==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-MAY-03 1P9P . COMPND 2 MOLECULE: TRNA (GUANINE-N(1)-)-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.A.ELKINS,J.M.WATTS,M.ZALACAIN,A.VAN THIEL,P.R.VITASZKA,M.R . 236 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.5 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 . 1 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 . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 1 2 0 0 0 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 0 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 0 0 0 0 0 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 . 2 0 0 1 0 0 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 1 A M 0 0 45 0, 0.0 31,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.6 17.1 60.3 43.3 2 2 A W E -ab 32 107A 38 104,-3.2 106,-2.5 29,-0.2 2,-0.5 -0.897 360.0-169.1-110.1 135.0 20.4 60.6 45.2 3 3 A I E -ab 33 108A 2 29,-3.3 31,-1.8 -2,-0.4 2,-0.4 -0.943 6.2-165.1-134.0 120.9 23.5 58.5 44.5 4 4 A G E -ab 34 109A 0 104,-3.1 106,-3.5 -2,-0.5 2,-0.5 -0.791 13.5-154.8-103.1 140.8 26.6 58.1 46.4 5 5 A I E -ab 35 110A 0 29,-3.6 31,-3.6 -2,-0.4 2,-0.6 -0.935 15.5-168.2-122.1 133.8 29.6 56.6 44.9 6 6 A I E +ab 36 111A 0 104,-2.6 106,-2.5 -2,-0.5 2,-0.3 -0.928 36.8 134.7-115.5 109.6 32.5 54.8 46.3 7 7 A S - 0 0 0 29,-0.9 32,-0.2 -2,-0.6 106,-0.1 -1.000 60.8-129.5-152.7 153.6 35.2 54.3 43.8 8 8 A L S S+ 0 0 2 -2,-0.3 3,-0.1 104,-0.3 29,-0.1 0.565 110.2 42.0 -76.8 -6.6 39.0 54.6 43.2 9 9 A F > + 0 0 70 1,-0.1 3,-2.1 2,-0.0 4,-0.3 -0.461 60.5 164.4-140.3 65.7 38.3 56.6 40.0 10 10 A P G > S+ 0 0 22 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.869 73.3 70.7 -49.9 -39.5 35.4 59.2 40.6 11 11 A E G > S+ 0 0 95 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.804 83.9 68.8 -51.7 -32.3 36.4 61.0 37.5 12 12 A M G X S+ 0 0 61 -3,-2.1 3,-2.4 1,-0.3 -1,-0.3 0.821 84.9 70.2 -54.6 -32.4 35.1 58.1 35.3 13 13 A F G X> S+ 0 0 8 -3,-2.2 3,-2.5 -4,-0.3 4,-2.4 0.618 75.0 84.7 -64.4 -13.1 31.5 59.1 36.4 14 14 A R H <> S+ 0 0 147 -3,-2.0 4,-2.1 -4,-0.3 -1,-0.3 0.770 77.5 70.1 -59.8 -20.1 31.9 62.2 34.2 15 15 A A H <4 S+ 0 0 51 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.777 111.4 27.6 -70.9 -19.9 30.7 59.9 31.5 16 16 A I H <4 S+ 0 0 23 -3,-2.5 3,-0.2 -4,-0.2 -2,-0.2 0.742 119.4 56.6-110.5 -17.0 27.4 59.9 33.1 17 17 A T H < S+ 0 0 31 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.792 115.5 31.3 -84.2 -24.3 27.4 63.3 34.7 18 18 A D S < S+ 0 0 71 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.287 105.7 67.1-119.5 1.4 28.2 65.4 31.6 19 19 A Y S > S- 0 0 152 -3,-0.2 4,-2.3 -4,-0.2 3,-0.4 -0.960 88.4 -33.2-133.9 148.8 26.6 63.7 28.5 20 20 A G H >> S- 0 0 61 -2,-0.3 4,-2.6 2,-0.2 3,-0.5 0.201 109.1 -15.3 