==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAY-13 4KRI . COMPND 2 MOLECULE: PHOSPHOLETHANOLAMINE N-METHYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMONCHUS CONTORTUS; . AUTHOR S.G.LEE,J.M.JEZ . 1284 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 989 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 10.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 95 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 451 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.3 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 0 2 0 7 2 2 8 12 0 1 7 1 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 9 6 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 . 0 4 2 0 3 0 3 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 3 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 A 0 0 116 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 73.9 30.5 -44.4 24.4 2 0 A S - 0 0 32 1,-0.1 33,-0.0 2,-0.0 145,-0.0 -0.197 360.0-140.8 -87.7 172.1 28.6 -45.7 21.3 3 1 A M > - 0 0 53 -2,-0.0 3,-3.0 32,-0.0 4,-0.5 -0.844 38.1 -91.2-128.7 164.7 28.8 -48.8 19.1 4 2 A P T 3> S+ 0 0 44 0, 0.0 4,-1.7 0, 0.0 663,-0.2 0.690 116.2 76.3 -50.5 -22.4 28.4 -49.4 15.3 5 3 A A H 3> S+ 0 0 3 661,-1.5 4,-1.8 1,-0.2 140,-0.1 0.816 88.9 60.0 -56.2 -30.6 24.7 -50.1 15.9 6 4 A V H <> S+ 0 0 0 -3,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.942 103.0 47.2 -65.8 -47.9 24.4 -46.3 16.2 7 5 A E H > S+ 0 0 6 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.869 109.7 54.9 -63.6 -34.6 25.7 -45.5 12.7 8 6 A R H X S+ 0 0 49 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.912 107.8 49.6 -63.9 -38.5 23.4 -48.2 11.2 9 7 A Q H X S+ 0 0 12 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.885 106.3 55.7 -67.7 -36.5 20.4 -46.5 12.9 10 8 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.915 110.4 45.6 -59.9 -42.2 21.4 -43.1 11.5 11 9 A I H X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.849 108.4 56.1 -72.1 -33.0 21.4 -44.6 8.0 12 10 A E H X S+ 0 0 31 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.913 104.7 53.6 -62.1 -40.7 18.1 -46.4 8.6 13 11 A C H >X S+ 0 0 1 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.891 106.7 52.2 -58.3 -40.6 16.6 -42.9 9.5 14 12 A L H >X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 3,-1.4 0.935 106.4 53.8 -60.6 -46.0 17.9 -41.6 6.1 15 13 A H H 3X S+ 0 0 42 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.664 92.0 71.9 -69.5 -13.6 16.1 -44.5 4.4 16 14 A H H << S+ 0 0 33 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.857 113.0 29.7 -61.3 -34.4 12.8 -43.7 6.0 17 15 A V H << S+ 0 0 31 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.1 0.880 128.8 36.6 -91.3 -48.0 12.8 -40.7 3.7 18 16 A I H >< S- 0 0 40 -4,-2.3 3,-2.0 1,-0.2 -3,-0.2 0.540 85.3-170.3 -91.5 -4.9 14.7 -41.8 0.6 19 17 A K T 3< - 0 0 102 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.308 68.2 -3.1 61.7-122.4 13.4 -45.4 0.7 20 18 A G T 3 S+ 0 0 75 -2,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.498 107.4 110.7 -84.8 -3.1 15.2 -47.7 -1.8 21 19 A A < - 0 0 52 -3,-2.0 -3,-0.1 -6,-0.1 0, 0.0 -0.350 61.0-142.1 -69.1 147.8 17.4 -44.9 -3.2 22 20 A E - 0 0 76 24,-0.1 2,-0.1 -2,-0.1 -2,-0.1 -0.968 31.0-116.0-104.2 130.7 21.1 -44.7 -2.6 23 21 A P - 0 0 8 0, 0.0 3,-0.2 0, 0.0 25,-0.1 -0.403 16.0-150.4 -68.4 136.2 22.1 -41.1 -2.1 24 22 A Q S S+ 0 0 125 1,-0.3 24,-2.5 23,-0.2 2,-0.4 0.898 83.6 25.5 -75.1 -40.8 24.4 -39.9 -4.9 25 23 A Q E S-a 48 0A 72 22,-0.2 40,-2.6 38,-0.1 41,-1.4 -0.984 70.9-178.6-127.9 123.4 26.3 -37.3 -2.7 26 24 A V E -ab 49 66A 0 22,-2.9 24,-2.5 -2,-0.4 2,-0.4 -0.951 9.4-160.9-122.0 136.6 26.6 -37.6 1.1 27 25 A G E -ab 50 67A 0 39,-2.5 41,-2.8 -2,-0.4 2,-0.4 -0.927 6.5-162.7-111.2 144.4 28.2 -35.2 3.5 28 26 A I E -ab 51 68A 0 22,-2.3 24,-2.7 -2,-0.4 2,-0.6 -0.995 9.1-171.7-128.9 124.1 29.3 -36.2 7.0 29 27 A L E +ab 52 69A 0 39,-2.7 41,-2.6 -2,-0.4 24,-0.2 -0.960 32.4 137.8-113.4 109.9 30.1 -33.8 9.8 30 28 A C - 0 0 0 22,-2.1 41,-0.1 -2,-0.6 6,-0.1 -0.861 40.5-159.5-159.1 112.8 31.5 -35.9 12.7 31 29 A P S S+ 0 0 58 0, 0.0 2,-0.7 0, 0.0 22,-0.1 0.713 77.6 79.9 -72.6 -19.8 34.5 -34.9 14.8 32 30 A Q > - 0 0 89 38,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.798 69.9-155.1 -94.2 114.0 35.1 -38.5 16.0 33 31 A D H > S+ 0 0 50 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.820 87.8 53.4 -61.1 -37.7 37.0 -40.4 13.2 34 32 A D H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 111.9 44.2 -65.9 -44.8 35.9 -43.9 14.1 35 33 A Q H > S+ 0 0 41 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.907 112.8 54.0 -63.4 -40.5 32.2 -43.1 14.1 36 34 A R H X S+ 0 0 28 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.905 109.3 46.7 -60.0 -44.2 32.7 -41.1 10.8 37 35 A K H X S+ 0 0 107 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.849 107.7 56.9 -68.4 -34.8 34.4 -44.1 9.1 38 36 A A H < S+ 0 0 31 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.863 108.9 47.5 -61.3 -38.2 31.6 -46.4 10.3 39 37 A L H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 4,-0.3 0.918 110.1 52.3 -66.8 -44.1 29.1 -44.1 8.6 40 38 A T H >< S+ 0 0 32 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.893 102.9 57.1 -60.7 -41.2 31.2 -44.1 5.4 41 39 A E T 3< S+ 0 0 160 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.607 92.0 73.2 -69.3 -10.7 31.4 -47.9 5.2 42 40 A Q T < S+ 0 0 62 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.3 0.647 89.5 75.3 -73.2 -16.7 27.6 -48.0 5.1 43 41 A F < - 0 0 26 -3,-1.9 2,-0.1 -4,-0.3 6,-0.1 -0.714 68.0-148.8-104.5 