==== 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 1U0V . 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 . 768 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 14.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 34 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 0 4 3 3 1 1 1 2 2 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 4 2 0 0 2 2 4 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 . 2 2 0 0 0 0 0 2 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 0 120 0, 0.0 2,-0.2 0, 0.0 669,-0.0 0.000 360.0 360.0 360.0 156.5 -14.3 29.9 69.2 2 3 A S > - 0 0 62 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.596 360.0-117.8 -98.4 161.5 -13.8 29.4 65.5 3 4 A V H > S+ 0 0 13 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.837 114.0 59.5 -64.7 -33.2 -12.3 26.4 63.7 4 5 A S H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 105.7 45.9 -61.3 -46.8 -9.5 28.6 62.4 5 6 A E H > S+ 0 0 119 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.870 113.1 51.5 -65.3 -36.4 -8.4 29.6 65.9 6 7 A I H X S+ 0 0 34 -4,-1.7 4,-0.7 2,-0.2 3,-0.3 0.945 110.2 47.5 -65.4 -48.9 -8.5 25.9 66.9 7 8 A R H >X S+ 0 0 7 -4,-2.7 4,-1.4 1,-0.2 3,-0.9 0.895 108.3 55.8 -60.0 -43.0 -6.4 24.7 64.0 8 9 A K H 3< S+ 0 0 137 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 112.3 41.6 -59.8 -35.2 -3.8 27.4 64.5 9 10 A A H 3< S+ 0 0 75 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.497 110.2 61.3 -90.6 -5.0 -3.2 26.3 68.1 10 11 A Q H << S+ 0 0 30 -3,-0.9 171,-2.9 -4,-0.7 -2,-0.2 0.785 84.8 86.5 -92.4 -31.2 -3.3 22.6 67.3 11 12 A R < - 0 0 50 -4,-1.4 169,-0.2 169,-0.3 168,-0.2 -0.326 68.4-129.5 -77.8 153.7 -0.4 22.3 64.8 12 13 A A - 0 0 3 166,-1.0 169,-0.1 169,-0.1 -1,-0.1 -0.355 15.5-142.5 -86.8 175.0 3.3 21.6 65.6 13 14 A E + 0 0 156 -2,-0.1 -1,-0.1 167,-0.1 165,-0.1 0.863 63.0 46.0-109.1 -54.7 6.1 23.8 64.1 14 15 A G S S- 0 0 16 1,-0.2 2,-0.1 3,-0.0 -2,-0.1 -0.159 89.1 -70.9 -88.4-177.0 9.3 22.0 63.0 15 16 A P - 0 0 58 0, 0.0 211,-0.4 0, 0.0 -1,-0.2 -0.386 56.3 -94.7 -73.2 148.1 10.2 18.8 61.1 16 17 A A - 0 0 0 209,-0.1 222,-2.6 222,-0.1 2,-0.4 -0.391 47.5-165.4 -62.8 134.5 9.7 15.4 62.6 17 18 A T E -AB 224 237A 1 207,-1.9 207,-2.3 220,-0.2 2,-0.6 -0.964 23.3-124.7-129.8 142.3 12.8 14.1 64.3 18 19 A I E +AB 223 236A 0 218,-2.6 217,-2.4 -2,-0.4 218,-0.8 -0.753 29.3 176.6 -83.5 122.6 14.0 10.7 65.6 19 20 A L E + 0 0 3 203,-3.1 214,-0.4 -2,-0.6 2,-0.3 0.541 60.2 5.4-105.9 -11.3 14.8 11.1 69.3 20 21 