==== 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/DNA 07-FEB-07 2JG3 . COMPND 2 MOLECULE: MODIFICATION METHYLASE TAQI; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR G.PLJEVALJCIC,A.J.SCHEIDIG,E.WEINHOLD . 782 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 527 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 15.0 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 . 4 0.5 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 . 2 0.3 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 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 4 1 1 1 2 1 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 3 5 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 . 2 4 6 2 2 0 4 1 1 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 . 6 2 2 0 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 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 23 A T 0 0 65 0, 0.0 5,-0.1 0, 0.0 173,-0.1 0.000 360.0 360.0 360.0 135.7 -12.9 -12.2 21.8 2 24 A P >> - 0 0 21 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.311 360.0-121.5 -60.2 141.4 -11.0 -15.2 23.3 3 25 A P H 3> S+ 0 0 85 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.830 110.8 54.3 -57.7 -37.0 -11.9 -15.7 27.0 4 26 A E H 3> S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 201,-0.5 0.808 108.4 50.6 -65.6 -31.8 -8.3 -15.3 28.2 5 27 A V H <> S+ 0 0 1 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.910 111.8 47.3 -71.8 -43.2 -8.1 -12.0 26.4 6 28 A V H X S+ 0 0 9 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.933 111.9 50.2 -59.0 -50.4 -11.3 -10.8 28.1 7 29 A D H X S+ 0 0 104 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.922 110.5 49.5 -56.7 -46.0 -10.2 -12.0 31.5 8 30 A F H X S+ 0 0 7 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.944 113.1 46.2 -57.2 -49.1 -6.9 -10.1 31.1 9 31 A M H >X S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 4,-0.7 0.907 111.0 52.4 -60.2 -41.3 -8.6 -6.9 30.1 10 32 A V H >< S+ 0 0 7 -4,-3.0 3,-0.9 1,-0.3 -1,-0.2 0.880 103.1 58.6 -65.2 -36.1 -11.1 -7.2 32.9 11 33 A S H 3< S+ 0 0 84 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.693 107.8 47.9 -61.5 -22.2 -8.2 -7.6 35.4 12 34 A L H << S+ 0 0 21 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.591 95.9 98.3 -92.8 -13.4 -7.0 -4.2 34.1 13 35 A A << + 0 0 4 -3,-0.9 2,-0.3 -4,-0.7 66,-0.1 -0.488 45.3 175.2 -86.2 145.7 -10.4 -2.5 34.5 14 36 A E + 0 0 121 -2,-0.2 123,-0.2 64,-0.1 -3,-0.0 -0.992 5.0 170.2-143.2 144.2 -11.7 -0.3 37.4 15 37 A A - 0 0 18 -2,-0.3 3,-0.1 