==== 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 2IH2 . COMPND 2 MOLECULE: MODIFICATION METHYLASE TAQI; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR T.LENZ,A.J.SCHEIDIG,E.WEINHOLD . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 14.8 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 . 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 . 62 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 19.5 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 0 3 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 2 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 . 2 5 5 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 21 A V 0 0 159 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.9 -15.9 -12.3 15.6 2 22 A E - 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.902 360.0-128.6-128.6 161.1 -15.3 -13.4 19.2 3 23 A T - 0 0 18 -2,-0.3 173,-0.1 173,-0.1 5,-0.1 -0.946 34.8-112.1-107.0 126.3 -12.8 -12.5 21.8 4 24 A P >> - 0 0 15 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.274 26.2-121.9 -56.0 140.4 -10.9 -15.5 23.5 5 25 A P H 3> S+ 0 0 74 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.822 111.4 54.6 -59.1 -32.5 -12.0 -15.8 27.1 6 26 A E H 3> S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 201,-0.5 0.807 108.1 50.8 -72.4 -26.6 -8.4 -15.5 28.4 7 27 A V H <> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.941 111.7 46.9 -68.4 -48.7 -8.1 -12.2 26.5 8 28 A V H X S+ 0 0 10 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.939 113.0 49.9 -53.0 -49.8 -11.4 -11.0 28.1 9 29 A D H X S+ 0 0 104 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.909 110.2 49.5 -59.7 -43.6 -10.2 -12.1 31.5 10 30 A F H X S+ 0 0 6 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.943 113.0 47.1 -60.8 -46.6 -6.9 -10.3 31.1 11 31 A M H >X S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.6 0.901 110.2 52.1 -62.6 -41.0 -8.7 -7.1 30.0 12 32 A V H >< S+ 0 0 7 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.872 102.9 59.8 -64.1 -35.3 -11.2 -7.4 32.9 13 33 A S H 3< S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.751 107.4 46.7 -61.1 -25.5 -8.2 -7.7 35.3 14 34 A L H << S+ 0 0 25 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.2 0.548 98.4 93.7 -91.7 -9.4 -7.0 -4.3 34.1 15 35 A A << + 0 0 6 -3,-1.0 2,-0.3 -4,-0.6 66,-0.1 -0.606 46.2 170.1 -93.4 144.6 -10.4 -2.6 34.4 16 36 A E + 0 0 107 -2,-0.3 123,-0.2 64,-0.1 -2,-0.0 -0.985 7.1 175.3-145.1 156.8 -11.9 -0.7 37.3 17 37 A A - 0 0 19 -2,-0.3 3,-0.1 121,-0.1 2,-0.1 -0.973 34.4-105.8-153.3 148.1 -14.9 1.5 38.1 18 38 A P > - 0 0 76 0, 0.0 3,-2.6 0, 0.0 62,-0.1 -0.401 56.1 -78.1 -69.7 156.9 -16.2 3.2 41.2 19 39 A R T 3 S+ 0 0 201 1,-0.3 26,-0.2 26,-0.1 3,-0.1 -0.290 123.6 14.6 -50.4 132.5 -19.3 1.7 42.9 20 40 A G T 3 S+ 0 0 53 24,-3.4 -1,-0.3 1,-0.2 25,-0.2 0.505 98.0 