==== 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 4KRH . COMPND 2 MOLECULE: PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMONCHUS CONTORTUS; . AUTHOR S.G.LEE,J.M.JEZ . 862 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 660 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 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 . 2 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 . 62 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 1 1 0 4 2 2 4 8 0 0 6 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 6 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 . 0 2 2 0 2 0 2 0 2 2 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 2 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 0 119 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.4 -43.5 42.9 85.3 2 0 A S - 0 0 29 1,-0.0 33,-0.0 2,-0.0 145,-0.0 -0.382 360.0-141.2 -93.4 163.8 -43.3 44.9 82.1 3 1 A X > - 0 0 86 -2,-0.1 3,-2.3 32,-0.0 4,-0.5 -0.768 38.2 -93.4-115.2 164.4 -44.5 48.3 81.0 4 2 A P T 3> S+ 0 0 39 0, 0.0 4,-1.5 0, 0.0 669,-0.2 0.652 114.7 77.3 -49.4 -24.3 -46.1 49.5 77.6 5 3 A A H 3> S+ 0 0 3 667,-1.3 4,-1.4 1,-0.2 140,-0.1 0.823 88.4 59.3 -55.4 -31.0 -42.6 50.6 76.4 6 4 A V H <> S+ 0 0 0 -3,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.928 102.7 48.8 -65.6 -47.6 -41.9 46.9 75.7 7 5 A E H > S+ 0 0 4 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.855 107.8 55.8 -63.2 -35.2 -44.8 46.4 73.3 8 6 A R H X S+ 0 0 52 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.870 107.0 50.5 -63.9 -37.2 -43.7 49.5 71.4 9 7 A Q H X S+ 0 0 13 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.875 104.9 57.0 -68.3 -36.1 -40.3 48.0 71.0 10 8 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.913 108.3 46.8 -60.5 -41.7 -41.7 44.8 69.6 11 9 A I H X S+ 0 0 8 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.861 108.6 55.0 -71.7 -33.6 -43.5 46.7 66.9 12 10 A E H X S+ 0 0 29 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.924 105.8 52.6 -61.4 -40.9 -40.3 48.6 66.1 13 11 A C H >X S+ 0 0 3 -4,-2.5 3,-0.6 1,-0.2 4,-0.5 0.883 108.5 50.9 -59.5 -41.0 -38.6 45.2 65.7 14 12 A L H >X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 3,-1.3 0.905 105.4 56.3 -60.5 -45.9 -41.3 44.3 63.2 15 13 A H H 3X S+ 0 0 53 -4,-2.3 4,-1.1 1,-0.3 -1,-0.2 0.592 89.2 73.4 -68.8 -13.7 -40.8 47.6 61.3 16 14 A H H << S+ 0 0 24 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.864 111.5 30.8 -61.8 -33.9 -37.1 46.8 60.7 17 15 A V H << S+ 0 0 31 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.1 0.926 129.3 32.8 -91.2 -48.5 -38.4 44.3 58.2 18 16 A I H >< S- 0 0 34 -4,-1.9 3,-2.0 1,-0.2 -3,-0.2 0.514 86.1-170.1 -92.5 -4.4 -41.7 45.6 56.8 19 17 A K T 