==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-AUG-01 1JQD . COMPND 2 MOLECULE: HISTAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.HORTON,K.SAWADA,M.NISHIBORI,X.ZHANG,X.CHENG . 576 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 9.9 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 0.3 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 . 45 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 3 1 0 0 1 2 5 7 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 0 4 2 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 . 3 1 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 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 5 A M 0 0 85 0, 0.0 2,-0.4 0, 0.0 243,-0.1 0.000 360.0 360.0 360.0 84.5 43.4 -50.3 4.4 2 6 A R - 0 0 204 241,-0.5 241,-2.5 184,-0.1 2,-0.2 -0.834 360.0-106.4-102.2 139.6 43.4 -47.2 6.6 3 7 A S B -A 242 0A 29 -2,-0.4 239,-0.3 239,-0.2 238,-0.1 -0.431 31.3-117.9 -64.3 127.7 42.0 -43.9 5.4 4 8 A L 0 0 12 237,-2.7 6,-0.3 -2,-0.2 -1,-0.2 0.511 360.0 360.0 -46.0 -4.3 44.9 -41.5 4.8 5 9 A F 0 0 82 236,-0.3 -1,-0.2 4,-0.1 4,-0.1 0.725 360.0 360.0-112.5 360.0 43.3 -39.4 7.6 6 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 7 12 A H > 0 0 91 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -13.5 47.3 -37.1 9.7 8 13 A G H > + 0 0 61 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.794 360.0 52.3 -77.0 -29.1 51.1 -36.8 9.6 9 14 A K H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.820 104.4 58.0 -73.4 -32.2 51.2 -39.2 6.7 10 15 A Y H > S+ 0 0 86 -6,-0.3 4,-3.8 2,-0.2 5,-0.2 0.966 106.6 45.4 -62.0 -54.2 48.7 -37.0 4.9 11 16 A V H X S+ 0 0 81 -4,-1.5 4,-3.1 1,-0.2 5,-0.2 0.901 113.8 50.9 -56.1 -42.5 50.8 -33.9 5.0 12 17 A E H X S+ 0 0 115 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.894 115.5 41.3 -63.7 -40.5 53.8 -35.9 3.9 13 18 A S H X S+ 0 0 7 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.902 114.5 51.6 -73.3 -41.9 51.9 -37.4 1.0 14 19 A F H X S+ 0 0 70 -4,-3.8 4,-2.7 2,-0.2 -2,-0.2 0.960 109.4 50.2 -58.7 -50.9 50.2 -34.1 0.1 15 20 A R H X S+ 0 0 42 -4,-3.1 4,-2.6 1,-0.3 -1,-0.2 0.917 109.6 51.3 -52.6 -45.7 53.6 -32.4 0.1 16 21 A R H < S+ 0 0 5 -4,-1.7 4,-0.4 1,-0.2 -1,-0.3 0.900 109.3 51.9 -58.2 -40.8 54.8 -35.1 -2.2 17 22 A F H >< S+ 0 0 9 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.920 109.7 48.1 -61.5 -47.5 51.8 -34.4 -4.4 18 23 A L H >< S+ 0 0 71 -4,-2.7 3,-1.4 1,-0.2 6,-0.3 0.939 111.4 47.8 -61.8 -49.7 52.5 -30.7 -4.6 19 24 A N T 