==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUL-04 1U0W . COMPND 2 MOLECULE: CHALCONE SYNTHASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR M.B.AUSTIN,M.E.BOWMAN,J.-L.FERRER,J.SCHRODER,J.P.NOEL . 1552 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1146 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 14.4 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 5 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 . 75 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 176 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 503 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.7 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 7 1 3 0 8 6 4 4 1 3 3 5 0 4 0 0 0 0 0 0 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 4 4 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 . 4 10 4 0 1 2 4 10 2 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 . 7 3 0 0 0 0 0 4 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 0 105 0, 0.0 2,-0.3 0, 0.0 677,-0.0 0.000 360.0 360.0 360.0 114.3 -12.0 44.3 11.4 2 3 A S >> - 0 0 44 1,-0.1 4,-2.4 0, 0.0 3,-0.6 -0.806 360.0-125.6-110.8 151.3 -11.5 45.0 7.7 3 4 A V H 3> S+ 0 0 8 -2,-0.3 4,-2.5 1,-0.3 5,-0.1 0.865 113.9 56.9 -57.8 -36.9 -8.8 47.1 5.9 4 5 A S H 3> S+ 0 0 93 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.845 108.6 46.1 -63.4 -35.9 -11.7 49.0 4.2 5 6 A E H <> S+ 0 0 123 -3,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.915 110.9 51.2 -72.7 -46.4 -13.0 49.9 7.6 6 7 A I H X S+ 0 0 41 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.917 107.0 55.2 -56.3 -46.7 -9.7 50.9 9.0 7 8 A R H X S+ 0 0 8 -4,-2.5 4,-1.6 1,-0.2 3,-0.5 0.933 105.3 51.3 -53.6 -54.6 -9.0 53.2 6.0 8 9 A K H < S+ 0 0 175 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.857 116.5 39.4 -52.5 -42.9 -12.2 55.2 6.4 9 10 A A H < S+ 0 0 68 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.683 112.7 59.5 -83.5 -16.7 -11.5 55.9 10.1 10 11 A Q H < S+ 0 0 33 -4,-1.7 171,-2.9 -3,-0.5 -2,-0.2 0.753 89.4 80.5 -83.3 -27.6 -7.8 56.5 9.6 11 12 A R S < S- 0 0 30 -4,-1.6 168,-0.2 169,-0.3 169,-0.2 -0.438 75.1-120.3 -86.0 158.7 -7.8 59.4 7.1 12 13 A A - 0 0 3 166,-1.0 169,-0.2 165,-0.1 -1,-0.1 -0.261 17.8-138.4 -82.4 177.1 -8.3 63.1 7.7 13 14 A E + 0 0 140 167,-0.1 -1,-0.1 2,-0.1 165,-0.1 0.865 66.3 39.9-107.0 -54.6 -11.1 65.0 6.2 14 15 A G S S- 0 0 13 1,-0.2 -2,-0.1 382,-0.0 3,-0.1 -0.234 91.6 -63.9 -96.9-176.5 -10.1 68.5 4.9 15 16 A P - 0 0 16 0, 0.0 211,-0.4 0, 0.0 2,-0.2 -0.291 60.0 -95.6 -65.1 145.5 -7.2 70.2 3.0 16 17 A A - 0 0 0 222,-0.3 222,-2.8 209,-0.2 2,-0.4 -0.465 49.8-161.8 -61.0 129.2 -3.7 70.3 4.7 17 18 A T E -AB 224 237A 1 207,-2.1 207,-2.1 220,-0.2 2,-0.8 -0.897 21.5-125.1-121.9 144.6 -3.5 73.7 6.4 18 19 A I E +AB 223 236A 0 218,-3.3 217,-2.2 -2,-0.4 218,-0.9 -0.820 29.0 177.4 -88.6 113.3 -0.6 75.7 7.7 19 20 A L E + 0 0 0 203,-2.6 214,-0.4 -2,-0.8 2,-0.3 0.577 60.7 1.1 -90.2 -17.9 -1.3 76.4 11.4 20 21 A A E -A 222 0A 0 202,-0.9 202,-1.4 212,-0.1 2,-0.3 -0.977 53.8-159.0-167.9 158.0 1.9 78.3 12.3 21 22 A I E +A 221 0A 4 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.983 12.5 172.7-146.6 134.2 5.2 79.6 11.0 22 23 A G E -A 220 0A 5 198,-2.1 198,-2.9 -2,-0.3 2,-0.3 -0.998 8.3-166.2-143.6 142.8 8.4 80.5 12.8 23 24 A T E -A 219 0A 17 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.855 4.5-175.4-127.5 165.4 11.9 81.4 11.6 24 25 A A E -A 218 0A 2 194,-2.1 194,-2.3 -2,-0.3 84,-0.1 -0.988 2.4-170.7-156.7 149.1 15.5 81.8 13.0 25 26 A N - 0 0 28 -2,-0.3 192,-0.1 192,-0.2 44,-0.1 -0.975 37.3 -92.4-140.8 155.3 18.9 82.9 11.8 26 27 A P - 0 0 4 0, 0.0 44,-0.1 0, 0.0 190,-0.1 -0.266 39.8-119.4 -60.3 158.1 22.4 82.8 13.2 27 28 A A S S+ 0 0 99 41,-0.1 2,-0.8 43,-0.1 43,-0.1 0.815 87.6 96.2 -71.9 -32.1 23.3 86.0 15.1 28 29 A N - 0 0 56 41,-0.3 41,-3.1 40,-0.1 2,-0.6 -0.472 60.5-165.6 -67.5 104.6 26.2 87.0 12.9 29 30 A C E -I 68 0B 53 -2,-0.8 2,-0.5 39,-0.2 39,-0.2 -0.825 1.9-162.5 -96.7 120.2 24.8 89.5 10.4 30 31 A V E -I 67 0B 17 37,-3.3 37,-2.1 -2,-0.6 2,-0.2 -0.904 13.7-136.4-107.3 121.3 27.0 90.3 7.4 31 32 A E E -I 66 0B 78 -2,-0.5 35,-0.3 35,-0.2 3,-0.3 -0.515 8.4-142.4 -73.0 140.2 26.2 93.5 5.4 32 33 A Q S > S+ 0 0 4 33,-2.7 3,-1.4 1,-0.2 34,-0.1 0.865 92.3 65.0 -71.2 -38.2 26.4 92.9 1.6 33 34 A S T 3 S+ 0 0 75 32,-0.5 -1,-0.2 1,-0.3 33,-0.1 0.836 113.0 32.6 -56.7 -34.9 28.0 96.3 0.7 34 35 A T T 3> S+ 0 0 78 -3,-0.3 4,-1.6 1,-0.1 -1,-0.3 0.264 90.3 101.6-106.3 12.6 31.2 95.5 2.5 35 36 A Y H <> S+ 0 0 2 -3,-1.4 4,-3.8 1,-0.2 5,-0.2 0.909 72.7 59.6 -64.9 -43.4 31.3 91.7 1.9 36 37 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.905 107.9 47.0 -50.9 -44.6 33.8 91.7 -0.9 37 38 A D H > S+ 0 0 74 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.933 116.7 43.3 -61.9 -48.2 36.4 93.3 1.3 38 39 A F H X S+ 0 0 53 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.928 117.7 46.7 -63.0 -46.3 35.7 90.9 4.2 39 40 A Y H X S+ 0 0 0 -4,-3.8 4,-2.0 1,-0.2 6,-0.2 0.987 110.4 46.6 -61.7 -67.5 35.5 87.9 1.9 40 41 A F H <>S+ 0 0 0 -4,-2.3 5,-3.7 1,-0.2 6,-0.5 0.706 116.4 50.1 -52.0 -20.2 38.7 88.3 -0.3 41 42 A K H ><5S+ 0 0 124 -4,-0.9 3,-2.1 -5,-0.3 5,-0.2 0.946 108.0 46.7 -83.3 -55.8 40.6 89.0 3.0 42 43 A I H 3<5S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.1 0.771 116.1 50.5 -58.1 -24.4 39.5 86.1 5.1 43 44 A T T 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.091 114.0-119.3-104.5 31.9 40.2 84.0 2.0 44 45 A N T < 5S+ 0 0 135 -3,-2.1 -3,-0.2 1,-0.2 3,-0.2 0.733 79.5 122.3 33.4 44.6 43.7 85.5 1.5 45 46 A S > < + 0 0 11 -5,-3.7 3,-1.6 -6,-0.2 -4,-0.2 0.120 23.6 120.9-114.1 15.9 42.8 