==== 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 25-SEP-06 2IH5 . COMPND 2 MOLECULE: MODIFICATION METHYLASE TAQI; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR T.LENZ,A.J.SCHEIDIG,E.WEINHOLD . 390 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 13.8 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 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 . 1 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 . 29 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 19.0 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 0 2 0 0 1 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 . 1 3 1 1 1 0 2 0 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 . 2 1 1 0 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 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 21 A V 0 0 161 0, 0.0 2,-0.4 0, 0.0 175,-0.0 0.000 360.0 360.0 360.0 121.3 -44.8 10.2 16.1 2 22 A E - 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.886 360.0-120.4-112.5 141.5 -45.3 11.9 12.7 3 23 A T - 0 0 18 -2,-0.4 5,-0.1 1,-0.1 173,-0.1 -0.748 36.4-112.1 -83.6 125.5 -42.9 11.4 9.8 4 24 A P >> - 0 0 21 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.259 23.0-118.6 -58.1 143.2 -41.3 14.7 8.8 5 25 A P H 3> S+ 0 0 78 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.847 112.9 55.7 -47.7 -44.4 -42.5 15.9 5.3 6 26 A E H 3> S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 201,-0.2 0.859 109.0 48.2 -59.6 -37.1 -38.9 15.8 3.9 7 27 A V H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.944 112.3 47.6 -69.7 -49.8 -38.6 12.1 4.9 8 28 A V H X S+ 0 0 11 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.945 113.6 48.4 -53.1 -51.4 -42.1 11.2 3.3 9 29 A D H X S+ 0 0 88 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.898 111.9 49.0 -60.9 -43.1 -41.2 13.1 0.1 10 30 A F H X S+ 0 0 2 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.943 112.5 47.9 -59.6 -47.4 -37.8 11.4 -0.2 11 31 A M H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.5 0.902 110.1 51.4 -62.0 -43.4 -39.3 7.9 0.4 12 32 A V H >< S+ 0 0 7 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.831 103.5 59.8 -62.2 -32.3 -42.1 8.6 -2.2 13 33 A S H 3< S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.727 108.4 45.0 -69.1 -21.2 -39.4 9.6 -4.7 14 34 A L T << S+ 0 0 24 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.483 96.5 101.8 -93.5 -10.0 -37.9 6.1 -4.3 15 35 A A < + 0 0 11 -3,-0.8 2,-0.3 -4,-0.5 66,-0.1 -0.464 46.7 178.3 -87.1 151.5 -41.3 4.4 -4.5 16 36 A E + 0 0 112 -2,-0.1 123,-0.3 64,-0.1 -2,-0.0 -0.994 