==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-NOV-09 3KQV . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.DRINKWATER,J.L.MARTIN . 527 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 70.6 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 . 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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 27.9 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 2 0 0 0 0 2 2 7 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 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 24 A A 0 0 88 0, 0.0 4,-0.1 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 -52.2 35.3 53.0 32.0 2 25 A S > + 0 0 103 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.654 360.0 66.7 -81.9 -19.4 39.1 52.9 32.1 3 26 A A G > S+ 0 0 41 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.881 93.1 58.8 -66.2 -37.6 38.8 50.0 29.7 4 27 A Y G > S+ 0 0 12 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.607 86.1 78.8 -69.9 -9.3 37.5 52.3 27.0 5 28 A Q G < S+ 0 0 128 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.661 97.3 43.8 -74.6 -13.5 40.6 54.4 27.3 6 29 A R G < S+ 0 0 177 -3,-1.6 198,-0.6 -4,-0.2 197,-0.4 0.382 83.4 132.3-105.7 -0.1 42.4 51.8 25.1 7 30 A F < - 0 0 8 -3,-0.8 195,-0.1 -4,-0.2 75,-0.1 -0.346 45.6-153.6 -55.9 118.4 39.5 51.6 22.7 8 31 A E > - 0 0 79 193,-1.9 4,-2.4 -2,-0.2 3,-0.4 -0.866 6.0-158.1-101.5 107.8 40.8 51.8 19.1 9 32 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.857 92.8 50.4 -48.6 -45.1 38.2 53.1 16.6 10 33 A R H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.874 110.2 49.5 -67.1 -37.8 40.0 51.6 13.6 11 34 A A H > S+ 0 0 17 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.915 111.7 49.8 -63.6 -43.6 40.2 48.2 15.2 12 35 A Y H X S+ 0 0 9 -4,-2.4 4,-1.8 2,-0.2 5,-0.3 0.918 112.0 46.9 -60.6 -46.2 36.5 48.4 16.1 13 36 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.915 113.3 48.9 -62.9 -44.9 35.5 49.4 12.5 14 37 A R H X S+ 0 0 191 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.908 112.5 49.5 -58.8 -43.1 37.7 46.6 11.1 15 38 A N H < S+ 0 0 29 -4,-2.4 6,-0.2 -5,-0.2 -1,-0.2 0.816 128.6 17.0 -67.4 -34.0 36.1 44.1 13.5 16 39 A N H < S+ 0 0 24 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.600 129.0 39.5-119.9 -16.9 32.5 44.9 12.8 17 40 A Y H < S+ 0 0 10 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.285 101.0 68.6-128.7 11.6 32.2 46.9 9.6 18 41 A A S X S- 0 0 29 -4,-0.7 4,-1.4 -5,-0.3 3,-0.4 -0.831 94.5 -23.2-119.2 163.4 34.6 45.2 7.2 19 42 A P T 4 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.125 122.1 19.1 -50.2 144.8 34.3 41.7 5.8 20 43 A P T >4 S+ 0 0 65 0, 0.0 3,-2.1 0, 0.0 219,-0.1 -0.931 139.0 30.5 -81.6 -29.8 32.8 39.3 6.7 21 44 A R T 34 S+ 0 0 12 -3,-0.4 10,-0.5 1,-0.3 -5,-0.1 0.763 124.7 51.0 -60.8 -24.3 30.4 41.2 9.0 22 45 A G T 3< S+ 0 0 10 -4,-1.4 2,-0.7 -8,-0.2 -1,-0.3 0.347 78.9 111.9 -95.6 4.2 30.7 44.2 6.7 23 46 A D < - 0 0 80 -3,-2.1 8,-0.3 -5,-0.3 3,-0.2 -0.714 41.7-179.2 -77.2 117.8 29.9 42.3 3.5 24 47 A L + 0 0 8 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.476 59.0 88.9 -98.2 -3.4 26.5 43.6 2.5 25 