48.5-157.6 23.1 63.0 27.2 21 21 A V H 3> S+ 0 0 53 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.810 139.2 49.6 -45.6 -38.9 19.9 62.1 29.2 22 22 A T H 3> S+ 0 0 1 -3,-0.4 4,-1.6 2,-0.2 -1,-0.3 0.890 109.8 47.7 -72.6 -45.3 22.0 61.5 32.2 23 23 A G H S+ 0 0 2 -4,-1.7 5,-2.1 -5,-0.3 6,-1.2 0.896 112.6 46.5 -70.2 -33.4 19.1 65.0 34.5 26 26 A V H ><5S+ 0 0 33 -4,-1.6 3,-1.4 -10,-0.2 -2,-0.2 0.944 110.6 49.3 -75.3 -42.4 22.0 65.9 36.6 27 27 A K H 3<5S+ 0 0 139 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.809 114.3 49.3 -64.1 -25.4 22.2 69.5 35.5 28 28 A N T 3<5S- 0 0 114 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.379 115.1-112.9 -94.0 -1.0 18.5 69.8 36.2 29 29 A G T < 5S+ 0 0 57 -3,-1.4 -3,-0.2 2,-0.3 -4,-0.1 0.571 83.9 116.3 84.1 6.7 18.5 68.3 39.6 30 30 A L S - 0 0 6 -2,-0.5 3,-1.4 -31,-0.2 4,-0.2 -0.796 15.3-137.3 -90.8 130.9 37.3 57.7 46.9 38 38 A P G > S+ 0 0 2 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.851 101.2 72.3 -57.0 -28.6 39.1 55.1 49.4 39 39 A R G > S+ 0 0 82 1,-0.3 3,-1.2 -32,-0.2 -31,-0.1 0.859 90.3 56.6 -54.5 -35.0 42.4 56.8 48.3 40 40 A D G < S+ 0 0 107 -3,-1.4 -1,-0.3 1,-0.2 7,-0.0 0.453 102.0 57.7 -79.4 4.3 41.5 59.9 50.3 41 41 A F G < S+ 0 0 55 -3,-2.4 -1,-0.2 -4,-0.2 2,-0.2 0.034 81.0 123.4-116.8 25.9 41.1 57.7 53.4 42 42 A T < - 0 0 17 -3,-1.2 7,-0.1 1,-0.1 -3,-0.0 -0.564 40.9-171.4 -89.6 144.6 44.7 56.5 53.2 43 43 A H + 0 0 153 -2,-0.2 -1,-0.1 5,-0.2 2,-0.1 0.587 58.2 82.7-114.9 -12.9 47.1 56.8 56.2 44 44 A D S > S- 0 0 66 4,-0.1 3,-0.8 1,-0.1 -2,-0.1 -0.315 83.9-112.1 -92.3 174.0 50.5 55.7 54.6 45 45 A R T 3 S+ 0 0 217 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.843 117.1 47.7 -76.0 -29.3 53.0 57.5 52.5 46 46 A H T 3 S- 0 0 144 2,-0.0 -1,-0.2 0, 0.0 -4,-0.0 0.359 106.0-126.3 -90.4 2.3 52.3 55.5 49.4 47 47 A R < - 0 0 120 -3,-0.8 2,-0.2 1,-0.2 -2,-0.1 0.935 35.2-156.3 52.1 58.0 48.4 55.9 49.7 48 48 A T + 0 0 41 1,-0.1 -5,-0.2 -9,-0.0 -1,-0.2 -0.420 33.1 159.9 -73.4 133.9 47.9 52.2 49.6 49 49 A V + 0 0 7 -2,-0.2 14,-3.4 -7,-0.1 2,-0.2 0.464 57.6 66.1-127.9 -8.2 44.5 50.8 48.5 50 50 A D E -E 62 0B 51 12,-0.3 2,-0.3 10,-0.0 12,-0.2 -0.613 59.9-177.2-106.5 172.2 45.1 47.2 47.4 51 51 A D E -E 61 0B 75 10,-1.7 10,-2.1 -2,-0.2 -2,-0.0 -0.964 31.9 -88.2-162.2 164.8 46.2 44.4 49.8 52 52 A R - 0 0 189 -2,-0.3 2,-0.3 8,-0.2 8,-0.1 -0.554 38.6-123.9 -86.8 151.0 47.2 40.7 49.6 53 53 A P > - 0 0 31 0, 0.0 3,-0.9 0, 0.0 2,-0.2 -0.737 25.2-114.7 -90.0 139.8 44.6 37.9 49.8 54 54 A Y T 3 S+ 0 0 226 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.507 98.7 33.0 -72.2 144.9 44.9 35.2 52.4 55 55 A G T 3 S- 0 0 89 -2,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.572 119.7 -88.5 87.1 13.2 45.4 31.7 51.1 56 56 A G < + 0 0 51 -3,-0.9 3,-0.1 1,-0.1 