==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-AUG-05 2AN5 . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.L.GEE,J.D.A.TYNDALL,G.L.GRUNEWALD,Q.WU,M.J.MCLEISH, . 528 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 30 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 0 0 1 1 3 5 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 1 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 0 0 2 0 0 0 2 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 . 0 2 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 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 23 A V >> 0 0 59 0, 0.0 3,-2.5 0, 0.0 4,-1.4 0.000 360.0 360.0 360.0 -40.7 34.3 49.9 32.8 2 24 A A T 34 + 0 0 48 1,-0.3 4,-0.0 2,-0.2 163,-0.0 0.749 360.0 51.0 -36.1 -41.7 35.0 53.6 32.1 3 25 A S T >4 S+ 0 0 96 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.789 103.9 58.0 -72.6 -28.6 38.8 53.0 32.4 4 26 A A G X4 S+ 0 0 24 -3,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.875 97.8 60.6 -68.4 -37.0 38.7 50.0 30.0 5 27 A Y G 3< S+ 0 0 2 -4,-1.4 3,-0.5 1,-0.3 -1,-0.3 0.480 86.9 78.5 -69.9 0.7 37.2 52.3 27.3 6 28 A Q G < S+ 0 0 125 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.757 93.1 47.2 -79.9 -24.3 40.3 54.4 27.5 7 29 A R S < S+ 0 0 172 -3,-1.6 198,-0.6 -4,-0.3 197,-0.3 0.312 84.5 136.9 -96.6 8.3 42.3 51.8 25.4 8 30 A F - 0 0 8 -3,-0.5 195,-0.1 196,-0.1 75,-0.1 -0.352 42.9-154.4 -59.4 122.8 39.4 51.7 22.9 9 31 A E > - 0 0 80 193,-1.7 4,-2.6 1,-0.2 3,-0.5 -0.859 4.5-163.0-106.8 101.6 40.7 51.8 19.3 10 32 A P H > S+ 0 0 16 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.838 91.1 48.9 -47.9 -43.8 38.0 53.2 16.9 11 33 A R H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.870 111.6 48.5 -68.6 -36.8 39.8 51.8 13.8 12 34 A A H > S+ 0 0 16 -3,-0.5 4,-1.6 2,-0.2 191,-0.2 0.897 112.8 48.8 -69.9 -39.3 40.1 48.3 15.3 13 35 A Y H X S+ 0 0 9 -4,-2.6 4,-1.8 189,-0.2 5,-0.3 0.940 110.8 49.8 -64.6 -47.0 36.5 48.3 16.3 14 36 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.891 112.2 47.9 -58.2 -42.5 35.3 49.4 12.9 15 37 A R H < S+ 0 0 175 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.797 110.7 52.2 -68.6 -31.7 37.3 46.7 11.2 16 38 A N H < S+ 0 0 24 -4,-1.6 6,-0.2 -5,-0.1 -1,-0.2 0.799 127.7 18.2 -75.2 -30.4 36.0 44.1 13.6 17 39 A N H < S+ 0 0 17 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.627 129.9 36.3-119.7 -18.0 32.4 45.0 13.0 18 40 A Y S < S+ 0 0 8 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.308 101.9 72.6-124.0 11.8 