3< - 0 0 102 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.271 66.6 -7.0 60.7-124.4 -40.7 49.3 57.0 20 18 A G T 3 S+ 0 0 74 2,-0.1 -1,-0.3 -2,-0.1 -5,-0.1 0.488 108.3 110.6 -84.5 -3.4 -43.5 51.7 56.3 21 19 A A < - 0 0 55 -3,-2.0 -3,-0.1 -6,-0.1 0, 0.0 -0.345 63.0-138.2 -69.8 148.4 -45.9 48.9 55.3 22 20 A E - 0 0 72 24,-0.1 2,-0.1 21,-0.0 -2,-0.1 -0.967 26.1-118.2-105.2 129.9 -48.8 48.0 57.5 23 21 A P - 0 0 8 0, 0.0 3,-0.2 0, 0.0 25,-0.1 -0.406 13.2-150.5 -67.5 135.5 -49.4 44.2 57.8 24 22 A Q S S+ 0 0 122 1,-0.3 24,-2.3 23,-0.2 2,-0.4 0.877 84.3 24.9 -75.4 -40.7 -52.7 43.0 56.5 25 23 A Q E S-a 48 0A 68 22,-0.2 40,-2.7 38,-0.1 41,-1.3 -0.988 71.0-179.2-129.4 123.4 -53.0 40.0 58.8 26 24 A V E -ab 49 66A 0 22,-2.1 24,-2.7 -2,-0.4 2,-0.4 -0.970 10.7-157.7-123.3 137.2 -51.3 39.8 62.2 27 25 A G E -ab 50 67A 0 39,-2.7 41,-3.1 -2,-0.4 2,-0.4 -0.902 7.3-164.3-111.5 144.2 -51.4 37.0 64.7 28 26 A I E -ab 51 68A 0 22,-1.5 24,-2.3 -2,-0.4 2,-0.6 -0.978 10.5-173.5-129.2 122.5 -50.7 37.6 68.4 29 27 A L E +ab 52 69A 0 39,-3.2 41,-2.9 -2,-0.4 24,-0.2 -0.940 31.9 138.2-113.0 110.7 -49.9 34.9 70.9 30 28 A C - 0 0 1 22,-1.3 41,-0.1 -2,-0.6 6,-0.1 -0.829 38.0-162.6-160.2 111.1 -49.7 36.5 74.4 31 29 A P S S+ 0 0 65 0, 0.0 2,-0.7 0, 0.0 40,-0.1 0.668 74.0 81.6 -73.2 -19.1 -51.1 35.2 77.7 32 30 A Q > - 0 0 88 38,-0.3 4,-2.6 1,-0.2 3,-0.2 -0.805 67.3-156.4 -95.6 111.8 -51.0 38.5 79.6 33 31 A D H > S+ 0 0 58 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.826 89.2 50.6 -59.4 -39.3 -54.1 40.5 78.6 34 32 A D H > S+ 0 0 120 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.911 114.3 44.3 -68.2 -41.0 -52.7 44.0 79.5 35 33 A Q H > S+ 0 0 33 -3,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.886 112.9 54.4 -65.0 -39.7 -49.6 43.4 77.4 36 34 A R H X S+ 0 0 35 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.896 108.1 46.8 -62.5 -44.0 -51.8 41.9 74.7 37 35 A K H X S+ 0 0 108 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.862 107.0 57.4 -68.2 -35.5 -54.1 45.0 74.4 38 36 A A H < S+ 0 0 30 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.846 109.1 47.8 -60.3 -37.4 -51.1 47.3 74.3 39 37 A L H >< S+ 0 0 0 -4,-1.4 3,-1.2 2,-0.2 4,-0.3 0.900 109.1 52.5 -66.6 -44.7 -49.9 45.4 71.3 40 38 A T H >< S+ 0 0 35 -4,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.895 102.9 57.4 -60.4 -42.2 -53.3 45.5 69.6 41 39 A E T 3< S+ 0 0 158 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.624 91.8 73.0 -68.4 -12.1 -53.6 49.3 69.9 42 40 A Q T < S+ 0 0 62 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.3 0.659 90.6 71.5 -72.1 -17.9 -50.3 49.5 68.0 43 41 A F S < S- 0 0 24 -3,-1.9 2,-0.1 -4,-0.3 6,-0.0 -0.729 72.0-144.0-104.3 151.3 -52.2 48.6 64.8 44 42 A