==== 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 26-OCT-06 2NP6 . COMPND 2 MOLECULE: MODIFICATION METHYLASE TAQI; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR T.LENZ,A.J.SCHEIDIG,E.WEINHOLD . 787 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 530 67.3 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 14.9 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 . 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 . 76 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 0 2 0 3 1 8 4 0 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 20 A R 0 0 37 0, 0.0 3,-0.1 0, 0.0 176,-0.0 0.000 360.0 360.0 360.0 26.8 10.1 -11.0 40.7 2 21 A V + 0 0 136 1,-0.1 2,-0.4 86,-0.1 84,-0.1 -0.013 360.0 47.4-110.5 -5.7 13.7 -10.4 40.8 3 22 A E S S- 0 0 143 30,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.997 83.3-145.3-126.3 139.0 13.0 -12.4 37.7 4 23 A T - 0 0 22 -2,-0.4 173,-0.1 -3,-0.1 82,-0.0 -0.836 31.9-107.7 -96.9 131.4 10.2 -11.8 35.1 5 24 A P >> - 0 0 21 0, 0.0 4,-2.2 0, 0.0 3,-1.4 -0.370 30.2-116.6 -56.4 137.9 8.6 -14.9 33.5 6 25 A P H 3> S+ 0 0 84 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.820 114.6 53.9 -47.4 -39.7 9.7 -15.3 29.9 7 26 A E H 3> S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 201,-0.5 0.790 108.2 49.1 -71.6 -28.2 6.1 -14.8 28.6 8 27 A V H <> S+ 0 0 1 -3,-1.4 4,-2.6 2,-0.2 5,-0.2 0.947 112.3 48.3 -69.1 -51.9 5.8 -11.5 30.5 9 28 A V H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.939 114.3 46.8 -47.3 -54.0 9.2 -10.4 29.0 10 29 A D H X S+ 0 0 99 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.861 110.0 52.5 -59.9 -43.1 8.0 -11.4 25.5 11 30 A F H X S+ 0 0 6 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.943 112.2 46.1 -56.7 -49.8 4.6 -9.7 25.9 12 31 A M H >X S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 4,-0.8 0.877 109.4 53.6 -61.4 -42.0 6.4 -6.5 26.9 13 32 A V H >< S+ 0 0 7 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.891 102.7 59.0 -61.3 -38.9 8.8 -6.8 24.0 14 33 A S H 3< S+ 0 0 85 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.677 108.7 45.3 -62.4 -19.2 5.8 -7.1 21.7 15 34 A L H << S+ 0 0 21 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.593 95.7 100.5 -95.9 -15.2 4.7 -3.7 22.9 16 35 A A << - 0 0 4 -4,-0.8 2,-0.3 -3,-0.8 66,-0.1 -0.489 48.2-177.3 -81.3 140.4 8.1 -2.1 22.6 17 36 A E + 0 0 121 -2,-0.2 123,-0.3 64,-0.1 -3,-0.0 -0.996 6.9 167.6-135.6 142.1 9.2 0.1 19.8 18 37 A A - 0 0 20 -2,-0.3 2,-0.1 121,-0.1 3,-0.1 -0.986 