8.1 161.1-151.0 138.0 -42.5 2.6 -7.6 17 37 A A - 0 0 20 -2,-0.3 2,-0.1 121,-0.1 3,-0.1 -0.957 38.3-108.8-154.8 149.2 -45.6 0.7 -8.7 18 38 A P > - 0 0 76 0, 0.0 3,-2.6 0, 0.0 62,-0.1 -0.461 52.7 -87.6 -70.0 149.0 -47.3 -0.3 -11.9 19 39 A R T 3 S+ 0 0 190 1,-0.3 26,-0.2 -2,-0.1 3,-0.1 -0.290 122.1 23.7 -55.7 137.9 -50.6 1.4 -12.8 20 40 A G T 3 S+ 0 0 50 24,-3.9 -1,-0.3 1,-0.2 25,-0.2 0.439 98.9 145.9 79.8 0.7 -53.4 -0.5 -11.2 21 41 A G < - 0 0 3 -3,-2.6 25,-3.1 23,-0.5 2,-0.6 -0.200 56.1-107.6 -70.6 160.2 -50.9 -1.8 -8.7 22 42 A R E -a 46 0A 41 23,-0.2 59,-2.1 -3,-0.1 58,-1.7 -0.815 34.4-169.0 -95.1 120.2 -51.6 -2.5 -5.1 23 43 A V E -ab 47 81A 0 23,-3.2 25,-2.6 -2,-0.6 2,-0.4 -0.949 4.3-167.1-115.2 127.2 -50.0 0.0 -2.7 24 44 A L E -ab 48 82A 0 57,-2.6 59,-2.7 -2,-0.5 25,-0.2 -0.945 16.2-167.2-122.1 132.1 -49.9 -0.7 1.1 25 45 A E E > -a 49 0A 6 23,-2.3 25,-2.0 -2,-0.4 3,-0.6 -0.949 18.8-154.3-111.3 109.2 -49.2 1.5 4.1 26 46 A P E 3 S+a 50 0A 1 0, 0.0 59,-0.4 0, 0.0 25,-0.1 -0.486 79.5 12.2 -76.2 150.2 -48.7 -0.6 7.3 27 47 A A T 3 S+ 0 0 31 23,-0.9 24,-0.2 -2,-0.1 58,-0.2 0.901 88.1 163.8 51.9 50.0 -49.4 1.0 10.6 28 48 A C X + 0 0 2 22,-1.7 3,-2.8 -3,-0.6 2,-0.3 0.702 16.8 176.5 -81.3 -28.4 -51.0 3.8 8.7 29 49 A A T 3 S- 0 0 31 1,-0.3 29,-2.1 21,-0.2 -1,-0.2 -0.431 88.0 -3.0 53.1-111.8 -53.2 5.9 11.1 30 50 A H T 3 S- 0 0 74 -2,-0.3 -1,-0.3 27,-0.2 5,-0.1 0.476 104.0-114.6 -86.3 -0.1 -54.3 8.7 8.7 31 51 A G <> + 0 0 0 -3,-2.8 4,-2.5 28,-0.1 5,-0.2 0.925 47.5 169.2 72.4 50.3 -52.3 7.3 5.7 32 52 A P H > S+ 0 0 35 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.842 80.4 48.1 -61.5 -34.6 -49.7 10.1 5.1 33 53 A F H > S+ 0 0 1 2,-0.2 4,-2.5 -5,-0.2 5,-0.2 0.892 110.6 49.6 -74.4 -39.3 -47.7 7.8 2.8 34 54 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.946 113.9 48.1 -58.1 -47.0 -50.8 6.7 0.8 35 55 A R H X S+ 0 0 94 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.902 113.4 45.7 -61.9 -47.1 -51.7 10.4 0.5 36 56 A A H X S+ 0 0 23 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.872 112.5 50.5 -65.3 -41.0 -48.3 11.5 -0.6 37 57 A F H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.942 112.4 47.1 -63.1 -47.4 -47.9 8.7 -3.1 38 58 A R H X S+ 0 0 69 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.877 111.5 51.1 -58.1 -43.7 -51.3 9.5 -4.7 39 59 A E H < S+ 0 0 173 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.895 116.5 41.3 -61.2 -39.0 -50.5 13.2 -4.8 40 60 A A H < S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.847 132.4 20.2 -78.9 -36.1 -47.2 12.4 -6.6 41 61 A H H < S- 0 0 72 -4,-2.7 3,-0.3 1,-0.3 -3,-0.2 0.413 102.2-124.4-120.6 1.2 -48.4 9.7 -9.0 42 62 A G < - 0 0 28 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.297 39.1 -54.4 83.6-167.2 -52.2 10.1 -9.2 43 63 A T S S+ 0 0 89 1,-0.2 2,-2.4 -4,-0.1 -1,-0.2 0.537 90.3 103.1-100.1 -11.5 -55.1 7.9 -8.7 44 64 A A + 0 0 36 -3,-0.3 -24,-3.9 -6,-0.1 -23,-0.5 -0.281 66.5 83.1 -82.3 60.0 -54.7 4.7 -10.8 45 65 A Y S S- 0 0 26 -2,-2.4 2,-0.6 -25,-0.2 -23,-0.2 -0.933 80.3-113.1-144.6 164.5 -53.6 2.4 -8.0 46 66 A R E -a 22 0A 175 -25,-3.1 -23,-3.2 -2,-0.3 2,-0.4 -0.943 37.6-156.5-104.0 114.7 -55.4 0.3 -5.4 47 67 A F E +ac 23 63A 6 -2,-0.6 17,-3.1 15,-0.6 2,-0.3 -0.801 14.9 177.5-102.1 132.5 -54.5 1.8 -2.0 48 68 A V E -ac 24 64A 4 -25,-2.6 -23,-2.3 -2,-0.4 2,-0.4 -0.981 7.3-172.1-134.5 140.4 -54.7 -0.1 1.3 49 69 A G E -ac 25 65A 0 15,-2.5 17,-2.2 -2,-0.3 2,-0.5 -1.000 8.6-156.1-136.2 133.2 -53.8 1.0 4.9 50 70 A V E +ac 26 66A 1 -25,-2.0 -22,-1.7 -2,-0.4 -23,-0.9 -0.946 17.5 171.0-116.5 128.8 -53.6 -1.3 7.9 51 71 A E E - c 0 67A 19 15,-2.7 17,-1.4 -2,-0.5 6,-0.1 -0.996 27.1-158.8-141.8 133.8 -54.1 0.1 11.4 52 72 A I S S+ 0 0 108 -2,-0.4 17,-0.1 15,-0.2 -1,-0.1 0.743 81.5 68.7 -85.7 -24.0 -54.5 -1.7 14.8 53 73 A D >> - 0 0 59 1,-0.2 3,-2.1 15,-0.1 4,-1.3 -0.864 65.9-159.9-104.3 106.9 -56.1 1.2 16.6 54 74 A P T 34 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.810 93.6 59.3 -56.8 -30.6 -59.6 1.9 15.3 55 75 A K T 34 S+ 0 0 180 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.716 108.5 45.4 -66.4 -22.5 -59.4 5.4 16.8 56 76 A A T <4 S+ 0 0 31 -3,-2.1 2,-0.3 -27,-0.0 -1,-0.2 0.717 83.6 102.0 -94.7 -25.0 -56.3 6.1 14.6 57 77 A L < + 0 0 43 -4,-1.3 -27,-0.2 -3,-0.1 2,-0.1 -0.489 38.6 153.8 -66.2 120.0 -57.5 4.7 11.2 58 78 A D + 0 0 104 -29,-2.1 -1,-0.1 -2,-0.3 -3,-0.0 -0.501 11.3 155.4-151.9 72.9 -58.5 7.8 9.2 59 79 A L - 0 0 32 1,-0.1 -28,-0.1 4,-0.1 6,-0.1 -0.766 42.7-110.2-106.3 149.4 -58.2 7.2 5.5 60 80 A P > - 0 0 24 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.213 41.0 -97.6 -66.6 165.4 -60.0 8.9 2.6 61 81 A P T 3 S+ 0 0 138 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.706 118.9 67.9 -58.7 -26.9 -62.7 7.0 0.6 62 82 A W T 3 S+ 0 0 75 2,-0.1 -15,-0.6 -16,-0.0 2,-0.3 0.523 95.2 68.8 -72.9 -7.2 -60.2 6.1 -2.2 63 83 A A E < S-c 47 0A 14 -3,-1.8 2,-0.6 -17,-0.1 -15,-0.2 -0.875 79.4-129.1-112.6 145.5 -58.3 3.8 0.2 64 84 A E E -c 48 0A 110 -17,-3.1 -15,-2.5 -2,-0.3 2,-0.4 -0.842 24.9-153.8 -87.9 126.6 -59.2 0.5 1.8 65 85 A G E -c 49 0A 34 -2,-0.6 2,-0.4 -17,-0.2 -15,-0.2 -0.817 7.3-165.6 -99.7 139.7 -58.7 0.6 5.6 66 