151.6 72.9 5.8 -22.4 2.7 41.0 21 41 A G < - 0 0 4 -3,-2.6 25,-2.7 23,-0.4 2,-0.5 -0.182 52.6-105.4 -67.2 159.2 -20.1 3.7 38.1 22 42 A R E -a 46 0A 33 23,-0.2 59,-2.1 56,-0.1 58,-1.7 -0.800 35.9-168.8 -91.3 123.7 -21.2 3.7 34.4 23 43 A V E -ab 47 81A 0 23,-2.8 25,-2.7 -2,-0.5 2,-0.4 -0.967 4.9-168.6-121.1 121.6 -19.7 0.7 32.5 24 44 A L E -ab 48 82A 0 57,-2.8 59,-2.5 -2,-0.5 25,-0.2 -0.908 17.2-165.8-120.1 134.6 -20.0 0.6 28.7 25 45 A E E > -a 49 0A 6 23,-2.3 25,-2.1 -2,-0.4 3,-0.6 -0.948 19.0-153.4-113.9 107.1 -19.3 -2.1 26.1 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 79.8 12.1 -71.6 150.1 -19.2 -0.6 22.6 27 47 A A T 3 S+ 0 0 32 23,-0.9 24,-0.2 -2,-0.1 58,-0.2 0.905 88.7 165.6 52.5 49.3 -20.1 -2.9 19.6 28 48 A C X + 0 0 1 22,-2.0 3,-3.0 -3,-0.6 5,-0.2 0.691 15.9 176.2 -79.9 -26.3 -21.3 -5.3 22.3 29 49 A A T 3 S- 0 0 30 1,-0.3 29,-1.7 21,-0.2 -1,-0.2 -0.376 86.5 -4.7 52.0-119.1 -23.4 -8.0 20.6 30 50 A H T 3 S- 0 0 91 27,-0.2 -1,-0.3 -2,-0.1 27,-0.1 0.472 105.2-114.4 -81.6 -2.6 -24.3 -10.3 23.5 31 51 A G <> + 0 0 0 -3,-3.0 4,-2.5 28,-0.1 5,-0.2 0.887 47.8 169.1 79.3 47.2 -22.1 -8.3 25.9 32 52 A P H > S+ 0 0 33 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.832 79.2 49.4 -62.3 -32.1 -19.3 -10.6 26.9 33 53 A F H > S+ 0 0 1 2,-0.2 4,-2.6 -5,-0.2 5,-0.2 0.903 110.0 49.7 -74.7 -39.6 -17.3 -7.8 28.5 34 54 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.947 113.6 48.4 -57.2 -47.1 -20.2 -6.6 30.5 35 55 A R H X S+ 0 0 93 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 113.4 45.4 -61.8 -46.0 -20.8 -10.1 31.7 36 56 A A H X S+ 0 0 21 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.885 112.9 50.1 -67.0 -40.4 -17.2 -10.8 32.6 37 57 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.932 111.7 48.9 -62.7 -44.7 -16.9 -7.5 34.4 38 58 A R H X S+ 0 0 68 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.906 109.3 52.3 -61.6 -43.4 -20.1 -8.2 36.4 39 59 A E H < S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 117.4 38.4 -59.7 -38.1 -18.9 -11.7 37.3 40 60 A A H < S+ 0 0 67 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.820 131.1 24.0 -84.7 -32.2 -15.6 -10.3 38.7 41 61 A H H < S- 0 0 76 -4,-2.6 3,-0.3 1,-0.3 -3,-0.2 0.488 103.1-120.6-117.2 -6.0 -16.8 -7.1 40.4 42 62 A G < - 0 0 28 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.368 35.4 -62.8 92.8-170.7 -20.4 -7.6 41.2 43 63 A T S S+ 0 0 91 1,-0.1 2,-2.0 -2,-0.1 -1,-0.2 0.456 90.6 104.1-102.4 -5.7 -23.7 -5.9 40.3 44 64 A A + 0 0 33 -3,-0.3 -24,-3.4 -6,-0.1 -23,-0.4 -0.352 66.3 83.7 -83.3 59.6 -23.3 -2.4 41.8 45 65 A Y S S- 0 0 35 -2,-2.0 2,-0.8 -25,-0.2 -23,-0.2 -0.958 82.4-111.6-146.7 160.2 -22.7 -0.6 38.4 46 66 A R E -a 22 0A 147 -25,-2.7 -23,-2.8 -2,-0.3 2,-0.4 -0.887 38.3-157.2 -96.7 106.6 -24.8 0.7 35.6 47 67 A F E +ac 23 63A 5 -2,-0.8 17,-2.7 15,-0.5 2,-0.4 -0.725 15.7 175.2 -91.2 