0, 0.0 -0.235 62.6 158.5 78.3-172.2 47.4 32.9 48.1 57 57 A G - 0 0 56 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.731 47.7 -77.5 140.2 174.8 45.8 33.9 44.9 58 58 A P S S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.968 93.1 7.9 -71.8 -61.6 46.4 35.9 41.7 59 59 A G S S- 0 0 23 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.399 78.8 -79.1-103.0-134.7 45.8 39.5 42.4 60 60 A M - 0 0 40 -8,-0.1 56,-2.4 -10,-0.0 2,-0.3 -0.817 28.5-140.9-128.2 167.0 45.1 42.0 45.1 61 61 A L E -E 51 0B 40 -10,-2.1 -10,-1.7 -2,-0.3 2,-0.2 -0.819 39.7 -86.0-120.5 164.6 42.0 42.9 47.0 62 62 A M E -E 50 0B 6 55,-2.4 57,-0.3 -2,-0.3 -12,-0.3 -0.560 51.7-105.3 -69.9 137.2 41.0 46.4 48.0 63 63 A M > - 0 0 38 -14,-3.4 4,-1.1 -2,-0.2 5,-0.1 -0.475 30.8-136.6 -62.8 139.3 42.6 47.3 51.4 64 64 A V H > S+ 0 0 47 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.928 90.2 51.7 -70.0 -47.1 39.8 47.1 54.0 65 65 A Q H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.921 112.1 43.1 -63.3 -44.5 40.3 50.2 56.1 66 66 A P H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.869 115.9 51.7 -70.2 -30.0 40.4 52.8 53.4 67 67 A L H X S+ 0 0 2 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.957 111.8 45.1 -67.1 -50.0 37.5 51.1 51.7 68 68 A R H X S+ 0 0 101 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.859 111.5 52.7 -61.3 -39.4 35.4 51.0 55.0 69 69 A D H X S+ 0 0 48 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.909 108.8 48.8 -64.4 -43.1 36.2 54.6 55.7 70 70 A A H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.918 114.3 47.2 -61.3 -43.0 35.1 55.8 52.3 71 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.907 109.6 52.5 -64.8 -46.6 31.8 53.7 52.7 72 72 A H H X S+ 0 0 68 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.914 107.3 53.3 -52.7 -46.1 31.2 55.1 56.3 73 73 A A H X S+ 0 0 26 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.868 109.1 48.0 -62.2 -35.1 31.5 58.7 55.0 74 74 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.900 111.5 51.7 -74.9 -29.9 28.9 58.0 52.3 75 75 A K H X S+ 0 0 63 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.875 108.1 50.7 -67.7 -40.2 26.7 56.5 54.9 76 76 A A H < S+ 0 0 85 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.937 111.9 47.2 -65.3 -46.9 27.1 59.5 57.1 77 77 A A H < S+ 0 0 61 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.925 121.2 38.0 -61.5 -43.2 26.1 61.9 54.2 78 78 A A H < S- 0 0 5 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.741 85.7-178.9 -79.6 -37.1 23.1 59.8 53.3 79 79 A G >< + 0 0 38 -4,-2.7 3,-1.0 -5,-0.1 -1,-0.1 -0.042 43.5 19.4 67.8-160.5 21.6 58.5 56.5 80 80 A E T 3 S+ 0 0 190 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.075 121.6 10.4 -51.6 132.4 18.6 56.2 56.9 81 81 A G T 3 S+ 0 0 