==== 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 08-MAY-08 3D2L . COMPND 2 MOLECULE: SAM-DEPENDENT METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EXIGUOBACTERIUM SIBIRICUM 255-15; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 956 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 713 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 19.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 69 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 0 2 8 1 1 0 4 4 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 6 6 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 0 0 0 0 4 8 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 0 0 4 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 Q > 0 0 123 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 84.9 81.8 11.9 33.9 2 6 A F T > + 0 0 70 1,-0.3 3,-2.4 2,-0.2 4,-0.3 0.762 360.0 80.0 -41.2 -37.5 80.2 14.2 31.2 3 7 A A T >> S+ 0 0 4 1,-0.3 3,-1.6 2,-0.2 4,-0.8 0.725 75.9 72.6 -51.5 -27.3 79.6 16.9 33.9 4 8 A Y H <> S+ 0 0 65 -3,-2.4 4,-2.0 1,-0.3 -1,-0.3 0.744 80.7 72.2 -60.6 -22.2 83.3 18.0 33.7 5 9 A V H <> S+ 0 0 7 -3,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.814 95.8 53.5 -62.3 -27.6 82.6 19.6 30.3 6 10 A Y H <> S+ 0 0 46 -3,-1.6 4,-1.4 -4,-0.3 -1,-0.2 0.880 104.4 53.3 -73.7 -37.3 80.6 22.3 32.3 7 11 A D H < S+ 0 0 30 -4,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.879 111.4 46.4 -66.5 -35.2 83.6 23.0 34.6 8 12 A E H >< S+ 0 0 23 -4,-2.0 3,-2.4 2,-0.2 4,-0.3 0.975 106.9 56.2 -70.2 -51.4 85.8 23.6 31.6 9 13 A L H 3< S+ 0 0 38 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.798 119.8 34.1 -46.7 -30.4 83.1 25.8 29.9 10 14 A X T >< S+ 0 0 60 -4,-1.4 3,-2.6 1,-0.1 -1,-0.3 0.220 78.0 118.4-111.4 9.9 83.2 28.0 33.1 11 15 A Q T < S+ 0 0 110 -3,-2.4 -1,-0.1 1,-0.3 -2,-0.1 0.813 85.6 42.0 -48.6 -33.1 86.9 27.6 34.1 12 16 A D T 3 S+ 0 0 148 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.363 82.4 120.7 -95.7 1.5 87.3 31.4 33.6 13 17 A V < - 0 0 35 -3,-2.6 2,-2.2 1,-0.1 -3,-0.1 -0.561 68.4-129.9 -66.5 122.1 83.9 32.4 35.3 14 18 A P >> + 0 0 70 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.408 39.8 166.1 -80.2 67.3 84.9 34.6 38.3 15 19 A Y H >> + 0 0 30 -2,-2.2 4,-2.0 1,-0.3 3,-1.1 0.796 66.6 70.5 -50.2 -37.2 83.0 32.8 41.0 16 20 A P H 3> S+ 0 0 83 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.752 90.8 61.8 -57.3 -21.3 84.8 34.6 43.8 17 21 A E H <> S+ 0 0 103 -3,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.845 104.8 46.5 -69.8 -36.2 83.0 37.8 42.7 18 22 A W H X S+ 0 0 16 -4,-1.3 3,-0.8 2,-0.2 4,-0.7 0.918 108.1 50.5 -69.4 -44.6 78.8 39.6 47.2 22 26 A V H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-1.7 