31.9-117.3-149.5 142.8 12.5 1.8 18.9 19 38 A P > - 0 0 71 0, 0.0 3,-2.3 0, 0.0 62,-0.1 -0.405 52.8 -76.8 -71.5 159.1 13.8 3.6 15.8 20 39 A R T 3 S+ 0 0 201 1,-0.3 26,-0.2 -2,-0.1 3,-0.1 -0.331 121.8 9.6 -57.6 131.6 16.9 2.2 14.0 21 40 A G T 3 S+ 0 0 48 24,-3.6 -1,-0.3 1,-0.2 25,-0.3 0.414 100.8 152.3 75.8 -0.5 20.1 3.1 15.9 22 41 A G < - 0 0 5 -3,-2.3 25,-2.5 23,-0.4 2,-0.5 -0.138 51.9-102.0 -67.3 156.0 17.8 4.2 18.7 23 42 A R E -a 47 0A 33 23,-0.2 59,-2.1 56,-0.1 58,-1.5 -0.689 36.7-171.2 -86.9 121.7 18.8 4.2 22.4 24 43 A V E -ab 48 82A 0 23,-3.1 25,-3.0 -2,-0.5 2,-0.4 -0.955 4.8-168.2-117.8 123.7 17.3 1.3 24.5 25 44 A L E -ab 49 83A 0 57,-2.5 59,-2.6 -2,-0.5 25,-0.2 -0.895 17.7-168.1-118.5 138.0 17.6 1.2 28.3 26 45 A E E > -a 50 0A 5 23,-2.4 25,-2.0 -2,-0.4 3,-0.6 -0.955 16.6-157.5-115.4 110.2 17.0 -1.4 31.0 27 46 A P E 3 S+a 51 0A 1 0, 0.0 59,-0.4 0, 0.0 25,-0.2 -0.558 81.5 15.1 -76.0 150.5 17.0 0.1 34.5 28 47 A A T 3 S+ 0 0 34 23,-1.2 24,-0.2 -2,-0.2 58,-0.2 0.891 87.8 157.7 51.2 46.1 17.7 -2.4 37.4 29 48 A C X + 0 0 3 22,-1.4 3,-2.7 -3,-0.6 2,-0.3 0.781 15.8 174.3 -73.9 -33.1 19.0 -4.7 34.6 30 49 A A T 3 S- 0 0 25 1,-0.3 29,-1.7 21,-0.1 -1,-0.2 -0.478 87.5 -2.7 48.6-111.8 21.3 -7.2 36.4 31 50 A H T 3 S- 0 0 71 -2,-0.3 -1,-0.3 27,-0.2 -2,-0.1 0.526 105.1-120.8 -80.5 -6.9 22.0 -9.6 33.5 32 51 A G <> + 0 0 0 -3,-2.7 4,-2.0 28,-0.1 5,-0.2 0.931 44.0 170.1 74.2 55.5 19.7 -7.6 31.2 33 52 A P H > S+ 0 0 37 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.773 79.0 53.7 -71.2 -23.0 17.0 -10.1 30.1 34 53 A F H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.875 109.6 46.7 -74.8 -40.6 14.8 -7.3 28.5 35 54 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 114.3 49.3 -62.6 -41.9 17.8 -6.0 26.4 36 55 A R H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.923 112.8 46.1 -63.6 -47.7 18.5 -9.6 25.4 37 56 A A H X S+ 0 0 18 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.853 112.4 50.1 -64.1 -39.5 14.9 -10.3 24.4 38 57 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.894 111.8 48.6 -67.3 -41.6 14.5 -7.0 22.5 39 58 A R H X S+ 0 0 61 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.901 110.4 50.3 -63.1 -46.0 17.7 -7.7 20.5 40 59 A E H < S+ 0 0 166 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.869 119.7 39.0 -55.6 -38.6 16.6 -11.3 19.7 41 60 A A H < S+ 0 0 64 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.822 131.4 20.5 -85.5 -36.0 13.3 -9.9 18.5 42 61 A H H < S- 0 0 78 -4,-2.8 3,-0.2 1,-0.3 -3,-0.2 0.401 