==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-05 1ZJR . COMPND 2 MOLECULE: TRNA (GUANOSINE-2'-O-)-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR E.PLESHE,J.TRUESDELL,R.T.BATEY . 197 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.0 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 1.0 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 . 19 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 0 1 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 6 A L >> 0 0 150 0, 0.0 4,-1.2 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -34.8 2.1 30.9 116.4 2 7 A V H >> + 0 0 122 1,-0.3 4,-1.5 2,-0.2 3,-0.7 0.911 360.0 54.3 -56.5 -45.3 1.2 31.0 112.7 3 8 A L H 3> S+ 0 0 111 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.788 102.0 59.9 -60.7 -27.3 3.0 34.3 112.3 4 9 A E H <> S+ 0 0 108 -3,-0.7 4,-2.2 1,-0.2 -1,-0.3 0.866 101.3 54.6 -67.8 -36.5 6.0 32.6 113.7 5 10 A K H X S+ 0 0 33 -4,-2.2 3,-1.6 1,-0.2 4,-0.8 0.933 109.6 50.7 -65.5 -45.9 14.3 32.5 102.3 14 19 A L H >< S+ 0 0 0 -4,-3.0 3,-0.5 1,-0.3 164,-0.4 0.837 102.4 62.0 -62.5 -30.4 16.6 35.3 103.5 15 20 A E T 3< S+ 0 0 71 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.646 110.2 40.3 -70.8 -11.7 19.4 32.8 104.1 16 21 A K T <4 S+ 0 0 121 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.470 87.1 122.5-111.6 -7.6 19.3 31.9 100.3 17 22 A R << - 0 0 5 -4,-0.8 2,-1.0 -3,-0.5 160,-0.8 -0.284 59.4-137.4 -59.7 139.2 18.9 35.5 99.0 18 23 A Q E > -a 46 0A 0 27,-3.5 3,-1.8 1,-0.2 29,-0.7 -0.793 19.7-177.1 -99.2 90.1 21.6 36.7 96.6 19 24 A K E 3 S+ 0 0 94 -2,-1.0 -1,-0.2 1,-0.3 27,-0.1 0.692 83.3 58.2 -61.3 -14.6 22.2 40.3 97.8 20 25 A D E 3 S+ 0 0 29 1,-0.1 96,-2.0 -3,-0.1 2,-0.8 0.547 86.4 78.9 -91.4 -17.0 24.6 40.4 94.9 21 26 A L E < - b 0 116A 0 -3,-1.8 26,-0.5 24,-0.2 27,-0.5 -0.857 63.9-177.3-102.8 103.9 22.2 39.7 92.0 22 27 A I E -ab 48 117A 2 94,-3.2 96,-3.4 -2,-0.8 2,-0.4 -0.759 13.0-155.3-104.3 146.3 20.2 42.8 91.2 23 28 A V E -ab 49 118A 0 25,-2.0 27,-2.7 -2,-0.3 2,-0.5 -0.969 3.9-167.0-122.4 137.6 17.4 43.2 88.6 24 29 A F E -ab 50 119A 0 94,-2.9 96,-2.4 -2,-0.4 2,-0.7 -0.986 9.5-153.6-125.0 118.7 16.4 46.5 87.0 25 30 A A E -ab 51 120A 0 25,-3.0 27,-2.2 -2,-0.5 2,-1.0 -0.838 10.4-155.9 -95.2 111.7 13.1 46.6 85.1 26 31 A D E -ab 52 121A 0 94,-3.7 96,-1.5 -2,-0.7 97,-0.3 -0.763 66.8 -38.2 -96.0 98.5 13.3 49.3 82.4 27 32 A N S S- 0 0 35 25,-2.4 2,-0.5 -2,-1.0 95,-0.4 0.915 72.0-166.1 55.4 54.2 9.9 50.5 81.5 28 33 A V - 0 0 9 24,-0.4 -1,-0.2 -3,-0.2 26,-0.1 -0.601 12.9-141.8 -73.1 121.7 8.0 47.2 81.6 29 34 A K + 0 0 161 -2,-0.5 2,-0.2 24,-0.1 -1,-0.1 0.949 67.4 29.4 -48.1 -82.4 4.6 47.8 79.9 30 35 A N > - 0 0 70 1,-0.1 4,-2.0 4,-0.0 3,-0.3 -0.545 69.2-125.6 -94.5 155.7 1.9 45.9 81.7 31 36 A E H > S+ 0 0 103 1,-0.2 4,-2.9 2,-0.2 31,-0.4 0.735 106.3 63.7 -65.6 -25.6 1.4 44.9 85.4 32 37 