128.6 -24.1 -1.6 32.6 48 68 A V E -ac 24 64A 2 -25,-2.7 -23,-2.3 -2,-0.4 2,-0.4 -0.994 10.7-169.9-134.0 136.7 -24.7 -0.3 29.1 49 69 A G E -ac 25 65A 0 15,-2.6 17,-2.5 -2,-0.4 2,-0.4 -0.978 7.5-156.5-123.0 142.7 -24.0 -1.9 25.7 50 70 A V E +ac 26 66A 0 -25,-2.1 -22,-2.0 -2,-0.4 -23,-0.9 -0.984 19.2 167.6-121.1 129.9 -24.2 -0.2 22.3 51 71 A E E - c 0 67A 21 15,-2.3 17,-1.2 -2,-0.4 6,-0.1 -0.998 28.1-157.1-146.7 133.7 -24.8 -2.3 19.2 52 72 A I S S+ 0 0 104 -2,-0.3 17,-0.1 15,-0.2 -1,-0.1 0.750 78.1 69.7 -84.4 -24.8 -25.7 -1.3 15.6 53 73 A D >> - 0 0 62 1,-0.1 3,-1.7 15,-0.1 4,-1.6 -0.857 64.5-156.4-104.5 113.8 -27.2 -4.6 14.4 54 74 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.776 95.9 59.2 -59.3 -26.8 -30.6 -5.5 16.0 55 75 A K T 34 S+ 0 0 190 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.714 110.4 42.9 -70.3 -21.7 -29.9 -9.2 15.2 56 76 A A T <4 S+ 0 0 31 -3,-1.7 2,-0.5 -27,-0.0 -1,-0.2 0.727 86.5 97.8 -97.9 -29.3 -26.7 -9.0 17.3 57 77 A L < + 0 0 38 -4,-1.6 -27,-0.2 -27,-0.1 2,-0.1 -0.507 39.2 147.5 -69.7 118.3 -27.9 -7.1 20.4 58 78 A D + 0 0 112 -29,-1.7 -1,-0.1 -2,-0.5 -3,-0.0 -0.538 15.0 162.0-154.7 77.1 -28.7 -9.6 23.1 59 79 A L - 0 0 31 -2,-0.1 -28,-0.1 1,-0.1 6,-0.1 -0.701 41.9-103.2-102.1 152.7 -28.0 -8.4 26.6 60 80 A P > - 0 0 17 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.303 41.4-103.5 -65.8 157.6 -29.3 -9.7 30.0 61 81 A P T 3 S+ 0 0 137 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.646 117.4 68.7 -60.1 -15.6 -32.0 -7.7 31.6 62 82 A W T 3 S+ 0 0 78 2,-0.0 -15,-0.5 -16,-0.0 2,-0.3 0.555 95.6 65.3 -79.2 -9.1 -29.5 -6.1 34.1 63 83 A A E < S-c 47 0A 13 -3,-2.3 2,-0.6 -17,-0.1 -15,-0.2 -0.870 82.0-125.6-110.5 147.3 -27.9 -4.2 31.2 64 84 A E E -c 48 0A 97 -17,-2.7 -15,-2.6 -2,-0.3 2,-0.5 -0.834 24.6-156.8 -87.6 126.7 -29.3 -1.4 29.1 65 85 A G E -c 49 0A 36 -2,-0.6 2,-0.5 -17,-0.2 -15,-0.2 -0.899 6.6-167.4-104.5 127.5 -29.0 -2.1 25.3 66 86 A I E -c 50 0A 35 -17,-2.5 -15,-2.3 -2,-0.5 2,-0.9 -0.960 16.3-142.8-115.6 128.6 -29.0 0.7 22.9 67 87 A L E +c 51 0A 102 -2,-0.5 2,-0.3 -17,-0.2 -15,-0.2 -0.822 55.7 114.8 -88.5 105.6 -29.4 0.2 19.1 68 88 A A S S- 0 0 24 -17,-1.2 2,-0.8 -2,-0.9 -15,-0.1 -0.986 75.7 -95.7-162.3 158.6 -27.0 2.8 17.6 69 89 A D >> - 0 0 32 -2,-0.3 3,-1.7 1,-0.2 4,-0.6 -0.803 37.6-149.3 -77.7 112.4 -23.9 3.4 15.6 70 90 A F G >4 S+ 0 0 6 -2,-0.8 3,-0.9 1,-0.3 -1,-0.2 0.852 92.3 61.3 -54.3 -37.7 -21.4 3.9 18.5 71 91 A L G 34 S+ 0 0 2 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.709 115.2 31.2 -66.9 -21.1 -19.4 6.3 16.4 72 92 A L G <4 S+ 0 0 68 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.240 92.0 125.0-117.3 8.0 -22.3 8.8 16.1 73 93 A W << - 0 0 30 -3,-0.9 -5,-0.0 -4,-0.6 -3,-0.0 -0.508 40.0-167.6 -77.1 132.3 -23.9 8.0 19.4 74 94 A E - 0 0 150 -2,-0.3 -1,-0.1 59,-0.0 -3,-0.0 -0.792 9.3-171.8-124.3 87.6 -24.5 