3< S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.467 115.1 47.8 -74.7 2.2 56.2 -31.0 -5.5 20 25 A H T < S+ 0 0 59 -3,-0.9 200,-3.4 -4,-0.4 2,-0.3 0.138 108.0 58.6-125.3 20.4 55.4 -33.6 -8.2 21 26 A S B < S-B 219 0B 23 -3,-1.4 3,-0.3 198,-0.3 198,-0.2 -0.906 74.7-125.0-142.0 169.1 52.5 -31.8 -9.9 22 27 A T S > S+ 0 0 45 196,-1.9 4,-2.9 -2,-0.3 5,-0.2 0.077 75.0 113.5-102.8 22.4 51.7 -28.6 -11.8 23 28 A E H > S+ 0 0 16 195,-0.3 4,-2.3 -6,-0.2 5,-0.2 0.913 77.4 47.1 -58.6 -48.1 48.8 -27.8 -9.5 24 29 A H H > S+ 0 0 133 -3,-0.3 4,-2.2 -6,-0.3 -1,-0.2 0.950 116.8 43.4 -59.0 -51.6 50.5 -24.7 -8.0 25 30 A Q H > S+ 0 0 124 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.851 110.5 56.5 -63.8 -37.2 51.5 -23.4 -11.5 26 31 A C H X S+ 0 0 7 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.962 109.9 44.2 -60.0 -52.9 48.1 -24.2 -13.0 27 32 A M H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 3,-0.3 0.935 112.3 51.9 -56.8 -50.8 46.2 -22.1 -10.4 28 33 A Q H X S+ 0 0 40 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.861 109.1 52.3 -55.0 -37.5 48.8 -19.3 -10.7 29 34 A E H X S+ 0 0 101 -4,-2.1 4,-2.4 2,-0.2 5,-0.4 0.859 108.3 49.1 -68.8 -37.8 48.2 -19.4 -14.5 30 35 A F H X>S+ 0 0 13 -4,-1.9 4,-2.6 -3,-0.3 5,-2.1 0.914 109.6 53.5 -68.0 -40.9 44.4 -19.1 -14.2 31 36 A M H <5S+ 0 0 2 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.918 113.7 41.6 -59.3 -45.1 44.9 -16.2 -11.8 32 37 A D H <5S+ 0 0 77 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.949 127.6 28.0 -69.5 -49.9 47.1 -14.3 -14.3 33 38 A K H <5S+ 0 0 152 -4,-2.4 4,-0.3 -5,-0.1 -3,-0.2 0.853 135.3 19.5 -81.9 -39.8 45.1 -15.1 -17.5 34 39 A K T >X5S+ 0 0 97 -4,-2.6 4,-1.8 -5,-0.4 3,-0.6 0.861 105.8 68.7-102.3 -46.3 41.6 -15.5 -16.3 35 40 A L H 3>< S+ 0 0 0 -4,-2.8 3,-1.0 1,-0.2 4,-0.4 0.290 84.4 116.8 -89.7 13.3 36.6 -10.0 -11.2 40 45 A G T < S+ 0 0 17 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.1 0.728 87.1 18.7 -52.1 -33.0 36.5 -7.1 -13.7 41 46 A R T > S+ 0 0 161 -3,-0.4 3,-1.0 -4,-0.2 -1,-0.2 0.207 88.7 105.0-127.8 17.5 33.3 -5.5 -12.5 42 47 A I T < S+ 0 0 1 -3,-1.0 -2,-0.1 1,-0.2 -1,-0.1 0.738 86.9 47.5 -71.8 -19.7 32.7 -6.9 -8.9 43 48 A G T > S+ 0 0 3 -4,-0.4 3,-1.8 6,-0.1 -1,-0.2 0.376 79.9 133.2-100.7 4.1 33.8 -3.5 -7.4 44 49 A D T < S+ 0 0 64 -3,-1.0 3,-0.1 1,-0.3 -3,-0.1 -0.363 81.0 1.1 -63.0 129.8 31.7 -1.3 -9.7 45 50 A T T 3 S+ 0 0 151 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.446 108.7 120.1 72.2 6.2 29.8 1.4 -7.8 46 51 A K < - 0 0 47 -3,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.804 