A H H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 108.3 41.5 -65.9 -44.5 0.9 41.2 84.5 33 38 A N H > S+ 0 0 24 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.912 115.1 51.6 -67.9 -40.9 4.4 41.0 83.1 34 39 A F H X S+ 0 0 14 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.935 110.2 47.9 -61.6 -45.1 5.8 43.1 86.0 35 40 A S H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.882 110.1 52.7 -62.9 -38.0 4.1 40.9 88.6 36 41 A A H X S+ 0 0 20 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.888 107.8 51.8 -64.5 -38.1 5.5 37.8 86.9 37 42 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.884 107.2 52.5 -65.8 -38.3 8.9 39.3 87.0 38 43 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.938 109.6 49.3 -62.7 -44.8 8.6 40.0 90.8 39 44 A R H X S+ 0 0 130 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.894 111.2 49.6 -60.0 -41.8 7.6 36.3 91.2 40 45 A T H X S+ 0 0 26 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.867 107.8 53.2 -66.5 -37.8 10.6 35.2 89.2 41 46 A C H X>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 4,-0.8 0.948 109.9 48.8 -61.2 -47.1 13.0 37.4 91.2 42 47 A D H ><5S+ 0 0 44 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.878 108.2 55.9 -58.7 -40.2 11.7 35.8 94.4 43 48 A A H 3<5S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 111.3 40.4 -63.2 -40.1 12.2 32.3 92.9 44 49 A V H 3<5S- 0 0 1 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.466 120.9 -98.5 -91.7 -1.5 15.9 32.7 92.1 45 50 A G T <<5 + 0 0 5 -4,-0.8 -27,-3.5 -3,-0.6 2,-0.3 0.647 64.3 158.4 97.3 15.0 16.9 34.6 95.3 46 51 A V E < -a 18 0A 0 -5,-2.8 -1,-0.3 -6,-0.2 -27,-0.1 -0.599 15.7-179.7 -75.5 132.7 16.9 38.1 94.0 47 52 A L E + 0 0 0 -29,-0.7 27,-3.0 -26,-0.5 2,-0.5 0.716 63.7 51.4-103.0 -29.2 16.5 40.6 96.9 48 53 A Y E +ac 22 74A 71 -27,-0.5 -25,-2.0 -30,-0.3 2,-0.5 -0.952 54.9 175.1-120.8 123.3 16.5 43.9 95.1 49 54 A L E -ac 23 75A 0 25,-3.1 27,-2.3 -2,-0.5 2,-0.3 -0.986 8.9-172.7-124.1 118.7 14.3 44.9 92.1 50 55 A Y E -ac 24 76A 23 -27,-2.7 -25,-3.0 -2,-0.5 2,-0.3 -0.793 7.1-171.1-107.6 153.7 14.5 48.5 90.8 51 56 A Y E -ac 25 77A 27 25,-2.0 27,-2.9 -2,-0.3 2,-0.4 -0.998 19.8-158.6-149.7 152.2 12.2 49.8 88.1 52 57 A Y E +a 26 0A 85 -27,-2.2 -25,-2.4 -2,-0.3 -24,-0.4 -0.996 25.1 177.7-126.8 129.0 11.7 52.9 85.9 53 58 A H - 0 0 56 3,-0.7 5,-0.1 -2,-0.4 -24,-0.1 -0.965 33.2 -86.4-139.8 156.8 8.3 53.5 84.4 54 59 A A S S+ 0 0 52 -2,-0.3 4,-0.2 1,-0.1 3,-0.1 -0.134 104.4 14.1 -54.7 149.3 6.3 56.0 82.3 55 60 A E S > S- 0 0 196 1,-0.2 2,-1.6 2,-0.1 3,-0.7 0.951 142.3 -41.0 44.6 83.7 4.8 59.0 84.0 56 61 A G T 3 S- 0 0 43 1,-0.2 -3,-0.7 23,-0.1 -1,-0.2 -0.585 89.4-101.9 72.1 -94.7 6.6 58.9 87.3 57 62 A K T 3 + 0 0 0 -2,-1.6 2,-1.8 -5,-0.1 -1,-0.2 0.402 49.1 173.3 146.5 28.4 6.3 55.1 87.6 58 63 A K < - 0 0 92 -3,-0.7 2,-0.4 -4,-0.2 -4,-0.0 -0.391 21.7-165.1 -61.4 87.6 3.5 54.4 90.1 59 64 A A - 0 0 39 -2,-1.8 2,-0.7 -8,-0.1 -1,-0.0 -0.657 10.6-156.4 -84.0 129.0 3.6 50.6 89.6 60 65 A K - 0 0 67 -2,-0.4 2,-0.2 2,-0.0 -25,-0.1 -0.898 10.3-152.5-108.4 107.3 0.6 48.6 90.8 61 66 A I - 0 0 50 -2,-0.7 2,-0.7 -27,-0.1 -29,-0.1 -0.532 14.6-126.5 -79.4 142.9 1.4 44.9 91.5 62 67 A N >> - 0 0 63 -31,-0.4 4,-2.6 -2,-0.2 3,-1.3 -0.814 12.2-160.8 -93.5 112.3 -1.3 42.3 91.2 63 68 A E H 3> S+ 0 0 61 -2,-0.7 4,-1.4 1,-0.3 5,-0.3 0.795 92.3 58.6 -60.4 -29.1 -1.5 40.3 94.4 64 69 A G H 34 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.710 115.2 34.3 -74.2 -20.3 -3.3 37.6 92.5 65 70 A I H <4 S+ 0 0 28 -3,-1.3 -2,-0.2 1,-0.0 -1,-0.2 0.670 120.0 48.0-104.5 -25.7 -0.4 37.2 90.1 66 71 A T H >< S- 0 0 0 -4,-2.6 3,-2.2 -28,-0.1 -3,-0.2 0.673 92.4-145.2 -87.2 -19.2 2.4 37.8 92.5 67 72 A Q T 3< - 0 0 84 -4,-1.4 -3,-0.1 -5,-0.3 -4,-0.1 0.728 68.5 -59.0 60.2 22.7 0.9 35.4 95.0 68 73 A G T > S+ 0 0 18 -5,-0.3 3,-1.8 -6,-0.2 -1,-0.3 0.400 110.2 122.2 88.7 -2.9 2.2 37.7 97.7 69 74 A S G X + 0 0 13 -3,-2.2 3,-1.9 1,-0.3 4,-0.2 0.789 56.9 78.4 -61.9 -27.6 5.8 37.3 96.6 70 75 A H G 3 S+ 0 0 50 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.633 85.7 66.8 -56.5 -11.0 5.9 41.1 96.1 71 76 A K G < S+ 0 0 82 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.761 98.0 45.4 -84.4 -26.6 6.4 41.1 99.9 72 77 A W S < S+ 0 0 26 -3,-1.9 2,-0.4 -4,-0.2 -1,-0.2 0.148 101.4 71.1-107.3 22.1 9.8 39.5 100.1 73 78 A V S S- 0 0 6 -3,-0.4 2,-0.6 -4,-0.2 -25,-0.2 -0.996 83.0-123.0-132.3 133.9 11.6 41.4 97.4 74 79 A F E -c 48 0A 44 -27,-3.0 -25,-3.1 -2,-0.4 2,-0.6 -0.720 29.0-165.4 -80.4 118.5 12.6 45.1 97.9 75 80 A I E -c 49 0A 52 -2,-0.6 2,-0.5 -5,-0.2 -25,-0.2 -0.932 8.4-178.1-110.3 118.3 11.0 47.0 95.0 76 81 A E E -c 50 0A 89 -27,-2.3 -25,-2.0 -2,-0.6 2,-0.2 -0.967 21.0-137.8-125.0 125.7 12.3 50.5 94.4 77 82 A K E -c 51 0A 80 -2,-0.5 2,-0.4 -27,-0.2 -25,-0.2 -0.554 20.6-160.6 -77.5 137.9 11.2 53.1 91.9 78 83 A V - 0 0 11 -27,-2.9 -25,-0.4 -2,-0.2 -2,-0.0 -0.946 16.6-163.4-121.3 142.1 14.0 55.0 90.2 79 84 A D S S+ 0 0 126 -2,-0.4 -1,-0.1 1,-0.3 -23,-0.1 0.623 86.4 36.3 -97.8 -17.4 13.6 58.3 88.3 80 85 A N > - 0 0 70 1,-0.1 4,-2.1 2,-0.0 -1,-0.3 -0.852 64.4-171.3-140.4 100.0 16.9 58.2 86.5 81 86 A P H > S+ 0 0 12 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.919 86.0 48.3 -55.7 -54.3 18.1 54.7 85.2 82 87 A V H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.881 111.5 51.0 -58.1 -40.8 21.6 55.6 84.1 83 88 A Q H > S+ 0 0 115 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.938 114.0 43.6 -63.3 -46.8 22.3 57.5 87.3 84 89 A K H X S+ 0 0 39 -4,-2.1 4,-1.4 1,-0.2 3,-0.2 0.922 114.4 49.4 -64.9 -45.0 21.2 54.5 89.5 85 90 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.837 107.0 56.1 -64.4 -32.5 23.0 52.0 87.3 86 91 A L H X S+ 0 0 58 