86.8 -1.9 46 47 A E T 3 S+ 0 0 106 -6,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.809 73.0 57.2 -48.9 -33.6 43.6 90.4 -1.1 47 48 A H T 3 S+ 0 0 140 1,-0.2 2,-0.7 -3,-0.2 -1,-0.3 0.732 86.4 73.1 -73.8 -26.8 46.1 90.4 -3.9 48 49 A K X> + 0 0 65 -3,-1.6 3,-1.8 1,-0.2 4,-1.4 -0.098 60.9 164.6 -83.0 40.7 43.7 89.4 -6.8 49 50 A T H 3> + 0 0 94 -2,-0.7 4,-0.6 -3,-0.4 -1,-0.2 0.646 66.7 60.6 -27.7 -34.9 42.3 92.9 -6.7 50 51 A E H >> S+ 0 0 134 -3,-0.2 4,-1.5 2,-0.2 3,-1.3 0.956 105.3 43.4 -66.5 -50.4 40.7 92.3 -10.1 51 52 A L H <> S+ 0 0 0 -3,-1.8 4,-2.0 1,-0.3 -2,-0.2 0.858 107.5 61.9 -63.7 -32.6 38.5 89.4 -9.0 52 53 A K H 3X S+ 0 0 36 -4,-1.4 4,-1.1 1,-0.2 -1,-0.3 0.724 104.2 50.5 -63.1 -20.8 37.7 91.3 -5.9 53 54 A E H < S+ 0 0 95 -4,-1.5 3,-0.6 -5,-0.2 -2,-0.2 0.864 112.5 43.7 -77.1 -38.4 25.9 95.0 -5.9 61 62 A K H 3< S+ 0 0 109 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.601 94.3 87.4 -80.0 -11.6 23.6 93.4 -8.5 62 63 A S T 3< S- 0 0 3 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.1 0.735 84.0-141.0 -60.4 -28.4 22.5 90.8 -6.0 63 64 A M < + 0 0 115 -3,-0.6 2,-0.5 -4,-0.3 271,-0.1 0.725 61.4 126.6 68.8 22.6 19.6 92.9 -4.5 64 65 A I - 0 0 9 -5,-0.5 -1,-0.3 1,-0.1 267,-0.2 -0.947 41.7-173.0-112.6 130.1 20.7 91.5 -1.0 65 66 A K - 0 0 113 266,-3.0 -33,-2.7 -2,-0.5 -32,-0.5 0.751 67.9 -22.2 -91.7 -28.1 21.4 94.0 1.8 66 67 A R E -I 31 0B 50 265,-1.2 -1,-0.3 -35,-0.3 2,-0.3 -0.980 52.8-151.3-172.9 165.8 22.7 91.4 4.3 67 68 A R E -I 30 0B 1 -37,-2.1 -37,-3.3 -2,-0.3 2,-0.5 -0.918 22.6-118.3-141.9 164.1 22.7 87.8 5.4 68 69 A Y E -I 29 0B 50 265,-0.4 148,-2.1 148,-0.4 2,-0.5 -0.938 32.3-170.2-110.6 128.5 23.1 85.9 8.6 69 70 A M - 0 0 7 -41,-3.1 -41,-0.3 -2,-0.5 123,-0.1 -0.971 29.4-162.7-128.9 127.2 26.1 83.6 8.8 70 71 A Y S S+ 0 0 42 -2,-0.5 2,-0.5 -43,-0.1 -1,-0.1 0.872 80.1 87.4 -64.5 -40.2 27.1 80.9 11.3 71 72 A L - 0 0 5 -3,-0.1 2,-0.2 4,-0.1 -2,-0.1 -0.506 67.3-171.0 -66.2 115.2 30.6 81.1 9.8 72 73 A T > - 0 0 42 -2,-0.5 4,-2.6 1,-0.1 5,-0.3 -0.666 38.3-106.6-104.7 162.6 32.4 83.9 11.7 73 74 A E H > S+ 0 0 117 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.926 122.2 51.3 -52.4 -45.8 35.7 85.5 11.0 74 75 A E H > S+ 0 0 150 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.916 108.4 49.6 -57.2 -50.6 37.1 83.6 14.0 75 76 A I H >> S+ 0 0 27 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.943 109.6 50.3 -57.3 -49.1 35.8 80.2 12.9 76 77 A L H 3< S+ 0 0 3 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.856 106.5 58.4 -58.6 -31.5 37.1 80.5 9.4 77 78 A K H 3< S+ 0 0 165 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.881 105.9 47.2 -65.3 -38.5 40.4 81.4 11.1 78 79 A E H << S+ 0 0 142 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.674 113.9 52.1 -75.1 -17.9 40.4 78.1 12.9 79 80 A N >X + 0 0 