0.931 105.6 58.8 -59.2 -43.7 77.3 36.9 49.4 23 27 A L H 3< S+ 0 0 53 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.769 101.2 55.9 -57.3 -27.5 79.9 37.9 52.1 24 28 A E H << S+ 0 0 135 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.689 118.5 32.0 -75.7 -21.1 78.4 41.4 52.0 25 29 A Q H << S+ 0 0 51 -3,-1.7 2,-0.4 -4,-0.7 -2,-0.2 0.679 117.5 46.4-109.2 -25.9 74.9 40.1 52.8 26 30 A V S < S- 0 0 5 -4,-2.5 -1,-0.2 -5,-0.1 3,-0.1 -0.993 83.7-118.3-128.8 123.2 75.3 37.0 55.0 27 31 A E > - 0 0 107 -2,-0.4 3,-1.7 1,-0.1 -3,-0.1 -0.325 38.4-104.0 -59.0 134.5 77.6 36.9 58.0 28 32 A P T 3 S+ 0 0 83 0, 0.0 22,-0.2 0, 0.0 -1,-0.1 -0.207 106.3 40.9 -56.2 152.2 80.3 34.3 57.7 29 33 A G T 3 S+ 0 0 49 20,-3.1 21,-0.2 1,-0.3 22,-0.1 0.161 88.3 123.0 94.4 -19.9 79.7 31.2 59.8 30 34 A K < - 0 0 72 -3,-1.7 21,-2.3 19,-0.2 2,-0.5 -0.207 68.7-101.1 -70.6 166.8 76.0 31.1 59.0 31 35 A R E -a 51 0A 100 19,-0.2 62,-2.1 -3,-0.1 63,-1.3 -0.828 41.8-175.9 -98.1 125.0 74.2 28.2 57.4 32 36 A I E -ab 52 94A 1 19,-2.3 21,-2.3 -2,-0.5 2,-0.6 -0.966 23.0-153.3-127.0 137.9 73.4 28.5 53.7 33 37 A A E -ab 53 95A 0 61,-2.2 63,-2.7 -2,-0.4 2,-0.8 -0.960 15.6-160.5-105.3 117.0 71.6 26.3 51.2 34 38 A D E -ab 54 96A 4 19,-3.2 21,-2.4 -2,-0.6 3,-0.5 -0.898 16.0-162.1-101.9 109.3 73.0 26.9 47.7 35 39 A I E +a 55 0A 0 61,-2.7 63,-0.4 -2,-0.8 21,-0.2 -0.687 65.1 19.7-104.4 145.4 70.4 25.8 45.3 36 40 A G S S+ 0 0 15 19,-1.9 20,-0.2 -2,-0.3 -1,-0.2 0.884 77.8 161.1 65.1 41.0 70.8 24.9 41.6 37 41 A C > - 0 0 16 18,-2.0 3,-2.5 -3,-0.5 6,-0.3 0.457 20.4-168.7 -75.8 -5.1 74.4 24.6 42.4 38 42 A G T 3 S- 0 0 14 1,-0.3 -1,-0.2 17,-0.2 27,-0.2 -0.214 75.1 -5.5 53.3-128.3 75.4 22.5 39.4 39 43 A T T 3 S- 0 0 11 -36,-0.1 -1,-0.3 25,-0.1 29,-0.1 0.335 99.5-118.9 -81.2 9.0 78.9 21.1 39.8 40 44 A G <> + 0 0 0 -3,-2.5 4,-2.9 15,-0.1 5,-0.2 0.615 66.1 141.5 68.8 18.4 79.3 23.1 43.1 41 45 A T H > S+ 0 0 41 -4,-0.3 4,-1.1 1,-0.2 5,-0.1 0.939 82.4 36.7 -56.2 -47.5 82.2 25.3 42.1 42 46 A A H > S+ 0 0 9 -5,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.855 113.3 59.9 -73.2 -32.9 80.7 28.3 43.9 43 47 A T H > S+ 0 0 0 -6,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.920 103.4 50.1 -61.4 -44.5 79.3 26.1 46.7 44 48 A L H < S+ 0 0 10 -4,-2.9 4,-0.4 2,-0.2 -1,-0.2 0.842 110.5 49.5 -63.3 -35.9 82.8 24.9 47.6 45 49 A L H >< S+ 0 0 52 -4,-1.1 3,-1.0 -5,-0.2 -2,-0.2 0.881 111.0 50.3 -67.5 -41.5 84.1 28.5 47.8 46 50 A L H >X S+ 0 0 0 -4,-2.4 3,-2.8 1,-0.2 4,-1.9 0.882 99.3 65.9 -60.4 -38.8 81.1 29.4 50.0 47 51 A A T 3< S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.709 90.0 66.6 -60.1 -18.9 82.0 26.4 52.2 48 52 A D T <4 S+ 0 0 83 