68 1,-0.3 2,-1.0 25,-0.0 26,-0.5 0.743 76.7 143.3 76.2 20.4 17.3 54.0 54.1 82 82 A A < - 0 0 14 -3,-1.0 2,-0.3 -7,-0.1 -1,-0.3 -0.880 48.1-140.6 -90.8 105.9 20.2 54.6 51.8 83 83 A K E -c 108 0A 64 24,-1.7 26,-2.5 -2,-1.0 2,-0.7 -0.597 10.3-141.9 -70.2 122.7 20.5 51.0 50.3 84 84 A V E -c 109 0A 3 -2,-0.3 44,-2.3 24,-0.2 45,-2.1 -0.824 20.2-168.8 -91.4 119.7 24.2 50.0 49.9 85 85 A I E -cd 110 129A 0 24,-3.3 26,-3.8 -2,-0.7 2,-0.6 -0.859 12.9-156.3-110.4 132.4 24.9 48.1 46.7 86 86 A Y E -cd 111 130A 2 43,-3.0 45,-2.4 -2,-0.4 2,-0.5 -0.948 17.5-137.2-107.1 124.3 28.0 46.3 45.9 87 87 A L E + d 0 131A 0 24,-2.4 26,-0.4 -2,-0.6 45,-0.2 -0.638 43.3 148.9 -73.3 120.7 28.6 45.8 42.1 88 88 A S E > - 0 0 0 43,-2.7 3,-2.5 -2,-0.5 -2,-0.1 -0.964 60.5-127.8-159.1 139.4 29.8 42.3 41.6 89 89 A P E 3 S+ 0 0 23 0, 0.0 43,-0.1 0, 0.0 -1,-0.1 0.701 113.5 61.7 -60.6 -12.3 29.7 39.5 39.0 90 90 A Q E 3 S+ 0 0 118 41,-0.1 40,-0.1 -3,-0.1 42,-0.1 0.457 90.2 90.4 -91.9 8.9 28.5 37.4 42.0 91 91 A G E < S- 0 0 17 -3,-2.5 40,-0.3 1,-0.2 -4,-0.1 -0.194 96.5 -57.6 -92.7-175.3 25.3 39.5 42.7 92 92 A R E - d 0 131A 97 38,-2.5 40,-3.2 1,-0.1 2,-0.4 -0.391 64.6-110.7 -55.7 131.0 21.7 39.3 41.5 93 93 A K E - d 0 132A 130 38,-0.2 40,-0.2 -3,-0.1 5,-0.2 -0.610 36.6-122.3 -67.6 119.2 21.9 39.5 37.5 94 94 A L + 0 0 30 38,-2.6 2,-0.3 -2,-0.4 -1,-0.1 -0.378 43.1 157.0 -60.7 137.4 20.3 42.9 36.4 95 95 A D > - 0 0 88 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.929 58.7 -85.0-153.5 172.7 17.3 42.9 34.0 96 96 A Q H > S+ 0 0 108 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.874 127.2 53.5 -55.4 -38.1 14.5 45.4 33.3 97 97 A A H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.944 110.6 43.9 -62.4 -48.1 12.4 44.1 36.2 98 98 A G H > S+ 0 0 0 1,-0.2 4,-3.6 2,-0.2 -1,-0.2 0.837 107.7 60.2 -63.4 -31.1 15.3 44.5 38.8 99 99 A V H X S+ 0 0 3 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.922 105.5 50.8 -58.6 -39.4 16.0 48.0 37.2 100 100 A S H X S+ 0 0 49 -4,-1.8 4,-0.8 -3,-0.4 -2,-0.2 0.958 109.3 48.4 -58.4 -60.0 12.3 48.7 38.3 101 101 A E H >< S+ 0 0 103 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.953 114.3 46.8 -48.4 -51.8 12.9 47.5 41.9 102 102 A L H >< S+ 0 0 1 -4,-3.6 3,-2.2 1,-0.2 -2,-0.2 0.920 103.5 60.4 -60.6 -41.7 16.0 49.6 42.0 103 103 A A H 3< S+ 0 0 25 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.600 91.5 73.6 -59.7 -14.6 14.3 52.8 40.6 104 104 A T T << S+ 0 0 117 -3,-1.3 -1,-0.3 -4,-0.8 2,-0.2 0.535 79.5 87.3 -74.1 -13.6 12.1 52.6 43.6 105 105 A N < - 0 0 29 -3,-2.2 3,-0.1 -4,-0.2 -23,-0.1 -0.640 60.0-159.4 -89.5 149.2 14.8 53.8 46.0 106 106 A Q S S+ 0 0 168 -25,-0.3 -104,-3.2 1,-0.3 2,-0.4 0.755 82.3 37.0 -97.4 -24.4 15.3 57.5 46.6 107 107 A K E +b 2 0A 84 -26,-0.5 -24,-1.7 -106,-0.2 2,-0.4 -0.986 65.1 171.8-132.1 128.3 18.9 57.0 47.9 108 108 A L E -bc 3 83A 0 -106,-2.5 -104,-3.1 -2,-0.4 2,-0.5 -0.980 17.8-159.6-132.9 145.1 21.6 54.5 46.8 109 109 A I E -bc 4 84A 0 -26,-2.5 -24,-3.3 -2,-0.4 2,-0.6 -0.986 17.2-157.3-120.7 119.9 25.2 54.1 47.6 110 110 A L E -bc 5 85A 0 -106,-3.5 -104,-2.6 -2,-0.5 2,-0.6 -0.836 2.6-152.0-103.8 127.2 27.1 52.1 45.0 111 111 A V E -bc 6 86A 0 -26,-3.8 -24,-2.4 -2,-0.6 2,-0.6 -0.787 9.3-158.4-101.7 123.6 30.3 50.3 45.9 112 112 A C - 0 0 1 -106,-2.5 -104,-0.3 -2,-0.6 2,-0.1 -0.887 6.1-153.9-104.6 114.5 32.9 49.9 43.0 113 113 A G - 0 0 0 -2,-0.6 28,-2.5 -26,-0.4 29,-0.3 -0.468 10.0-173.6 -83.4 160.6 35.5 47.1 43.3 114 114 A R > + 0 0 51 3,-0.3 3,-1.6 26,-0.2 -52,-0.3 -0.834 58.6 18.7-137.6 166.6 38.9 47.1 41.6 115 115 A Y T 3 S- 0 0 74 24,-0.5 -54,-0.2 -2,-0.3 3,-0.1 -0.382 130.9 -31.4 67.1-140.9 41.5 44.2 41.5 116 116 A E T 3 S- 0 0 84 -56,-2.4 2,-0.4 1,-0.2 -1,-0.3 0.270 106.5-101.0 -95.3 10.0 40.0 40.9 42.4 117 117 A G < - 0 0 0 -3,-1.6 -55,-2.4 -57,-0.1 2,-0.3 -0.830 46.1 -40.0 124.1-153.3 37.5 42.4 44.7 118 118 A I - 0 0 15 -2,-0.4 2,-0.2 -57,-0.2 -55,-0.1 -0.905 58.7 -85.3-129.0 155.5 36.6 43.1 48.3 119 119 A D >> - 0 0 31 -2,-0.3 4,-1.7 -57,-0.3 3,-1.4 -0.371 32.5-131.2 -58.4 122.4 36.9 41.3 51.6 120 120 A E H 3> S+ 0 0 110 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.834 106.9 56.0 -39.8 -46.5 33.9 39.0 52.3 121 121 A R H 3> S+ 0 0 156 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.826 104.4 53.5 -62.3 -32.0 33.5 40.5 55.9 122 122 A V H <> S+ 0 0 4 -3,-1.4 4,-2.8 2,-0.2 5,-0.5 0.878 108.9 50.1 -66.0 -37.1 33.1 44.0 54.4 123 123 A I H X S+ 0 0 15 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.972 112.9 45.6 -68.0 -41.9 30.4 42.7 52.2 124 124 A Q H < S+ 0 0 126 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.716 123.0 34.9 -70.8 -18.8 28.6 41.1 55.1 125 125 A T H < S+ 0 0 92 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.734 128.1 28.6-107.3 -36.5 29.0 44.2 57.3 126 126 A E H < S+ 0 0 14 -4,-2.8 2,-0.4 -5,-0.2 -3,-0.2 0.595 103.7 74.9-106.1 -15.4 28.6 47.1 55.0 127 127 A I < - 0 0 20 -4,-1.7 -42,-0.2 -5,-0.5 3,-0.1 -0.883 42.5-171.9-116.6 139.7 26.4 46.0 52.0 128 128 A D S S+ 0 0 101 -44,-2.3 2,-0.3 -2,-0.4 -43,-0.2 0.873 76.9 5.1 -91.8 -38.5 22.7 45.4 51.6 129 129 A E E -d 85 0A 62 -45,-2.1 -43,-3.0 2,-0.0 2,-0.4 -0.999 56.1-139.9-153.8 147.5 22.8 43.8 48.2 130 130 A E E -d 86 0A 57 -2,-0.3 -38,-2.5 -45,-0.2 2,-0.4 -0.901 22.9-172.9-104.8 138.6 25.1 42.7 45.4 131 131 A W E -d 92 0A 6 -45,-2.4 -43,-2.7 -2,-0.4 2,-0.4 -0.984 7.9-161.7-133.0 136.5 24.3 43.3 41.7 132 132 A S E -d 93 0A 1 -40,-3.2 -38,-2.6 -2,-0.4 3,-0.1 -0.881 16.3-149.9-113.2 145.8 25.8 42.1 38.6 133 133 A I S S- 0 0 25 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.632 