G > - 0 0 45 -2,-0.3 3,-1.9 4,-0.0 -1,-0.1 -0.294 39.6 -77.8-104.9-168.2 -54.6 50.6 62.8 45 43 A S T 3 S+ 0 0 131 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.590 120.5 66.7 -71.2 -10.5 -57.8 50.0 60.8 46 44 A K T 3 S+ 0 0 164 2,-0.0 2,-0.5 1,-0.0 -1,-0.3 0.463 93.8 72.8 -86.1 -0.6 -55.9 48.6 57.8 47 45 A T < - 0 0 16 -3,-1.9 2,-0.5 -22,-0.0 -22,-0.2 -0.954 64.4-159.0-119.1 131.9 -54.8 45.6 59.8 48 46 A A E -a 25 0A 47 -24,-2.3 -22,-2.1 -2,-0.5 2,-0.4 -0.903 17.7-160.2-104.1 135.2 -56.9 42.7 60.9 49 47 A T E -a 26 0A 47 -2,-0.5 2,-0.5 -24,-0.2 -22,-0.2 -0.938 15.5-170.2-122.0 134.2 -55.6 40.8 63.9 50 48 A S E -a 27 0A 57 -24,-2.7 -22,-1.5 -2,-0.4 2,-0.3 -0.979 17.7-178.1-115.9 136.2 -56.3 37.3 65.1 51 49 A F E -a 28 0A 85 -2,-0.5 2,-0.3 -24,-0.3 -22,-0.2 -0.961 8.4-173.0-131.0 153.1 -54.9 36.5 68.5 52 50 A C E -a 29 0A 14 -24,-2.3 -22,-1.3 -2,-0.3 3,-0.1 -0.898 22.5-141.1-140.1 168.8 -54.8 33.4 70.8 53 51 A K S S+ 0 0 125 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.401 81.7 48.7-117.0 -3.8 -53.7 32.5 74.3 54 52 A E S > S- 0 0 136 1,-0.1 3,-1.2 -24,-0.1 4,-0.1 -0.988 76.7-126.5-137.1 153.1 -52.2 29.0 73.9 55 53 A V G > S+ 0 0 18 -2,-0.3 3,-1.9 1,-0.3 4,-0.2 0.776 103.1 68.4 -70.5 -25.7 -49.7 27.8 71.4 56 54 A D G > S+ 0 0 112 1,-0.3 3,-0.9 2,-0.1 -1,-0.3 0.693 88.4 70.1 -67.0 -18.4 -51.7 24.8 70.2 57 55 A S G X S+ 0 0 40 -3,-1.2 3,-1.8 1,-0.2 -1,-0.3 0.535 71.1 87.8 -76.5 -6.8 -54.1 27.4 68.7 58 56 A L G X S+ 0 0 1 -3,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.713 73.3 72.6 -66.4 -17.5 -51.6 28.4 66.0 59 57 A K G < S+ 0 0 160 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.664 95.0 54.3 -65.9 -14.9 -52.9 25.6 63.8 60 58 A N G < S+ 0 0 113 -3,-1.8 2,-0.4 -4,-0.1 -1,-0.2 0.396 94.5 83.3-101.4 -2.4 -56.0 27.8 63.3 61 59 A L < + 0 0 22 -3,-1.3 2,-0.3 -4,-0.2 33,-0.1 -0.831 57.0 159.2-105.5 139.4 -54.1 30.9 62.2 62 60 A S + 0 0 84 -2,-0.4 31,-0.2 1,-0.1 32,-0.1 -0.985 45.3 30.3-155.9 165.7 -53.0 31.3 58.6 63 61 A N S S+ 0 0 100 29,-0.5 2,-0.2 -2,-0.3 31,-0.2 0.806 75.7 167.3 54.6 35.2 -52.0 33.6 55.8 64 62 A L E - c 0 94A 2 29,-2.8 31,-3.3 1,-0.1 -1,-0.2 -0.567 37.7-160.8 -81.7 140.6 -50.4 35.9 58.4 65 63 A D E S+ 0 0 34 -40,-2.7 34,-2.0 1,-0.3 2,-0.3 0.709 83.8 13.2 -84.7 -24.6 -48.0 38.8 57.4 66 64 A A E -bc 26 99A 0 -41,-1.3 -39,-2.7 32,-0.2 2,-0.4 -0.996 59.7-160.7-151.9 143.4 -46.7 38.8 61.0 67 65 A L E -bc 27 100A 0 32,-2.8 34,-2.9 -2,-0.3 2,-0.5 -0.988 9.6-166.0-125.8 121.8 -46.8 36.7 64.1 68 66 A I E -bc 28 101A 0 -41,-3.1 -39,-3.2 -2,-0.4 2,-0.5 -0.940 4.4-174.5-110.3 121.4 -46.0 38.2 67.4 69 67 A V E -bc 29 102A 0 32,-3.0 34,-2.8 -2,-0.5 2,-0.6 -0.961 5.4-172.1-119.1 116.0 -45.4 35.8 70.3 70 68 A N E - c 0 