A A E -A 222 0A 0 202,-0.7 202,-1.3 212,-0.1 2,-0.3 -0.949 55.4-158.9-169.7 151.0 15.7 7.5 70.3 21 22 A I E +A 221 0A 4 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.996 12.0 174.5-141.7 133.1 16.2 4.0 68.9 22 23 A G E -A 220 0A 4 198,-2.3 198,-3.0 -2,-0.3 2,-0.3 -0.985 6.8-168.2-138.2 147.5 16.1 0.6 70.6 23 24 A T E -A 219 0A 22 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.915 5.2-178.5-134.9 161.8 16.2 -3.0 69.2 24 25 A A E -A 218 0A 2 194,-2.1 194,-2.3 -2,-0.3 84,-0.1 -0.991 3.7-170.2-156.4 153.3 15.7 -6.6 70.4 25 26 A N - 0 0 29 -2,-0.3 192,-0.1 192,-0.2 44,-0.1 -0.978 38.4 -86.8-143.7 155.4 15.9 -10.2 69.1 26 27 A P - 0 0 5 0, 0.0 43,-0.1 0, 0.0 44,-0.1 -0.240 40.3-117.6 -59.9 154.5 14.9 -13.7 70.3 27 28 A A S S+ 0 0 107 41,-0.1 2,-0.8 1,-0.1 43,-0.1 0.763 89.8 93.0 -65.9 -27.2 17.4 -15.4 72.6 28 29 A N - 0 0 64 41,-0.3 41,-2.2 2,-0.0 2,-0.5 -0.591 61.7-163.3 -76.3 105.3 18.0 -18.3 70.2 29 30 A C E -I 68 0B 53 -2,-0.8 2,-0.6 39,-0.2 39,-0.2 -0.772 1.2-160.1 -92.0 127.5 21.0 -17.5 67.9 30 31 A V E -I 67 0B 17 37,-3.8 37,-2.0 -2,-0.5 2,-0.2 -0.917 10.6-139.5-114.2 114.4 21.3 -19.7 64.8 31 32 A E E -I 66 0B 89 -2,-0.6 3,-0.3 35,-0.2 35,-0.3 -0.488 6.7-148.4 -70.7 135.1 24.7 -19.9 62.9 32 33 A Q S > S+ 0 0 4 33,-2.5 3,-1.3 -2,-0.2 34,-0.1 0.865 87.8 66.5 -73.3 -38.8 24.4 -19.9 59.1 33 34 A S T 3 S+ 0 0 84 32,-0.5 -1,-0.2 1,-0.3 27,-0.1 0.825 114.9 30.2 -54.6 -33.4 27.3 -22.1 58.2 34 35 A T T 3> S+ 0 0 84 -3,-0.3 4,-1.5 1,-0.1 3,-0.3 0.310 90.2 101.1-109.4 8.7 25.7 -25.1 59.8 35 36 A Y H <> S+ 0 0 5 -3,-1.3 4,-3.5 -4,-0.2 5,-0.3 0.889 73.4 63.7 -61.5 -40.5 22.0 -24.2 59.2 36 37 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.918 105.4 44.9 -50.8 -47.1 21.6 -26.5 56.2 37 38 A D H > S+ 0 0 90 -3,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.911 117.0 46.5 -63.2 -41.5 22.3 -29.6 58.3 38 39 A F H X S+ 0 0 64 -4,-1.5 4,-2.3 2,-0.2 3,-0.3 0.931 112.6 48.1 -66.2 -48.9 19.9 -28.3 61.0 39 40 A Y H X S+ 0 0 1 -4,-3.5 4,-1.3 1,-0.2 -2,-0.2 0.903 111.9 48.1 -61.4 -45.0 17.1 -27.3 58.7 40 41 A F H <>S+ 0 0 0 -4,-2.2 5,-2.9 -5,-0.3 6,-0.4 0.750 113.1 49.7 -71.3 -20.3 17.0 -30.6 56.7 41 42 A K H ><5S+ 0 0 89 -4,-1.0 3,-1.8 -3,-0.3 -2,-0.2 0.939 109.7 47.2 -80.6 -51.3 17.1 -32.7 59.9 42 43 A I H 3<5S+ 0 0 13 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.760 115.4 47.3 -62.8 -24.9 14.2 -30.9 61.8 43 44 A T T 3<5S- 0 0 6 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.351 110.0-125.2 -96.9 5.6 