150.6 27.7 -46.6 1.6 44 42 A G > - 0 0 47 -2,-0.3 3,-1.9 4,-0.0 -1,-0.1 -0.266 44.1 -72.2-104.1-167.1 28.5 -48.4 -1.7 45 43 A S T 3 S+ 0 0 129 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.602 121.4 67.1 -70.9 -11.1 30.0 -47.3 -5.0 46 44 A K T 3 S+ 0 0 155 2,-0.0 2,-0.4 -21,-0.0 -1,-0.3 0.493 94.5 73.1 -83.8 -0.6 26.9 -45.3 -6.1 47 45 A T < - 0 0 19 -3,-1.9 2,-0.5 -22,-0.1 -22,-0.2 -0.935 65.0-157.2-118.1 133.3 27.5 -42.8 -3.3 48 46 A A E -a 25 0A 43 -24,-2.5 -22,-2.9 -2,-0.4 2,-0.4 -0.926 19.2-156.6-103.1 134.0 30.3 -40.2 -3.1 49 47 A T E -a 26 0A 53 -2,-0.5 2,-0.4 -24,-0.2 -22,-0.2 -0.924 14.3-172.7-119.4 134.7 31.1 -39.1 0.4 50 48 A S E -a 27 0A 44 -24,-2.5 -22,-2.3 -2,-0.4 2,-0.4 -0.975 13.9-165.8-116.1 138.5 32.6 -35.9 1.7 51 49 A F E +a 28 0A 99 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.943 11.1 175.2-127.0 150.0 33.6 -35.6 5.4 52 50 A C E -a 29 0A 9 -24,-2.7 -22,-2.1 -2,-0.4 3,-0.1 -0.964 24.1-151.1-143.7 165.7 34.5 -32.8 7.7 53 51 A K S S+ 0 0 107 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.447 80.7 43.6-118.2 -4.6 35.2 -32.3 11.4 54 52 A E S > S- 0 0 132 -24,-0.1 3,-1.3 1,-0.1 4,-0.2 -0.980 79.5-120.8-139.2 153.3 34.1 -28.7 12.1 55 53 A V G > S+ 0 0 21 -2,-0.3 3,-2.2 1,-0.3 4,-0.2 0.817 107.1 67.4 -67.7 -27.0 31.1 -26.8 10.9 56 54 A D G > S+ 0 0 121 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.785 90.4 65.3 -65.0 -21.7 33.1 -24.1 9.1 57 55 A S G X S+ 0 0 43 -3,-1.3 3,-2.0 1,-0.2 -1,-0.3 0.572 76.9 86.1 -74.6 -6.6 34.2 -26.9 6.6 58 56 A L G X S+ 0 0 3 -3,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.714 72.3 75.2 -65.7 -16.8 30.5 -27.1 5.5 59 57 A K G < S+ 0 0 176 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.654 91.0 56.4 -64.2 -15.9 31.4 -24.2 3.1 60 58 A N G < S+ 0 0 114 -3,-2.0 2,-0.4 -4,-0.1 -1,-0.3 0.447 95.0 81.7 -97.7 -3.5 33.2 -26.9 1.1 61 59 A L < + 0 0 16 -3,-1.5 2,-0.3 -4,-0.2 33,-0.1 -0.851 52.7 150.2-106.4 138.7 30.1 -29.1 0.7 62 60 A S + 0 0 82 -2,-0.4 31,-0.2 1,-0.1 32,-0.1 -0.979 50.8 31.7-157.2 165.3 27.3 -28.5 -1.8 63 61 A N S S+ 0 0 92 29,-0.4 2,-0.3 -2,-0.3 31,-0.2 0.824 76.4 169.4 54.8 35.5 24.7 -30.3 -3.9 64 62 A L E - c 0 94A 1 29,-2.5 31,-2.8 1,-0.1 -1,-0.2 -0.574 36.4-161.8 -82.1 140.7 24.3 -33.0 -1.2 65 63 A D E S+ 0 0 38 -40,-2.6 34,-2.2 1,-0.3 2,-0.3 0.720 84.4 11.5 -84.4 -25.3 21.5 -35.5 -1.2 66 64 A A E -bc 26 99A 0 -41,-1.4 -39,-2.5 32,-0.2 2,-0.4 -0.984 59.8-162.7-152.3 142.5 22.1 -36.2 2.5 67 65 A L E -bc 27 100A 0 32,-2.5 34,-2.5 -2,-0.3 2,-0.6 -0.995 10.5-163.4-125.3 121.1 24.0 -34.6 5.3 68 66 A I E -bc 28 101A 0 -41,-2.8 -39,-2.7 -2,-0.4 2,-0.6 -0.931 4.5-171.1-108.2 121.5 24.7 -36.7 8.4 69 67 A V E -bc 29 102A 0 32,-3.0 34,-3.2 -2,-0.6 2,-0.6 -0.953 5.8-173.3-118.7 116.5 25.7 -34.7 11.4 70 68 A N E - c 0 103A 