48 A a S S+ 0 0 20 1,-0.1 359,-0.3 2,-0.1 -1,-0.2 0.894 77.1 67.0 -64.7 -41.7 26.0 41.5 -0.6 26 49 A N S > S- 0 0 72 -3,-0.2 3,-1.8 1,-0.1 -1,-0.1 -0.736 73.4-152.8 -84.5 118.3 24.4 38.6 1.2 27 50 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.609 90.3 68.9 -67.6 -12.0 20.9 39.7 2.5 28 51 A N T 3 S+ 0 0 123 4,-0.1 -3,-0.0 5,-0.0 -4,-0.0 0.389 81.2 103.5 -86.6 2.5 21.2 37.1 5.3 29 52 A G S <> S- 0 0 8 -3,-1.8 4,-1.5 -5,-0.1 5,-0.1 -0.255 84.2-111.0 -80.6 171.5 24.0 39.0 7.1 30 53 A V H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.834 112.7 57.7 -72.2 -32.5 23.9 41.2 10.2 31 54 A G H > S+ 0 0 2 -10,-0.5 4,-2.3 -8,-0.3 5,-0.2 0.963 108.5 42.3 -63.8 -55.0 24.5 44.4 8.2 32 55 A P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.888 113.2 55.7 -59.5 -37.6 21.6 44.1 5.9 33 56 A W H X S+ 0 0 32 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.945 109.4 45.2 -58.6 -50.2 19.4 43.0 8.8 34 57 A K H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.943 113.8 48.0 -58.5 -50.8 20.2 46.1 10.8 35 58 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.851 111.2 53.1 -60.4 -35.1 19.7 48.5 7.9 36 59 A R H X S+ 0 0 70 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.906 106.2 51.0 -67.0 -44.5 16.4 46.8 7.1 37 60 A C H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.936 114.3 45.0 -58.2 -46.4 15.1 47.2 10.6 38 61 A L H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.944 114.9 46.9 -63.7 -48.7 15.9 50.9 10.5 39 62 A A H X S+ 0 0 7 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.895 112.4 48.6 -62.2 -46.0 14.5 51.5 7.0 40 63 A Q H X S+ 0 0 78 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.887 110.6 52.7 -61.2 -40.5 11.3 49.6 7.6 41 64 A T H >< S+ 0 0 2 -4,-1.9 3,-1.1 -5,-0.3 5,-0.5 0.940 112.2 42.6 -63.7 -48.5 10.7 51.5 10.9 42 65 A F H >< S+ 0 0 3 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.734 104.7 67.2 -70.7 -20.6 11.1 55.0 9.3 43 66 A A H 3< S+ 0 0 82 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.645 84.9 71.8 -76.2 -13.8 9.1 53.9 6.3 44 67 A T T << S- 0 0 63 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.774 98.5-135.4 -69.2 -26.6 6.0 53.7 8.5 45 68 A G S < S+ 0 0 48 -3,-1.0 -3,-0.1 -4,-0.3 -2,-0.1 0.541 79.5 104.9 80.9 8.7 5.9 57.5 8.7 46 69 A E + 0 0 102 -5,-0.5 2,-0.8 1,-0.2 -4,-0.1 0.557 63.2 70.9 -98.5 -9.8 5.3 57.3 12.5 47 70 A V S S+ 0 0 1 -6,-0.3 2,-0.3 -5,-0.2 -1,-0.2 -0.864 73.3 124.6-108.5 98.4 8.8 58.3 13.5 48 71 A S + 0 0 62 -2,-0.8 2,-0.3 105,-0.2 23,-0.1 -0.929 13.4 112.0-150.7 167.3 9.1 62.0 12.6 49 72 A G - 0 0 37 21,-1.0 23,-0.4 -2,-0.3 3,-0.1 -0.965 65.2 -79.0 152.9-167.3 10.0 65.4 14.0 50 73 A R S S+ 0 0 122 -2,-0.3 23,-2.5 1,-0.2 2,-0.4 0.827 100.7 39.4 -98.6 -39.2 12.6 68.1 13.9 51 74 A T E +a 73 0A 6 21,-0.2 102,-1.1 20,-0.1 103,-0.8 -0.902 55.4 178.3-124.5 145.8 15.4 66.9 16.1 52 75 A L E -ab 74 154A 0 21,-2.4 23,-2.3 -2,-0.4 2,-0.4 -0.987 12.7-152.7-140.9 145.9 17.1 63.5 16.7 53 76 A I E -ab 75 155A 1 101,-1.9 103,-2.2 -2,-0.3 2,-0.6 -0.987 6.5-150.4-124.2 129.7 20.0 62.4 18.9 54 77 A D E -ab 76 156A 0 21,-3.3 23,-0.6 -2,-0.4 2,-0.6 -0.883 19.2-145.9 -95.9 121.9 22.2 59.4 18.3 