12.1 -31.1 58.6 44 45 A N T < 5S+ 0 0 124 -3,-1.8 -3,-0.2 1,-0.1 3,-0.1 0.913 72.4 126.8 50.8 51.0 13.0 -34.8 58.1 45 46 A S > < + 0 0 9 -5,-2.9 3,-1.9 -6,-0.1 -4,-0.2 0.037 16.8 123.0-123.9 25.4 14.2 -34.1 54.6 46 47 A E T 3 + 0 0 115 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.635 67.4 66.5 -64.8 -13.7 17.7 -35.6 54.7 47 48 A H T 3 S+ 0 0 145 1,-0.2 2,-1.5 -7,-0.1 -1,-0.3 0.566 78.4 85.1 -83.8 -7.7 16.9 -37.9 51.8 48 49 A K <> + 0 0 69 -3,-1.9 4,-2.4 1,-0.2 -1,-0.2 -0.477 56.4 163.2 -91.1 64.4 16.6 -34.9 49.5 49 50 A T H > + 0 0 102 -2,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.840 69.6 45.2 -51.4 -46.4 20.3 -34.9 48.8 50 51 A E H > S+ 0 0 85 -3,-0.2 4,-1.8 2,-0.2 3,-0.3 0.921 111.9 51.6 -67.9 -44.5 20.3 -32.7 45.7 51 52 A L H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.900 107.8 53.9 -59.0 -40.6 17.9 -30.2 47.2 52 53 A K H X S+ 0 0 48 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.847 104.1 55.0 -63.3 -34.6 20.1 -29.9 50.3 53 54 A E H X S+ 0 0 101 -4,-1.3 4,-1.8 -3,-0.3 -1,-0.2 0.923 107.4 50.1 -64.0 -43.8 23.1 -29.1 48.0 54 55 A K H X S+ 0 0 72 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.899 110.3 49.9 -60.0 -42.4 21.2 -26.2 46.5 55 56 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.855 105.6 56.3 -67.0 -35.0 20.3 -24.9 50.0 56 57 A Q H X S+ 0 0 56 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.908 108.8 48.1 -62.4 -40.9 24.0 -25.1 51.1 57 58 A R H X S+ 0 0 147 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.895 109.2 52.8 -65.6 -41.6 24.8 -22.9 48.1 58 59 A M H < S+ 0 0 48 -4,-2.0 4,-0.4 1,-0.2 3,-0.2 0.938 113.4 43.6 -59.0 -47.5 22.0 -20.4 49.0 59 60 A C H >< S+ 0 0 5 -4,-2.5 3,-0.9 1,-0.2 5,-0.4 0.882 109.9 55.7 -67.1 -39.4 23.3 -20.2 52.6 60 61 A D H 3< S+ 0 0 96 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.804 115.6 37.5 -64.3 -29.5 27.0 -19.9 51.5 61 62 A K T 3< S+ 0 0 148 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.307 90.2 91.7-106.2 9.7 26.3 -16.9 49.3 62 63 A S S < S- 0 0 4 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 0.708 84.4-135.4 -75.0 -21.8 23.7 -15.1 51.4 63 64 A M + 0 0 96 -4,-0.4 2,-0.5 1,-0.3 271,-0.1 0.762 63.1 130.3 68.8 25.9 26.3 -13.0 53.2 64 65 A I - 0 0 11 -5,-0.4 -1,-0.3 1,-0.1 267,-0.2 -0.949 38.8-175.2-112.3 128.1 24.5 -13.8 56.5 65 66 A K - 0 0 120 266,-2.5 -33,-2.5 -2,-0.5 -32,-0.5 0.816 67.3 -19.8 -90.3 -35.8 26.6 -15.0 59.4 66 67 A R E -I 31 0B 52 265,-1.2 -1,-0.3 -35,-0.3 2,-0.3 -0.986 