==== 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 12-MAR-01 1I86 . COMPND 2 MOLECULE: CHALCONE SYNTHASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR J.M.JEZ,M.E.BOWMAN,J.P.NOEL . 389 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 72.0 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 13.6 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 . 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 . 22 5.7 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 . 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 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 0 253 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.7 58.3 72.7 82.4 2 2 A V - 0 0 119 1,-0.0 2,-0.7 4,-0.0 0, 0.0 -0.657 360.0-135.8 -88.2 136.4 56.4 71.7 79.2 3 3 A S > - 0 0 35 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.798 14.7-172.9 -91.2 114.3 54.2 74.1 77.3 4 4 A V H > S+ 0 0 108 -2,-0.7 4,-3.2 1,-0.2 5,-0.2 0.866 87.9 59.1 -73.4 -31.1 50.9 72.6 76.2 5 5 A S H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 106.8 47.2 -63.6 -39.2 50.0 75.7 74.3 6 6 A E H > S+ 0 0 136 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 112.6 49.4 -65.1 -41.0 53.2 75.3 72.2 7 7 A I H X S+ 0 0 79 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.954 111.7 48.7 -62.6 -47.2 52.4 71.6 71.6 8 8 A R H X S+ 0 0 61 -4,-3.2 4,-1.2 1,-0.2 3,-0.3 0.900 111.1 49.3 -61.4 -41.8 48.8 72.4 70.6 9 9 A K H < S+ 0 0 148 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.911 115.2 44.3 -63.0 -43.2 49.9 75.1 68.1 10 10 A A H < S+ 0 0 37 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.693 111.5 55.4 -72.8 -20.8 52.5 72.8 66.6 11 11 A Q H < S+ 0 0 93 -4,-1.4 171,-2.7 -3,-0.3 -1,-0.2 0.721 93.0 79.4 -88.8 -23.2 50.1 69.8 66.4 12 12 A R S < S- 0 0 125 -4,-1.2 169,-0.2 -3,-0.4 168,-0.2 -0.479 72.5-121.4 -92.6 159.5 47.2 71.3 64.5 13 13 A A - 0 0 14 166,-0.9 169,-0.1 -2,-0.2 -1,-0.1 -0.293 13.4-144.3 -86.3 172.9 46.7 71.9 60.8 14 14 A E + 0 0 173 167,-0.1 -1,-0.1 -2,-0.1 165,-0.1 0.837 64.8 48.6-107.5 -51.7 45.9 75.3 59.2 15 15 A G S S- 0 0 18 1,-0.2 3,-0.1 3,-0.0 -2,-0.1 -0.247 90.0 -68.5 -89.7-177.3 43.5 75.1 56.3 16 16 A P - 0 0 48 0, 0.0 211,-0.3 0, 0.0 -1,-0.2 -0.313 56.3 -97.5 -69.5 141.9 40.2 73.6 55.4 17 17 A A - 0 0 0 222,-0.2 222,-2.9 209,-0.1 2,-0.4 -0.385 48.5-161.8 -58.4 130.5 39.8 69.8 55.1 18 18 A T E -AB 225 238A 2 207,-2.2 207,-2.5 220,-0.2 2,-0.6 -0.963 22.4-127.6-124.4 140.3 40.0 69.0 51.4 19 19 A I E +AB 224 237A 0 218,-2.9 217,-2.4 -2,-0.4 218,-1.1 -0.766 30.7 174.5 -82.6 121.5 39.0 65.9 49.4 20 20 A L E + 0 0 2 203,-3.1 214,-0.4 -2,-0.6 2,-0.3 0.398 60.8 11.3-109.0 -10.6 42.1 65.0 47.4 21 21 A A E -A 223 0A 0 202,-0.8 202,-1.6 212,-0.1 2,-0.4 -0.931 55.0-164.7-164.1 148.8 41.0 61.7 45.8 22 22 A I E +A 222 0A 3 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.989 13.0 171.5-139.3 127.7 37.8 59.7 45.2 23 23 A G E -A 221 0A 5 198,-2.3 