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.848 101.3 58.3 -67.4 -33.6 26.2 54.1 87.5 87 92 A E H X S+ 0 0 89 -4,-1.4 4,-0.5 -3,-0.2 -1,-0.2 0.906 111.1 41.2 -61.4 -42.3 26.0 53.9 91.2 88 93 A F H ><>S+ 0 0 7 -4,-1.4 5,-2.4 2,-0.2 3,-0.6 0.899 113.1 53.9 -72.2 -41.2 26.1 50.1 91.0 89 94 A K H ><5S+ 0 0 59 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.942 107.4 49.6 -58.9 -48.5 28.8 50.1 88.3 90 95 A N H 3<5S+ 0 0 138 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.699 106.1 59.9 -64.1 -17.7 31.1 52.3 90.4 91 96 A R T <<5S- 0 0 177 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.338 130.0 -93.8 -90.7 4.8 30.5 49.9 93.2 92 97 A G T < 5S+ 0 0 57 -3,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.529 79.8 139.1 97.6 6.0 31.9 47.0 91.2 93 98 A F < - 0 0 17 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.3 -0.684 49.8-132.3 -86.4 135.7 28.7 45.6 89.7 94 99 A Q E -d 116 0A 15 21,-2.4 23,-2.5 -2,-0.4 2,-0.7 -0.719 18.3-136.2 -85.1 135.8 28.7 44.6 86.0 95 100 A I E -d 117 0A 0 -2,-0.4 41,-2.7 39,-0.2 42,-2.3 -0.857 21.3-171.9 -97.7 114.2 25.7 46.0 84.1 96 101 A V E -de 118 137A 0 21,-2.4 23,-3.4 -2,-0.7 2,-0.4 -0.926 8.2-175.8-109.3 115.8 24.2 43.3 81.9 97 102 A A E -de 119 138A 0 40,-2.9 42,-2.7 -2,-0.6 2,-0.6 -0.924 29.7-124.5-121.6 138.7 21.5 44.6 79.5 98 103 A T E + e 0 139A 22 21,-2.0 29,-1.5 -2,-0.4 2,-0.4 -0.656 39.1 172.8 -75.6 117.8 19.2 42.9 77.1 99 104 A W B -G 126 0B 21 40,-2.0 2,-1.4 -2,-0.6 27,-0.2 -0.975 31.2-137.3-134.1 116.4 19.9 44.6 73.8 100 105 A L + 0 0 67 25,-2.4 2,-0.3 -2,-0.4 40,-0.1 -0.596 60.4 114.2 -77.0 94.6 18.3 43.3 70.5 101 106 A S S > S- 0 0 30 -2,-1.4 3,-1.3 4,-0.1 -2,-0.1 -0.982 74.8-120.6-160.8 150.8 21.3 43.6 68.2 102 107 A K T 3 S+ 0 0 206 -2,-0.3 38,-0.1 1,-0.3 -2,-0.0 0.665 113.2 63.5 -69.4 -13.5 23.5 41.4 66.1 103 108 A E T 3 S+ 0 0 115 2,-0.1 -1,-0.3 36,-0.1 35,-0.1 0.643 85.2 95.9 -83.5 -16.4 26.4 42.9 68.1 104 109 A S S < S- 0 0 13 -3,-1.3 35,-0.2 -5,-0.2 2,-0.2 -0.309 72.9-123.4 -72.9 159.0 25.1 41.4 71.4 105 110 A V E -f 139 0A 50 33,-2.8 35,-2.1 1,-0.1 2,-0.1 -0.671 32.8 -84.9-104.8 159.6 26.3 38.2 72.8 106 111 A N E > -f 140 0A 51 -2,-0.2 3,-2.5 33,-0.2 4,-0.3 -0.389 41.7-124.6 -58.8 130.8 24.5 35.0 73.8 107 112 A F G > S+ 0 0 1 33,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.677 106.6 66.0 -55.5 -19.6 23.2 35.4 77.3 108 113 A R G 3 S+ 0 0 138 1,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.543 85.6 72.1 -81.8 -3.9 25.0 32.3 78.5 109 114 A E G < S+ 0 0 138 -3,-2.5 -1,-0.2 2,-0.1 2,-0.2 0.598 80.1 92.5 -85.3 -10.1 28.4 33.9 77.9 110 115 A V S < S- 0 0 3 -3,-0.8 2,-0.9 -4,-0.3 -14,-0.0 -0.553 77.1-129.6 -85.2 147.3 28.1 36.2 80.9 111 116 A D > + 0 0 64 -2,-0.2 3,-0.8 1,-0.1 -2,-0.1 -0.839 26.7 178.3 -97.4 100.0 29.4 35.2 84.3 112 117 A Y T 3 + 0 0 1 -2,-0.9 4,-0.2 1,-0.2 -1,-0.1 0.433 64.3 82.6 -83.0 1.3 