52.7-155.3-167.3 162.7 23.7 -15.7 61.8 67 68 A R E -I 30 0B 2 -37,-2.0 -37,-3.8 -2,-0.3 2,-0.4 -0.916 19.5-123.9-140.0 164.2 20.0 -15.0 62.7 68 69 A Y E -I 29 0B 47 265,-0.4 148,-2.4 148,-0.3 2,-0.4 -0.948 28.9-173.9-115.2 132.0 17.8 -15.1 65.8 69 70 A M - 0 0 9 -41,-2.2 -41,-0.3 -2,-0.4 123,-0.1 -0.986 30.9-157.0-134.8 132.3 14.6 -17.2 65.8 70 71 A Y S S+ 0 0 48 -2,-0.4 2,-0.3 -43,-0.1 -1,-0.1 0.858 81.7 87.5 -65.7 -37.1 11.7 -17.6 68.2 71 72 A L - 0 0 8 -3,-0.1 2,-0.2 4,-0.1 -2,-0.1 -0.509 63.9-178.2 -67.2 124.1 11.1 -21.0 66.6 72 73 A T > - 0 0 25 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.728 43.1-103.1-118.9 169.5 13.2 -23.7 68.3 73 74 A E H > S+ 0 0 58 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.875 122.0 53.7 -60.4 -35.7 13.7 -27.4 67.8 74 75 A E H > S+ 0 0 119 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.906 110.5 45.2 -66.3 -41.8 11.5 -28.1 70.8 75 76 A I H >> S+ 0 0 28 1,-0.2 3,-1.2 2,-0.2 4,-0.8 0.942 111.7 52.1 -66.8 -47.0 8.6 -26.0 69.4 76 77 A L H >< S+ 0 0 6 -4,-2.7 3,-1.0 1,-0.3 7,-0.2 0.881 104.8 56.6 -57.7 -38.1 9.0 -27.4 65.9 77 78 A K H 3< S+ 0 0 146 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.748 105.6 51.8 -66.9 -20.8 8.8 -30.9 67.4 78 79 A E H << S+ 0 0 141 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.603 108.1 54.0 -88.7 -13.9 5.4 -30.0 68.9 79 80 A N XX + 0 0 35 -3,-1.0 3,-1.4 -4,-0.8 4,-0.7 -0.658 61.4 174.5-124.2 77.1 3.9 -28.7 65.6 80 81 A P G >4 S+ 0 0 90 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.806 78.5 54.9 -51.9 -37.9 4.3 -31.4 62.9 81 82 A N G >4 S+ 0 0 69 1,-0.2 3,-0.7 2,-0.2 6,-0.6 0.735 97.8 64.5 -72.0 -20.2 2.3 -29.6 60.2 82 83 A V G <4 S+ 0 0 3 -3,-1.4 -1,-0.2 1,-0.2 117,-0.2 0.765 98.2 56.8 -71.7 -22.3 4.6 -26.6 60.6 83 84 A C G << S+ 0 0 12 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.591 92.3 85.5 -83.8 -12.0 7.5 -28.8 59.3 84 85 A E S < S- 0 0 107 -3,-0.7 115,-1.2 -4,-0.3 3,-0.4 -0.490 86.6-119.4 -85.8 160.3 5.7 -29.7 56.1 85 86 A Y S S+ 0 0 35 113,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.936 101.2 1.1 -65.7 -44.7 5.9 -27.5 53.0 86 87 A M S S+ 0 0 93 112,-0.1 -1,-0.2 2,-0.0 -4,-0.1 -0.514 87.8 134.5-147.9 76.3 2.1 -26.8 52.9 87 88 A A - 0 0 14 -6,-0.6 2,-0.3 -3,-0.4 3,-0.0 -0.874 66.6 -78.2-122.9 156.2 -0.0 -28.4 55.6 88 89 A P S S+ 0 0 71 0, 0.0 172,-0.2 0, 0.0 -7,-0.1 -0.326 77.0 125.0 -53.7 108.4 -2.9 -27.0 57.8 89 90 A S > + 0 0 6 170,-2.1 4,-1.9 -2,-0.3 3,-0.2 0.332 24.3 108.7-152.8 8.4 -1.1 -25.0 