75.4 -35.4 -84.4 -6.0 25.4 43.6 35.2 134 134 A G S S- 0 0 4 2,-0.2 2,-3.0 -41,-0.0 -1,-0.3 -0.828 70.2 -75.1 160.7 155.8 25.9 40.2 33.4 135 135 A D S S+ 0 0 113 -2,-0.3 2,-0.3 -3,-0.1 -45,-0.0 -0.303 98.2 81.0 -71.1 61.7 27.7 36.9 33.4 136 136 A Y S S- 0 0 123 -2,-3.0 2,-0.5 2,-0.0 -2,-0.2 -0.966 78.1-102.8-157.2 164.9 31.0 38.2 32.2 137 137 A V - 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0 0 44 36,-0.6 40,-0.2 -2,-0.2 39,-0.1 -0.593 50.6-102.4 -75.6 146.9 12.5 42.5 21.8 167 177 A D - 0 0 97 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.319 36.8-109.0 -65.3 162.5 11.6 45.8 20.2 168 178 A C - 0 0 4 1,-0.2 -1,-0.1 -3,-0.1 30,-0.1 -0.372 43.2 -81.9 -86.5 167.4 10.6 45.9 16.4 169 179 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.289 46.2-144.4 -67.0 164.0 12.8 47.4 13.6 170 180 A H - 0 0 126 -3,-0.1 2,-0.3 2,-0.0 -3,-0.0 -0.899 12.2-164.8-127.5 154.1 12.7 51.2 13.2 171 181 A Y + 0 0 113 -2,-0.3 2,-0.2 12,-0.0 4,-0.1 -0.984 10.9 169.5-141.0 147.7 12.8 53.4 10.1 172 182 A T - 0 0 119 -2,-0.3 3,-0.0 2,-0.2 -2,-0.0 -0.767 46.6 -12.8-152.0 100.6 13.4 57.2 9.4 173 183 A R S S+ 0 0 235 -2,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.655 95.1 59.5 37.0 126.2 14.1 59.1 6.1 174 184 A P - 0 0 74 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.635 65.1-146.3 -82.1 171.5 14.8 58.4 3.2 175 185 A E S S+ 0 0 134 1,-0.2 7,-1.7 -2,-0.1 2,-0.4 0.751 92.3 34.9 -73.0 -28.4 11.9 56.2 2.1 176 186 A V E +F 181 0C 77 5,-0.2 2,-0.5 3,-0.0 5,-0.2 -0.993 68.4 178.2-129.0 121.4 14.3 54.2 -0.1 177 187 A L E > S-F 180 0C 101 3,-2.2 3,-1.5 -2,-0.4 -4,-0.0 -0.981 79.6 -20.3-125.6 110.6 17.8 53.6 1.1 178 188 A E T 3 S- 0 0 174 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.893 128.5 -49.8 57.1 44.9 19.8 51.5 -1.3 179 189 A G T 3 S+ 0 0 61 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.538 114.8 121.2 73.9 0.6 16.7 50.0 -2.9 180 190 A M E < -F 177 0C 125 -3,-1.5 -3,-2.2 3,-0.0 2,-0.2 -0.857 49.1-153.8-105.1 122.3 15.3 49.2 0.5 181 191 A E E -F 176 0C 124 -2,-0.6 -5,-0.2 -5,-0.2 -6,-0.1 -0.561 23.6-106.0 -94.9 151.1 12.1 50.7 1.4 182 192 A V - 0 0 20 -7,-1.7 5,-0.1 -2,-0.2 -1,-0.1 -0.521 58.6 -91.4 -64.4 127.4 10.5 51.6 4.6 183 193 A P >> - 0 0 24 0, 0.0 3,-1.8 0, 0.0 4,-0.8 -0.227 38.4-126.9 -44.9 126.9 7.7 48.9 5.1 184 194 A P H >> S+ 0 0 98 0, 0.0 4,-1.6 0, 0.0 3,-1.1 0.823 104.1 67.2 -50.8 -35.3 4.7 50.5 3.5 185 195 A V H 34 S+ 0 0 24 1,-0.3 9,-0.2 2,-0.2 5,-0.1 0.812 96.8 57.7 -53.1 -34.8 2.4 50.1 6.7 186 196 A L H <4 S+ 0 0 31 -3,-1.8 -1,-0.3 1,-0.2 8,-0.1 0.850 108.0 46.8 -68.2 -27.0 4.7 52.6 8.4 187 197 A L H << S+ 0 0 94 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.824 98.7 74.7 -83.8 -27.6 3.9 55.0 5.6 188 198 A S S < S- 0 0 49 -4,-1.6 -3,-0.0 