103A 0 -41,-2.9 -38,-0.3 -2,-0.5 34,-0.2 -0.893 64.4 -33.8-123.6 108.2 -44.9 37.4 73.7 71 69 A Q S S+ 0 0 42 32,-2.7 -1,-0.2 -2,-0.6 3,-0.2 0.880 99.8 120.3 55.6 44.2 -43.8 35.5 76.8 72 70 A A + 0 0 19 31,-0.4 3,-0.3 -43,-0.1 -17,-0.2 0.457 50.6 70.1-115.5 -4.5 -45.7 32.4 75.6 73 71 A L > + 0 0 2 30,-0.2 4,-2.1 1,-0.2 5,-0.2 -0.010 50.7 123.9-113.4 28.3 -43.0 29.7 75.3 74 72 A D T 4 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.894 85.8 37.7 -53.8 -43.8 -42.1 29.1 79.0 75 73 A E T >4 S+ 0 0 119 -3,-0.3 3,-1.5 1,-0.2 -1,-0.2 0.914 113.0 57.0 -73.7 -44.8 -42.9 25.4 78.5 76 74 A E G >4 S+ 0 0 10 1,-0.3 3,-1.6 -4,-0.2 7,-0.5 0.816 96.3 61.1 -59.6 -38.0 -41.5 25.0 75.0 77 75 A I G 3< S+ 0 0 10 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.596 108.7 45.1 -71.2 -6.5 -38.0 26.2 75.7 78 76 A N G < S+ 0 0 118 -3,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.245 113.9 52.5-113.4 8.2 -37.6 23.3 78.2 79 77 A D <> - 0 0 54 -3,-1.6 4,-2.3 1,-0.1 -1,-0.2 -0.873 61.9-162.1-152.4 107.4 -39.1 20.7 75.8 80 78 A S H > S+ 0 0 73 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.828 92.8 56.7 -66.3 -33.6 -37.8 20.2 72.3 81 79 A E H > S+ 0 0 142 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 111.0 42.6 -64.3 -42.6 -41.0 18.3 71.2 82 80 A K H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.873 113.9 52.6 -67.2 -38.8 -43.2 21.2 72.3 83 81 A L H X S+ 0 0 10 -4,-2.3 4,-2.4 -7,-0.5 -2,-0.2 0.893 107.9 51.5 -62.8 -41.0 -40.8 23.6 70.7 84 82 A D H X S+ 0 0 46 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.892 107.5 52.9 -62.6 -41.8 -40.9 21.7 67.5 85 83 A K H X S+ 0 0 141 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.878 111.0 47.3 -60.4 -40.5 -44.7 21.8 67.5 86 84 A F H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.927 111.5 47.5 -68.4 -47.7 -44.6 25.6 67.9 87 85 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.894 113.2 50.0 -62.5 -41.3 -42.1 26.3 65.2 88 86 A T H X S+ 0 0 28 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.938 114.3 43.5 -58.7 -50.3 -44.0 24.0 62.8 89 87 A A H X S+ 0 0 18 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.861 112.6 53.7 -67.5 -36.7 -47.3 25.7 63.5 90 88 A A H X S+ 0 0 0 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.904 108.9 48.1 -63.3 -45.8 -45.7 29.2 63.3 91 89 A L H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.905 111.7 49.9 -62.2 -42.4 -44.2 28.5 59.9 92 90 A R H < S+ 0 0 161 -4,-2.0 -29,-0.5 1,-0.2 -1,-0.2 0.806 108.3 53.5 -64.9 -32.0 -47.5 27.2 58.5 93 91 A S H < S+ 0 0 0 -4,-1.5 -29,-2.8 -31,-0.2 2,-0.3 0.742 99.3 77.2 -78.2 -23.3 -49.4 30.2 59.8 94 92 A L E < S-c 64 0A 4 -4,-1.0 -29,-0.2 -3,-0.4 -31,-0.2 -0.632 77.5-126.1 -93.8 144.9 -47.2 32.8 