0 -41,-2.6 -38,-0.3 -2,-0.6 34,-0.2 -0.914 62.7 -33.0-124.6 109.0 26.9 -36.8 14.3 71 69 A Q S S+ 0 0 46 32,-2.6 3,-0.2 -2,-0.6 -1,-0.2 0.867 97.9 120.9 55.4 44.3 27.8 -35.4 17.8 72 70 A A + 0 0 20 31,-0.4 3,-0.3 -43,-0.1 4,-0.2 0.440 51.3 70.2-114.6 -3.6 29.1 -32.2 16.3 73 71 A L > + 0 0 1 30,-0.2 4,-2.3 1,-0.2 5,-0.2 0.032 48.3 122.4-114.1 26.2 26.9 -29.6 17.9 74 72 A D T 4 S+ 0 0 101 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.893 88.3 38.1 -53.5 -43.2 27.9 -29.4 21.6 75 73 A E T >4 S+ 0 0 116 -3,-0.3 3,-1.5 1,-0.2 -1,-0.2 0.920 113.6 55.5 -73.0 -45.1 28.7 -25.7 21.3 76 74 A E G >4 S+ 0 0 15 1,-0.3 3,-1.5 -4,-0.2 7,-0.4 0.834 98.1 60.1 -60.2 -37.9 25.8 -24.9 19.0 77 75 A I G 3< S+ 0 0 9 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.622 111.2 42.7 -71.2 -7.7 23.0 -26.2 21.2 78 76 A N G < S+ 0 0 118 -3,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.304 114.9 51.5-113.2 6.3 24.2 -23.7 23.9 79 77 A D <> - 0 0 57 -3,-1.5 4,-2.4 -4,-0.2 -1,-0.2 -0.867 60.8-162.1-151.3 106.9 24.7 -20.7 21.6 80 78 A S H > S+ 0 0 67 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.821 92.2 55.9 -66.1 -33.2 22.0 -19.5 19.1 81 79 A E H > S+ 0 0 147 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.922 112.4 42.8 -65.3 -42.8 24.4 -17.4 17.0 82 80 A K H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.880 113.8 52.3 -66.0 -39.7 26.6 -20.5 16.4 83 81 A L H X S+ 0 0 7 -4,-2.4 4,-2.7 -7,-0.4 5,-0.2 0.906 107.3 52.8 -63.2 -39.9 23.5 -22.6 15.9 84 82 A D H X S+ 0 0 47 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.888 106.9 52.1 -63.3 -40.1 22.2 -20.1 13.3 85 83 A K H X S+ 0 0 150 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.906 111.6 47.7 -60.4 -41.3 25.6 -20.4 11.4 86 84 A F H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.929 111.3 47.6 -66.7 -47.6 25.2 -24.2 11.4 87 85 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.916 113.7 50.1 -62.3 -40.2 21.6 -24.3 10.2 88 86 A T H X S+ 0 0 25 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.939 113.1 44.8 -59.0 -48.6 22.5 -21.8 7.5 89 87 A A H X S+ 0 0 22 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.872 112.1 52.7 -68.2 -37.1 25.5 -23.8 6.4 90 88 A A H X S+ 0 0 0 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.939 110.4 47.4 -63.2 -46.2 23.5 -27.1 6.4 91 89 A L H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.897 111.4 50.9 -61.7 -42.1 20.8 -25.5 4.2 92 90 A R H < S+ 0 0 171 -4,-2.3 -29,-0.4 1,-0.2 -1,-0.2 0.871 108.8 52.1 -64.3 -33.4 23.3 -24.2 1.8 93 91 A S H < S+ 0 0 1 -4,-1.8 -29,-2.5 -31,-0.2 2,-0.3 0.736 99.1 78.5 -76.8 -22.7 25.1 -27.6 1.5 94 92 A L E < S-c 64 0A 3 -4,-1.1 -31,-0.2 -3,-0.4 -29,-0.2 -0.629 75.6-126.9 -93.3 143.8 21.9 -29.5 0.7 95 93 A R E > - 0 0 100 -31,-2.8 3,-2.5 -2,-0.3 68,-0.3 -0.464 51.7 -80.8 -67.2 156.2 19.9 -29.9 -2.6 96 94 A T E 3 S+ 0 0 59 1,-0.3 68,-0.2 -2,-0.1 -1,-0.1 -0.419 126.1 23.1 -58.8 138.2 16.2 -29.1 -2.3 97 95 A D E 3 S+ 0 0 88 66,-2.7 -1,-0.3 1,-0.3 67,-0.1 0.380 94.3 143.3 75.5 1.7 14.6 -32.3 -0.9 98 96 A G E < - 0 0 3 -3,-2.5 65,-2.7 -34,-0.1 2,-0.4 -0.340 47.9-123.1 -68.1 153.2 18.0 -33.2 0.6 99 97 A V E -cD 66 162A 0 -34,-2.2 -32,-2.5 63,-0.2 2,-0.5 -0.841 15.1-157.4-109.6 133.6 17.8 -34.9 4.0 100 98 A L E -cD 67 161A 1 61,-3.0 61,-2.5 -2,-0.4 2,-0.6 -0.952 5.9-170.9-103.9 123.1 19.5 -33.8 7.2 101 99 A I E -cD 68 160A 0 -34,-2.5 -32,-3.0 -2,-0.5 2,-0.5 -0.969 12.3-174.8-109.5 114.5 20.1 -36.6 9.8 102 100 A L E -cD 69 159A 2 57,-2.4 57,-3.1 -2,-0.6 2,-0.5 -0.948 8.9-171.3-120.2 118.6 21.2 -34.9 13.0 103 101 A R E +cD 70 158A 0 -34,-3.2 -32,-2.6 -2,-0.5 -31,-0.4 -0.936 15.6 159.3-110.0 123.4 22.3 -36.9 16.0 104 102 A Q E - D 0 157A 3 53,-2.3 53,-2.1 -2,-0.5 2,-0.5 -0.965 35.0-133.1-145.1 128.0 23.0 -35.1 19.2 105 103 A D E + D 0 156A 35 -2,-0.4 51,-0.3 51,-0.3 3,-0.2 -0.670 20.9 179.3 -78.4 124.8 23.0 -36.4 22.8 106 104 A L > + 0 0 5 49,-3.1 3,-1.4 -2,-0.5 50,-0.2 0.209 52.3 104.4-109.1 13.7 21.0 -34.2 25.1 107 105 A S T 3 S+ 0 0 39 1,-0.3 -1,-0.1 48,-0.2 49,-0.1 0.750 82.3 49.4 -69.2 -23.1 21.5 -36.2 28.3 108 106 A K T 3 S+ 0 0 132 -3,-0.2 2,-0.8 47,-0.1 -1,-0.3 0.347 90.6 92.7 -96.6 3.8 24.1 -33.7 29.7 109 107 A V < - 0 0 16 -3,-1.4 5,-0.2 1,-0.2 -1,-0.1 -0.883 64.4-161.5 -96.4 105.1 21.7 -30.9 28.9 110 108 A K + 0 0 96 -2,-0.8 2,-0.3 3,-0.1 -1,-0.2 0.864 66.3 94.1 -56.1 -41.3 19.8 -30.4 32.2 111 109 A E > - 0 0 122 1,-0.2 3,-1.3 -3,-0.1 4,-0.2 -0.359 63.5-160.7 -56.9 111.7 17.0 -28.5 30.5 112 110 A M T > S+ 0 0 42 -2,-0.3 3,-0.5 1,-0.3 4,-0.3 0.764 85.9 58.4 -72.3 -25.3 14.4 -31.2 29.8 113 111 A K T 3> S+ 0 0 49 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.397 75.7 105.6 -82.3 3.9 12.5 -29.3 27.1 114 112 A K H <> S+ 0 0 35 -3,-1.3 4,-2.7 1,-0.2 5,-0.3 0.883 75.8 51.6 -54.1 -44.7 15.8 -28.9 25.1 115 113 A M H <> S+ 0 0 5 -3,-0.5 4,-2.3 -4,-0.2 -1,-0.2 0.932 113.3 45.9 -58.3 -43.8 14.7 -31.5 22.5 116 114 A A H > S+ 0 0 4 -4,-0.3 4,-2.3 -3,-0.2 -2,-0.2 0.908 112.9 48.7 -67.0 -42.1 11.4 -29.7 22.0 117 115 A M H X S+ 0 0 101 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.882 112.0 49.1 -67.4 -38.1 13.0 -26.2 21.8 118 116 A L H X S+ 0 0 6 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.929 109.8 52.2 -64.6 -43.5 15.6 -27.4 19.3 119 117 A T H X S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.926 111.5 46.2 -59.8 -44.7 12.9 -29.0 17.1 120 118 A D H X S+ 0 0 53 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.901 110.8 53.8 -63.9 -39.4 10.9 -25.8 17.1 121 119 A Y H X S+ 0 0 74 -4,-2.1 4,-1.7 1,-0.2 3,-0.2 0.920 111.2 44.5 -62.0 -45.9 