60.5 90 91 A L H > S+ 0 0 0 169,-2.2 4,-2.8 1,-0.2 5,-0.2 0.930 78.8 57.0 -58.9 -47.7 -2.3 -21.4 60.7 91 92 A D H > S+ 0 0 66 1,-0.2 4,-1.4 168,-0.2 -1,-0.2 0.872 109.3 46.0 -53.2 -40.5 -4.1 -21.7 64.0 92 93 A A H > S+ 0 0 36 -3,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.899 112.6 50.1 -70.0 -40.4 -0.9 -22.9 65.7 93 94 A R H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.866 106.0 57.6 -65.3 -35.3 1.1 -20.1 64.1 94 95 A Q H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.907 104.4 50.6 -62.3 -41.9 -1.5 -17.5 65.2 95 96 A A H X S+ 0 0 64 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.2 0.849 110.1 51.0 -65.1 -34.1 -1.1 -18.5 68.9 96 97 A M H >X S+ 0 0 14 -4,-1.3 4,-2.5 1,-0.2 3,-0.6 0.923 112.2 45.1 -68.4 -46.4 2.7 -18.1 68.6 97 98 A L H 3X S+ 0 0 4 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.859 102.1 66.1 -65.7 -37.4 2.5 -14.6 67.1 98 99 A A H 3< S+ 0 0 39 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.801 115.6 29.2 -55.5 -30.3 -0.1 -13.5 69.6 99 100 A M H S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.892 117.6 51.1 -67.4 -38.4 3.9 -8.0 71.3 103 104 A R H X S+ 0 0 87 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.948 113.8 42.3 -63.1 -50.0 6.6 -9.4 73.7 104 105 A L H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.877 114.2 53.1 -64.6 -38.8 9.5 -8.7 71.4 105 106 A G H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.4 -1,-0.2 0.879 107.3 51.1 -65.0 -38.2 8.1 -5.3 70.4 106 107 A K H X S+ 0 0 85 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.882 104.7 57.5 -66.5 -38.3 7.8 -4.3 74.1 107 108 A E H X S+ 0 0 70 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.909 111.1 42.1 -59.0 -43.2 11.4 -5.3 74.7 108 109 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 112,-0.2 0.903 112.7 54.4 -70.2 -41.3 12.6 -2.9 72.0 109 110 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.880 104.0 54.3 -60.6 -40.8 10.2 -0.2 73.1 110 111 A V H X S+ 0 0 72 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.903 108.7 49.6 -61.8 -39.9 11.4 -0.2 76.7 111 112 A K H X S+ 0 0 98 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.885 111.4 48.3 -66.2 -40.0 15.0 0.4 75.4 112 113 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.896 111.3 49.6 -67.8 -40.1 13.9 3.3 73.3 113 114 A I H X S+ 0 0 23 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.855 108.3 54.5 -67.5 -34.7 11.9 4.9 76.1 114 115 A K H < S+ 0 0 180 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.926 