86 A I E -c 50 0A 29 -17,-2.2 -15,-2.7 -2,-0.4 2,-1.0 -0.997 12.3-148.7-128.3 123.9 -58.1 -2.7 7.5 67 87 A L E +c 51 0A 100 -2,-0.4 2,-0.3 -17,-0.2 -15,-0.2 -0.816 55.0 106.1 -94.8 97.4 -58.4 -2.8 11.3 68 88 A A S S- 0 0 27 -17,-1.4 2,-0.8 -2,-1.0 -15,-0.1 -0.987 80.3 -88.2-162.5 160.4 -55.9 -5.5 12.2 69 89 A D >> - 0 0 33 -2,-0.3 3,-1.6 1,-0.2 4,-1.0 -0.772 40.0-148.0 -74.6 109.5 -52.5 -6.3 13.7 70 90 A F G >4 S+ 0 0 5 -2,-0.8 3,-0.7 1,-0.3 -1,-0.2 0.871 94.0 60.0 -47.8 -40.7 -50.4 -6.0 10.5 71 91 A L G 34 S+ 0 0 2 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.745 114.4 34.0 -66.2 -22.9 -48.0 -8.7 11.9 72 92 A L G <4 S+ 0 0 64 -3,-1.6 2,-0.3 2,-0.0 -1,-0.2 0.447 92.8 116.7-109.7 -0.5 -50.8 -11.2 12.0 73 93 A W << - 0 0 32 -4,-1.0 -5,-0.0 -3,-0.7 -23,-0.0 -0.497 44.6-165.3 -76.6 130.6 -52.8 -10.0 9.0 74 94 A E - 0 0 145 -2,-0.3 -1,-0.1 59,-0.0 -3,-0.0 -0.817 9.6-164.1-118.7 91.4 -53.2 -12.4 6.1 75 95 A P - 0 0 28 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.280 26.2-123.9 -70.1 159.9 -54.4 -10.6 2.9 76 96 A G S S+ 0 0 95 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.788 92.4 33.0 -68.1 -28.9 -55.8 -12.5 -0.1 77 97 A E S S- 0 0 103 1,-0.0 -1,-0.1 58,-0.0 58,-0.0 -0.948 80.2-116.1-135.8 149.4 -53.3 -11.0 -2.5 78 98 A A - 0 0 33 -2,-0.3 2,-0.3 1,-0.1 56,-0.2 -0.157 34.3-113.9 -75.1 174.6 -49.7 -9.7 -2.4 79 99 A F E - d 0 134A 0 54,-2.9 56,-2.9 51,-0.2 -56,-0.1 -0.846 10.9-154.0-120.1 150.5 -48.6 -6.1 -3.0 80 100 A D E S+ 0 0 23 -58,-1.7 59,-2.7 -2,-0.3 2,-0.4 0.763 89.3 18.9 -83.6 -34.2 -46.6 -4.2 -5.6 81 101 A L E -bd 23 139A 0 -59,-2.1 -57,-2.6 57,-0.2 2,-0.4 -0.993 58.5-176.7-144.3 134.2 -45.5 -1.5 -3.2 82 102 A I E +bd 24 140A 0 57,-2.5 59,-2.6 -2,-0.4 2,-0.3 -0.999 18.7 165.5-128.7 126.0 -45.3 -1.2 0.5 83 103 A L E + d 0 141A 0 -59,-2.7 2,-0.3 -2,-0.4 59,-0.2 -0.993 15.8 81.4-142.7 151.3 -44.3 2.0 2.1 84 104 A G E - d 0 142A 0 57,-2.0 59,-1.5 -2,-0.3 -57,-0.1 -0.970 68.2 -72.2 153.4-170.0 -44.3 3.7 5.5 85 105 A N - 0 0 26 -59,-0.4 59,-0.1 -2,-0.3 3,-0.1 -0.920 45.7-154.1-127.6 98.3 -42.9 4.2 9.0 86 106 A P - 0 0 2 0, 0.0 37,-0.1 0, 0.0 -59,-0.1 -0.290 30.5 -89.7 -74.2 160.4 -43.5 1.1 11.2 87 107 A P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 39,-0.2 -0.412 42.2-145.5 -65.4 147.6 -43.6 1.3 15.0 88 108 A Y + 0 0 59 34,-0.2 2,-0.2 35,-0.1 33,-0.0 -0.937 41.8 95.1-113.5 137.8 -40.2 0.9 16.7 89 109 A G - 0 0 9 -2,-0.4 33,-2.9 10,-0.0 2,-0.4 -0.677 64.5 -91.3 156.5 155.5 -39.7 -0.8 20.0 90 110 A I - 0 0 41 31,-0.2 9,-2.3 -2,-0.2 2,-0.5 -0.724 37.3-128.3 -85.0 131.5 -38.9 -3.9 