31.9 46.9 9.8 19 41 A A S > S- 0 0 25 -4,-0.5 4,-1.8 -5,-0.3 3,-0.5 -0.759 94.1 -28.6-116.1 161.9 34.5 45.3 7.5 20 42 A P T 4 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.195 122.1 27.3 -52.3 146.4 34.2 41.9 6.0 21 43 A P T >4 S+ 0 0 63 0, 0.0 3,-1.7 0, 0.0 219,-0.1 -0.929 140.8 24.3 -76.0 -33.5 32.8 39.4 6.9 22 44 A R T 34 S+ 0 0 14 -3,-0.5 10,-0.4 1,-0.3 -5,-0.1 0.749 126.1 54.3 -63.9 -21.5 30.2 41.4 9.0 23 45 A G T 3< S+ 0 0 8 -4,-1.8 2,-0.9 -8,-0.2 -1,-0.3 0.363 80.2 101.2 -94.0 3.7 30.8 44.3 6.7 24 46 A D < - 0 0 83 -3,-1.7 3,-0.5 -5,-0.3 8,-0.2 -0.826 48.9-179.1 -89.5 108.1 30.1 42.4 3.6 25 47 A L + 0 0 7 -2,-0.9 -1,-0.1 1,-0.2 5,-0.1 0.341 59.3 91.2 -91.8 6.1 26.5 43.5 2.8 26 48 A a S S+ 0 0 19 1,-0.1 359,-0.2 2,-0.1 -1,-0.2 0.809 71.2 75.1 -71.5 -30.1 26.1 41.3 -0.3 27 49 A N S > S- 0 0 65 -3,-0.5 3,-2.2 1,-0.2 -1,-0.1 -0.763 73.6-153.6 -85.7 112.6 24.7 38.4 1.7 28 50 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.644 92.1 63.0 -59.4 -14.7 21.1 39.3 2.5 29 51 A N T 3 S+ 0 0 116 4,-0.1 2,-0.1 5,-0.0 -3,-0.0 0.285 82.1 111.6 -94.5 10.4 21.3 37.0 5.5 30 52 A G S <> S- 0 0 5 -3,-2.2 4,-1.4 1,-0.1 5,-0.1 -0.308 79.6-115.1 -80.4 166.6 24.1 39.1 7.2 31 53 A V H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.846 113.3 57.4 -69.6 -33.0 23.8 41.1 10.4 32 54 A G H > S+ 0 0 1 -10,-0.4 4,-2.5 2,-0.2 5,-0.3 0.977 107.2 45.3 -61.6 -56.5 24.4 44.4 8.5 33 55 A P H > S+ 0 0 6 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.858 114.2 52.0 -55.5 -36.0 21.5 43.9 6.0 34 56 A W H X S+ 0 0 29 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.966 109.6 46.1 -66.6 -55.0 19.3 42.9 9.0 35 57 A K H X S+ 0 0 9 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.930 115.3 47.7 -53.3 -48.5 20.1 46.0 11.1 36 58 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.879 110.7 52.1 -61.2 -38.7 19.6 48.3 8.1 37 59 A R H X S+ 0 0 79 -4,-2.0 4,-3.1 -5,-0.3 5,-0.3 0.925 108.2 50.8 -64.6 -44.5 16.4 46.6 7.3 38 60 A C H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.955 114.1 43.7 -56.8 -53.1 15.0 47.0 10.8 39 61 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.928 116.7 47.1 -57.3 -49.8 15.8 50.7 10.8 40 62 A A H X S+ 0 0 4 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.938 111.9 47.5 -59.8 -53.6 14.5 51.3 7.3 41 63 A Q H < S+ 0 0 92 -4,-3.1 4,-0.2 1,-0.2 -1,-0.2 0.893 111.9 53.1 -56.8 -40.8 11.2 49.4 7.7 42 64 A T H ><>S+ 0 0 6 -4,-2.2 3,-1.5 -5,-0.3 5,-0.5 0.949 111.0 42.8 -61.2 -53.9 10.6 51.3 11.0 43 65 A F H ><5S+ 0 0 2 