39 -4,-1.2 3,-1.3 -3,-0.3 4,-0.7 -0.564 60.7 166.5-122.6 70.4 39.5 76.3 9.6 80 81 A P T 34 S+ 0 0 79 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.756 75.3 60.0 -51.0 -34.4 42.1 77.4 7.0 81 82 A N T >4 S+ 0 0 78 1,-0.2 3,-1.1 2,-0.2 6,-0.6 0.824 97.7 56.9 -70.4 -29.7 41.1 74.6 4.6 82 83 A V T <4 S+ 0 0 1 -3,-1.3 117,-0.3 1,-0.2 -1,-0.2 0.770 102.9 58.3 -70.5 -21.2 37.5 75.8 4.4 83 84 A C T 3< S+ 0 0 16 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.453 91.3 85.3 -86.4 -3.3 38.9 79.2 3.2 84 85 A E S < S- 0 0 105 -3,-1.1 115,-2.4 -4,-0.2 3,-0.1 -0.427 86.9-119.1 -88.4 170.2 40.7 77.6 0.2 85 86 A Y S S- 0 0 42 113,-0.2 -1,-0.1 1,-0.2 116,-0.1 0.892 99.2 -1.4 -78.8 -39.7 38.9 77.1 -3.1 86 87 A M S S+ 0 0 82 2,-0.1 -1,-0.2 112,-0.0 -4,-0.1 -0.321 87.4 130.5-153.1 64.8 39.3 73.3 -3.1 87 88 A A S S- 0 0 17 -6,-0.6 2,-0.2 173,-0.2 3,-0.1 -0.840 71.6 -77.2-115.3 155.5 41.2 71.7 -0.2 88 89 A P S S+ 0 0 71 0, 0.0 172,-0.3 0, 0.0 -7,-0.1 -0.301 75.0 133.3 -51.4 110.7 40.2 68.7 1.9 89 90 A S >> + 0 0 3 170,-2.0 4,-2.5 -2,-0.2 3,-0.6 0.431 27.6 104.6-142.6 -4.5 37.6 70.3 4.3 90 91 A L H 3> S+ 0 0 2 169,-2.9 4,-2.9 1,-0.2 5,-0.2 0.884 81.4 53.9 -49.8 -49.6 34.6 68.0 4.4 91 92 A D H 3> S+ 0 0 64 168,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.873 110.6 46.6 -57.8 -38.0 35.4 66.6 7.9 92 93 A A H <> S+ 0 0 30 -3,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.940 113.3 50.0 -68.6 -44.0 35.6 70.1 9.4 93 94 A R H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.884 105.0 56.1 -60.9 -41.5 32.4 71.1 7.7 94 95 A Q H X S+ 0 0 3 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.873 103.2 55.3 -60.4 -38.2 30.5 68.1 8.9 95 96 A A H X S+ 0 0 53 -4,-1.3 4,-0.9 -5,-0.2 -1,-0.2 0.913 110.1 46.6 -61.8 -40.8 31.3 68.9 12.5 96 97 A M H >X S+ 0 0 11 -4,-1.4 4,-2.7 1,-0.2 3,-0.8 0.953 113.9 46.4 -66.6 -49.8 29.8 72.4 12.0 97 98 A L H 3X S+ 0 0 3 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.877 103.8 63.0 -60.8 -38.4 26.7 71.2 10.3 98 99 A A H 3< S+ 0 0 34 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.824 116.5 30.1 -57.1 -31.8 26.1 68.5 12.9 99 100 A M H S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.886 116.4 53.3 -67.9 -37.7 19.8 71.1 14.3 103 104 A R H X S+ 0 0 105 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.914 113.8 40.8 -62.6 -45.1 20.3 74.0 16.7 104 105 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.870 114.9 54.1 -69.5 -37.3 19.0 76.6 14.3 105 106 A G H X S+ 0 0 1 -4,-1.8 4,-2.4 -5,-0.4 -2,-0.2 0.886 107.3 48.4 -65.3 -41.9 16.2 74.3 13.3 106 107 A K H X S+ 0 0 80 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.907 108.1 56.8 -64.6 -40.2 15.0 73.7 16.9 107 108 A E H X S+ 0 0 66 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.917 111.0 41.7 -58.9 -43.5 15.1 77.5 17.4 108 