26.4 35.9 86.6 113 118 A T T 3 S+ 0 0 14 2,-0.1 -1,-0.2 53,-0.0 3,-0.1 0.640 80.5 73.2 -80.4 -14.4 28.2 34.7 89.7 114 119 A K S < S- 0 0 93 -3,-0.8 -21,-0.1 1,-0.2 53,-0.0 -0.531 113.2 -63.5 -92.7 164.8 29.9 38.1 90.2 115 120 A P S S+ 0 0 47 0, 0.0 -21,-2.4 0, 0.0 2,-0.4 -0.287 74.5 175.3 -50.2 120.5 28.1 41.2 91.5 116 121 A T E -bd 21 94A 0 -96,-2.0 -94,-3.2 -23,-0.2 2,-0.6 -0.988 35.8-159.3-139.4 142.3 25.6 41.8 88.7 117 122 A V E -bd 22 95A 1 -23,-2.5 -21,-2.4 -2,-0.4 2,-0.6 -0.975 19.7-155.9-116.9 112.8 22.7 44.1 87.8 118 123 A L E -bd 23 96A 1 -96,-3.4 -94,-2.9 -2,-0.6 2,-0.5 -0.825 8.3-160.8 -90.8 120.5 20.5 42.5 85.1 119 124 A V E +bd 24 97A 0 -23,-3.4 -21,-2.0 -2,-0.6 2,-0.3 -0.905 16.7 167.1-107.4 124.0 18.6 45.1 83.1 120 125 A V E +b 25 0A 2 -96,-2.4 -94,-3.7 -2,-0.5 2,-0.3 -0.809 8.5 148.6-125.2 166.1 15.5 44.0 81.2 121 126 A G E -b 26 0A 8 -2,-0.3 -94,-0.2 -96,-0.2 -93,-0.1 -0.997 51.2-106.0-179.9 177.9 12.8 46.1 79.6 122 127 A N + 0 0 61 -96,-1.5 5,-0.2 -95,-0.4 2,-0.1 -0.073 67.5 122.7-114.5 29.7 10.1 46.8 76.9 123 128 A E B > S-H 126 0B 67 3,-2.9 3,-2.2 -97,-0.3 -2,-0.1 -0.411 85.0 -83.3 -82.3 170.8 11.8 49.5 74.9 124 129 A L T 3 S+ 0 0 162 1,-0.3 4,-0.1 -2,-0.1 3,-0.1 0.837 129.8 22.5 -41.7 -49.9 12.3 48.9 71.2 125 130 A Q T 3 S- 0 0 69 2,-0.5 -25,-2.4 -27,-0.0 2,-0.8 0.095 125.1 -89.5-109.7 24.2 15.5 46.9 71.6 126 131 A G B < S+GH 99 123B 13 -3,-2.2 -3,-2.9 -27,-0.2 -27,-0.2 -0.814 106.8 29.4 109.6 -91.5 15.0 45.8 75.2 127 132 A V S S- 0 0 1 -29,-1.5 -2,-0.5 -2,-0.8 -27,-0.2 -0.522 98.9 -90.1 -94.9 169.0 16.6 48.5 77.3 128 133 A S > - 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0 0 71 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.433 48.2-121.5 -59.2 136.3 7.8 38.2 76.2 152 157 A V H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.839 110.2 50.7 -54.1 -37.5 9.9 40.3 78.7 153 158 A S H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 111.2 47.8 -69.4 -39.6 8.8 38.2 81.7 154 159 A V H > S+ 0 0 75 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.938 112.4 48.8 -66.3 -45.0 9.7 35.0 80.0 155 160 A A H X S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.901 109.1 53.9 -61.0 -41.2 13.1 36.3 78.9 156 161 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.909 109.8 47.2 -60.8 -42.0 13.8 37.6 82.4 157 162 A G H X S+ 0 0 14 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.898 110.9 51.5 -66.7 -40.4 13.1 34.1 83.8 158 163 A I H X S+ 0 0 61 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.940 115.1 41.8 -61.7 -46.9 15.3 32.4 81.2 159 164 A I H >X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 3,-0.9 0.940 113.6 51.5 -67.8 -47.2 18.2 34.7 81.9 160 165 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.820 108.0 53.3 -61.3 -29.9 17.8 34.7 85.7 161 166 A Y H 3X S+ 0 0 103 -4,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.707 