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.595 117.8 21.9 -76.3 -7.8 85.2 28.2 53.1 49 53 A H T <4 S+ 0 0 80 -3,-2.8 -20,-3.1 1,-0.2 2,-0.3 0.571 125.5 34.2-130.2 -16.2 83.0 30.9 54.9 50 54 A Y S < S- 0 0 7 -4,-1.9 2,-0.9 -22,-0.2 -19,-0.2 -0.855 81.5-101.6-139.5 161.5 79.7 29.2 55.7 51 55 A E E -a 31 0A 127 -21,-2.3 -19,-2.3 -2,-0.3 2,-0.3 -0.854 60.4-168.6 -83.6 107.0 78.1 25.9 56.8 52 56 A V E -a 32 0A 8 -2,-0.9 25,-0.8 23,-0.4 2,-0.4 -0.777 28.2-171.0-114.5 145.2 76.8 25.1 53.2 53 57 A T E -ac 33 77A 28 -21,-2.3 -19,-3.2 -2,-0.3 2,-0.4 -0.995 17.3-150.2-126.8 130.5 74.5 22.6 51.7 54 58 A G E -ac 34 78A 0 23,-2.7 25,-2.5 -2,-0.4 2,-0.4 -0.853 12.0-173.8-104.2 144.0 74.2 22.3 48.0 55 59 A V E +ac 35 79A 1 -21,-2.4 -18,-2.0 -2,-0.4 -19,-1.9 -0.995 12.8 152.4-137.3 135.5 71.1 21.2 46.0 56 60 A D E - c 0 80A 17 23,-1.5 25,-1.4 -2,-0.4 26,-0.1 -0.980 46.8-124.9-152.9 158.9 70.6 20.5 42.3 57 61 A L S S+ 0 0 99 -2,-0.3 2,-0.7 23,-0.2 25,-0.1 0.684 88.6 87.7 -79.2 -13.5 68.3 18.3 40.1 58 62 A S > - 0 0 26 1,-0.2 4,-2.2 23,-0.1 5,-0.2 -0.757 53.4-171.1 -98.1 110.5 71.3 16.7 38.4 59 63 A E H > S+ 0 0 102 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.876 90.0 55.1 -58.7 -38.8 72.8 13.6 40.0 60 64 A E H > S+ 0 0 112 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.882 108.6 45.6 -65.7 -42.1 75.8 13.7 37.6 61 65 A X H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 111.9 52.3 -68.4 -41.4 76.7 17.3 38.5 62 66 A L H X S+ 0 0 8 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.808 103.6 58.8 -66.0 -28.5 76.3 16.5 42.3 63 67 A E H X S+ 0 0 100 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.912 109.3 42.8 -64.2 -43.8 78.7 13.6 41.9 64 68 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.926 112.2 54.9 -67.1 -45.2 81.4 15.9 40.6 65 69 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.941 111.1 45.5 -49.9 -50.7 80.5 18.5 43.3 66 70 A Q H X S+ 0 0 107 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.906 110.2 51.8 -64.0 -45.5 81.0 15.8 45.9 67 71 A E H X S+ 0 0 83 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.917 110.9 48.9 -59.0 -41.1 84.3 14.4 44.5 68 72 A K H X S+ 0 0 35 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.907 111.5 49.8 -64.5 -42.5 85.7 17.9 44.4 69 73 A A H ><>S+ 0 0 2 -4,-2.4 5,-2.5 -5,-0.2 3,-0.8 0.943 112.5 47.1 -61.2 -48.1 84.6 18.6 48.1 70 74 A X H ><5S+ 0 0 137 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.909 108.7 54.3 -62.3 -39.7 86.2 15.3 49.2 71 75 A E H 3<5S+ 0 0 159 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.717 114.3 41.5 -69.4 -16.1 89.5 16.0 47.3 72 76 A T T <<5S- 0 0 72 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.172 113.3-115.3-114.8 