==== 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 25-MAR-99 1CGK . COMPND 2 MOLECULE: PROTEIN (CHALCONE SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR J.-L.FERRER,J.JEZ,M.E.BOWMAN,R.DIXON,J.P.NOEL . 387 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 13.4 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 . 1 0.3 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 0 1 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 . 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 3 1 0 0 0 2 1 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 3 A S > 0 0 126 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -37.3 54.0 73.7 77.9 2 4 A V H > + 0 0 112 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.874 360.0 59.5 -73.5 -33.4 50.7 72.3 76.8 3 5 A S H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 106.9 46.9 -60.3 -44.0 49.9 75.5 74.8 4 6 A E H > S+ 0 0 148 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 112.0 50.2 -65.5 -42.5 53.0 75.0 72.7 5 7 A I H X S+ 0 0 95 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.939 111.9 48.6 -58.9 -46.4 52.2 71.4 72.1 6 8 A R H X S+ 0 0 64 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.926 110.3 49.7 -62.6 -44.0 48.7 72.2 71.1 7 9 A K H < S+ 0 0 151 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 115.2 44.4 -65.9 -32.6 49.7 74.9 68.7 8 10 A A H < S+ 0 0 65 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.720 109.8 56.7 -82.2 -22.1 52.3 72.7 67.0 9 11 A Q H < S+ 0 0 96 -4,-1.6 171,-2.6 -3,-0.2 -2,-0.2 0.709 91.8 83.9 -84.2 -24.4 50.0 69.7 66.9 10 12 A R S < S- 0 0 126 -4,-1.2 169,-0.2 169,-0.3 168,-0.2 -0.443 71.1-125.1 -90.2 156.6 47.1 71.2 64.9 11 13 A A - 0 0 12 166,-1.2 169,-0.2 -2,-0.1 -1,-0.1 -0.311 14.8-145.9 -87.5 173.5 46.5 71.7 61.1 12 14 A E + 0 0 173 167,-0.1 -1,-0.1 -2,-0.1 165,-0.1 0.764 63.5 48.8-117.1 -33.9 45.8 75.1 59.6 13 15 A G S S- 0 0 21 1,-0.2 3,-0.1 3,-0.0 -2,-0.1 -0.421 91.5 -66.3-104.9-176.0 43.4 75.0 56.6 14 16 A P - 0 0 49 0, 0.0 211,-0.3 0, 0.0 -1,-0.2 -0.331 56.1 -98.8 -68.8 138.5 40.0 73.4 55.8 15 17 A A - 0 0 0 222,-0.2 222,-3.4 209,-0.1 2,-0.4 -0.384 49.3-161.5 -56.1 131.7 39.7 69.6 55.5 16 18 A T E -AB 223 236A 0 207,-2.3 207,-2.3 220,-0.2 2,-0.6 -0.962 22.7-125.6-126.1 142.1 39.8 68.8 51.8 17 19 A I E +AB 222 235A 0 218,-3.0 217,-2.7 -2,-0.4 218,-1.0 -0.712 31.6 172.8 -81.3 120.7 38.8 65.8 49.7 18 20 A L E + 0 0 2 203,-3.0 214,-0.4 -2,-0.6 2,-0.3 0.502 60.7 9.3-109.3 -10.7 41.9 64.8 47.8 19 21 A A E -A 221 0A 0 202,-0.9 202,-1.7 212,-0.1 2,-0.4 -0.942 54.4-165.0-168.9 142.3 40.8 61.5 46.1 20 22 A I E +A 220 0A 3 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.990 11.9 173.0-134.8 134.8 37.7 59.5 45.6 21 23 A G E -A 219 0A 4 198,-2.5 198,-3.2 -2,-0.4 2,-0.3 -0.974 8.8-166.3-138.4 145.0 37.5 55.8 44.5 22 24 A T E -A 218 0A 15 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.915 6.6-179.4-129.8 