198,-3.1 -2,-0.4 2,-0.3 -0.985 9.2-166.2-136.4 144.1 37.6 56.1 44.0 24 24 A T E -A 220 0A 19 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.889 6.4-177.7-129.6 162.3 34.7 53.7 43.8 25 25 A A E -A 219 0A 3 194,-2.3 194,-2.6 -2,-0.3 84,-0.1 -0.980 2.1-171.8-153.1 155.1 34.0 50.0 43.4 26 26 A N - 0 0 32 -2,-0.3 192,-0.1 192,-0.2 44,-0.1 -0.981 38.6 -87.2-147.2 150.7 31.0 47.7 43.0 27 27 A P - 0 0 5 0, 0.0 43,-0.1 0, 0.0 190,-0.1 -0.268 41.6-120.5 -51.7 146.3 30.3 43.9 43.0 28 28 A A S S+ 0 0 103 41,-0.1 2,-0.7 43,-0.1 43,-0.1 0.786 86.2 96.6 -65.8 -26.4 30.7 42.5 39.5 29 29 A N - 0 0 61 41,-0.2 41,-2.3 1,-0.0 2,-0.6 -0.501 60.9-160.3 -73.7 108.3 27.1 41.2 39.2 30 30 A C E -I 69 0B 50 -2,-0.7 2,-0.7 39,-0.2 39,-0.2 -0.813 2.5-162.3 -95.2 118.5 24.9 43.7 37.5 31 31 A V E -I 68 0B 22 37,-3.4 37,-1.7 -2,-0.6 2,-0.2 -0.883 12.4-139.3-105.7 110.5 21.2 43.3 38.1 32 32 A E E -I 67 0B 69 -2,-0.7 35,-0.3 35,-0.2 3,-0.2 -0.462 2.5-148.0 -66.7 139.9 18.8 45.1 35.6 33 33 A Q S > S+ 0 0 5 33,-2.7 3,-1.5 1,-0.2 -1,-0.1 0.896 90.7 66.7 -76.7 -36.2 15.8 46.7 37.2 34 34 A S T 3 S+ 0 0 83 32,-0.5 -1,-0.2 1,-0.3 33,-0.1 0.841 113.0 31.8 -51.9 -42.6 13.5 46.2 34.3 35 35 A T T 3> S+ 0 0 86 -3,-0.2 4,-1.8 1,-0.1 -1,-0.3 0.293 93.3 99.4 -98.5 6.6 13.5 42.4 34.8 36 36 A Y H <> S+ 0 0 2 -3,-1.5 4,-3.5 -4,-0.2 5,-0.4 0.909 72.6 60.1 -66.1 -41.4 13.9 42.5 38.6 37 37 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.916 110.2 43.2 -51.7 -48.8 10.3 41.9 39.6 38 38 A D H > S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.940 116.8 46.2 -62.3 -48.7 10.3 38.5 37.8 39 39 A F H X S+ 0 0 69 -4,-1.8 4,-3.0 1,-0.2 3,-0.3 0.964 115.2 46.6 -58.6 -51.7 13.7 37.5 39.1 40 40 A Y H X S+ 0 0 0 -4,-3.5 4,-1.4 1,-0.2 -1,-0.2 0.897 112.2 47.6 -64.2 -37.7 12.9 38.5 42.6 41 41 A F H <>S+ 0 0 0 -4,-2.3 5,-2.9 -5,-0.4 6,-0.5 0.815 115.9 48.0 -75.9 -19.4 9.5 36.8 42.9 42 42 A K H ><5S+ 0 0 116 -4,-1.6 3,-1.5 -3,-0.3 -2,-0.2 0.918 110.5 46.8 -85.1 -43.5 11.1 33.7 41.4 43 43 A I H 3<5S+ 0 0 21 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.750 115.5 47.8 -70.7 -21.9 14.2 33.4 43.6 44 44 A T T 3<5S- 0 0 11 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.185 111.2-119.8 -99.5 11.6 12.0 34.0 46.7 45 45 A N T < 5S+ 0 0 133 -3,-1.5 -3,-0.2 1,-0.1 3,-0.2 0.868 76.1 123.8 53.2 45.7 9.3 31.4 45.7 46 46 A S > < + 0 0 4 -5,-2.9 3,-1.6 -6,-0.2 7,-0.2 0.132 18.5 120.0-123.5 26.5 6.6 34.0 45.6 47 47 A E T 3 S+ 0 0 96 -6,-0.5 -1,-0.1 1,-0.3 -5,-0.1 0.798 73.3 61.1 -61.9 -26.9 5.2 33.7 42.1 48 48 A H T 3 S+ 0 0 144 1,-0.2 2,-2.2 -3,-0.2 -1,-0.3 0.723 81.6 86.0 -71.2 -22.3 1.7 32.9 43.5 49 49 A K <> + 0 0 72 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 -0.435 57.2 164.2 -82.6 72.9 1.6 36.3 45.3 50 50 A T H > + 0 0 77 -2,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.867 67.1 46.5 -62.7 -47.6 0.1 38.0 42.2 51 51 A E H > S+ 0 0 124 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.944 