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.672 104.2 69.2 -67.4 -15.6 11.1 54.8 9.6 44 66 A A T 3<5S+ 0 0 83 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.498 85.8 67.5 -81.4 -3.8 9.0 53.7 6.6 45 67 A T T < 5S- 0 0 67 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.631 99.5-136.4 -86.6 -17.9 5.9 53.5 8.7 46 68 A G T < 5S+ 0 0 47 -3,-0.8 3,-0.1 -4,-0.3 -3,-0.1 0.701 75.8 111.3 69.6 19.9 6.0 57.3 9.1 47 69 A E < + 0 0 91 -5,-0.5 2,-1.2 1,-0.2 -4,-0.1 0.707 63.1 68.7 -93.7 -24.5 5.3 57.0 12.8 48 70 A V S S+ 0 0 1 -6,-0.3 2,-0.3 -5,-0.1 -1,-0.2 -0.725 74.1 139.5 -97.5 86.1 8.7 58.1 13.9 49 71 A S + 0 0 73 -2,-1.2 2,-0.3 -3,-0.1 23,-0.1 -0.895 11.2 107.8-129.2 157.5 8.7 61.7 12.8 50 72 A G - 0 0 33 21,-1.1 23,-0.3 -2,-0.3 3,-0.1 -0.988 63.4 -90.6 166.4-170.8 9.9 65.0 14.2 51 73 A R S S+ 0 0 116 -2,-0.3 23,-2.4 1,-0.2 22,-0.5 0.803 98.8 39.5-101.0 -41.1 12.4 67.9 14.1 52 74 A T E +a 74 0A 8 21,-0.2 102,-1.4 20,-0.1 103,-0.8 -0.861 56.7 175.6-118.0 150.9 15.1 66.7 16.4 53 75 A L E -ab 75 155A 0 21,-2.3 23,-2.7 -2,-0.3 2,-0.4 -0.990 13.1-153.6-150.7 139.4 16.8 63.4 17.1 54 76 A I E -ab 76 156A 1 101,-2.0 103,-2.0 -2,-0.3 2,-0.7 -0.952 7.0-149.4-119.9 136.0 19.7 62.3 19.3 55 77 A D E > -ab 77 157A 0 21,-3.3 23,-1.1 -2,-0.4 3,-0.7 -0.907 18.0-148.1-105.0 110.7 22.0 59.3 18.8 56 78 A I T 3 S- 0 0 0 101,-2.1 103,-0.5 -2,-0.7 106,-0.1 -0.691 75.9 -2.6 -84.0 119.1 23.2 57.9 22.1 57 79 A G T 3 S+ 0 0 2 -2,-0.6 -1,-0.2 101,-0.1 22,-0.2 0.920 72.0 175.9 69.0 46.7 26.7 56.4 22.0 58 80 A S X - 0 0 0 20,-1.8 3,-1.7 -3,-0.7 21,-0.2 0.731 12.8-174.7 -53.1 -30.2 27.4 56.8 18.3 59 81 A G T 3 - 0 0 0 19,-0.7 -1,-0.2 1,-0.2 29,-0.1 -0.308 62.0 -40.7 60.1-149.6 30.9 55.5 18.6 60 82 A P T 3 S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.175 115.1 98.9 -96.1 22.0 32.8 55.8 15.3 61 83 A T < + 0 0 0 -3,-1.7 27,-0.0 1,-0.1 40,-0.0 -0.737 40.8 177.4-114.1 159.5 29.8 54.7 13.2 62 84 A V >> + 0 0 1 -2,-0.3 3,-2.2 2,-0.1 4,-0.5 0.460 61.3 94.6-130.0 -10.0 27.0 56.4 11.2 63 85 A Y G >4 S+ 0 0 1 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.839 75.7 70.6 -55.1 -34.2 25.0 53.5 9.7 64 86 A Q G 34 S+ 0 0 2 1,-0.2 -1,-0.3 -6,-0.1 4,-0.1 0.543 104.4 41.2 -63.1 -4.4 22.5 53.7 12.6 65 87 A L G <> S+ 0 0 0 -3,-2.2 4,-3.4 3,-0.1 -1,-0.2 0.498 81.0 101.0-120.4 -7.0 21.3 57.0 11.1 66 88 A L T << S+ 0 0 0 -3,-1.2 4,-0.3 -4,-0.5 -2,-0.1 0.862 96.2 29.8 -48.9 -47.9 21.1 56.5 7.3 67 89 A S T >4 S+ 0 0 6 -4,-0.4 3,-0.9 2,-0.1 -1,-0.2 0.862 120.4 55.4 -81.6 -35.5 17.4 55.9 