22.0 91 111 A V B +i 99 0B 4 28,-0.5 2,-0.3 -2,-0.4 9,-0.2 -0.717 61.1 95.1 -75.2 119.0 -41.8 -6.2 23.1 92 112 A G S S- 0 0 23 7,-2.4 9,-0.0 -2,-0.5 5,-0.0 -0.984 71.8 -24.2 175.0-176.1 -41.6 -6.8 26.8 93 113 A E >> - 0 0 140 -2,-0.3 4,-3.3 1,-0.1 3,-2.0 -0.170 55.1-126.1 -56.9 135.4 -42.5 -6.0 30.4 94 114 A A T 34 S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.2 6,-0.0 0.705 103.7 67.6 -60.3 -26.5 -43.7 -2.4 30.9 95 115 A S T 34 S+ 0 0 96 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.729 125.1 10.5 -62.7 -19.4 -41.2 -1.6 33.7 96 116 A K T <4 S+ 0 0 155 -3,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.642 123.7 51.0-133.0 -32.3 -38.4 -1.9 31.1 97 117 A Y < - 0 0 69 -4,-3.3 -1,-0.2 1,-0.1 -6,-0.1 -0.853 61.8-141.1-121.4 151.3 -39.8 -2.1 27.5 98 118 A P S S+ 0 0 79 0, 0.0 2,-0.7 0, 0.0 -7,-0.2 0.688 78.3 77.0 -86.3 -21.6 -42.2 0.0 25.6 99 119 A I B -i 91 0B 37 -9,-2.3 -7,-2.4 -6,-0.1 2,-0.6 -0.834 61.5-167.7 -99.9 119.5 -44.3 -2.5 23.6 100 120 A H + 0 0 112 -2,-0.7 2,-0.3 -9,-0.2 -7,-0.1 -0.893 18.3 152.5-113.0 110.7 -46.9 -4.3 25.6 101 121 A V - 0 0 50 -2,-0.6 5,-0.0 -9,-0.0 -2,-0.0 -0.961 49.1 -92.8-134.5 154.9 -48.6 -7.4 24.2 102 122 A F >> - 0 0 171 -2,-0.3 4,-1.8 1,-0.1 3,-0.8 -0.308 39.9-115.4 -62.5 145.9 -50.2 -10.5 25.6 103 123 A K H 3> S+ 0 0 155 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.864 116.4 58.5 -53.4 -39.0 -47.8 -13.4 25.9 104 124 A A H 3> S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.872 104.5 51.1 -58.3 -39.1 -49.9 -15.4 23.4 105 125 A V H <> S+ 0 0 36 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.906 108.4 50.6 -67.1 -42.6 -49.4 -12.6 20.8 106 126 A K H X S+ 0 0 51 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.909 109.5 51.5 -62.1 -40.9 -45.6 -12.6 21.3 107 127 A D H X S+ 0 0 66 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 108.3 52.0 -60.2 -41.9 -45.6 -16.4 20.8 108 128 A L H X S+ 0 0 82 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.912 108.1 51.4 -61.7 -43.0 -47.5 -15.8 17.6 109 129 A Y H X S+ 0 0 8 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.935 109.9 49.1 -57.5 -48.3 -44.9 -13.3 16.4 110 130 A K H < S+ 0 0 99 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.907 111.4 49.7 -59.9 -43.0 -42.1 -15.7 17.0 111 131 A K H < S+ 0 0 185 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.917 115.6 44.4 -57.2 -45.4 -43.9 -18.5 15.1 112 132 A A H < S+ 0 0 43 -4,-2.3 2,-0.7 -5,-0.2 -2,-0.2 0.800 105.4 65.0 -69.7 -33.6 -44.5 -16.1 12.2 113 133 A F >< - 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