104.0-115.2-120.2 -1.8 14.3 -6.7 16.7 43 62 A G < - 0 0 27 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.1 -0.421 33.1 -68.8 95.2-169.0 18.0 -7.0 15.8 44 63 A T S S+ 0 0 87 -2,-0.1 2,-2.3 1,-0.1 -1,-0.1 0.537 89.5 102.4-108.2 -12.4 21.3 -5.3 16.8 45 64 A A + 0 0 38 -3,-0.2 -24,-3.6 -6,-0.1 -23,-0.4 -0.403 66.3 86.4 -81.5 66.8 21.1 -1.8 15.2 46 65 A Y S S- 0 0 38 -2,-2.3 2,-0.7 -25,-0.3 -23,-0.2 -0.941 83.8-108.1-147.8 162.9 20.3 -0.0 18.5 47 66 A R E -a 23 0A 120 -25,-2.5 -23,-3.1 -2,-0.3 2,-0.5 -0.894 38.7-156.2 -97.7 108.3 22.3 1.4 21.3 48 67 A F E -a 24 0A 5 -2,-0.7 17,-2.6 15,-0.4 2,-0.4 -0.768 14.3-180.0 -94.7 125.6 21.7 -0.9 24.3 49 68 A V E -ac 25 65A 1 -25,-3.0 -23,-2.4 -2,-0.5 2,-0.4 -0.972 10.1-169.1-129.6 135.0 22.2 0.4 27.8 50 69 A G E -ac 26 66A 0 15,-3.1 17,-2.9 -2,-0.4 2,-0.5 -0.976 4.6-162.2-127.6 122.0 21.9 -1.3 31.3 51 70 A V E +ac 27 67A 1 -25,-2.0 -22,-1.4 -2,-0.4 -23,-1.2 -0.901 18.5 166.7-103.5 122.3 21.9 0.5 34.7 52 71 A E E - c 0 68A 20 15,-2.6 17,-1.2 -2,-0.5 -2,-0.0 -0.995 28.5-158.8-136.7 139.3 22.5 -1.7 37.7 53 72 A I S S+ 0 0 110 -2,-0.4 17,-0.1 15,-0.2 -1,-0.1 0.781 79.3 64.5 -85.7 -29.3 23.4 -0.7 41.4 54 73 A D >> - 0 0 63 1,-0.1 3,-1.8 15,-0.1 4,-1.8 -0.879 63.8-157.7-108.2 113.2 24.9 -3.9 42.5 55 74 A P T 34 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.679 96.0 62.2 -63.0 -21.1 28.2 -5.1 40.8 56 75 A K T 34 S+ 0 0 192 1,-0.1 -2,-0.0 -3,-0.0 -3,-0.0 0.739 110.6 40.6 -67.8 -27.5 27.4 -8.7 41.9 57 76 A A T <4 S+ 0 0 31 -3,-1.8 2,-0.2 -27,-0.1 -1,-0.1 0.793 88.5 98.7 -92.0 -35.9 24.3 -8.4 39.7 58 77 A L < + 0 0 17 -4,-1.8 -27,-0.2 1,-0.1 541,-0.1 -0.410 37.3 144.4 -63.2 121.8 25.6 -6.6 36.6 59 78 A D + 0 0 48 -29,-1.7 -1,-0.1 -2,-0.2 -3,-0.0 -0.424 17.1 163.2-162.0 65.8 26.3 -9.1 33.9 60 79 A L - 0 0 4 538,-0.1 -28,-0.1 1,-0.1 6,-0.1 -0.576 43.4-100.2 -91.1 155.0 25.5 -7.8 30.4 61 80 A P > - 0 0 2 0, 0.0 3,-1.9 0, 0.0 538,-0.2 -0.319 41.2-106.0 -63.3 157.5 26.7 -9.2 27.0 62 81 A P T 3 S+ 0 0 88 0, 0.0 537,-0.1 0, 0.0 4,-0.1 0.689 117.2 66.9 -66.4 -14.9 29.6 -7.3 25.5 63 82 A W T 3 S+ 0 0 60 2,-0.1 -15,-0.4 -16,-0.0 2,-0.3 0.595 95.7 69.1 -77.6 -11.7 27.3 -5.7 22.9 64 83 A A S < S- 0 0 14 -3,-1.9 2,-0.6 -17,-0.1 -15,-0.2 -0.779 83.2-123.1-108.4 154.1 25.5 -3.8 25.7 65 84 A E E -c 49 0A 80 -17,-2.6 -15,-3.1 -2,-0.3 2,-0.4 -0.864 24.3-154.4-102.3 117.1 26.8 -0.9 27.8 66 85 A G E -c 50 0A 38 -2,-0.6 2,-0.5 -17,-0.2 -15,-0.2 -0.768 8.1-168.7 -97.3 133.5 26.7 -1.5 31.6 67 86 A I E -c 51 0A 36 -17,-2.9 -15,-2.6 -2,-0.4 2,-1.0 -0.981 14.9-146.8-126.8 119.4 26.5 1.3 34.1 68 87 A L E +c 52 0A 99 -2,-0.5 2,-0.3 -17,-0.2 -15,-0.2 -0.759 55.4 104.2 -87.2 100.2 27.0 0.9 37.8 69 88 A A S S- 0 0 27 -17,-1.2 2,-0.8 -2,-1.0 -15,-0.1 -0.977 78.7 -86.3-161.9 166.8 24.8 3.5 39.4 70 89 A D >> - 0 0 31 -2,-0.3 3,-1.2 1,-0.2 4,-1.0 -0.830 36.5-149.3 -80.9 113.5 21.5 4.2 41.3 71 90 A F T 34 S+ 0 0 5 -2,-0.8 3,-0.5 1,-0.3 -1,-0.2 0.860 95.2 56.7 -51.5 -39.6 19.1 4.6 38.4 72 91 A L T 34 S+ 0 0 3 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.707 116.8 32.6 -70.9 -23.9 17.1 7.1 40.5 73 92 A L T <4 S+ 0 0 71 -3,-1.2 -1,-0.2 2,-0.0 2,-0.2 0.368 94.8 118.7-109.1 1.9 20.0 9.5 41.0 74 93 A W < - 0 0 34 -4,-1.0 -5,-0.0 -3,-0.5 -3,-0.0 -0.482 47.6-160.1 -78.6 133.8 21.7 8.8 37.7 75 94 A E - 0 0 148 -2,-0.2 -1,-0.1 59,-0.0 -3,-0.0 -0.805 12.0-160.1-117.9 90.0 22.2 11.6 35.2 76 95 A P - 0 0 21 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.229 22.8-127.1 -64.3 153.8 22.7 10.2 31.6 77 96 A G S S+ 0 0 92 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.901 92.2 22.0 -64.7 -41.7 24.3 12.4 28.9 78 97 A E S S- 0 0 99 1,-0.0 -1,-0.2 56,-0.0 58,-0.0 -0.935 82.4-111.2-134.0 148.6 21.4 11.8 26.5 79 98 A A - 0 0 32 -2,-0.3 2,-0.3 1,-0.1 56,-0.2 -0.189 37.2-115.5 -71.8 168.6 17.7 10.8 26.8 80 99 A F E - d 0 135A 0 54,-3.4 56,-2.2 51,-0.2 -56,-0.1 -0.793 9.0-149.3-117.9 151.9 16.4 7.4 25.5 81 100 A D E S+ 0 0 27 -58,-1.5 59,-2.8 -2,-0.3 2,-0.4 0.828 90.4 19.9 -83.1 -35.6 14.0 6.3 22.8 82 101 A L E -bd 24 140A 0 -59,-2.1 -57,-2.5 57,-0.2 2,-0.4 -1.000 60.0-175.7-138.3 135.1 12.9 3.2 24.7 83 102 A I E +bd 25 141A 0 57,-2.0 59,-2.6 -2,-0.4 2,-0.3 -0.999 16.5 167.3-127.6 128.2 13.0 2.2 28.3 84 103 A L E + d 0 142A 0 -59,-2.6 2,-0.3 -2,-0.4 59,-0.2 -0.998 14.7 97.6-142.4 144.7 11.9 -1.2 29.4 85 104 A G E - d 0 143A 0 57,-1.9 59,-1.5 -2,-0.3 -57,-0.1 -0.989 64.1 -83.8 168.4-176.4 12.2 -3.3 32.5 86 105 A N - 0 0 11 -59,-0.4 59,-0.1 -2,-0.3 3,-0.1 -0.946 46.8-147.6-121.8 99.1 10.9 -4.6 35.8 87 106 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 37,-0.1 -0.318 25.0 -99.4 -63.6 151.5 11.6 -2.0 38.5 88 107 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 39,-0.2 -0.535 42.8-147.2 -63.2 140.3 12.4 -3.0 42.1 89 108 A Y + 0 0 41 34,-0.2 2,-0.2 -2,-0.2 33,-0.0 -0.862 39.7 90.4-109.1 147.4 9.2 -2.7 44.2 90 109 A G - 0 0 11 -2,-0.3 33,-2.6 10,-0.0 2,-0.4 -0.584 65.1 -84.5 148.1 158.3 8.9 -1.8 47.9 91 110 A I - 0 0 37 31,-0.2 9,-2.2 -2,-0.2 2,-0.7 -0.741 35.4-130.6 -87.4 131.9 8.5 0.9 50.5 92 111 A V B +i 100 0B 4 28,-0.5 2,-0.3 -2,-0.4 9,-0.2 -0.738 61.4 102.1 -78.8 115.0 11.6 2.8 51.8 93 112 A G S S- 0 0 21 7,-2.2 9,-0.1 -2,-0.7 27,-0.0 -0.974 71.7 -29.1-175.1-179.6 11.5 2.7 55.6 94 113 A E >> - 0 0 143 -2,-0.3 4,-2.8 1,-0.1 3,-2.3 -0.242 56.6-124.1 -53.4 131.9 12.7 1.2 58.9 95 114 A A T 34 S+ 0 0 70 1,-0.3 -1,-0.1 2,-0.2 6,-0.1 0.598 104.8 69.1 -56.9 -18.6 13.8 -2.4 58.4 96 115 A S T 34 S+ 0 0 91 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.651 122.1 9.8 -75.8 -16.4 11.4 -3.6 61.1 97 116 A K T <4 S+ 0 0 163 -3,-2.3 -2,-0.2 1,-0.2 -1,-0.1 0.592 122.6 54.3-133.6 -32.8 8.4 -2.9 58.9 98 117 A Y < - 0 0 71 -4,-2.8 -1,-0.2 1,-0.1 -5,-0.1 -0.845 63.5-139.3-120.5 149.5 9.5 -2.0 55.4 99 118 A P S S+ 0 0 80 0, 0.0 2,-0.6 0, 0.0 -7,-0.2 0.697 79.4 77.2 -79.7 -23.9 11.7 -3.9 52.8 100 119 A I B -i 92 0B 33 -9,-2.2 -7,-2.2 -6,-0.1 2,-0.6 -0.817 59.4-172.3 -99.4 123.5 13.8 -1.0 51.3 101 120 A H + 0 0 115 -2,-0.6 2,-0.3 -9,-0.2 -7,-0.1 -0.911 19.2 143.8-125.2 103.5 16.7 0.2 53.5 102 121 A V - 0 0 51 -2,-0.6 5,-0.1 -9,-0.1 -2,-0.0 -0.921 56.2 -86.0-129.1 155.7 18.7 3.3 52.5 103 122 A F >> - 0 0 172 -2,-0.3 4,-1.7 1,-0.1 3,-0.9 -0.273 41.6-114.4 -54.2 149.6 20.2 6.1 54.7 104 123 A K H 3> S+ 0 0 156 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.876 117.1 58.9 -54.4 -39.8 17.8 8.9 55.5 105 124 A A H 3> S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.809 104.5 49.7 -62.3 -32.5 20.0 11.3 53.4 106 125 A V H <> S+ 0 0 39 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.897 110.9 48.1 -71.5 -44.2 19.5 9.1 50.3 107 126 A K H X S+ 0 0 46 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.863 108.7 55.5 -65.3 -35.4 15.7 9.0 50.7 108 127 A D H X S+ 0 0 62 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.944 107.2 49.9 -57.0 -48.2 15.8 12.7 51.2 109 128 A L H X S+ 0 0 88 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.840 109.8 50.6 -55.7 -40.3 17.6 12.8 47.8 110 129 A Y H X S+ 0 0 13 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.924 108.6 51.2 -64.8 -45.3 14.8 10.6 46.3 111 130 A K H < S+ 0 0 99 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.818 111.3 48.3 -62.8 -34.7 12.1 12.9 47.6 112 131 A K H < S+ 0 0 184 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.808 112.2 49.9 -70.7 -33.9 13.8 16.0 46.1 113 132 A A H < S+ 0 0 44 -4,-1.5 2,-0.6 -5,-0.2 -2,-0.2 0.782 104.0 65.2 -78.0 -27.6 14.2 14.2 42.7 114 133 A F >< - 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