18.5 89.8 19.4 49.1 73 77 A N T < 5 + 0 0 156 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.755 64.7 147.2 53.0 33.0 88.7 18.1 52.5 74 78 A R < - 0 0 58 -5,-2.5 2,-0.8 -6,-0.2 -1,-0.2 -0.743 45.8-136.1 -95.8 144.7 85.5 20.2 52.6 75 79 A H + 0 0 148 -2,-0.3 -23,-0.4 -28,-0.2 2,-0.4 -0.884 42.0 148.2-100.2 108.8 82.3 19.1 54.3 76 80 A V - 0 0 14 -2,-0.8 2,-0.4 -10,-0.1 -23,-0.2 -0.933 38.2-142.9-145.2 116.4 79.4 19.9 52.0 77 81 A D E -c 53 0A 61 -25,-0.8 -23,-2.7 -2,-0.4 2,-0.4 -0.687 17.4-167.3 -77.9 124.2 76.2 17.9 51.8 78 82 A F E -c 54 0A 20 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.976 8.7-177.8-112.8 128.0 74.9 17.8 48.2 79 83 A W E -c 55 0A 130 -25,-2.5 -23,-1.5 -2,-0.4 2,-0.7 -0.948 30.1-118.7-128.2 147.3 71.3 16.5 47.7 80 84 A V E +c 56 0A 68 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.786 56.4 137.4 -87.0 112.4 69.2 15.9 44.6 81 85 A Q - 0 0 39 -25,-1.4 2,-0.4 -2,-0.7 -45,-0.2 -0.982 54.8-114.6-155.9 151.7 66.2 18.2 44.8 82 86 A D > - 0 0 23 -2,-0.3 3,-2.1 3,-0.2 -26,-0.1 -0.738 26.7-131.9 -86.7 133.2 64.2 20.5 42.7 83 87 A X G > S+ 0 0 20 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.744 105.3 62.1 -61.4 -26.0 64.4 24.2 43.8 84 88 A R G 3 S+ 0 0 71 1,-0.2 -1,-0.3 33,-0.1 33,-0.1 0.581 113.4 33.2 -75.3 -6.0 60.6 24.5 43.6 85 89 A E G < S+ 0 0 83 -3,-2.1 -1,-0.2 32,-0.1 -3,-0.2 -0.273 80.9 171.0-141.2 50.8 60.2 21.9 46.3 86 90 A L < + 0 0 7 -3,-0.8 2,-0.3 28,-0.1 -3,-0.1 -0.312 4.5 176.6 -62.9 146.2 63.2 22.3 48.6 87 91 A E + 0 0 88 34,-0.0 -2,-0.0 33,-0.0 30,-0.0 -0.804 4.0 168.0-157.0 106.3 63.1 20.4 51.8 88 92 A L - 0 0 26 -2,-0.3 4,-0.1 1,-0.1 -55,-0.0 -0.930 27.6-147.7-119.2 143.5 65.9 20.4 54.3 89 93 A P S S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.869 80.7 61.6 -78.6 -39.2 65.7 19.1 57.8 90 94 A E S S- 0 0 83 1,-0.1 -2,-0.1 0, 0.0 2,-0.0 -0.607 94.2-100.6 -90.3 151.2 68.2 21.5 59.5 91 95 A P - 0 0 79 0, 0.0 2,-0.4 0, 0.0 31,-0.1 -0.314 33.0-155.2 -70.4 148.2 67.5 25.3 59.6 92 96 A V E - d 0 122A 10 29,-0.9 31,-0.5 1,-0.1 -60,-0.2 -0.982 16.9-156.9-126.4 146.5 69.2 27.7 57.2 93 97 A D E S+ 0 0 37 -62,-2.1 34,-2.0 -2,-0.4 2,-0.3 0.623 80.4 14.8 -87.7 -24.7 70.0 31.4 57.6 94 98 A A E -bd 32 127A 0 -63,-1.3 -61,-2.2 32,-0.2 2,-0.4 -0.989 57.8-148.6-153.1 151.4 70.2 32.1 53.9 95 99 A I E -bd 33 128A 0 32,-2.4 34,-2.8 -2,-0.3 2,-0.4 -0.987 16.5-163.4-118.7 129.8 69.4 30.6 50.5 96 100 A T E -bd 34 129A 0 -63,-2.7 -61,-2.7 -2,-0.4 2,-0.4 -0.954 13.4-179.0-115.7 137.3 71.6 31.4 47.5 97 101 A I E - d 0 130A 0 32,-2.3 34,-1.3 -2,-0.4 5,-0.3 -0.821 29.8-176.0-133.9 91.3 70.5 30.8 43.9 98 102 A L > + 0 0 9 -2,-0.4 3,-1.1 -63,-0.4 -56,-0.0 -0.439 41.3 21.2-103.8 161.0 