58.1 95 93 A R E > - 0 0 100 -31,-3.3 3,-2.1 -2,-0.3 68,-0.3 -0.445 51.2 -80.8 -67.8 155.5 -47.0 33.8 54.5 96 94 A T E 3 S+ 0 0 62 1,-0.3 68,-0.2 -2,-0.1 -1,-0.1 -0.447 125.3 22.9 -57.9 137.2 -43.6 33.5 52.9 97 95 A D E 3 S+ 0 0 88 66,-2.9 -1,-0.3 1,-0.3 67,-0.1 0.376 94.9 142.5 75.2 0.9 -41.6 36.6 53.9 98 96 A G E < - 0 0 4 -3,-2.1 65,-2.5 -34,-0.1 2,-0.4 -0.364 48.4-123.6 -68.0 152.7 -43.9 36.9 56.9 99 97 A V E -cD 66 162A 0 -34,-2.0 -32,-2.8 63,-0.2 2,-0.5 -0.842 15.1-157.0-109.8 134.0 -42.2 38.0 60.1 100 98 A L E -cD 67 161A 1 61,-3.0 61,-2.5 -2,-0.4 2,-0.6 -0.943 5.9-168.8-104.0 124.0 -42.0 36.3 63.4 101 99 A I E -cD 68 160A 0 -34,-2.9 -32,-3.0 -2,-0.5 2,-0.5 -0.963 11.1-176.3-110.0 114.4 -41.3 38.5 66.5 102 100 A L E -cD 69 159A 3 57,-2.1 57,-2.9 -2,-0.6 2,-0.5 -0.952 8.3-172.7-119.8 118.5 -40.6 36.3 69.5 103 101 A R E +cD 70 158A 0 -34,-2.8 -32,-2.7 -2,-0.5 -31,-0.4 -0.944 14.6 161.1-110.4 123.3 -40.1 37.8 72.9 104 102 A Q E - D 0 157A 4 53,-2.3 53,-2.0 -2,-0.5 2,-0.4 -0.967 33.4-134.6-144.7 127.6 -39.0 35.4 75.7 105 103 A D E - D 0 156A 34 -2,-0.3 51,-0.3 51,-0.3 3,-0.2 -0.662 19.5-179.3 -79.1 124.6 -37.3 36.3 79.0 106 104 A L > + 0 0 7 49,-2.9 3,-1.3 -2,-0.4 50,-0.2 0.252 53.6 102.7-108.5 13.4 -34.3 33.9 79.7 107 105 A S T 3 S+ 0 0 40 1,-0.3 -1,-0.1 48,-0.2 49,-0.1 0.745 82.3 50.1 -69.5 -23.9 -33.3 35.4 83.1 108 106 A K T 3 S+ 0 0 179 -3,-0.2 2,-0.7 3,-0.0 -1,-0.3 0.360 90.8 95.2 -95.8 3.8 -35.0 32.5 85.0 109 107 A V < - 0 0 17 -3,-1.3 5,-0.1 1,-0.1 -3,-0.0 -0.866 62.0-160.4 -96.1 107.6 -33.2 30.0 82.8 110 108 A K + 0 0 183 -2,-0.7 2,-0.7 3,-0.1 -1,-0.1 0.771 69.1 93.4 -61.9 -27.5 -30.0 28.9 84.5 111 109 A E > - 0 0 117 1,-0.2 3,-1.2 2,-0.1 4,-0.2 -0.565 62.2-163.9 -68.6 112.6 -28.4 27.6 81.2 112 110 A X T > S+ 0 0 48 -2,-0.7 3,-0.5 1,-0.3 4,-0.2 0.815 85.1 56.5 -71.5 -29.1 -26.5 30.7 80.1 113 111 A K T 3> S+ 0 0 49 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.370 76.2 107.5 -80.6 3.7 -26.1 29.4 76.5 114 112 A K H <> S+ 0 0 34 -3,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.854 75.6 49.8 -53.4 -45.7 -29.9 29.1 76.1 115 113 A X H <> S+ 0 0 5 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.911 113.6 47.1 -59.5 -42.6 -30.3 32.1 73.8 116 114 A A H > S+ 0 0 4 -3,-0.2 4,-1.8 -4,-0.2 -2,-0.2 0.885 112.1 49.2 -67.4 -42.1 -27.5 30.8 71.6 117 115 A X H X S+ 0 0 94 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.873 111.9 49.0 -67.1 -37.8 -28.9 27.3 71.5 118 116 A L H X S+ 0 0 7 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.885 108.0 54.2 -66.4 -43.7 -32.4 28.6 70.6 119 117 A T H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.923 109.6 46.4 -59.7 -44.3 -31.1 30.8 67.8 120 118 A D H X S+ 0 0 49 