109 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 112,-0.3 0.900 114.3 53.3 -70.2 -39.7 12.7 78.0 14.4 109 110 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.922 104.6 53.9 -62.1 -44.7 10.5 75.0 15.5 110 111 A V H X S+ 0 0 71 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.928 108.7 49.9 -55.6 -43.8 10.1 76.3 19.1 111 112 A K H X S+ 0 0 91 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.907 111.2 49.1 -62.1 -39.6 8.8 79.6 17.7 112 113 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.926 110.6 49.9 -65.2 -44.0 6.3 77.7 15.4 113 114 A I H X S+ 0 0 24 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.882 108.3 53.5 -62.8 -39.4 5.1 75.6 18.3 114 115 A K H < S+ 0 0 148 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.950 110.0 46.2 -63.6 -49.5 4.5 78.6 20.5 115 116 A E H < S+ 0 0 45 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.943 112.0 53.1 -56.3 -46.6 2.4 80.3 17.8 116 117 A W H < S- 0 0 2 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.901 92.7-155.3 -54.2 -49.2 0.5 77.0 17.4 117 118 A G < + 0 0 55 -4,-2.7 -3,-0.1 1,-0.3 -1,-0.1 0.236 49.8 110.3 92.2 -13.4 -0.2 76.8 21.1 118 119 A Q S S- 0 0 53 -5,-0.3 -1,-0.3 1,-0.1 2,-0.1 -0.477 79.9 -84.5 -92.4 164.7 -0.7 73.0 21.5 119 120 A P > - 0 0 72 0, 0.0 3,-2.8 0, 0.0 4,-0.2 -0.422 31.1-127.3 -66.9 142.1 1.7 70.7 23.4 120 121 A K G > S+ 0 0 97 1,-0.3 3,-2.0 2,-0.2 30,-0.3 0.729 107.8 78.2 -61.7 -14.8 4.5 69.5 21.2 121 122 A S G 3 S+ 0 0 42 1,-0.3 -1,-0.3 28,-0.1 29,-0.0 0.760 83.1 64.1 -63.8 -22.8 3.3 66.0 22.3 122 123 A 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117.4 31.0 -58.0 -36.2 59.2 13.5 52.3 1266 100 D M H X S+ 0 0 125 -4,-1.0 4,-1.8 -3,-0.3 -2,-0.2 0.928 122.6 41.5 -88.0 -54.4 59.3 16.3 54.9 1267 101 D E H X S+ 0 0 13 -4,-2.9 4,-2.9 2,-0.2 5,-0.4 0.855 105.2 57.4 -70.0 -40.9 58.2 19.4 53.1 1268 102 D V H X S+ 0 0 7 -4,-1.5 4,-2.4 -5,-0.3 5,-0.2 0.962 114.8 39.5 -56.2 -52.5 55.4 18.4 50.8 1269 103 D P H > S+ 0 0 6 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.920 116.8 50.8 -65.0 -42.0 53.3 17.1 53.7 1270 104 D R H X S+ 0 0 98 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.960 115.5 40.8 -59.3 -51.8 54.3 19.9 56.1 1271 105 D L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.890 115.2 52.8 -64.3 -40.0 53.4 22.7 53.6 1272 106 D G H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.4 -1,-0.2 0.905 108.6 49.4 -63.2 -41.0 50.3 20.8 52.6 1273 107 D K H X S+ 0 0 77 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.931 106.8 56.7 -63.2 -44.4 49.1 20.4 56.2 1274 108 D E H X S+ 0 0 72 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.925 110.3 43.1 -53.2 -48.7 49.6 24.1 56.7 1275 109 D A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 112,-0.3 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