165.5 34.5 53.5 44.2 23 25 A A E -A 217 0A 5 194,-2.5 194,-2.5 -2,-0.3 80,-0.1 -0.985 3.7-170.4-158.8 155.7 33.8 49.8 43.8 24 26 A N - 0 0 31 -2,-0.3 192,-0.1 192,-0.2 44,-0.1 -0.991 39.4 -87.5-144.1 155.5 30.8 47.5 43.5 25 27 A P - 0 0 3 0, 0.0 43,-0.1 0, 0.0 44,-0.1 -0.218 43.2-119.1 -58.9 148.7 30.3 43.7 43.5 26 28 A A S S+ 0 0 103 41,-0.1 2,-0.7 43,-0.1 43,-0.1 0.794 86.1 98.4 -69.3 -21.3 30.6 42.3 39.9 27 29 A N - 0 0 60 41,-0.3 41,-2.3 1,-0.0 2,-0.6 -0.484 60.6-159.4 -76.4 108.8 27.1 41.0 39.7 28 30 A C E -I 67 0B 53 -2,-0.7 2,-0.6 39,-0.2 39,-0.2 -0.818 2.9-162.0 -91.8 120.7 24.9 43.5 37.8 29 31 A V E -I 66 0B 20 37,-3.7 37,-1.7 -2,-0.6 2,-0.2 -0.899 12.3-139.9-107.8 110.2 21.1 43.1 38.5 30 32 A E E -I 65 0B 82 -2,-0.6 35,-0.3 35,-0.2 3,-0.1 -0.453 3.5-149.5 -66.7 141.2 18.8 44.8 36.0 31 33 A Q S > S+ 0 0 5 33,-2.5 3,-1.4 1,-0.2 -1,-0.1 0.813 87.9 69.5 -81.0 -32.6 15.8 46.4 37.6 32 34 A S T 3 S+ 0 0 78 32,-0.5 -1,-0.2 1,-0.3 4,-0.2 0.883 113.4 27.9 -57.3 -38.6 13.4 45.9 34.7 33 35 A T T 3> S+ 0 0 81 1,-0.1 4,-2.0 -3,-0.1 -1,-0.3 0.206 93.6 102.1-103.8 10.1 13.3 42.1 35.3 34 36 A Y H <> S+ 0 0 2 -3,-1.4 4,-3.6 1,-0.2 5,-0.3 0.939 74.2 57.8 -66.0 -42.3 14.0 42.2 39.0 35 37 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.867 109.9 45.2 -53.0 -46.1 10.4 41.6 40.1 36 38 A D H > S+ 0 0 90 2,-0.2 4,-1.4 -4,-0.2 -2,-0.2 0.918 116.8 45.2 -64.0 -45.1 10.2 38.4 38.1 37 39 A F H X S+ 0 0 50 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.955 114.9 47.1 -63.4 -48.6 13.6 37.3 39.4 38 40 A Y H X S+ 0 0 0 -4,-3.6 4,-1.6 1,-0.3 -2,-0.2 0.912 111.6 48.9 -67.1 -41.8 13.0 38.2 43.1 39 41 A F H <>S+ 0 0 0 -4,-2.0 5,-3.2 -5,-0.3 6,-0.5 0.823 115.1 46.0 -68.8 -28.7 9.6 36.6 43.3 40 42 A K H ><5S+ 0 0 98 -4,-1.4 3,-2.1 -3,-0.2 -2,-0.2 0.945 112.4 48.1 -74.6 -52.9 10.9 33.3 41.7 41 43 A I H 3<5S+ 0 0 22 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.744 114.4 47.4 -62.1 -23.8 14.1 33.1 43.9 42 44 A T T 3<5S- 0 0 11 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.1 0.161 112.5-118.5 -99.0 12.1 12.0 33.8 47.1 43 45 A N T < 5S+ 0 0 133 -3,-2.1 -3,-0.2 1,-0.1 3,-0.1 0.902 77.6 124.8 52.3 48.0 9.4 31.2 46.1 44 46 A S > < + 0 0 3 -5,-3.2 3,-2.3 -6,-0.2 -4,-0.2 0.191 16.9 120.3-124.1 19.7 6.7 33.8 46.0 45 47 A E T 3 S+ 0 0 118 -6,-0.5 -1,-0.1 1,-0.3 -5,-0.1 0.774 73.8 60.6 -56.7 -29.2 5.2 33.5 42.5 46 48 A H T 3 S+ 0 0 140 1,-0.2 2,-1.9 -7,-0.1 -1,-0.3 0.639 80.9 85.0 -73.7 -15.3 1.8 32.7 44.0 47 49 A K <> + 0 0 61 -3,-2.3 4,-2.5 1,-0.2 -1,-0.2 -0.511 57.4 162.0 -85.9 74.7 1.7 36.1 45.8 48 50 A T H > + 0 0 83 -2,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.880 67.1 47.3 -69.0 -43.6 0.3 37.8 42.6 49 51 A E H > S+ 0 0 151 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.970 115.0 47.9 -65.0 -41.7 -1.1 41.0 44.1 50 52 A L H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.917 109.1 53.9 -63.2 -42.3 2.1 41.5 46.0 51 