14.1 -23.8 16.3 122 120 A F H < S+ 0 0 5 -4,-2.7 14,-0.7 1,-0.2 -1,-0.2 0.870 112.9 52.9 -63.5 -37.3 14.9 -26.0 13.3 123 121 A D H < S+ 0 0 26 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.765 113.6 41.9 -72.6 -25.5 11.2 -25.9 12.1 124 122 A V H < S+ 0 0 89 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.763 85.6 109.9 -94.6 -29.8 11.1 -22.0 12.2 125 123 A F < - 0 0 37 -4,-1.7 11,-0.4 -5,-0.2 2,-0.4 -0.179 46.1-171.1 -56.9 133.9 14.5 -21.1 10.7 126 124 A R - 0 0 90 9,-0.1 2,-0.4 7,-0.0 9,-0.2 -0.980 8.3-166.1-129.5 141.0 14.3 -19.6 7.2 127 125 A L E -E 134 0A 22 7,-2.7 7,-2.6 -2,-0.4 2,-0.3 -0.989 26.0-119.0-126.1 133.2 17.1 -18.7 4.8 128 126 A E E +E 133 0A 140 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.534 39.5 166.2 -67.2 127.5 16.9 -16.6 1.7 129 127 A E E > -E 132 0A 78 3,-2.7 3,-1.1 -2,-0.3 2,-0.2 -0.891 59.9 -39.2-145.9 113.0 17.7 -18.6 -1.5 130 128 A G T 3 S- 0 0 62 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 -0.515 121.2 -24.3 68.9-137.2 16.9 -17.2 -4.9 131 129 A N T 3 S+ 0 0 170 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.2 0.122 133.8 29.9 -98.0 21.6 13.5 -15.3 -4.9 132 130 A G E < S-E 129 0A 19 -3,-1.1 -3,-2.7 35,-0.1 2,-0.3 -0.795 88.1 -83.7-151.2-164.8 12.1 -17.2 -2.0 133 131 A N E -EF 128 166A 32 33,-2.3 33,-3.1 -5,-0.2 2,-0.3 -0.736 24.3-155.0-109.8 160.2 13.1 -18.9 1.3 134 132 A V E +EF 127 165A 3 -7,-2.6 -7,-2.7 -2,-0.3 2,-0.3 -0.938 24.6 147.5-125.7 157.8 14.4 -22.4 2.2 135 133 A G E - F 0 164A 0 29,-2.1 29,-2.9 -2,-0.3 2,-0.5 -0.949 46.9 -73.4-168.2-179.1 14.1 -24.2 5.5 136 134 A F E - F 0 163A 4 -14,-0.7 2,-0.4 -11,-0.4 27,-0.2 -0.819 31.4-149.2 -97.7 129.9 13.8 -27.6 7.0 137 135 A Q E - F 0 162A 80 25,-3.6 25,-2.3 -2,-0.5 2,-0.2 -0.791 29.2-115.8 -88.1 135.4 10.5 -29.6 6.9 138 136 A F E + F 0 161A 26 -2,-0.4 23,-0.2 23,-0.2 3,-0.1 -0.495 42.8 159.1 -75.1 136.3 10.1 -31.8 10.0 139 137 A Y E - 0 0 30 21,-1.7 137,-0.5 1,-0.3 2,-0.3 0.665 57.9 -37.2-115.9 -55.6 10.0 -35.6 9.6 140 138 A A E - F 0 160A 0 20,-1.6 20,-2.7 135,-0.1 2,-0.4 -0.994 30.8-139.4-163.2 160.3 10.8 -37.2 13.0 141 139 A V E +GF 274 159A 1 133,-1.9 133,-2.4 -2,-0.3 2,-0.3 -0.992 32.8 179.8-122.8 124.0 12.8 -37.2 16.2 142 140 A N E -GF 273 158A 11 16,-2.8 16,-2.7 -2,-0.4 2,-0.4 -0.803 26.9-116.0-115.1 162.2 14.0 -40.7 17.2 143 141 A E E - F 0 157A 6 129,-0.6 2,-0.6 -2,-0.3 14,-0.2 -0.779 31.4-113.0 -90.2 143.7 16.0 -42.0 20.2 144 142 A V > - 0 0 0 12,-2.9 4,-1.1 -2,-0.4 3,-0.4 -0.668 29.5-156.5 -70.3 115.2 19.4 -43.6 19.6 145 143 A L H > S+ 0 0 33 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.847 86.5 61.8 -73.5 -32.1 18.5 -47.1 20.6 146 144 A D H >>S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.6 0.891 103.5 52.8 -55.8 -38.0 22.0 -48.2 21.5 147 145 A S H >5S+ 