121,-0.1 6,-0.1 -0.976 35.2-109.0-147.7 148.0 -14.8 1.7 38.1 16 38 A P > - 0 0 73 0, 0.0 3,-2.4 0, 0.0 2,-0.1 -0.370 55.4 -80.0 -63.5 153.5 -16.2 3.4 41.2 17 39 A R T 3 S+ 0 0 216 1,-0.3 26,-0.2 26,-0.1 25,-0.0 -0.397 124.0 16.5 -52.8 125.1 -19.2 1.9 43.0 18 40 A G T 3 S+ 0 0 51 24,-3.0 -1,-0.3 1,-0.2 25,-0.2 0.468 96.7 151.7 85.0 6.0 -22.3 3.0 40.9 19 41 A G < - 0 0 4 -3,-2.4 25,-2.4 23,-0.4 2,-0.6 -0.225 53.1-106.0 -72.0 153.8 -20.1 3.9 38.0 20 42 A R E -a 44 0A 37 23,-0.2 59,-2.3 56,-0.1 58,-1.7 -0.738 35.8-167.9 -84.8 119.4 -21.2 3.9 34.4 21 43 A V E -ab 45 79A 0 23,-2.5 25,-2.7 -2,-0.6 2,-0.4 -0.948 5.6-168.9-111.4 122.8 -19.7 0.9 32.6 22 44 A L E -ab 46 80A 0 57,-3.1 59,-2.6 -2,-0.5 25,-0.2 -0.939 17.4-168.4-118.4 133.3 -19.9 0.8 28.7 23 45 A E E > -a 47 0A 5 23,-2.3 25,-2.2 -2,-0.4 3,-0.5 -0.950 18.3-156.5-111.6 107.4 -19.2 -1.9 26.1 24 46 A P E 3 S+a 48 0A 2 0, 0.0 59,-0.4 0, 0.0 25,-0.2 -0.531 80.0 16.6 -76.0 152.3 -19.3 -0.5 22.5 25 47 A A T 3 S+ 0 0 35 23,-1.2 24,-0.2 -2,-0.2 58,-0.2 0.924 88.0 163.5 51.8 51.5 -20.0 -2.9 19.6 26 48 A C X + 0 0 1 22,-1.7 3,-3.0 -3,-0.5 5,-0.2 0.709 14.4 174.9 -81.1 -27.2 -21.3 -5.2 22.4 27 49 A A T 3 S- 0 0 30 1,-0.3 29,-1.7 21,-0.2 -1,-0.2 -0.392 85.6 -5.5 50.0-115.8 -23.3 -7.8 20.5 28 50 A H T 3 S- 0 0 94 27,-0.2 -1,-0.3 -2,-0.2 27,-0.1 0.412 105.7-112.5 -82.3 -1.0 -24.3 -10.2 23.4 29 51 A G <> + 0 0 0 -3,-3.0 4,-2.1 28,-0.1 5,-0.2 0.914 49.2 168.3 76.4 49.4 -22.0 -8.3 25.9 30 52 A P H > S+ 0 0 31 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.846 79.9 48.7 -61.1 -36.0 -19.1 -10.6 26.8 31 53 A F H > S+ 0 0 1 2,-0.2 4,-2.4 -5,-0.2 5,-0.2 0.900 110.0 49.8 -71.2 -42.8 -17.2 -7.8 28.5 32 54 A L H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.921 112.9 48.9 -55.7 -44.4 -20.1 -6.5 30.6 33 55 A R H X S+ 0 0 91 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.907 113.0 45.3 -63.6 -47.7 -20.8 -10.1 31.7 34 56 A A H X S+ 0 0 19 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.866 113.4 50.3 -66.7 -39.8 -17.1 -10.8 32.7 35 57 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.942 112.0 47.1 -65.5 -46.4 -16.8 -7.5 34.5 36 58 A R H X S+ 0 0 69 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.918 111.5 51.8 -60.3 -43.8 -20.0 -8.1 36.5 37 59 A E H < S+ 0 0 171 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.873 117.9 38.2 -55.5 -41.5 -18.8 -11.6 37.3 38 60 A A H < S+ 0 0 64 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.838 131.2 23.5 -82.8 -34.8 -15.5 -10.3 38.6 39 61 A H H < S- 0 0 76 -4,-2.8 