114.2 50.4 -66.2 -37.7 -1.2 41.2 43.7 52 52 A L H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.924 107.4 53.6 -63.2 -43.1 2.0 41.7 45.7 53 53 A K H X S+ 0 0 42 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.898 106.6 51.9 -59.1 -40.3 4.1 41.2 42.5 54 54 A E H X S+ 0 0 107 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.905 109.1 51.1 -63.5 -39.7 2.1 43.9 40.7 55 55 A K H X S+ 0 0 106 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.909 111.2 47.2 -64.2 -40.7 2.9 46.2 43.6 56 56 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.834 107.9 56.4 -68.9 -38.6 6.6 45.4 43.4 57 57 A Q H X S+ 0 0 57 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.929 109.1 46.4 -57.9 -44.7 6.5 45.9 39.6 58 58 A R H X S+ 0 0 160 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.922 110.9 52.7 -64.6 -40.8 5.1 49.4 40.1 59 59 A M H X S+ 0 0 38 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.929 112.5 44.7 -59.6 -47.5 7.7 50.1 42.8 60 60 A C H >< S+ 0 0 3 -4,-2.7 3,-0.6 1,-0.2 5,-0.4 0.901 112.1 51.7 -64.6 -40.2 10.5 49.1 40.5 61 61 A D H 3< S+ 0 0 99 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.816 115.1 42.5 -68.5 -28.4 9.1 51.0 37.5 62 62 A K H 3< S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.537 92.3 88.5 -89.9 -9.7 8.8 54.2 39.6 63 63 A S S << S- 0 0 3 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.666 81.9-141.3 -60.6 -32.5 12.3 53.7 41.3 64 64 A M + 0 0 108 -3,-0.4 2,-0.5 -4,-0.3 271,-0.1 0.761 61.1 126.8 67.2 24.7 14.2 55.6 38.6 65 65 A I - 0 0 8 -5,-0.4 -1,-0.2 1,-0.1 267,-0.2 -0.965 38.8-176.1-108.1 125.3 17.0 52.9 39.0 66 66 A K - 0 0 112 266,-3.0 -33,-2.7 -2,-0.5 -32,-0.5 0.715 69.3 -9.3 -87.8 -38.0 18.1 51.2 35.8 67 67 A R E -I 32 0B 55 265,-1.6 -1,-0.3 -35,-0.3 2,-0.3 -0.984 55.2-158.1-157.2 159.0 20.5 48.7 37.4 68 68 A R E -I 31 0B 2 -37,-1.7 -37,-3.4 -2,-0.3 2,-0.4 -0.958 21.9-124.9-136.9 157.4 22.2 47.9 40.7 69 69 A Y E -I 30 0B 53 265,-0.5 148,-2.6 148,-0.4 2,-0.4 -0.868 32.3-173.3-105.6 123.8 25.4 45.9 41.5 70 70 A M - 0 0 10 -41,-2.3 -41,-0.2 -2,-0.4 123,-0.1 -0.956 31.6-156.1-131.1 125.4 24.8 43.0 44.0 71 71 A Y S S+ 0 0 60 -2,-0.4 2,-0.2 -43,-0.1 -1,-0.1 0.874 81.7 85.8 -56.1 -41.8 27.1 40.6 45.7 72 72 A L - 0 0 6 -3,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.461 62.8-178.2 -66.8 136.9 24.2 38.2 46.0 73 73 A T > - 0 0 41 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.796 43.6 -99.9-123.6 176.4 23.7 36.0 43.0 74 74 A E H > S+ 0 0 123 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.916 123.6 51.7 -64.4 -41.4 21.2 33.4 42.0 75 75 A E H > S+ 0 0 137 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.940 110.4 46.8 -62.4 -47.0 23.7 30.7 43.0 76 76 A I H 4 S+ 0 0 30 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.942 112.9 50.1 -60.4 -44.3 24.3 32.2 46.5 77 77 A L H >< S+ 0 0 7 -4,-2.5 3,-1.3 1,-0.2 7,-0.2 0.889 105.6 56.5 -62.8 -36.8 20.5 32.6 47.0 78 78 A K