53 A K H X S+ 0 0 37 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.930 107.1 50.6 -59.9 -41.2 4.2 40.9 42.9 52 54 A E H X S+ 0 0 129 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.903 109.9 51.3 -62.2 -45.0 2.2 43.5 41.0 53 55 A K H X S+ 0 0 95 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 110.1 49.2 -56.3 -44.5 2.9 46.0 43.8 54 56 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.823 106.8 55.5 -63.0 -42.3 6.6 45.2 43.7 55 57 A Q H X S+ 0 0 55 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.911 109.6 46.6 -58.3 -41.9 6.7 45.7 39.9 56 58 A R H X S+ 0 0 159 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.902 111.0 52.8 -67.2 -40.1 5.2 49.2 40.3 57 59 A M H X S+ 0 0 45 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.936 114.1 42.3 -57.3 -49.8 7.7 49.8 43.1 58 60 A C H >< S+ 0 0 3 -4,-2.8 3,-1.0 2,-0.2 5,-0.5 0.944 112.9 52.8 -65.1 -41.2 10.6 48.8 40.9 59 61 A D H 3< S+ 0 0 100 -4,-3.0 3,-0.4 1,-0.3 -2,-0.2 0.865 116.1 40.4 -65.9 -31.8 9.1 50.7 37.8 60 62 A K H 3< S+ 0 0 113 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.492 91.3 88.8 -89.9 -3.3 8.9 53.9 39.9 61 63 A S S << S- 0 0 3 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.1 0.674 84.4-138.6 -67.7 -22.6 12.2 53.5 41.7 62 64 A M + 0 0 101 -3,-0.4 2,-0.5 -4,-0.4 271,-0.1 0.778 62.4 129.2 63.6 26.0 14.1 55.3 39.0 63 65 A I - 0 0 8 -5,-0.5 -1,-0.3 1,-0.1 267,-0.2 -0.971 37.1-178.1-108.7 123.0 16.8 52.6 39.4 64 66 A K - 0 0 111 266,-2.5 -33,-2.5 -2,-0.5 -32,-0.5 0.743 69.1 -6.6 -88.4 -33.5 18.0 50.9 36.2 65 67 A R E -I 30 0B 70 265,-1.7 2,-0.3 264,-0.3 -1,-0.3 -0.987 54.2-160.3-159.1 157.6 20.4 48.6 37.9 66 68 A R E -I 29 0B 2 -37,-1.7 -37,-3.7 -2,-0.3 2,-0.4 -0.978 21.6-127.0-136.8 156.8 22.1 47.6 41.1 67 69 A Y E -I 28 0B 50 265,-0.4 148,-2.6 148,-0.4 2,-0.4 -0.874 30.6-173.7-105.6 128.9 25.3 45.6 42.0 68 70 A M - 0 0 8 -41,-2.3 -41,-0.3 -2,-0.4 123,-0.1 -0.986 32.1-156.4-131.2 133.4 24.8 42.8 44.4 69 71 A Y S S+ 0 0 64 -2,-0.4 2,-0.1 -43,-0.1 -1,-0.1 0.872 82.6 85.5 -63.2 -42.9 27.2 40.4 46.1 70 72 A L - 0 0 5 -3,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.463 63.6-177.4 -62.8 136.8 24.2 38.0 46.5 71 73 A T > - 0 0 40 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.817 43.4 -98.8-125.7 173.0 23.6 35.8 43.4 72 74 A E H > S+ 0 0 108 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.913 124.6 50.3 -60.7 -44.5 21.1 33.2 42.4 73 75 A E H > S+ 0 0 123 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.874 111.2 47.4 -58.7 -50.8 23.5 30.5 43.4 74 76 A I H > S+ 0 0 30 2,-0.2 4,-0.6 1,-0.2 3,-0.3 0.952 113.3 48.6 -57.0 -46.9 24.2 32.0 46.9 75 77 A L H >< S+ 0 0 6 -4,-2.8 3,-0.9 1,-0.2 7,-0.3 0.900 107.6 55.6 -63.8 -37.8 20.4 32.5 47.4 76 78 A K H 3< S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.826 108.2 48.4 -62.8 -31.2 19.8 28.9 46.4 77 79 A E H 3< S+ 0 0 113 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.539 