55 78 A I E S- b 0 157A 0 101,-3.2 103,-0.5 -2,-0.6 105,-0.1 -0.789 73.6 -6.1 -97.0 119.2 23.5 57.9 21.6 56 79 A G S S+ 0 0 1 -2,-0.6 -1,-0.2 101,-0.1 22,-0.2 0.967 72.4 176.1 64.2 55.4 27.0 56.4 21.7 57 80 A S > - 0 0 0 20,-3.1 3,-1.7 -3,-0.5 21,-0.2 0.742 11.7-173.2 -61.4 -25.5 27.6 56.8 18.0 58 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.2 -0.361 62.5 -40.2 54.9-142.6 31.1 55.5 18.3 59 82 A P T 3 S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.123 115.2 99.2 -97.5 19.7 32.9 55.9 14.9 60 83 A T < + 0 0 0 -3,-1.7 27,-0.0 1,-0.1 40,-0.0 -0.780 39.5 176.0-115.9 153.7 29.9 54.8 12.8 61 84 A V > + 0 0 0 -2,-0.3 3,-2.2 2,-0.1 4,-0.3 0.429 59.6 97.4-125.9 -7.6 27.2 56.5 10.8 62 85 A Y G > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.795 75.4 68.3 -56.9 -30.1 25.2 53.6 9.3 63 86 A Q G 3 S+ 0 0 1 1,-0.3 -1,-0.3 -6,-0.1 4,-0.1 0.514 103.3 43.9 -70.6 -3.8 22.6 53.9 12.0 64 87 A L G <> S+ 0 0 0 -3,-2.2 4,-2.3 2,-0.1 -1,-0.3 0.369 81.8 98.7-119.1 0.8 21.5 57.3 10.7 65 88 A L T <4 S+ 0 0 0 -3,-1.3 4,-0.2 -4,-0.3 -2,-0.1 0.896 95.6 31.7 -61.2 -43.5 21.3 56.6 7.0 66 89 A S T >4 S+ 0 0 5 -4,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.758 118.0 57.6 -83.7 -25.8 17.6 56.0 6.9 67 90 A A G >> S+ 0 0 1 1,-0.2 3,-2.6 2,-0.1 4,-0.5 0.855 86.9 76.6 -70.3 -35.6 16.9 58.4 9.8 68 91 A C G 3< S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.659 87.2 58.4 -60.1 -20.0 18.4 61.5 8.1 69 92 A S G <4 S+ 0 0 35 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 0.417 107.7 47.6 -90.1 3.7 15.5 62.2 5.7 70 93 A H T <4 S+ 0 0 49 -3,-2.6 -21,-1.0 1,-0.2 2,-0.4 0.436 109.2 53.6-117.1 -5.4 13.0 62.5 8.6 71 94 A F < - 0 0 0 -4,-0.5 -1,-0.2 -3,-0.3 -21,-0.2 -0.966 53.1-168.6-140.4 120.5 15.0 64.8 10.9 72 95 A E S S+ 0 0 103 -2,-0.4 2,-0.5 -23,-0.4 -21,-0.2 0.744 82.9 48.8 -79.9 -25.1 16.5 68.2 10.0 73 96 A D E S+a 51 0A 15 -23,-2.5 -21,-2.4 55,-0.1 2,-0.4 -0.951 70.4 177.0-120.7 113.4 18.6 68.6 13.2 74 97 A I E -ac 52 128A 0 53,-2.8 55,-2.2 -2,-0.5 56,-1.0 -0.944 12.9-162.3-120.5 136.4 20.7 65.6 14.2 75 98 A T E -ac 53 130A 0 -23,-2.3 -21,-3.3 -2,-0.4 2,-0.3 -0.968 5.5-162.9-116.3 126.4 23.1 65.3 17.1 76 99 A M E -ac 54 131A 0 54,-2.4 56,-2.7 -2,-0.5 2,-0.3 -0.791 14.9-175.0-104.7 154.4 25.8 62.6 17.3 77 100 A T E + c 0 132A 0 -23,-0.6 -20,-3.1 -2,-0.3 -19,-0.6 -0.979 15.2 167.4-147.2 153.0 27.5 61.6 20.5 78 101 A D E - c 0 133A 0 54,-1.8 56,-0.6 -2,-0.3 6,-0.1 -0.926 36.4-131.3-164.7 154.7 30.2 59.6 22.1 79 102 A F S S+ 0 0 72 -2,-0.3 2,-0.4 54,-0.2 -1,-0.1 0.846 89.6 72.4 -66.5 -36.3 32.1 59.2 25.3 80 103 A L > - 0 0 7 1,-0.1 4,-1.7 -3,-0.1 3,-0.3 -0.681 66.7-150.2 -96.4 134.5 35.5 59.0 23.6 81 104 A E H > S+ 0 0 96 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.894 99.6 58.6 -59.4 -43.2 37.3 61.9 21.9 82 105 A V H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.826 106.2 48.5 -60.9 -32.6 38.9 59.6 19.4 83 106 A N H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.899 109.0 52.1 -72.3 -41.2 35.5 58.4 18.2 84 107 A R H X S+ 0 0 48 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.844 110.6 49.9 -62.1 -33.3 34.3 62.0 17.8 85 108 A Q H X