51.6-166.1-108.0 142.0 31.3 0.2 -4.5 47 52 A S S S+ 0 0 113 -2,-0.4 30,-0.7 1,-0.2 2,-0.3 0.316 87.5 34.5-100.7 5.0 33.5 2.0 -2.0 48 53 A E E S-e 77 0C 79 28,-0.1 2,-0.5 -5,-0.1 -1,-0.2 -0.916 72.7-146.8-158.5 131.2 34.4 -1.3 -0.4 49 54 A I E -e 78 0C 0 28,-2.5 30,-3.1 -2,-0.3 2,-0.6 -0.898 12.3-154.1-106.0 123.5 34.9 -4.7 -1.9 50 55 A K E -e 79 0C 34 -2,-0.5 82,-2.0 28,-0.2 83,-1.7 -0.881 11.2-173.6-102.4 117.0 33.9 -7.7 0.2 51 56 A I E -ef 80 133C 0 28,-3.4 30,-2.2 -2,-0.6 2,-0.6 -0.930 7.7-159.4-112.5 126.3 35.7 -11.0 -0.5 52 57 A L E -ef 81 134C 0 81,-3.2 83,-2.1 -2,-0.5 2,-0.7 -0.923 4.2-163.4-110.0 115.5 34.7 -14.3 1.2 53 58 A S E > -ef 82 135C 0 28,-3.1 30,-3.1 -2,-0.6 2,-0.7 -0.868 1.6-163.2-100.6 113.0 37.3 -17.0 1.2 54 59 A I E 3 S-ef 83 136C 0 81,-2.7 83,-0.7 -2,-0.7 30,-0.2 -0.858 81.0 -3.9 -97.6 117.5 35.9 -20.5 2.0 55 60 A G T 3 S+ 0 0 0 28,-3.5 -1,-0.2 -2,-0.7 29,-0.2 0.884 78.8 171.7 70.1 38.1 38.6 -22.9 3.0 56 61 A G X - 0 0 1 -3,-0.6 3,-1.8 27,-0.5 6,-0.3 0.647 15.2-178.4 -55.2 -18.3 41.3 -20.3 2.4 57 62 A G T 3 - 0 0 0 1,-0.2 36,-0.3 26,-0.2 -1,-0.2 -0.266 62.4 -6.8 58.8-130.8 43.9 -22.5 3.9 58 63 A A T 3 S- 0 0 9 34,-0.1 -1,-0.2 35,-0.1 38,-0.2 0.452 94.4-119.7 -80.4 -3.4 47.5 -21.1 4.1 59 64 A G S <> S+ 0 0 0 -3,-1.8 4,-1.9 37,-0.1 5,-0.2 0.498 75.4 122.4 81.5 6.6 46.5 -18.0 2.0 60 65 A E H > S+ 0 0 97 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.964 83.5 38.2 -65.9 -49.4 48.8 -18.3 -1.0 61 66 A I H > S+ 0 0 17 -5,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.842 112.1 59.6 -68.7 -34.8 45.9 -18.3 -3.5 62 67 A D H > S+ 0 0 0 -6,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.937 105.4 47.8 -60.4 -46.3 43.9 -15.8 -1.6 63 68 A L H X S+ 0 0 22 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.861 109.6 52.9 -64.9 -34.6 46.7 -13.2 -1.8 64 69 A Q H X S+ 0 0 62 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.918 111.2 47.3 -64.9 -41.9 47.1 -13.8 -5.5 65 70 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.3 0.931 110.5 52.6 -62.9 -45.9 43.3 -13.2 -5.9 66 71 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.864 103.6 57.1 -59.1 -37.4 43.6 -10.0 -3.8 67 72 A S H X S+ 0 0 47 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.878 106.7 49.3 -64.1 -36.3 46.4 -8.7 -5.9 68 73 A K H X S+ 0 0 45 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.2 0.884 110.5 49.6 -70.7 -37.6 44.2 -8.8 -9.0 69 74 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.923 111.4 49.1 -66.8 -42.7 