7.2 68 90 A A G >> S+ 0 0 0 1,-0.2 3,-3.4 2,-0.1 4,-0.6 0.928 90.1 73.3 -60.8 -49.2 16.6 58.1 10.1 69 91 A C G 3< S+ 0 0 0 -4,-3.4 3,-0.4 1,-0.3 -1,-0.2 0.671 89.5 59.9 -42.2 -28.4 18.4 61.3 8.8 70 92 A S G <4 S+ 0 0 30 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.561 104.6 49.1 -83.4 -4.3 15.6 61.9 6.2 71 93 A H T <4 S+ 0 0 53 -3,-3.4 -21,-1.1 1,-0.2 2,-0.4 0.490 109.8 49.8-108.5 -6.9 12.9 62.3 8.9 72 94 A F < - 0 0 0 -4,-0.6 -21,-0.2 -3,-0.4 -1,-0.2 -0.998 56.5-162.9-136.5 132.0 14.7 64.7 11.3 73 95 A E S S+ 0 0 110 -22,-0.5 2,-0.6 -2,-0.4 -21,-0.2 0.685 82.8 54.1 -86.2 -21.2 16.4 68.0 10.4 74 96 A D E +a 52 0A 13 -23,-2.4 -21,-2.3 55,-0.1 2,-0.5 -0.901 69.5 179.4-118.5 103.0 18.4 68.4 13.6 75 97 A I E -ac 53 129A 0 53,-3.6 55,-1.6 -2,-0.6 56,-1.1 -0.902 9.9-165.1-109.2 127.4 20.6 65.4 14.4 76 98 A T E -ac 54 131A 1 -23,-2.7 -21,-3.3 -2,-0.5 2,-0.3 -0.940 4.1-164.5-111.6 122.1 22.8 65.2 17.4 77 99 A M E -ac 55 132A 0 54,-2.9 56,-2.6 -2,-0.5 2,-0.3 -0.809 14.6-175.3-103.4 147.4 25.5 62.4 17.5 78 100 A T E + c 0 133A 0 -23,-1.1 -20,-1.8 -2,-0.3 -19,-0.7 -0.873 14.6 163.5-139.7 170.4 27.2 61.6 20.8 79 101 A D - 0 0 0 54,-1.7 56,-0.4 -2,-0.3 6,-0.1 -0.785 40.1-123.9 173.9 145.5 29.9 59.5 22.5 80 102 A F S S+ 0 0 60 54,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.598 89.7 72.1 -69.2 -15.8 32.0 59.1 25.7 81 103 A L > - 0 0 9 1,-0.2 4,-2.2 -3,-0.0 5,-0.2 -0.896 62.6-152.6-117.2 138.1 35.3 59.2 23.8 82 104 A E H > S+ 0 0 108 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 0.957 101.0 58.8 -59.9 -51.2 37.2 62.0 22.1 83 105 A V H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.825 108.6 44.4 -48.0 -40.5 38.8 59.5 19.7 84 106 A N H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.960 113.1 48.7 -70.6 -52.1 35.4 58.4 18.5 85 107 A R H X S+ 0 0 44 -4,-2.2 4,-2.7 1,-0.3 -2,-0.2 0.865 110.9 53.2 -55.1 -36.6 34.0 61.9 18.1 86 108 A Q H X S+ 0 0 92 -4,-3.2 4,-1.7 1,-0.2 -1,-0.3 0.914 109.5 48.1 -64.4 -41.8 37.2 62.7 16.2 87 109 A E H X S+ 0 0 11 -4,-1.6 4,-1.1 -5,-0.3 12,-0.3 0.897 110.6 51.7 -65.5 -41.3 36.6 59.7 13.9 88 110 A L H >X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 3,-1.2 0.963 110.0 48.0 -59.4 -52.5 33.0 60.9 13.4 89 111 A G H 3X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.3 6,-0.3 0.829 103.4 63.2 -58.1 -32.7 34.0 64.4 12.5 90 112 A R H 3X>S+ 0 0 64 -4,-1.7 5,-1.7 1,-0.2 4,-0.6 0.821 111.4 36.5 -63.0 -31.7 36.6 62.9 10.1 91 113 A W H <<5S+ 0 0 9 -3,-1.2 -2,-0.2 -4,-1.1 -1,-0.2 0.856 113.2 57.3 -86.8 -39.8 33.8 61.4 8.0 92 114 A L H <5S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.838 115.4 37.0 -59.2 -34.5 31.4 64.3 8.5 93 115 A Q H <5S- 0 0 122 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.691 107.7-123.9 -90.3 -21.1 33.9 66.7 7.0 94 116 A E T <5 + 0 0 137 -4,-0.6 -3,-0.2 -5,-0.3 -4,-0.1 0.829 53.7 162.5 78.4 36.1 35.2 64.2 4.4 95 117 A E > < - 0 0 95 -5,-1.7 3,-1.0 -6,-0.3 2,-0.2 -0.047 47.8 -63.4 -76.0-179.0 38.8 64.6 5.6 96 118 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.488 117.9 13.9 -72.8 138.2 41.6 62.3 4.9 97 119 A G T 3 S+ 0 0 45 -2,-0.2 -6,-0.1 1,-0.2 -7,-0.1 0.714 80.4 157.4 76.5 20.5 41.3 58.7 6.3 98 120 A A < - 0 0 29 -3,-1.0 2,-0.2 -8,-0.2 -1,-0.2 -0.353 51.9 -97.4 -69.9 162.1 37.6 58.8 7.1 99 121 A F - 0 0 39 -12,-0.3 2,-0.9 -39,-0.1 -1,-0.1 -0.567 36.3-117.3 -79.2 148.0 36.0 55.4 7.2 100 122 A N + 0 0 97 -2,-0.2 3,-0.3 1,-0.1 4,-0.2 -0.756 39.5 166.2 -93.0 104.6 34.2 54.4 4.1 101 123 A W > + 0 0 2 -2,-0.9 4,-2.9 1,-0.2 3,-0.2 0.267 44.0 109.9 -96.3 11.7 30.4 53.9 4.7 102 124 A S H > S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.860 73.7 53.6 -57.8 -40.2 29.5 53.8 1.1 103 125 A M H > S+ 0 0 50 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.926 114.9 44.1 -60.8 -39.9 28.6 50.1 1.0 104 126 A Y H > S+ 0 0 5 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.921 112.4 50.5 -68.0 -46.0 26.3 50.8 3.9 105 127 A S H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.919 110.4 51.6 -57.2 -46.6 24.9 54.0 2.4 106 128 A Q H X S+ 0 0 5 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.899 109.0 48.3 -58.4 -45.8 24.1 52.1 -0.9 107 129 A H H X S+ 0 0 17 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.823 105.8 57.4 -69.4 -28.6 22.3 49.3 0.8 108 130 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.873 109.7 46.9 -66.7 -34.1 20.2 51.8 2.8 109 131 A C H X>S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 5,-0.6 0.878 112.3 49.9 -71.8 -38.3 19.1 53.2 -0.6 110 132 A L H <5S+ 0 0 18 -4,-2.0 -2,-0.2 2,-0.2 273,-0.2 0.970 115.1 42.7 -60.4 -57.5 18.5 49.7 -1.9 111 133 A I H <5S+ 0 0 54 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.901 114.5 48.1 -58.3 -49.9 16.3 48.7 1.1 112 134 A E H <5S- 0 0 35 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.929 92.4-159.7 -60.5 -40.6 14.4 52.0 1.3 113 135 A G T <5 + 0 0 52 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.1 0.932 47.2 129.1 62.7 49.0 13.9 51.7 -2.4 114 136 A K S - 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