114.5 49.1 -84.8 -1.9 22.3 27.7 49.1 78 80 A N XX + 0 0 34 -3,-0.9 4,-0.9 -4,-0.6 3,-0.9 -0.459 56.1 161.3-136.9 73.4 20.6 30.0 51.7 79 81 A P H 3> S+ 0 0 80 0, 0.0 4,-0.7 0, 0.0 3,-0.3 0.787 75.4 65.6 -63.3 -27.5 16.8 29.5 51.7 80 82 A N H >4 S+ 0 0 72 1,-0.3 3,-0.8 2,-0.2 6,-0.4 0.885 101.3 50.5 -62.5 -38.0 16.6 31.0 55.2 81 83 A V H <4 S+ 0 0 1 -3,-0.9 -1,-0.3 1,-0.2 117,-0.2 0.792 106.2 55.5 -66.9 -30.8 17.8 34.3 53.7 82 84 A C H 3< S+ 0 0 13 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.563 92.9 86.9 -78.5 -13.3 15.1 34.0 50.9 83 85 A E S << S- 0 0 100 -3,-0.8 115,-1.4 -4,-0.7 3,-0.3 -0.488 87.2-121.8 -78.4 162.4 12.3 33.8 53.5 84 86 A Y S S+ 0 0 41 113,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.912 100.4 9.5 -70.7 -38.7 10.8 37.0 54.9 85 87 A M S S+ 0 0 88 112,-0.1 -1,-0.2 2,-0.0 -4,-0.1 -0.630 84.1 130.3-148.9 85.0 11.7 36.0 58.5 86 88 A A - 0 0 5 -6,-0.4 -3,-0.1 -3,-0.3 3,-0.0 -0.990 66.4 -86.1-136.5 153.0 14.0 33.1 59.3 87 89 A P S S+ 0 0 89 0, 0.0 172,-0.3 0, 0.0 171,-0.1 -0.228 72.3 130.6 -57.4 118.6 17.1 32.6 61.4 88 90 A S > + 0 0 8 170,-3.4 4,-2.2 169,-0.1 171,-0.2 0.368 23.4 108.9-159.2 -0.1 19.8 33.7 59.1 89 91 A L H > S+ 0 0 34 169,-2.8 4,-3.1 2,-0.2 5,-0.2 0.845 80.3 54.7 -60.0 -37.6 22.1 36.2 60.8 90 92 A D H > S+ 0 0 125 168,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.958 111.7 45.0 -65.1 -42.8 25.0 33.8 61.1 91 93 A A H > S+ 0 0 28 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 116.2 46.3 -58.5 -50.4 25.0 33.1 57.4 92 94 A R H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.911 111.1 51.9 -61.1 -47.2 24.6 36.8 56.5 93 95 A Q H X S+ 0 0 34 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.926 105.7 55.6 -53.2 -43.4 27.4 37.8 59.0 94 96 A D H X S+ 0 0 120 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.881 112.1 44.2 -62.7 -37.5 29.7 35.3 57.4 95 97 A M H >X S+ 0 0 14 -4,-1.5 4,-2.7 -5,-0.1 3,-0.5 0.959 119.3 38.1 -67.7 -54.9 29.1 36.9 54.0 96 98 A V H 3X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.805 103.7 65.9 -83.0 -19.0 29.4 40.6 55.0 97 99 A V H 3< S+ 0 0 39 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.1 0.820 118.1 30.1 -68.4 -29.6 32.2 40.3 57.6 98 100 A V H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.840 116.1 57.2 -65.0 -30.1 36.3 45.0 53.9 102 104 A R H X S+ 0 0 85 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.939 113.3 38.3 -64.3 -47.5 36.9 43.2 50.5 103 105 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.929 114.5 55.2 -69.5 -36.7 34.9 45.8 48.6 104 106 A G H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.4 -2,-0.2 0.931 105.5 53.3 -59.0 -44.0 36.1 48.6 50.8 105 107 A K H X S+ 0 0 81 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.907 106.1 52.8 -58.0 -46.9 39.7 47.6 49.9 106 108 A E H X S+ 0 0 86 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.977 114.0 41.8 -56.8 -53.4 38.9 47.8 