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.905 110.8 54.1 -64.3 -38.3 -29.4 27.9 66.1 121 119 A Y H X S+ 0 0 81 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.912 111.8 43.6 -62.8 -44.5 -32.5 25.8 66.5 122 120 A F H < S+ 0 0 4 -4,-2.5 14,-0.7 1,-0.2 -1,-0.2 0.870 115.2 49.7 -65.3 -37.8 -34.6 28.5 64.8 123 121 A D H < S+ 0 0 16 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.827 117.7 39.2 -72.2 -28.3 -31.9 29.0 62.1 124 122 A V H < S+ 0 0 74 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.758 85.5 111.9 -94.4 -28.9 -31.6 25.3 61.4 125 123 A F < - 0 0 34 -4,-2.0 11,-0.4 -5,-0.2 2,-0.4 -0.168 45.8-170.2 -56.8 133.4 -35.2 24.1 61.6 126 124 A R - 0 0 95 9,-0.1 2,-0.4 7,-0.0 9,-0.2 -0.983 8.5-167.9-129.2 140.3 -36.7 23.0 58.3 127 125 A L E -E 134 0A 18 7,-2.7 7,-2.9 -2,-0.4 2,-0.3 -0.990 27.2-117.8-126.3 132.5 -40.3 22.2 57.4 128 126 A E E +E 133 0A 136 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.524 40.5 165.8 -65.8 125.6 -41.5 20.5 54.3 129 127 A E E > -E 132 0A 74 3,-2.5 3,-0.9 -2,-0.3 2,-0.2 -0.886 58.6 -40.2-146.1 112.3 -43.8 22.9 52.4 130 128 A G T 3 S- 0 0 56 -2,-0.3 4,-0.1 1,-0.2 -1,-0.0 -0.498 120.0 -23.1 69.8-136.8 -44.7 22.1 48.8 131 129 A N T 3 S+ 0 0 171 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.2 0.085 134.8 28.6 -97.6 24.0 -41.9 20.8 46.7 132 130 A G E < S-E 129 0A 17 -3,-0.9 -3,-2.5 35,-0.1 2,-0.3 -0.794 89.0 -82.3-153.4-163.0 -39.3 22.3 48.9 133 131 A N E -EF 128 166A 32 33,-3.2 33,-3.5 -5,-0.2 2,-0.3 -0.768 25.8-154.3-111.8 160.2 -38.6 23.3 52.5 134 132 A V E +EF 127 165A 3 -7,-2.9 -7,-2.7 -2,-0.3 2,-0.3 -0.931 23.8 148.2-125.2 159.3 -39.4 26.4 54.5 135 133 A G E - F 0 164A 0 29,-1.9 29,-2.7 -2,-0.3 2,-0.5 -0.953 46.1 -75.7-169.4-179.7 -37.7 27.8 57.6 136 134 A F E - F 0 163A 3 -14,-0.7 2,-0.4 -11,-0.4 27,-0.2 -0.811 32.5-144.9 -97.9 130.6 -36.8 31.0 59.4 137 135 A Q E - F 0 162A 80 25,-4.0 25,-2.1 -2,-0.5 2,-0.3 -0.797 26.9-119.2 -88.4 135.2 -34.2 33.4 58.2 138 136 A F E + F 0 161A 25 -2,-0.4 23,-0.2 23,-0.2 3,-0.1 -0.540 42.6 157.9 -77.2 136.0 -32.3 35.0 61.0 139 137 A Y E - 0 0 31 21,-1.7 138,-0.5 1,-0.3 2,-0.3 0.677 57.5 -35.1-115.8 -55.5 -32.4 38.8 61.3 140 138 A A E -GF 276 160A 0 20,-1.3 20,-2.9 136,-0.1 2,-0.4 -0.994 30.8-140.7-162.8 159.9 -31.6 39.8 64.9 141 139 A V E -GF 275 159A 2 134,-2.0 134,-2.2 -2,-0.3 2,-0.3 -0.995 32.7-178.7-122.6 124.5 -31.8 39.1 68.6 142 140 A N E - F 0 158A 13 16,-2.8 16,-2.6 -2,-0.4 2,-0.3 -0.813 26.2-115.7-115.5 162.2 -32.3 42.3 70.6 143 141 A E E - F 0 157A 5 130,-0.5 2,-0.7 -2,-0.3 14,-0.2 -0.743 31.0-113.0 -89.2 143.8 -32.6 42.9 74.3 144 142 A V > - 0 0 0 12,-3.0 4,-1.2 -2,-0.3 3,-0.4 -0.713 30.7-157.7 -70.5 114.5 -35.9 44.2 75.7 145 143 A L H > S+ 0 0 32 -2,-0.7 4,-2.5 1,-0.2 5,-0.3 0.866 86.3 60.3 -73.2 -32.4 -34.6 47.6 76.8 146 144 A D H >>S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.5 0.879 104.2 53.2 -56.5 -37.1 -37.3 48.2 79.4 147 145 A S H >5S+ 0 0 3 -3,-0.4 6,-2.4 1,-0.2 4,-1.0 0.848 109.1 47.9 -72.7 -34.4 -36.0 45.1 81.1 148 146 A V H X5S+ 0 0 2 -4,-1.2 4,-1.0 4,-0.3 -2,-0.2 0.954 118.3 38.8 -64.9 -48.8 -32.5 46.4 81.2 149 147 A Y H <5S+ 0 0 30 -4,-2.5 552,-2.3 2,-0.2 -2,-0.2 0.745 128.3 28.3 -82.3 -24.9 -33.3 49.8 82.6 150 148 A V H <5S+ 0 0 33 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.803 133.6 25.4-106.0 -32.5 -36.1 49.0 85.0 151 149 A H H < - 0 0 47 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.261 29.6-109.7 -67.8 158.6 -25.1 30.7 56.6 174 174 A F H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.914 118.9 52.0 -56.4 -45.4 -22.5 33.4 57.5 175 175 A R H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 109.3 48.8 -58.9 -43.7 -23.6 33.2 61.2 176 176 A D H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.856 106.1 56.6 -69.0 -35.1 -23.2 29.5 61.4 177 177 A F H X S+ 0 0 36 -4,-2.1 4,-1.5 2,-0.2 5,-0.5 0.941 110.5 45.5 -58.8 -46.5 -19.7 29.6 59.8 178 178 A L H <>S+ 0 0 0 -4,-1.9 5,-2.0 1,-0.2 3,-0.3 0.950 116.6 44.1 -59.4 -49.0 -18.7 31.9 62.6 179 179 A D H <5S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.759 120.2 40.8 -70.7 -24.9 -20.3 29.9 65.3 180 180 A R H <5S+ 0 0 142 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.593 125.7 22.9-101.5 -11.7 -19.0 26.5 63.9 181 181 A T T ><5S+ 0 0 54 -4,-1.5 3,-0.6 -3,-0.3 -3,-0.2 0.673 126.3 10.0-119.3 -86.4 -15.5 27.5 62.9 182 182 A Q T 3 5S+ 0 0 20 -5,-0.5 2,-0.2 1,-0.2 -3,-0.1 0.892 126.6 44.8 -72.9 -38.4 -13.4 30.4 64.2 183 183 A Y T 3 - 0 0 38 -3,-0.6 4,-2.9 -2,-0.2 5,-0.1 -0.362 64.0-104.5 -64.8 161.4 -16.6 28.3 68.9 185 185 A D H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.899 122.5 46.3 -56.7 -46.4 -16.9 28.2 72.8 186 186 A T H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 113.6 49.8 -65.7 -39.9 -13.6 26.2 73.2 187 187 A G H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.913 109.9 52.7 -61.5 -43.2 -11.9 28.6 70.8 188 188 A I H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.929 110.6 44.1 -60.6 -50.6 -13.3 31.6 72.7 189 189 A F H X S+ 0 0 72 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.844 115.5 48.6 -69.9 -30.2 -12.0 30.5 76.1 190 190 A A H X S+ 0 0 12 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.910 114.8 46.3 -69.7 -42.4 -8.6 29.5 74.7 191 191 A Y H X S+ 0 0 45 -4,-2.8 4,-2.5 1,-0.2 5,-0.4 0.908 109.1 53.9 -61.0 -47.4 -8.5 32.9 72.8 192 192 A E H X S+ 0 0 17 -4,-2.9 4,-2.1 1,-0.2 7,-0.3 0.846 103.5 58.7 -57.9 -36.2 -9.5 34.9 75.9 193 193 A W