H 3< S+ 0 0 183 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 107.9 48.6 -67.7 -23.7 19.9 28.9 46.0 79 79 A E T 3< S+ 0 0 130 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.507 113.8 50.4 -88.8 -4.8 22.3 27.9 48.8 80 80 A N X> + 0 0 32 -3,-1.3 3,-1.2 -4,-0.4 4,-1.2 -0.510 55.0 161.0-134.1 68.2 20.6 30.1 51.3 81 81 A P H 3> S+ 0 0 80 0, 0.0 4,-0.8 0, 0.0 3,-0.1 0.843 77.0 63.9 -56.7 -31.4 16.8 29.6 51.3 82 82 A N H 34 S+ 0 0 67 1,-0.2 6,-0.5 2,-0.2 3,-0.5 0.860 100.6 51.5 -66.8 -26.6 16.6 31.2 54.8 83 83 A V H <4 S+ 0 0 1 -3,-1.2 117,-0.3 1,-0.2 -1,-0.2 0.778 106.0 56.9 -77.1 -28.5 17.8 34.5 53.2 84 84 A C H < S+ 0 0 12 -4,-1.2 -1,-0.2 -7,-0.2 -2,-0.2 0.649 92.3 82.7 -76.6 -15.0 15.1 34.2 50.5 85 85 A E S < S- 0 0 105 -4,-0.8 115,-1.2 -3,-0.5 3,-0.4 -0.556 88.1-118.5 -81.3 162.3 12.2 34.0 53.1 86 86 A Y S S+ 0 0 35 113,-0.3 2,-0.2 115,-0.3 -1,-0.1 0.897 102.1 9.4 -63.0 -46.8 10.7 37.2 54.5 87 87 A M S S+ 0 0 89 112,-0.1 -1,-0.2 2,-0.0 -4,-0.1 -0.582 83.9 131.4-143.0 83.5 11.7 36.2 58.1 88 88 A A - 0 0 6 -6,-0.5 3,-0.0 -3,-0.4 -3,-0.0 -0.971 65.4 -86.3-130.3 150.7 14.0 33.2 58.8 89 89 A P S S+ 0 0 90 0, 0.0 172,-0.3 0, 0.0 171,-0.1 -0.244 72.5 128.8 -55.2 117.1 17.1 32.7 60.9 90 90 A S > + 0 0 8 170,-2.9 4,-2.3 169,-0.1 171,-0.2 0.379 22.4 110.5-160.7 7.4 19.9 33.8 58.7 91 91 A L H > S+ 0 0 35 169,-2.9 4,-3.4 1,-0.2 5,-0.2 0.867 80.7 54.8 -62.6 -38.4 22.2 36.3 60.4 92 92 A D H > S+ 0 0 129 168,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.932 111.5 44.7 -60.5 -46.9 25.1 33.9 60.7 93 93 A A H > S+ 0 0 29 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.880 115.6 47.4 -62.4 -43.0 25.0 33.2 56.9 94 94 A R H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.919 110.8 51.3 -67.1 -41.4 24.6 36.9 56.1 95 95 A Q H X S+ 0 0 37 -4,-3.4 4,-2.9 1,-0.2 5,-0.3 0.930 105.3 56.6 -60.0 -42.7 27.5 37.9 58.5 96 96 A D H X S+ 0 0 115 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.885 110.8 45.4 -58.7 -37.9 29.8 35.4 56.9 97 97 A M H >X S+ 0 0 14 -4,-1.4 4,-2.8 -3,-0.2 3,-0.5 0.965 118.8 37.8 -68.0 -53.8 29.1 37.1 53.5 98 98 A V H 3X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.783 103.0 67.1 -81.0 -21.3 29.6 40.7 54.5 99 99 A V H 3< S+ 0 0 44 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.1 0.877 117.7 29.7 -62.8 -33.9 32.4 40.3 57.0 100 100 A V H S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.872 116.7 54.7 -63.1 -35.7 36.4 45.0 53.4 104 104 A R H X S+ 0 0 83 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.955 113.8 40.0 -60.9 -50.0 37.1 43.3 50.0 105 105 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.910 114.5 54.0 -68.1 -35.3 34.9 45.8 48.1 106 106 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.4 -1,-0.2 0.880 104.5 55.5 -64.7 -39.0 36.3 48.7 50.3 107 107 A K H X S+ 0 0 77 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.901 104.6 53.1 -63.3 -39.0 39.8 47.7 49.4 108 108 A E H X S+ 0 0 79 