104.1 54.0 -80.8 -15.4 17.7 30.9 85.7 162 167 A E H S+ 0 0 1 -4,-2.6 5,-2.7 1,-0.2 3,-0.4 0.870 111.1 54.8 -66.3 -36.7 25.5 30.4 91.2 168 173 A E H ><5S+ 0 0 102 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.926 103.8 56.1 -60.9 -43.8 24.1 27.0 92.3 169 174 A E H 3<5S+ 0 0 137 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.782 108.2 47.6 -59.7 -29.8 27.1 25.3 90.8 170 175 A K T 3<5S- 0 0 133 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.302 116.9-113.8 -94.3 7.8 29.4 27.4 93.0 171 176 A G T X 5 + 0 0 22 -3,-2.0 3,-1.3 -4,-0.1 4,-0.5 0.747 68.3 145.1 67.7 24.6 27.3 26.7 96.1 172 177 A M T 3 - 0 0 41 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.390 25.9-107.0 -81.3 163.8 25.0 38.7 107.4 180 185 A E H > S+ 0 0 71 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.850 121.7 56.0 -59.4 -34.9 22.9 37.8 110.5 181 186 A E H > S+ 0 0 143 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 110.7 43.9 -62.0 -45.8 22.7 41.5 111.3 182 187 A E H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.873 113.2 51.3 -66.6 -39.4 21.2 42.2 107.9 183 188 A I H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.941 111.7 46.5 -64.4 -47.7 18.9 39.2 108.2 184 189 A Q H X S+ 0 0 80 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.890 110.6 53.7 -63.3 -36.8 17.6 40.3 111.6 185 190 A K H X S+ 0 0 115 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.930 112.2 43.8 -63.0 -45.1 17.1 43.8 110.3 186 191 A I H X S+ 0 0 3 -4,-2.3 4,-3.1 2,-0.2 5,-0.4 0.916 111.4 53.4 -67.0 -42.9 15.0 42.7 107.4 187 192 A L H X S+ 0 0 26 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.943 113.5 43.6 -55.9 -49.1 13.0 40.2 109.5 188 193 A K H X S+ 0 0 126 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.941 116.1 47.7 -61.6 -49.0 12.1 43.0 112.0 189 194 A K H X S+ 0 0 89 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.947 115.9 41.2 -59.6 -53.8 11.3 45.5 109.2 190 195 A W H X S+ 0 0 10 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.839 111.7 55.1 -67.1 -32.4 9.1 43.3 107.1 191 196 A A H X S+ 0 0 27 -4,-2.1 4,-0.6 -5,-0.4 -1,-0.2 0.834 115.2 42.9 -67.2 -29.7 7.3 41.8 110.1 192 197 A Y H >X S+ 0 0 153 -4,-1.5 4,-2.3 -3,-0.2 3,-0.7 0.928 115.4 45.2 -79.3 -50.6 6.6 45.4 111.0 193 198 A E H 3< S+ 0 0 89 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.810 106.0 62.9 -64.3 -30.9 5.6 46.7 107.6 194 199 A D H 3< S+ 0 0 69 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.833 113.5 34.5 -63.2 -32.7 3.5 43.6 107.0 195 200 A V H << S+ 0 0 120 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.1 0.948 107.2 69.4 -85.6 -62.2 1.3 44.6 109.9 196 201 A I < 0 0 92 -4,-2.3 0, 0.0 1,-0.1 0, 0.0 -0.157 360.0 360.0 -57.0 152.2 1.3 48.4 109.7 197 202 A K 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.063 360.0 360.0-175.6 360.0 -0.6 50.0 106.7