H < S+ 0 0 55 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.899 112.6 36.7 -62.8 -42.3 -6.7 33.3 77.8 194 194 A I H < S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.886 121.8 41.7 -80.2 -39.9 -4.0 34.6 75.5 195 195 A F H < S- 0 0 12 -4,-2.5 -3,-0.2 4,-0.3 -2,-0.2 0.877 120.2-101.2 -75.8 -36.3 -5.4 38.0 74.6 196 196 A G >< - 0 0 21 -4,-2.1 3,-2.3 -5,-0.4 -1,-0.2 -0.395 56.1 -35.7 126.4 153.3 -6.5 38.7 78.2 197 197 A N T 3 S- 0 0 125 1,-0.3 8,-0.1 -2,-0.2 3,-0.1 -0.094 125.6 -1.7 -43.6 127.2 -9.8 38.6 80.1 198 198 A N T 3 S+ 0 0 49 1,-0.2 35,-1.7 6,-0.0 2,-0.4 0.440 111.0 104.1 70.8 4.0 -12.8 39.7 78.1 199 199 A F < + 0 0 4 -3,-2.3 -3,-0.3 -7,-0.3 -4,-0.3 -0.919 40.6 178.1-119.8 144.6 -10.8 40.5 75.0 200 200 A I + 0 0 3 -2,-0.4 -1,-0.1 -5,-0.1 -8,-0.1 -0.028 66.5 86.7-122.6 26.2 -10.3 38.5 71.7 201 201 A S S > S- 0 0 0 -5,-0.1 3,-1.5 664,-0.1 7,-0.1 -0.937 91.2 -80.2-130.6 149.1 -8.1 41.2 70.2 202 202 A P T 3 S+ 0 0 0 0, 0.0 -7,-0.1 0, 0.0 -2,-0.1 -0.146 108.8 14.6 -47.9 130.0 -4.3 41.7 70.4 203 203 A G T 3> S- 0 0 23 174,-0.1 4,-1.3 4,-0.1 3,-0.4 0.292 90.5-139.9 91.4 -8.4 -3.0 43.4 73.6 204 204 A G H <> - 0 0 3 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 -0.151 63.8 -11.5 58.0-144.8 -6.0 43.1 75.8 205 205 A W H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 134.5 49.3 -61.1 -49.5 -7.1 45.8 78.2 206 206 A N H > S+ 0 0 129 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.872 113.9 46.1 -61.4 -39.2 -4.1 48.1 77.9 207 207 A Q H X S+ 0 0 18 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.911 110.0 52.0 -72.9 -42.3 -4.0 48.1 74.2 208 208 A N H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.847 107.3 54.0 -62.0 -34.1 -7.7 48.7 73.7 209 209 A L H X S+ 0 0 24 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.885 106.1 52.3 -67.0 -40.6 -7.5 51.7 76.0 210 210 A A H < S+ 0 0 45 -4,-1.4 4,-0.4 1,-0.2 -2,-0.2 0.894 111.2 47.3 -62.5 -40.1 -4.7 53.2 73.9 211 211 A I H >< S+ 0 0 2 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.902 107.6 54.7 -67.6 -43.0 -6.8 52.8 70.7 212 212 A L H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 4,-0.2 0.853 101.1 61.5 -59.8 -33.9 -9.9 54.3 72.3 213 213 A K G >< S+ 0 0 126 -4,-1.6 3,-1.5 1,-0.3 -1,-0.3 0.715 87.7 72.0 -65.5 -21.3 -7.8 57.3 73.2 214 214 A R G < S+ 0 0 67 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.475 80.2 73.7 -77.4 -1.6 -7.2 57.9 69.5 215 215 A F G < S- 0 0 5 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.695 101.3-139.4 -70.7 -22.0 -10.8 59.1 69.2 216 216 A G < + 0 0 32 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.1 -0.542 58.5 3.9 86.2-161.4 -9.6 62.2 70.9 217 217 A P - 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