73.5 31.9 41.9 99 103 A C T 3 S- 0 0 22 1,-0.3 -1,-0.2 -2,-0.1 33,-0.1 0.886 123.4 -57.9 57.1 52.0 74.8 32.4 38.4 100 104 A D T > S+ 0 0 20 31,-1.0 3,-0.9 -3,-0.3 4,-0.3 0.635 95.2 137.8 55.9 21.0 71.4 32.7 36.7 101 105 A S G X + 0 0 13 -3,-1.1 3,-1.5 1,-0.3 4,-0.2 0.844 66.9 61.3 -60.5 -33.9 70.3 29.3 37.9 102 106 A L G > S+ 0 0 1 29,-0.5 3,-1.6 -5,-0.3 -1,-0.3 0.822 91.2 69.5 -63.9 -29.1 66.9 30.8 38.7 103 107 A N G < S+ 0 0 0 -3,-0.9 91,-2.4 28,-0.3 -1,-0.3 0.607 79.7 74.7 -67.2 -10.0 66.5 31.6 35.0 104 108 A Y G < S+ 0 0 106 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.685 72.5 105.7 -74.8 -15.2 66.2 27.9 34.1 105 109 A L < - 0 0 17 -3,-1.6 89,-0.3 -4,-0.2 3,-0.0 -0.356 60.6-156.1 -62.7 147.0 62.6 28.0 35.5 106 110 A Q + 0 0 120 87,-0.1 2,-0.3 62,-0.0 -1,-0.1 0.731 60.5 36.6-103.3 -24.8 60.1 27.9 32.8 107 111 A T S > S- 0 0 56 1,-0.1 4,-1.1 87,-0.1 5,-0.1 -0.773 74.6-115.2-127.7 167.3 56.9 29.4 34.1 108 112 A E H > S+ 0 0 85 -2,-0.3 4,-2.1 2,-0.2 3,-0.4 0.913 117.7 56.8 -63.6 -41.4 55.7 32.2 36.4 109 113 A A H > S+ 0 0 23 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.878 101.4 56.0 -57.6 -42.8 54.3 29.5 38.6 110 114 A D H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.853 107.5 48.6 -57.3 -42.2 57.7 27.8 39.0 111 115 A V H X S+ 0 0 2 -4,-1.1 4,-2.6 -3,-0.4 -2,-0.2 0.921 112.0 48.0 -66.2 -42.7 59.2 31.0 40.2 112 116 A K H X S+ 0 0 50 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.928 112.2 50.7 -65.5 -38.9 56.4 31.5 42.8 113 117 A Q H X S+ 0 0 21 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.907 110.3 49.9 -63.4 -43.7 56.8 27.9 43.9 114 118 A T H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.934 112.2 46.5 -60.2 -46.7 60.5 28.4 44.3 115 119 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.895 112.0 50.2 -64.7 -42.8 60.0 31.6 46.4 116 120 A D H X S+ 0 0 24 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.878 110.9 50.3 -59.1 -41.1 57.4 29.9 48.6 117 121 A S H X S+ 0 0 1 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.911 110.4 49.7 -63.5 -42.0 59.7 27.0 49.2 118 122 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.4 0.930 109.8 51.4 -61.9 -45.3 62.5 29.4 50.1 119 123 A A H < S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 107.2 52.8 -63.4 -35.7 60.2 31.2 52.6 120 124 A R H < S+ 0 0 57 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.821 110.2 48.4 -68.9 -32.2 59.3 27.9 54.2 121 125 A L H < S+ 0 0 26 -4,-1.5 -29,-0.9 -3,-0.4 2,-0.3 0.660 105.1 66.6 -81.2 -22.8 62.9 27.0 54.8 122 126 A L E < -d 92 0A 2 -4,-1.3 2,-0.2 -5,-0.1 -29,-0.1 -0.718 69.0-148.7 -98.2 151.9 64.0 30.3 56.3 123 127 A T E > - 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