46.1 107 109 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 112,-0.2 0.906 114.7 52.3 -58.5 -43.5 37.5 51.3 46.5 108 110 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.3 5,-0.2 0.925 104.9 53.6 -63.5 -42.9 40.3 52.3 48.8 109 111 A V H X S+ 0 0 72 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.906 109.1 51.3 -57.8 -38.9 43.1 51.1 46.5 110 112 A K H X S+ 0 0 115 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.923 111.7 45.2 -64.8 -46.1 41.6 53.3 43.8 111 113 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.899 112.5 51.3 -63.6 -43.7 41.5 56.4 45.9 112 114 A I H X S+ 0 0 21 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.938 110.2 50.0 -62.5 -36.7 45.0 55.8 47.2 113 115 A K H < S+ 0 0 177 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.936 112.0 47.9 -66.2 -47.0 46.3 55.4 43.5 114 116 A E H < S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.921 110.9 50.0 -57.2 -51.3 44.5 58.7 42.6 115 117 A W H < S- 0 0 9 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.877 93.9-156.6 -56.2 -43.5 46.0 60.5 45.7 116 118 A G < + 0 0 53 -4,-2.4 -3,-0.1 1,-0.3 -1,-0.1 0.408 46.2 118.2 88.0 -0.6 49.4 59.1 44.6 117 119 A Q S S- 0 0 52 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.528 75.7 -79.3-100.7 160.4 51.1 59.3 48.0 118 120 A P > - 0 0 72 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.332 32.1-133.2 -56.4 137.9 52.6 56.5 50.1 119 121 A K G > S+ 0 0 85 1,-0.3 3,-2.0 2,-0.2 30,-0.4 0.765 103.3 72.6 -65.7 -22.5 50.0 54.6 52.1 120 122 A S G 3 S+ 0 0 49 1,-0.3 -1,-0.3 28,-0.1 28,-0.0 0.636 85.6 65.9 -68.9 -9.8 52.2 54.9 55.1 121 123 A K G < S+ 0 0 132 -3,-2.3 2,-0.7 61,-0.0 -1,-0.3 0.434 73.3 108.5 -86.4 -1.0 51.2 58.6 55.2 122 124 A I < + 0 0 3 -3,-2.0 27,-0.3 1,-0.2 62,-0.2 -0.678 41.7 171.3 -75.6 114.0 47.6 57.5 56.1 123 125 A T + 0 0 46 60,-1.8 30,-2.5 -2,-0.7 2,-0.3 0.625 58.6 33.2 -96.2 -25.5 47.3 58.5 59.7 124 126 A H E -cd 153 184A 6 59,-1.6 61,-2.8 28,-0.2 2,-0.4 -0.991 60.3-162.8-131.7 147.5 43.6 57.9 60.4 125 127 A L E -cd 154 185A 0 28,-2.8 30,-2.1 -2,-0.3 2,-0.5 -0.980 2.6-172.2-138.4 123.3 41.0 55.5 59.1 126 128 A I E -cd 155 186A 0 59,-2.6 61,-2.5 -2,-0.4 2,-0.4 -0.955 7.8-173.4-109.7 128.1 37.3 55.8 59.3 127 129 A V E -cd 156 187A 0 28,-2.4 30,-3.4 -2,-0.5 2,-0.4 -0.990 4.1-173.1-123.6 136.8 35.3 52.7 58.2 128 130 A C E +cd 157 188A 0 59,-2.8 61,-2.5 -2,-0.4 2,-0.3 -0.987 13.0 149.4-134.7 132.8 31.5 52.9 57.9 129 131 A T - 0 0 0 28,-2.2 31,-1.3 -2,-0.4 30,-0.5 -0.992 36.8-161.4-152.7 158.8 29.0 50.3 57.2 130 132 A T S S+ 0 0 17 -2,-0.3 2,-0.7 59,-0.3 60,-0.1 0.192 77.2 91.1-111.8 5.5 25.4 49.3 58.0 131 133 A S S S- 0 0 9 58,-0.4 -31,-0.1 1,-0.1 -1,-0.1 -0.848 93.8 -38.1-115.8 93.1 26.1 45.7 57.0 132 134 A G - 0 0 2 -2,-0.7 27,-0.4 -3,-0.1 2,-0.3 0.088 55.4-126.8 76.8 159.1 27.2 43.4 59.8 133 135 A V + 0 0 50 25,-0.1 2,-0.3 -3,-0.1 -36,-0.1 -0.989 26.9 163.1-137.0 160.0 29.5 