41.3 -7.1 -7.3 70 75 A Q H < S+ 0 0 41 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 109.2 52.5 -62.6 -41.0 43.6 -4.3 -6.1 71 76 A A H < S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.867 113.5 44.3 -62.4 -36.8 45.0 -3.9 -9.6 72 77 A Q H < S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.750 127.3 28.7 -79.9 -25.1 41.5 -3.5 -10.9 73 78 A Y S >< S- 0 0 21 -4,-1.9 3,-1.7 -5,-0.1 -1,-0.2 -0.460 78.7-171.0-135.9 65.7 40.3 -1.2 -8.2 74 79 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.231 73.4 18.5 -58.7 143.9 43.2 0.9 -6.8 75 80 A G T 3 S+ 0 0 64 1,-0.2 2,-0.5 -5,-0.0 -5,-0.1 0.283 93.7 124.5 81.4 -11.1 42.5 2.9 -3.7 76 81 A V < - 0 0 30 -3,-1.7 -1,-0.2 -6,-0.2 -28,-0.1 -0.710 64.1-120.3 -89.0 128.3 39.4 0.9 -2.8 77 82 A C E -e 48 0C 69 -30,-0.7 -28,-2.5 -2,-0.5 2,-0.4 -0.344 27.9-157.1 -63.2 141.8 39.2 -0.7 0.6 78 83 A I E -eg 49 106C 1 27,-2.3 29,-2.6 -30,-0.2 2,-0.6 -0.988 10.3-158.4-126.6 133.0 38.9 -4.5 0.6 79 84 A N E -eg 50 107C 20 -30,-3.1 -28,-3.4 -2,-0.4 2,-0.7 -0.957 12.2-173.5-110.1 113.8 37.4 -6.7 3.3 80 85 A N E -eg 51 108C 0 27,-2.8 29,-1.3 -2,-0.6 2,-0.4 -0.872 3.8-173.4-113.7 97.3 38.7 -10.3 2.9 81 86 A E E -eg 52 109C 28 -30,-2.2 -28,-3.1 -2,-0.7 2,-0.5 -0.781 8.2-153.3 -95.7 135.6 37.1 -12.6 5.4 82 87 A V E -eg 53 110C 0 27,-3.0 29,-3.3 -2,-0.4 2,-0.7 -0.924 10.6-161.9-116.0 127.4 38.3 -16.2 5.7 83 88 A V E +eg 54 111C 0 -30,-3.1 -28,-3.5 -2,-0.5 -27,-0.5 -0.929 32.3 148.6-105.6 109.1 36.3 -19.3 6.8 84 89 A E - 0 0 1 27,-2.3 29,-0.2 -2,-0.7 30,-0.2 -0.967 35.5-161.4-147.2 123.5 38.8 -22.0 7.8 85 90 A P + 0 0 34 0, 0.0 2,-0.6 0, 0.0 29,-0.1 0.718 69.7 88.6 -78.1 -23.5 38.4 -24.7 10.4 86 91 A S > - 0 0 36 1,-0.2 4,-2.2 27,-0.2 5,-0.1 -0.701 57.3-164.0 -84.0 116.5 42.1 -25.6 10.8 87 92 A A H > S+ 0 0 45 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.870 93.3 58.2 -61.9 -36.7 43.9 -23.4 13.4 88 93 A E H > S+ 0 0 130 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.888 106.8 46.0 -61.0 -42.1 47.2 -24.6 11.8 89 94 A Q H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.935 110.0 53.9 -66.9 -46.4 46.2 -23.2 8.4 90 95 A I H X S+ 0 0 11 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.914 105.3 54.3 -54.6 -44.5 45.0 -19.9 9.9 91 96 A A H X S+ 0 0 19 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.900 110.5 45.9 -57.3 -43.4 48.4 -19.5 11.6 92 97 A K H X S+ 0 0 98 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.862 111.0 52.9 -67.0 -38.1 50.2 -19.9 8.2 93 98 A Y H X S+ 0 0 0 -4,-2.3 4,-2.2 -36,-0.3 -2,-0.2 0.937 111.7 45.2 -63.7 -46.9 47.8 -17.5 6.6 94 99 A K H X S+ 0 0 21 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.895 110.7 53.8 -64.2 -41.1 48.5 -14.9 9.2 95 100 A E H X S+ 0 0 88 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.941 109.6 48.7 -59.4 -45.9 52.2 -15.5 9.0 96 101 A L H >X S+ 0 0 33 -4,-2.4 4,-1.6 -38,-0.2 3,-0.9 0.920 110.4 50.4 -61.0 -44.1 52.0 -14.9 5.2 97 102 A V H 3< S+ 0 0 27 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.915 106.8 53.1 -60.8 -44.8 50.0 -11.7 5.6 98 103 A A H 3< S+ 0 0 79 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.670 112.7 48.3 -63.9 -15.4 52.4 -10.2 8.1 99 104 A K H << S+ 0 0 165 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.719 93.2 86.0 -95.6 -30.8 55.1 -10.9 5.6 100 105 A T < - 0 0 53 -4,-1.6 3,-0.2 -3,-0.3 0, 0.0 -0.505 62.2-159.2 -75.3 143.9 53.4 -9.5 2.5 101 106 A S S S+ 0 0 117 -2,-0.2 2,-3.6 1,-0.2 -1,-0.1 0.960 71.8 57.0 -89.8 -71.9 53.9 -5.7 2.0 102 107 A N S S+ 0 0 55 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 -0.171 73.1 108.2 -63.3 56.5 51.4 -3.9 -0.3 103 108 A L > + 0 0 25 -2,-3.6 3,-1.2 -3,-0.2 -1,-0.2 -0.008 32.8 118.5-121.5 29.4 48.4 -4.9 1.8 104 109 A E T 3 S+ 0 0 73 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.920 76.5 46.9 -61.0 -47.7 47.5 -1.6 3.3 105 110 A N T 3 S+ 0 0 83 -3,-0.1 -27,-2.3 -28,-0.1 2,-0.5 0.232 101.0 85.4 -81.8 15.5 44.1 -1.2 1.8 106 111 A V E < -g 78 0C 13 -3,-1.2 2,-0.4 -29,-0.2 -27,-0.2 -0.968 57.1-166.7-123.3 128.1 43.1 -4.8 2.7 107 112 A K E -g 79 0C 86 -29,-2.6 -27,-2.8 -2,-0.5 2,-0.3 -0.920 10.2-156.6-112.6 138.3 41.7 -5.9 6.1 108 113 A F E -g 80 0C 28 -2,-0.4 2,-0.3 393,-0.2 393,-0.3 -0.825 12.8-178.7-113.8 153.6 41.6 -9.6 7.0 109 114 A A E -g 81 0C 26 -29,-1.3 -27,-3.0 -2,-0.3 2,-0.5 -0.972 13.2-153.3-149.5 131.4 39.4 -11.5 9.5 110 115 A W E -g 82 0C 37 -2,-0.3 2,-0.6 -29,-0.2 -27,-0.2 -0.949 4.7-166.4-115.6 129.5 39.7 -15.2 10.2 111 116 A H E -g 83 0C 10 -29,-3.3 -27,-2.3 -2,-0.5 2,-1.5 -0.960 16.6-143.4-115.6 113.2 36.8 -17.3 11.4 112 117 A K + 0 0 90 -2,-0.6 2,-0.3 -29,-0.2 -29,-0.1 -0.618 63.2 85.4 -81.2 91.9 37.8 -20.8 12.7 113 118 A E S S- 0 0 12 -2,-1.5 -27,-0.2 -29,-0.2 2,-0.1 -0.965 77.2 -89.4-172.8 170.7 35.0 -22.9 11.5 114 119 A T > - 0 0 43 -2,-0.3 4,-2.7 -30,-0.2 5,-0.2 -0.454 43.2-105.7 -88.3 167.0 33.6 -24.9 8.5 115 120 A S H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.824 122.5 54.5 -63.2 -28.9 31.4 -23.4 5.8 116 121 A S H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 