1,-0.1 0, 0.0 0.208 86.5-127.8 -59.4-161.7 0.0 54.4 5.7 189 199 A G + 0 0 72 5,-0.0 2,-0.7 0, 0.0 -1,-0.1 0.389 60.3 135.8-133.0 2.4 -1.5 56.2 8.7 190 200 A N > - 0 0 77 1,-0.2 4,-2.3 -5,-0.1 5,-0.2 -0.354 40.3-161.2 -60.6 100.9 -3.4 53.2 10.0 191 201 A H H > S+ 0 0 122 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.847 88.1 37.1 -54.6 -41.3 -2.7 53.2 13.7 192 202 A A H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.851 110.9 55.4 -85.9 -33.5 -3.7 49.7 14.2 193 203 A E H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.913 115.2 46.0 -61.2 -35.9 -2.3 48.1 11.0 194 204 A I H X S+ 0 0 28 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.912 111.8 48.2 -68.7 -48.2 1.0 49.8 12.3 195 205 A R H X S+ 0 0 165 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.828 111.9 52.0 -59.1 -37.7 0.7 48.6 15.9 196 206 A R H X S+ 0 0 127 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.927 108.8 48.9 -69.8 -45.6 -0.1 45.1 14.6 197 207 A W H X S+ 0 0 36 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.943 113.1 48.9 -62.9 -45.0 3.1 45.1 12.4 198 208 A R H X S+ 0 0 116 -4,-2.6 4,-3.6 2,-0.2 -2,-0.2 0.958 113.2 44.1 -58.8 -50.4 5.2 46.2 15.3 199 209 A L H X S+ 0 0 56 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.926 115.1 50.5 -62.6 -44.8 3.8 43.6 17.8 200 210 A K H X S+ 0 0 22 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.953 112.8 45.0 -58.1 -49.2 4.2 40.9 15.0 201 211 A Q H X S+ 0 0 38 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.933 113.8 52.4 -63.3 -43.7 7.9 42.0 14.2 202 212 A S H X S+ 0 0 14 -4,-3.6 4,-1.9 -5,-0.3 -36,-0.6 0.920 110.1 46.3 -57.6 -42.1 8.5 42.0 18.0 203 213 A L H X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.954 114.7 47.5 -66.0 -46.6 7.1 38.5 18.4 204 214 A G H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.876 112.0 48.4 -60.6 -42.2 9.1 37.2 15.4 205 215 A R H X S+ 0 0 56 -4,-2.8 4,-3.3 2,-0.2 5,-0.4 0.897 110.1 51.4 -66.6 -46.6 12.5 38.7 16.4 206 216 A T H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 8,-0.3 0.864 113.6 47.3 -56.2 -36.7 12.1 37.5 20.0 207 217 A W H < S+ 0 0 76 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.971 116.2 42.6 -67.9 -52.9 11.5 34.0 18.4 208 218 A L H < S+ 0 0 85 -4,-3.0 -2,-0.2 1,-0.1 -3,-0.2 0.887 132.1 20.4 -61.0 -42.7 14.4 34.2 16.0 209 219 A R H < S+ 0 0 157 -4,-3.3 -3,-0.2 1,-0.1 -2,-0.2 0.773 135.5 21.3-101.7 -32.8 16.9 35.7 18.6 210 220 A R >X + 0 0 103 -4,-1.8 3,-1.9 -5,-0.4 4,-0.9 -0.446 59.6 163.3-141.1 61.1 15.7 35.0 22.2 211 221 A P H 3> S+ 0 0 59 0, 0.0 4,-0.7 0, 0.0 3,-0.3 0.795 73.5 66.7 -53.2 -29.0 13.4 32.0 22.0 212 222 A E H >> S+ 0 0 93 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.799 91.7 59.9 -67.1 -28.1 13.8 31.6 25.7 213 223 A L H X4 S+ 0 0 46 -3,-1.9 