43.8 62.8 134 136 A D - 0 0 69 -2,-0.3 4,-0.2 -37,-0.0 0, 0.0 -0.976 34.5 -95.5-168.2 163.2 32.5 42.0 64.2 135 137 A M S S+ 0 0 171 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.951 115.2 32.1-133.2 128.0 35.4 42.3 66.6 136 138 A P S S- 0 0 74 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.585 112.5-137.1 -52.3 152.2 38.1 43.2 65.6 137 139 A G >> - 0 0 7 -2,-0.2 4,-2.1 1,-0.1 3,-0.6 -0.053 24.9 -84.0 -82.6-174.7 36.0 45.2 63.1 138 140 A A H 3> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.737 125.1 64.2 -64.2 -21.1 36.2 46.0 59.4 139 141 A D H 3> S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 104.1 44.2 -69.0 -42.7 38.7 48.8 60.3 140 142 A Y H <> S+ 0 0 99 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.945 114.1 51.1 -64.1 -48.5 41.2 46.3 61.5 141 143 A Q H X S+ 0 0 52 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.908 111.0 46.9 -55.9 -47.4 40.5 44.1 58.5 142 144 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 6,-0.3 0.920 108.4 56.3 -66.7 -33.0 41.1 46.9 56.0 143 145 A T H X>S+ 0 0 15 -4,-2.3 5,-1.8 1,-0.2 4,-0.9 0.931 113.7 40.8 -60.5 -46.5 44.2 47.9 57.9 144 146 A K H ><5S+ 0 0 143 -4,-2.3 3,-0.9 3,-0.2 -2,-0.2 0.976 115.6 49.4 -64.7 -52.6 45.5 44.4 57.3 145 147 A L H 3<5S+ 0 0 74 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.835 118.4 38.7 -56.3 -40.6 44.3 44.1 53.7 146 148 A L H 3<5S- 0 0 14 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.527 105.9-122.8 -86.1 -15.2 45.7 47.5 52.6 147 149 A G T <<5 + 0 0 32 -4,-0.9 -3,-0.2 -3,-0.9 -4,-0.1 0.882 48.4 169.9 70.0 37.5 49.0 47.2 54.6 148 150 A L < - 0 0 10 -5,-1.8 -1,-0.1 -6,-0.3 -28,-0.1 -0.422 47.6 -83.2 -68.3 160.7 48.3 50.5 56.4 149 151 A R > - 0 0 89 -30,-0.4 3,-1.8 -27,-0.3 -1,-0.1 -0.343 36.2-122.2 -60.9 145.6 50.7 51.2 59.4 150 152 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.674 110.1 60.1 -60.7 -24.9 49.6 49.4 62.6 151 153 A Y T 3 S+ 0 0 168 2,-0.1 2,-0.1 -27,-0.0 -2,-0.1 0.130 70.6 132.5 -92.9 17.5 49.4 52.7 64.4 152 154 A V < - 0 0 6 -3,-1.8 2,-0.6 1,-0.1 -28,-0.2 -0.489 65.0-118.5 -61.7 140.3 46.8 54.2 62.0 153 155 A K E -c 124 0A 119 -30,-2.5 -28,-2.8 -2,-0.1 2,-0.3 -0.756 35.8-152.5 -88.3 116.1 44.1 55.7 64.3 154 156 A R E -c 125 0A 109 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.647 23.3-173.0-101.2 146.9 40.8 53.9 63.6 155 157 A Y E -c 126 0A 67 -30,-2.1 -28,-2.4 -2,-0.3 2,-0.8 -0.952 13.8-161.9-133.9 96.5 37.2 54.9 63.9 156 158 A M E -c 127 0A 48 -2,-0.4 2,-0.8 -30,-0.2 -28,-0.2 -0.866 4.4-168.9 -92.5 110.5 34.9 51.9 63.3 157 159 A M E +c 128 0A 42 -30,-3.4 -28,-2.2 -2,-0.8 2,-0.3 -0.865 15.2 177.8-102.9 99.4 31.4 53.2 62.5 158 160 A Y + 0 0 51 -2,-0.8 -28,-0.2 1,-0.2 -25,-0.1 -0.772 55.6 7.4-104.1 154.1 29.0 50.3 62.7 159 161 A Q S S+ 0 0 69 -30,-0.5 -29,-0.2 -27,-0.4 -1,-0.2 0.873 81.3 144.1 51.3 41.9 25.2 50.0 62.2 160 162 A Q - 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