0 0 2 -3,-0.4 6,-2.2 1,-0.2 4,-1.1 0.864 108.8 48.5 -72.3 -33.4 22.0 -45.5 24.1 148 146 A V H X5S+ 0 0 2 -4,-1.1 4,-0.9 4,-0.2 -2,-0.2 0.950 118.8 38.0 -65.0 -48.2 18.8 -46.8 25.7 149 147 A Y H <5S+ 0 0 27 -4,-2.5 546,-2.6 1,-0.2 -2,-0.2 0.740 129.1 27.6 -82.1 -24.8 19.9 -50.4 25.8 150 148 A V H <5S+ 0 0 26 -4,-2.2 -3,-0.2 -5,-0.2 -1,-0.2 0.719 133.5 25.9-106.0 -32.4 23.6 -50.0 26.7 151 149 A H H < - 0 0 47 -2,-0.4 4,-2.7 1,-0.1 5,-0.1 -0.259 20.8-115.5 -69.1 157.9 1.3 -26.7 11.0 173 174 A F H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.920 118.9 50.4 -55.7 -46.7 -0.7 -29.5 12.6 174 175 A R H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 112.1 46.3 -59.5 -45.5 2.2 -30.0 15.0 175 176 A D H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 109.0 55.6 -69.5 -35.7 2.3 -26.3 15.9 176 177 A F H X>S+ 0 0 33 -4,-2.7 4,-1.2 2,-0.2 5,-0.5 0.922 110.5 45.3 -58.9 -46.5 -1.4 -26.2 16.3 177 178 A L H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-0.3 0.931 116.9 44.5 -61.5 -48.0 -1.3 -29.0 18.9 178 179 A D H <5S+ 0 0 10 -4,-2.3 6,-0.2 1,-0.2 -1,-0.2 0.726 118.5 42.4 -71.5 -24.7 1.7 -27.4 20.8 179 180 A R H <5S+ 0 0 142 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.596 125.6 20.6-101.0 -13.1 0.3 -23.9 20.7 180 181 A T T ><5S+ 0 0 60 -4,-1.2 3,-0.7 -3,-0.3 -3,-0.2 0.631 129.0 11.3-119.5 -86.0 -3.4 -24.5 21.6 181 182 A Q T 3 - 0 0 40 -3,-0.7 4,-3.0 -2,-0.1 5,-0.2 -0.397 69.8-100.5 -65.2 162.5 0.6 -26.2 25.7 184 185 A D H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 126.2 45.9 -55.4 -46.7 2.7 -27.1 28.7 185 186 A T H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 112.8 50.7 -65.1 -38.8 0.1 -25.6 31.0 186 187 A G H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.914 110.6 49.8 -61.2 -44.6 -2.7 -27.3 29.2 187 188 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.955 113.6 43.8 -59.9 -51.5 -0.9 -30.6 29.4 188 189 A F H X S+ 0 0 58 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.846 112.5 52.3 -69.2 -30.0 -0.3 -30.4 33.2 189 190 A A H X S+ 0 0 8 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.915 111.5 47.8 -67.9 -41.3 -3.8 -29.1 33.9 190 191 A Y H X S+ 0 0 26 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.930 109.6 52.2 -61.2 -47.3 -5.1 -32.1 31.9 191 192 A E H X S+ 0 0 19 -4,-2.7 4,-2.6 1,-0.2 7,-0.2 0.879 104.9 57.9 -57.4 -36.9 -2.8 -34.5 33.8 192 193 A W H < S+ 0 0 52 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.924 114.6 35.1 -61.7 -44.0 -4.1 -33.0 37.1 193 194 A I H < S+ 0 0 0 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.886 123.1 42.6 -78.5 -39.4 -7.8 -33.9 36.3 194 195 A F H < S- 0 0 6 -4,-3.0 -3,-0.2 4,-0.3 -2,-0.2 0.865 117.5 -99.0 -76.5 -35.7 -7.2 -37.2 34.4 195 196 A G >< - 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