110.2 45.5 -64.7 -45.3 14.9 4.6 78.4 115 116 A E H < S+ 0 0 75 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.925 110.5 54.5 -63.2 -45.5 17.2 6.4 76.0 116 117 A W H < S- 0 0 10 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.926 92.6-154.8 -53.7 -49.3 14.6 9.1 75.4 117 118 A G < + 0 0 53 -4,-2.3 -3,-0.1 1,-0.3 -1,-0.1 0.366 48.8 113.7 89.6 -4.9 14.4 9.7 79.2 118 119 A Q S S- 0 0 52 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.589 75.7 -80.1-100.1 163.0 10.8 11.1 79.4 119 120 A P > - 0 0 65 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.274 29.2-133.2 -59.2 139.5 7.6 9.7 81.0 120 121 A K G > S+ 0 0 94 1,-0.3 3,-1.6 2,-0.2 30,-0.3 0.751 104.8 70.9 -65.2 -22.3 5.8 7.0 79.0 121 122 A S G 3 S+ 0 0 50 1,-0.3 -1,-0.3 28,-0.1 27,-0.0 0.611 87.2 64.9 -69.3 -12.5 2.6 9.0 79.8 122 123 A K G < S+ 0 0 111 -3,-1.8 2,-0.6 61,-0.0 -1,-0.3 0.405 73.5 106.9 -91.8 2.1 3.8 11.6 77.4 123 124 A I < + 0 0 4 -3,-1.6 27,-0.3 1,-0.2 62,-0.2 -0.732 43.4 177.1 -82.2 121.9 3.6 9.3 74.4 124 125 A T + 0 0 43 60,-1.6 30,-2.5 -2,-0.6 2,-0.3 0.692 59.2 34.2 -99.7 -25.4 0.5 10.5 72.5 125 126 A H E -cd 154 185A 5 59,-1.6 61,-2.3 28,-0.2 2,-0.4 -0.958 60.2-160.3-132.7 153.1 0.5 8.2 69.4 126 127 A L E -cd 155 186A 0 28,-2.5 30,-1.9 -2,-0.3 2,-0.5 -0.986 3.8-173.0-138.1 125.5 1.5 4.6 68.7 127 128 A I E -cd 156 187A 0 59,-2.6 61,-3.0 -2,-0.4 2,-0.5 -0.971 8.0-176.2-118.6 117.3 2.3 2.9 65.4 128 129 A V E -cd 157 188A 3 28,-1.9 30,-2.7 -2,-0.5 2,-0.4 -0.969 2.7-173.4-119.1 127.8 2.8 -0.9 65.4 129 130 A C E +cd 158 189A 2 59,-3.1 61,-2.5 -2,-0.5 2,-0.3 -0.951 14.3 151.2-123.2 137.1 3.8 -2.8 62.3 130 131 A S E -c 159 0A 5 28,-1.7 30,-0.9 -2,-0.4 31,-0.3 -0.959 54.4-110.9-158.1 146.2 4.1 -6.5 61.6 131 132 A T S S- 0 0 13 -2,-0.3 29,-1.2 59,-0.2 2,-0.3 0.863 101.9 -1.4 -49.2 -38.4 3.8 -8.6 58.4 132 133 A T - 0 0 5 27,-0.2 -1,-0.1 28,-0.1 26,-0.1 -0.931 60.7-149.1-145.5 167.6 0.5 -10.1 60.0 133 134 A T - 0 0 5 -2,-0.3 -39,-0.1 1,-0.1 505,-0.1 -0.992 11.4-147.4-139.3 136.7 -1.6 -9.9 63.1 134 135 A P + 0 0 8 0, 0.0 504,-1.8 0, 0.0 2,-0.2 0.768 66.8 11.2 -77.3 -27.9 -3.7 -12.8 64.5 135 136 A D E S-J 637 0C 30 2,-0.3 502,-0.2 502,-0.2 4,-0.1 -0.589 80.2 -72.5-136.2-167.1 -6.7 -11.2 66.1 136 137 A L E S+J 636 0C 1 500,-2.0 500,-2.2 -2,-0.2 620,-0.2 -0.980 109.7 53.2-134.6 120.9 -8.9 -8.2 66.7 137 138 A P S S- 0 0 13 0, 0.0 -2,-0.3 0, 0.0 405,-0.1 0.490 101.7-131.3 -59.1 155.0 -7.8 -6.1 68.6 138 139 A G >> - 0 0 3 403,-0.2 3,-1.1 -2,-0.2 4,-1.1 -0.142 31.0 -85.9 -75.1 177.3 -4.6 -5.8 66.5 139 140 A A H 3> S+ 0 0 7 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.713 123.2 70.0 -60.6 -20.8 -1.1 -5.9 68.0 140 141 A D H 3> S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.912 98.8 49.8 -62.7 -39.8 -1.2 -2.2 68.6 141 142 A Y H <> S+ 0 0 18 -3,-1.1 4,-2.1 1,-0.2 -2,-0.2 0.939 110.2 49.2 -62.7 -48.9 -3.7 -2.8 71.4 142 143 A Q H X S+ 0 0 53 -4,-1.1 4,-2.8 1,-0.2 -1,-0.2 0.886 108.8 52.4 -60.3 -40.3 -1.6 -5.6 73.0 143 144 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.906 108.2 51.6 -62.7 -41.0 1.5 -3.4 73.0 144 145 A T H X>S+ 0 0 7 -4,-1.8 4,-1.6 1,-0.2 5,-1.6 0.911 112.4 46.8 -59.8 -43.5 -0.4 -0.6 74.8 145 146 A K H <5S+ 0 0 98 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.909 113.4 47.4 -65.7 -44.0 -1.6 -3.1 77.4 146 147 A L H <5S+ 0 0 70 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.848 118.2 40.9 -68.2 -35.1 1.9 -4.6 77.9 147 148 A L H <5S- 0 0 8 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.694 102.5-129.8 -85.8 -21.7 3.6 -1.1 78.2 148 149 A G T <5 + 0 0 40 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.879 42.8 171.8 73.8 37.0 0.8 0.4 80.3 149 150 A L < - 0 0 12 -5,-1.6 -28,-0.1 -6,-0.2 -1,-0.1 -0.285 48.4 -74.3 -72.0 165.7 0.5 3.5 78.1 150 151 A R > - 0 0 102 -30,-0.3 3,-1.6 -27,-0.3 -1,-0.2 -0.342 42.6-123.9 -59.0 143.3 -2.3 5.9 78.7 151 152 A P T 3 S+ 0 0 61 0, 0.0 475,-0.5 0, 0.0 -1,-0.1 0.719 108.8 60.7 -63.7 -18.6 -5.6 4.4 77.4 152 153 A Y T 3 S+ 0 0 136 473,-0.2 472,-0.4 2,-0.1 2,-0.2 0.126 70.2 131.8 -96.1 20.3 -6.2 7.4 75.2 153 154 A V < - 0 0 1 -3,-1.6 2,-0.7 1,-0.1 -28,-0.2 -0.564 64.2-119.8 -70.0 134.3 -3.0 6.9 73.2 154 155 A K E -c 125 0A 46 -30,-2.5 -28,-2.5 -2,-0.2 2,-0.2 -0.729 38.0-162.3 -84.0 114.2 -4.0 7.2 69.5 155 156 A R E +c 126 0A 2 -2,-0.7 2,-0.3 -30,-0.2 -28,-0.2 -0.662 21.6 179.1-104.0 152.2 -3.1 4.0 67.7 156 157 A V E -c 127 0A 3 -30,-1.9 -28,-1.9 -2,-0.2 2,-0.4 -0.961 14.5-153.2-147.7 126.1 -2.6 2.7 64.2 157 158 A G E -c 128 0A 1 -2,-0.3 2,-0.6 -30,-0.2 383,-0.4 -0.880 1.6-158.8-104.4 134.5 -1.7 -0.8 63.1 158 159 A V E +c 129 0A 0 -30,-2.7 -28,-1.7 -2,-0.4 2,-0.3 -0.896 25.5 167.8-115.0 99.2 0.1 -1.4 59.9 159 160 A F E +c 130 0A 0 -2,-0.6 -28,-0.2 379,-0.4 -27,-0.2 -0.863 51.7 10.0-119.7 150.2 -0.4 -5.0 58.8 160 161 A Q S S+ 0 0 5 -29,-1.2 359,-0.2 -30,-0.9 -1,-0.2 0.804 87.0 111.8 55.9 36.9 0.2 -7.1 55.6 161 162 A H - 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