109.8 43.4 -70.5 -45.9 28.5 -25.3 7.4 117 122 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.908 114.8 51.8 -65.7 -39.9 29.1 -23.8 10.9 118 123 A Y H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.922 108.8 52.0 -60.7 -44.1 29.6 -20.4 9.2 119 124 A Q H X S+ 0 0 33 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.932 111.7 43.0 -59.0 -50.8 26.3 -20.9 7.4 120 125 A S H X S+ 0 0 73 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.885 113.3 53.4 -66.5 -35.6 24.2 -21.6 10.4 121 126 A R H >X S+ 0 0 58 -4,-2.3 3,-0.9 1,-0.2 4,-0.6 0.919 110.3 47.4 -63.5 -42.8 25.9 -18.9 12.4 122 127 A M H 3< S+ 0 0 13 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.762 108.0 56.5 -70.2 -24.2 25.1 -16.4 9.6 123 128 A L H 3< S+ 0 0 95 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.586 97.1 62.2 -83.2 -9.8 21.5 -17.7 9.6 124 129 A E H << S+ 0 0 89 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.690 90.3 83.9 -84.1 -21.6 21.1 -16.9 13.3 125 130 A K S < S- 0 0 106 -4,-0.6 3,-0.1 -3,-0.3 371,-0.0 -0.287 92.4-119.5 -70.0 166.0 21.7 -13.2 12.3 126 131 A K S S+ 0 0 115 1,-0.2 2,-0.4 -2,-0.0 -1,-0.1 0.828 91.0 25.4 -82.7 -33.6 18.6 -11.4 11.1 127 132 A E S S- 0 0 82 -5,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.990 81.8-118.3-133.1 142.1 19.7 -10.5 7.6 128 133 A L - 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0 0 10 -27,-3.1 3,-2.0 -2,-0.3 2,-0.1 -0.128 46.6 -43.1 -87.4-168.6 25.6 -9.0 -4.2 159 164 A T E 3 S- 0 0 107 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 -0.371 129.7 -3.7 -61.8 126.9 25.0 -7.1 -7.5 160 165 A N E 3 S+ 0 0 77 1,-0.2 -1,-0.3 -2,-0.1 -119,-0.2 0.654 100.5 148.4 62.9 16.7 27.4 -8.2 -10.2 161 166 A A E < - 0 0 1 -3,-2.0 126,-1.3 -30,-0.1 2,-0.3 -0.358 32.6-151.1 -77.1 161.9 29.1 -10.5 -7.7 162 167 A K E -hI 133 286C 38 -30,-1.6 -28,-2.0 124,-0.2 2,-0.5 -0.978 8.0-147.5-136.7 148.9 30.8 -13.8 -8.7 163 168 A M E -hI 134 285C 0 122,-2.5 122,-3.0 -2,-0.3 2,-0.5 -0.972 13.2-159.5-117.4 127.4 31.4 -17.1 -7.0 164 169 A L E +hI 135 284C 0 -30,-3.2 -28,-2.7 -2,-0.5 2,-0.4 -0.928 11.0 179.4-110.1 125.7 34.5 -19.1 -8.0 165 170 A I E -hI 136 283C 0 118,-2.6 118,-3.1 -2,-0.5 2,-0.4 -0.985 5.6-170.0-125.4 136.0 34.7 -22.9 -7.3 166 171 A I E +hI 137 282C 1 -30,-2.1 -28,-2.6 -2,-0.4 -27,-0.4 -0.985 19.9 144.6-130.1 123.1 37.7 -25.1 -8.1 167 172 A V E - I 0 281C 0 114,-1.3 114,-2.7 -2,-0.4 28,-0.1 -0.895 57.8 -73.5-141.5 168.8 37.6 -29.0 -8.0 168 173 A V E - 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