3,-0.2 1,-0.3 -3,-0.2 0.463 103.4-115.7-117.9 -3.9 -16.6 -7.0 40.3 40 62 A G < - 0 0 29 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.397 33.7 -68.7 95.6-171.9 -20.3 -7.4 41.2 41 63 A T S S+ 0 0 93 1,-0.1 2,-2.3 -2,-0.1 4,-0.1 0.526 89.4 103.1-106.2 -10.7 -23.5 -5.7 40.3 42 64 A A + 0 0 30 -3,-0.2 -24,-3.0 -6,-0.1 -23,-0.4 -0.388 66.0 88.8 -80.3 63.7 -23.3 -2.2 41.8 43 65 A Y S S- 0 0 45 -2,-2.3 2,-0.8 -25,-0.2 -23,-0.2 -0.948 82.1-111.9-146.4 159.2 -22.6 -0.5 38.4 44 66 A R E -a 20 0A 150 -25,-2.4 -23,-2.5 -2,-0.3 2,-0.5 -0.875 38.6-155.3 -94.5 102.3 -24.8 1.0 35.6 45 67 A F E +a 21 0A 7 -2,-0.8 17,-2.7 15,-0.5 2,-0.4 -0.720 16.9 175.5 -89.4 124.7 -24.1 -1.4 32.7 46 68 A V E -ac 22 62A 1 -25,-2.7 -23,-2.3 -2,-0.5 2,-0.4 -0.986 10.3-170.9-129.4 137.0 -24.6 -0.1 29.1 47 69 A G E -ac 23 63A 0 15,-2.9 17,-1.9 -2,-0.4 2,-0.4 -0.985 7.0-158.0-126.6 135.6 -24.0 -1.8 25.8 48 70 A V E +ac 24 64A 0 -25,-2.2 -22,-1.7 -2,-0.4 -23,-1.2 -0.970 18.5 167.1-117.2 130.3 -24.1 -0.1 22.4 49 71 A E E - c 0 65A 19 15,-2.6 17,-1.3 -2,-0.4 6,-0.1 -0.999 29.7-157.3-146.8 134.6 -24.6 -2.1 19.2 50 72 A I S S+ 0 0 108 -2,-0.3 17,-0.1 15,-0.2 -1,-0.1 0.745 77.5 72.7 -82.7 -27.4 -25.5 -1.2 15.5 51 73 A D >> - 0 0 59 1,-0.1 4,-1.6 15,-0.1 3,-1.2 -0.833 62.7-157.5 -99.4 117.0 -27.0 -4.6 14.4 52 74 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.832 97.2 56.7 -56.5 -35.7 -30.5 -5.5 15.8 53 75 A K T 34 S+ 0 0 193 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.706 110.7 44.6 -66.2 -23.9 -29.7 -9.2 15.1 54 76 A A T <4 S+ 0 0 29 -3,-1.2 2,-0.5 -27,-0.0 -1,-0.2 0.764 84.4 96.9 -95.1 -31.4 -26.6 -9.0 17.3 55 77 A L < + 0 0 40 -4,-1.6 -27,-0.2 1,-0.1 8,-0.1 -0.494 38.1 147.2 -70.5 115.2 -27.8 -7.0 20.4 56 78 A D + 0 0 116 -29,-1.7 -1,-0.1 -2,-0.5 -3,-0.0 -0.494 16.2 163.1-150.2 68.5 -28.6 -9.6 23.1 57 79 A L - 0 0 31 1,-0.1 -28,-0.1 4,-0.1 6,-0.1 -0.594 42.3-104.0 -90.1 153.7 -27.9 -8.3 26.6 58 80 A P > - 0 0 16 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.331 40.6-104.3 -66.9 158.0 -29.1 -9.6 29.9 59 81 A P T 3 S+ 0 0 136 0, 0.0 4,-0.0 0, 0.0 -2,-0.0 0.630 117.3 69.1 -69.2 -9.8 -31.9 -7.6 31.5 60 82 A W T 3 S+ 0 0 80 2,-0.0 -15,-0.5 -16,-0.0 2,-0.3 0.593 96.6 66.0 -77.3 -12.2 -29.5 -6.1 34.1 61 83 A A S < S- 0 0 14 -3,-2.1 2,-0.5 -17,-0.1 -15,-0.2 -0.830 82.5-125.8-106.9 151.7 -27.8 -4.1 31.2 62 84 A E E -c 46 0A 96 -17,-2.7 -15,-2.9 -2,-0.3 2,-0.4 -0.851 23.5-154.9 -93.5 124.8 -29.2 -1.4 29.0 63 85 A G E -c 47 0A 36 -2,-0.5 2,-0.4 -17,-0.2 -15,-0.2 -0.827 8.5-170.1-101.0 136.1 -29.0 -2.0 25.2 64 86 A I E -c 48 0A 34 -17,-1.9 -15,-2.6 -2,-0.4 2,-0.8 -0.998 16.9-143.4-125.8 128.1 -28.9 0.8 22.8 65 87 A L E +c 49 0A 104 -2,-0.4 2,-0.3 -17,-0.2 -15,-0.2 -0.840 53.5 116.3 -90.3 109.1 -29.2 0.3 19.0 66 88 A A S S- 0 0 22 -17,-1.3 2,-0.8 -2,-0.8 -15,-0.1 -0.983 75.2 -96.2-165.9 152.7 -26.8 2.9 17.4 67 89 A D >> - 0 0 34 -2,-0.3 3,-1.7 1,-0.2 4,-0.6 -0.791 39.2-147.6 -72.5 112.4 -23.7 3.5 15.4 68 90 A F G >4 S+ 0 0 6 -2,-0.8 3,-0.8 1,-0.3 -1,-0.2 0.842 93.1 62.0 -53.4 -36.5 -21.3 4.0 18.3 69 91 A L G 34 S+ 0 0 2 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.638 115.6 30.0 -67.6 -17.6 -19.2 6.4 16.3 70 92 A L G <4 S+ 0 0 66 -3,-1.7 2,-0.3 2,-0.0 -1,-0.2 0.250 90.8 123.5-123.7 8.4 -22.2 8.9 15.9 71 93 A W << - 0 0 32 -3,-0.8 -5,-0.0 -4,-0.6 -3,-0.0 -0.541 42.4-164.1 -75.1 129.2 -23.9 8.1 19.2 72 94 A E - 0 0 151 -2,-0.3 -1,-0.0 59,-0.0 -3,-0.0 -0.820 11.0-168.4-118.9 92.1 -24.5 11.1 21.5 73 95 A P - 0 0 27 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.297 28.3-121.8 -74.0 161.9 -25.3 9.9 25.1 74 96 A G S S+ 0 0 92 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.859 90.6 26.7 -69.6 -37.9 -26.6 12.2 27.8 75 97 A E S S- 0 0 105 1,-0.0 -1,-0.1 58,-0.0 2,-0.1 -0.867 80.3-109.7-130.3 156.8 -23.8 11.5 30.3 76 98 A A - 0 0 32 -2,-0.3 2,-0.3 1,-0.1 56,-0.2 -0.245 33.5-116.0 -81.3 172.3 -20.1 10.4 30.3 77 99 A F E - d 0 132A 1 54,-3.1 56,-2.5 51,-0.2 3,-0.1 -0.828 10.8-155.5-120.0 148.6 -18.7 7.0 31.4 78 100 A D E S+ 0 0 25 -58,-1.7 59,-2.7 -2,-0.3 2,-0.4 0.800 89.3 22.2 -85.5 -34.7 -16.4 5.8 34.1 79 101 A L E -bd 21 137A 0 -59,-2.3 -57,-3.1 57,-0.2 2,-0.4 -0.992 59.4-179.2-140.7 129.4 -15.3 2.7 32.3 80 102 A I E +bd 22 138A 0 57,-2.1 59,-2.1 -2,-0.4 2,-0.3 -0.997 19.8 165.6-125.6 121.4 -15.4 1.8 28.6 81 103 A L E + d 0 139A 0 -59,-2.6 2,-0.3 -2,-0.4 59,-0.2 -0.975 14.7 67.5-137.6 153.0 -14.2 -1.7 27.6 82 104 A G E S- d 0 140A 0 57,-2.0 59,-1.6 -2,-0.3 -57,-0.1 -0.974 71.2 -51.0 149.1-155.9 -14.2 -4.1 24.7 83 105 A N - 0 0 33 -59,-0.4 59,-0.1 -2,-0.3 3,-0.1 -0.891 46.6-154.0-127.6 92.7 -13.2 -5.1 21.3 84 106 A P - 0 0 4 0, 0.0 37,-0.1 0, 0.0 2,-0.1 -0.261 30.9 -94.8 -61.1 159.8 -13.8 -2.4 18.6 85 107 A P - 0 0 46 0, 0.0 2,-0.4 0, 0.0 39,-0.2 -0.442 38.3-143.9 -66.6 144.4 -14.4 -3.4 15.0 86 108 A Y + 0 0 63 34,-0.1 2,-0.2 -2,-0.1 33,-0.0 -0.965 43.8 100.3-111.8 136.9 -11.2 -3.3 12.8 87 109 A G - 0 0 8 -2,-0.4 33,-3.2 2,-0.0 2,-0.4 -0.618 62.4-103.9 155.3 140.6 -11.2 -2.2 9.2 88 110 A I - 0 0 42 31,-0.2 9,-1.8 -2,-0.2 2,-0.6 -0.683 36.8-127.4 -76.0 130.8 -10.6 0.6 6.7 89 111 A V B +i 97 0B 6 28,-0.5 2,-0.3 -2,-0.4 9,-0.2 -0.750 60.7 101.7 -80.9 116.5 -13.8 2.3 5.3 90 112 A G S S- 0 0 21 7,-2.2 5,-0.1 -2,-0.6 9,-0.1 -0.977 70.8 -27.7-175.8-178.5 -13.7 2.2 1.5 91 113 A E >> - 0 0 147 -2,-0.3 4,-3.0 1,-0.1 3,-1.9 -0.213 56.1-123.9 -51.5 133.5 -14.9 0.6 -1.8 92 114 A A T 34 S+ 0 0 72 1,-0.3 -1,-0.1 2,-0.2 6,-0.1 0.681 105.8 67.0 -54.3 -27.9 -15.9 -3.1 -1.4 93 115 A S T 34 S+ 0 0 94 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.786 123.5 11.2 -65.8 -24.7 -13.5 -4.2 -4.1 94 116 A K T <4 S+ 0 0 161 -3,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.667 124.4 49.1-126.5 -27.5 -10.5 -3.2 -1.9 95 117 A Y < - 0 0 70 -4,-3.0 -1,-0.2 -5,-0.1 -6,-0.1 -0.870 63.9-137.5-129.2 150.7 -11.7 -2.5 1.6 96 118 A P S S+ 0 0 79 0, 0.0 2,-0.6 0, 0.0 -7,-0.2 0.666 80.1 74.0 -84.5 -19.1 -13.9 -4.3 4.1 97 119 A I B -i 89 0B 43 -9,-1.8 -7,-2.2 -6,-0.1 2,-0.6 -0.880 61.7-167.7-107.1 122.7 -16.1 -1.5 5.6 98 120 A H + 0 0 111 -2,-0.6 2,-0.3 -9,-0.2 -7,-0.1 -0.918 19.1 148.5-121.1 109.9 -18.8 -0.2 3.4 99 121 A V - 0 0 55 -2,-0.6 -2,-0.0 -9,-0.1 5,-0.0 -0.951 51.7 -86.4-134.8 156.9 -20.7 3.0 4.2 100 122 A F >> - 0 0 172 -2,-0.3 4,-2.1 1,-0.1 3,-0.8 -0.301 40.5-116.6 -54.5 143.3 -22.4 5.8 2.2 101 123 A K H 3> S+ 0 0 158 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 117.2 58.4 -46.1 -44.6 -20.0 8.6 1.3 102 124 A A H 3> S+ 0 0 66 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.826 105.0 48.3 -59.2 -36.8 -22.2 10.9 3.5 103 125 A V H <> S+ 0 0 36 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.912 108.7 52.7 -69.3 -45.2 -21.6 8.7 6.6 104 126 A K H X S+ 0 0 50 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.922 107.1 54.1 -57.5 -40.4 -17.9 8.6 6.0 105 127 A D H X S+ 0 0 63 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.892 106.1 52.3 -55.7 -41.2 -18.0 12.5 5.8 106 128 A L H X S+ 0 0 87 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.864 108.1 51.2 -64.1 -39.4 -19.8 12.5 9.2 107 129 A Y H X S+ 0 0 13 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.940 111.1 47.6 -59.5 -48.7 -16.9 10.3 10.7 108 130 A K H < S+ 0 0 98 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 112.6 49.1 -62.6 -39.9 -14.3 12.7 9.4 109 131 A K H < S+ 0 0 182 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.917 114.8 46.4 -61.7 -42.0 -16.2 15.6 10.8 110 132 A A H < S+ 0 0 46 -4,-2.3 2,-0.6 -5,-0.1 -2,-0.2 0.791 105.3 64.3 -71.9 -30.5 -16.5 13.8 14.1 111 133 A F >< - 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