3,-1.4 -7,-0.3 -1,-0.2 0.914 101.2 56.0 -64.1 -37.2 12.0 34.9 26.5 214 224 A L H >< S+ 0 0 14 -4,-0.9 3,-1.1 -3,-0.3 -1,-0.2 0.793 98.1 60.4 -67.7 -22.7 9.0 33.6 24.8 215 225 A E H << S+ 0 0 151 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.664 104.7 49.9 -74.5 -18.9 8.8 30.6 27.0 216 226 A N T << S+ 0 0 142 -3,-1.4 2,-0.4 -4,-0.6 -1,-0.3 0.078 98.5 88.7-104.7 19.2 8.4 32.9 30.1 217 227 A L S < S- 0 0 40 -3,-1.1 2,-1.0 -53,-0.0 -53,-0.0 -0.932 71.3-141.2-116.5 137.9 5.7 34.8 28.4 218 228 A A - 0 0 100 -2,-0.4 2,-0.1 0, 0.0 -3,-0.1 -0.822 30.4-149.4 -96.8 104.5 2.1 34.0 28.6 219 229 A L - 0 0 63 -2,-1.0 2,-0.1 -5,-0.2 -5,-0.0 -0.475 4.0-133.0 -75.2 145.0 0.9 34.8 25.0 220 230 A T > - 0 0 77 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.368 33.2-104.4 -78.3 169.9 -2.6 36.1 24.2 221 231 A E H > S+ 0 0 149 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.919 123.1 55.0 -63.5 -39.2 -4.4 34.4 21.3 222 232 A E H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 109.6 46.6 -58.9 -47.8 -3.7 37.6 19.1 223 233 A Q H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 110.3 52.4 -62.7 -42.8 -0.0 37.2 19.8 224 234 A A H X S+ 0 0 43 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.927 111.4 47.9 -56.8 -45.8 -0.1 33.5 19.1 225 235 A R H X S+ 0 0 135 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.934 112.2 46.8 -62.3 -49.4 -1.7 34.2 15.8 226 236 A L H X S+ 0 0 14 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.888 116.7 46.3 -57.4 -39.6 0.8 37.0 14.8 227 237 A L H >X S+ 0 0 10 -4,-2.5 4,-3.7 2,-0.2 3,-0.6 0.992 112.8 47.3 -66.4 -63.2 3.7 34.7 15.9 228 238 A A H 3X S+ 0 0 53 -4,-3.0 4,-1.9 1,-0.3 -2,-0.2 0.891 114.7 50.2 -42.3 -39.6 2.3 31.6 14.0 229 239 A E H 3X S+ 0 0 67 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.3 0.873 111.3 47.1 -72.2 -35.2 1.9 34.1 11.1 230 240 A F H << S+ 0 0 20 -4,-1.9 -2,-0.2 -3,-0.6 -1,-0.2 0.946 109.5 52.5 -70.4 -46.5 5.4 35.3 11.5 231 241 A K H >X S+ 0 0 89 -4,-3.7 4,-1.4 1,-0.2 3,-0.9 0.892 110.7 50.8 -55.4 -40.2 6.9 31.8 11.7 232 242 A T H 3X S+ 0 0 89 -4,-1.9 4,-1.1 -5,-0.4 3,-0.3 0.924 108.2 46.7 -67.3 -47.3 5.0 30.9 8.4 233 243 A E H 3< S+ 0 0 98 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.390 109.8 60.5 -77.9 11.1 6.1 33.8 6.3 234 244 A H H <4 S+ 0 0 95 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.751 93.2 58.8-101.1 -34.5 9.5 32.9 7.5 235 245 A A H < 0 0 84 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.1 0.817 360.0 360.0 -61.7 -26.3 9.5 29.4 6.2 236 246 A Q < 0 0 184 -4,-1.1 -2,-0.2 0, 0.0 -3,-0.1 0.905 360.0 360.0 -78.8 360.0 9.0 31.2 2.8 237 ! 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 0.0 238 300 A X 0 0 63 0, 0.0 -122,-0.1 0, 0.0 -120,-0.1 0.000 360.0 360.0 360.0 360.0 36.2 38.7 41.6