159 159 A M E +c 130 0A 43 -30,-3.4 -28,-2.2 -2,-0.8 2,-0.3 -0.859 14.3 178.0 -99.1 102.0 31.3 53.1 62.5 160 160 A Y E +c 131 0A 52 -2,-0.8 -28,-0.2 -30,-0.2 -25,-0.1 -0.768 55.7 6.7-109.4 151.5 28.9 50.2 62.6 161 161 A Q S S+ 0 0 68 -30,-0.7 -29,-0.2 -27,-0.4 -1,-0.2 0.837 82.0 144.5 54.3 42.3 25.1 49.9 62.1 162 162 A Q - 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