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.894 113.1 42.8 -63.4 -45.9 39.1 48.0 45.7 109 109 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 112,-0.2 0.886 114.4 51.3 -64.5 -42.6 37.7 51.5 46.1 110 110 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.907 105.9 53.6 -62.6 -40.1 40.5 52.5 48.4 111 111 A V H X S+ 0 0 73 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.916 109.3 50.3 -63.8 -39.5 43.3 51.3 46.1 112 112 A K H X S+ 0 0 112 -4,-1.4 4,-2.3 -5,-0.2 5,-0.2 0.939 112.0 46.5 -63.3 -44.0 41.7 53.5 43.3 113 113 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.914 112.2 50.6 -64.6 -39.5 41.6 56.5 45.6 114 114 A I H X S+ 0 0 22 -4,-2.8 4,-2.5 1,-0.2 5,-0.4 0.934 109.4 50.8 -66.0 -37.7 45.2 56.0 46.8 115 115 A K H < S+ 0 0 171 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 111.3 47.8 -65.9 -44.1 46.4 55.7 43.2 116 116 A E H < S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.925 110.6 51.6 -60.0 -47.3 44.7 58.9 42.2 117 117 A W H < S- 0 0 9 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.944 92.8-158.5 -55.7 -44.0 46.2 60.7 45.3 118 118 A G < + 0 0 53 -4,-2.5 -3,-0.1 1,-0.3 -1,-0.1 0.472 46.4 115.0 83.0 0.3 49.6 59.4 44.2 119 119 A Q S S- 0 0 48 -5,-0.4 -1,-0.3 1,-0.1 2,-0.1 -0.598 77.6 -75.8-102.7 164.4 51.3 59.6 47.6 120 120 A P > - 0 0 67 0, 0.0 3,-2.4 0, 0.0 4,-0.1 -0.411 30.8-134.8 -58.5 138.7 52.7 56.8 49.8 121 121 A K G > S+ 0 0 85 1,-0.3 3,-1.9 2,-0.2 30,-0.4 0.734 103.7 72.3 -67.5 -18.4 50.1 54.8 51.6 122 122 A S G 3 S+ 0 0 52 1,-0.3 -1,-0.3 28,-0.1 28,-0.0 0.632 86.1 65.2 -68.5 -14.1 52.4 55.1 54.7 123 123 A K G < S+ 0 0 128 -3,-2.4 2,-0.6 61,-0.0 -1,-0.3 0.457 73.7 108.3 -85.5 -3.7 51.4 58.8 54.8 124 124 A I < + 0 0 3 -3,-1.9 27,-0.3 1,-0.2 62,-0.2 -0.671 40.9 171.2 -76.8 118.8 47.8 57.8 55.7 125 125 A T + 0 0 45 60,-2.1 30,-2.6 -2,-0.6 2,-0.3 0.649 58.8 35.2-101.7 -25.9 47.4 58.7 59.3 126 126 A H E -cd 155 186A 7 59,-1.7 61,-2.7 28,-0.2 2,-0.4 -0.979 60.3-163.1-133.7 145.9 43.7 58.1 59.9 127 127 A L E -cd 156 187A 0 28,-2.8 30,-2.0 -2,-0.3 2,-0.5 -0.991 2.2-171.6-134.4 122.6 41.2 55.6 58.6 128 128 A I E -cd 157 188A 0 59,-2.9 61,-2.7 -2,-0.4 2,-0.4 -0.970 7.4-175.0-111.1 123.2 37.4 55.9 58.7 129 129 A V E -cd 158 189A 0 28,-2.5 30,-3.4 -2,-0.5 2,-0.4 -0.987 3.0-174.9-116.9 135.8 35.4 52.9 57.7 130 130 A C E +cd 159 190A 0 59,-2.8 61,-2.6 -2,-0.4 2,-0.3 -0.991 13.0 149.6-133.7 131.5 31.6 53.0 57.5 131 131 A T E -c 160 0A 0 28,-2.2 30,-1.3 -2,-0.4 31,-0.3 -0.961 35.1-162.8-154.3 147.7 29.1 50.3 56.8 132 132 A T S S+ 0 0 19 -2,-0.3 2,-0.8 29,-0.2 60,-0.1 0.308 76.1 92.3-104.7 11.5 25.5 49.4 57.6 133 133 A S S S- 0 0 8 58,-0.4 -31,-0.1 -35,-0.1 -1,-0.1 -0.808 94.5 -37.5-116.8 92.3 26.2 45.8 56.5 134 134 A G - 0 0 3 -2,-0.8 27,-0.3 -32,-0.0 2,-0.3 0.105 55.8-125.0 82.0 164.9 27.3 43.5 59.3 135 135 A V + 0 0 52 25,-0.1 2,-0.3 4,-0.1 -36,-0.1 -0.983 27.1 165.0-142.7 153.7 29.6 43.9 62.4 136 136 A D - 0 0 70 -2,-0.3 4,-0.2 -37,-0.0 0, 0.0 -0.976 34.6 -99.1-162.7 160.5 32.6 42.1 63.7 137 137 A M S S+ 0 0 172 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 -0.951 115.3 32.3-121.3 136.8 35.5 42.4 66.2 138 138 A P S S- 0 0 74 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 0.527 112.2-139.3 -32.0 143.2 38.3 43.3 65.0 139 139 A G >> - 0 0 7 -2,-0.3 4,-2.1 1,-0.1 3,-0.6 -0.069 25.4 -84.0 -79.6-175.0 36.2 45.3 62.6 140 140 A A H 3> S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.735 125.3 65.4 -62.4 -26.3 36.4 46.1 58.9 141 141 A D H 3> S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 104.2 43.5 -60.7 -46.2 38.8 48.9 59.8 142 142 A Y H <> S+ 0 0 103 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.931 113.7 52.3 -66.0 -45.2 41.3 46.3 61.0 143 143 A Q H X S+ 0 0 48 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.932 110.9 46.4 -58.3 -46.4 40.6 44.2 57.9 144 144 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 6,-0.3 0.884 108.8 54.9 -66.1 -34.1 41.2 47.1 55.6 145 145 A T H X>S+ 0 0 16 -4,-2.1 5,-1.8 -5,-0.2 4,-1.0 0.954 114.5 42.3 -58.8 -46.2 44.4 48.1 57.4 146 146 A K H ><5S+ 0 0 145 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.976 115.1 47.7 -65.3 -52.7 45.6 44.6 56.8 147 147 A L H 3<5S+ 0 0 68 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 119.4 39.0 -59.7 -39.4 44.4 44.3 53.2 148 148 A L H 3<5S- 0 0 14 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.550 105.3-123.2 -86.9 -14.8 45.9 47.6 52.2 149 149 A G T <<5 + 0 0 31 -4,-1.0 -3,-0.2 -3,-0.8 -4,-0.1 0.889 47.8 170.0 70.6 39.9 49.1 47.4 54.1 150 150 A L < - 0 0 9 -5,-1.8 -1,-0.1 -6,-0.3 -28,-0.1 -0.406 47.6 -80.7 -73.4 167.2 48.5 50.6 56.0 151 151 A R > - 0 0 90 -30,-0.4 3,-1.9 -27,-0.3 -1,-0.1 -0.332 36.6-124.4 -65.9 145.9 50.8 51.4 58.9 152 152 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.743 109.7 60.7 -66.2 -16.6 49.8 49.5 62.1 153 153 A Y T 3 S+ 0 0 169 2,-0.1 2,-0.1 -27,-0.0 -2,-0.1 0.196 70.7 133.5 -96.8 15.6 49.6 52.9 63.9 154 154 A V < - 0 0 7 -3,-1.9 2,-0.7 1,-0.1 -28,-0.2 -0.432 63.7-119.3 -62.9 138.9 46.9 54.3 61.6 155 155 A K E -c 126 0A 113 -30,-2.6 -28,-2.8 -2,-0.1 2,-0.2 -0.732 36.2-152.4 -88.7 115.7 44.2 55.9 63.8 156 156 A R E -c 127 0A 110 -2,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.587 23.6-172.9-103.2 146.1 41.0 54.1 63.1 157 157 A Y E -c 128 0A 73 -30,-2.0 -28,-2.5 -2,-0.2 2,-0.8 -0.922 13.3-161.4-134.4 104.3 37.3 55.1 63.3 158 158 A M E -c 129 0A 55 -2,-0.4 2,-0.8 -30,-0.2 -28,-0.2 -0.823 4.0-167.6 -97.9 105.7 34.9 52.1 62.8 159 159 A M E +c 130 0A 13 -30,-3.4 -28,-2.2 -2,-0.8 2,-0.3 -0.857 15.4 177.1 -96.2 101.8 31.4 53.4 61.9 160 160 A Y E +c 131 0A 51 -2,-0.8 -28,-0.2 -30,-0.2 -25,-0.1 -0.863 54.4 2.0-108.6 148.9 29.0 50.5 62.2 161 161 A Q S S+ 0 0 63 -30,-1.3 -29,-0.2 -27,-0.3 -1,-0.2 0.847 80.1 136.7 53.0 44.3 25.2 50.3 61.7 162 162 A Q - 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