S+ 0 0 88 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.926 107.9 51.5 -70.6 -45.6 37.3 62.7 15.7 86 109 A E H X S+ 0 0 9 -4,-1.9 4,-1.3 1,-0.2 12,-0.3 0.899 111.3 49.2 -57.9 -40.9 36.8 59.7 13.5 87 110 A L H >X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 3,-0.6 0.941 108.7 52.5 -60.7 -49.4 33.2 60.9 12.9 88 111 A G H 3X S+ 0 0 18 -4,-2.1 4,-2.7 1,-0.3 6,-0.3 0.868 102.9 59.2 -55.7 -40.1 34.4 64.4 12.1 89 112 A R H 3<>S+ 0 0 69 -4,-2.4 5,-2.7 1,-0.2 8,-0.3 0.888 113.0 37.9 -56.7 -40.6 36.8 63.0 9.6 90 113 A W H X<5S+ 0 0 9 -4,-1.3 3,-1.2 -3,-0.6 -2,-0.2 0.903 115.2 51.7 -79.4 -42.3 33.8 61.5 7.7 91 114 A L H 3<5S+ 0 0 19 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.891 118.0 39.3 -59.7 -38.7 31.4 64.4 8.2 92 115 A Q T 3<5S- 0 0 128 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.289 109.0-123.7 -94.8 8.0 34.0 66.8 6.9 93 116 A E T < 5 + 0 0 140 -3,-1.2 -3,-0.2 -5,-0.1 -4,-0.1 0.850 53.7 166.8 50.6 39.6 35.2 64.4 4.2 94 117 A E > < - 0 0 94 -5,-2.7 3,-1.2 -6,-0.3 -1,-0.1 -0.211 42.8 -71.1 -79.2 171.6 38.7 64.7 5.6 95 118 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 -5,-0.0 -0.394 115.0 16.2 -69.8 139.3 41.7 62.4 4.7 96 119 A G T 3 S+ 0 0 60 1,-0.2 -6,-0.1 -2,-0.1 3,-0.1 0.563 84.5 157.8 79.5 9.0 41.6 58.8 5.9 97 120 A A < - 0 0 30 -3,-1.2 -1,-0.2 -8,-0.3 2,-0.1 -0.261 51.5 -95.9 -58.7 151.1 37.9 58.9 6.8 98 121 A F - 0 0 31 -12,-0.3 2,-0.9 -39,-0.1 -1,-0.1 -0.459 36.9-118.8 -68.2 144.6 36.2 55.5 6.9 99 122 A N + 0 0 102 1,-0.1 3,-0.3 -2,-0.1 4,-0.1 -0.781 40.1 165.5 -90.9 104.5 34.4 54.5 3.7 100 123 A W >> + 0 0 2 -2,-0.9 4,-2.1 1,-0.2 3,-1.0 0.338 42.0 110.7 -96.8 6.0 30.7 54.1 4.5 101 124 A S H 3> S+ 0 0 12 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.784 71.6 56.9 -58.8 -33.5 29.6 54.1 0.8 102 125 A M H 3> S+ 0 0 59 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.882 110.7 45.3 -63.7 -37.8 28.6 50.4 0.7 103 126 A Y H <> S+ 0 0 7 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.889 112.9 49.7 -71.4 -42.0 26.2 51.1 3.6 104 127 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.914 111.4 50.4 -60.3 -44.2 24.9 54.3 2.0 105 128 A Q H X S+ 0 0 8 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.930 111.5 47.5 -60.0 -45.0 24.4 52.3 -1.2 106 129 A H H X S+ 0 0 14 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.830 108.0 54.5 -70.5 -32.6 22.5 49.6 0.6 107 130 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.918 110.6 47.0 -61.0 -45.0 20.3 52.0 2.4 108 131 A C H X>S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 5,-0.6 0.903 112.9 49.8 -62.4 -42.0 19.3 53.5 -0.9 109 132 A L H <5S+ 0 0 19 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.941 116.0 41.6 -59.2 -51.2 18.7 50.0 -2.3 110 133 A I H <5S+ 0 0 56 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.893 109.1 56.9 -67.0 -43.8 16.5 49.0 0.6 111 134 A E H <5S- 0 0 34 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.821 91.9-151.0 -63.7 -29.9 14.6 52.3 0.9 112 135 A G T <5 + 0 0 59 -4,-1.4 -3,-0.1 -5,-0.2 -4,-0.1 0.814 57.1 121.6 68.9 34.1 13.5 51.9 -2.7 113 136 A K S > - 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