11.0 21.8 75 95 A P - 0 0 27 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.313 31.1-121.7 -73.5 162.2 -25.5 9.8 25.3 76 96 A G S S+ 0 0 94 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.781 92.5 35.2 -72.4 -27.7 -26.6 12.2 28.0 77 97 A E S S- 0 0 102 1,-0.0 -1,-0.1 58,-0.0 58,-0.1 -0.979 78.7-118.7-137.2 142.3 -23.8 11.2 30.4 78 98 A A - 0 0 34 -2,-0.3 2,-0.3 1,-0.1 56,-0.2 -0.058 33.7-113.1 -70.1 173.8 -20.1 10.2 30.3 79 99 A F E - d 0 134A 1 54,-2.7 56,-2.7 51,-0.2 -56,-0.1 -0.831 11.3-153.7-121.9 150.2 -18.7 6.9 31.5 80 100 A D E S+ 0 0 21 -58,-1.7 59,-2.5 -2,-0.3 2,-0.4 0.787 89.6 17.7 -84.2 -33.9 -16.4 5.6 34.2 81 101 A L E -bd 23 139A 0 -59,-2.1 -57,-2.8 57,-0.2 2,-0.4 -0.994 58.8-177.2-144.9 132.5 -15.3 2.5 32.3 82 102 A I E +bd 24 140A 0 57,-2.3 59,-2.4 -2,-0.4 2,-0.3 -0.999 19.0 164.2-128.2 126.4 -15.4 1.6 28.7 83 103 A L E + d 0 141A 0 -59,-2.5 2,-0.3 -2,-0.4 59,-0.2 -0.991 14.7 84.4-143.7 150.5 -14.2 -1.9 27.6 84 104 A G E - d 0 142A 0 57,-1.9 59,-1.3 -2,-0.3 -57,-0.1 -0.976 68.1 -71.4 157.3-167.2 -14.5 -4.2 24.7 85 105 A N - 0 0 22 -59,-0.4 59,-0.1 -2,-0.3 3,-0.1 -0.924 46.1-153.4-128.2 100.3 -13.2 -5.3 21.3 86 106 A P - 0 0 2 0, 0.0 37,-0.1 0, 0.0 2,-0.1 -0.302 30.2 -89.6 -75.5 159.4 -14.1 -2.7 18.6 87 107 A P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 39,-0.2 -0.420 42.0-145.1 -63.4 144.1 -14.6 -3.7 14.9 88 108 A Y + 0 0 59 34,-0.1 2,-0.2 35,-0.1 33,-0.0 -0.903 42.1 93.0-109.5 140.6 -11.4 -3.5 12.9 89 109 A G - 0 0 10 -2,-0.4 33,-2.8 2,-0.0 2,-0.4 -0.585 64.2 -91.7 152.5 153.9 -11.2 -2.4 9.3 90 110 A I - 0 0 40 31,-0.2 9,-1.9 -2,-0.2 2,-0.6 -0.685 36.6-129.2 -84.5 133.5 -10.7 0.2 6.6 91 111 A V B +i 99 0B 6 28,-0.5 2,-0.3 -2,-0.4 9,-0.2 -0.730 60.3 99.2 -82.2 116.2 -13.8 2.0 5.3 92 112 A G S S- 0 0 21 7,-2.0 5,-0.1 -2,-0.6 9,-0.0 -0.986 71.3 -27.8-177.8-178.4 -13.8 1.9 1.5 93 113 A E >> - 0 0 144 -2,-0.3 4,-2.9 1,-0.1 3,-1.9 -0.159 56.2-124.7 -53.6 137.4 -15.0 0.4 -1.8 94 114 A A T 34 S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.2 6,-0.0 0.706 104.0 68.3 -64.0 -24.7 -15.9 -3.3 -1.4 95 115 A S T 34 S+ 0 0 95 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.703 123.9 11.1 -64.3 -19.2 -13.5 -4.5 -4.1 96 116 A K T <4 S+ 0 0 157 -3,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.631 124.0 49.4-131.7 -29.0 -10.6 -3.6 -1.9 97 117 A Y < - 0 0 71 -4,-2.9 -1,-0.3 -5,-0.1 -6,-0.1 -0.871 63.5-137.8-127.6 152.1 -11.8 -2.7 1.7 98 118 A P S S+ 0 0 81 0, 0.0 2,-0.6 0, 0.0 -7,-0.2 0.663 78.3 75.0 -86.6 -18.8 -14.0 -4.5 4.1 99 119 A I B -i 91 0B 40 -9,-1.9 -7,-2.0 -6,-0.1 2,-0.6 -0.872 61.2-168.9-105.3 120.0 -16.2 -1.8 5.7 100 120 A H + 0 0 111 -2,-0.6 2,-0.3 -9,-0.2 -7,-0.1 -0.928 20.8 141.3-119.5 112.7 -19.0 -0.6 3.4 101 121 A V - 0 0 58 -2,-0.6 5,-0.0 -9,-0.0 -2,-0.0 -0.949 56.4 -80.0-139.0 159.5 -21.1 2.5 4.2 102 122 A F >> - 0 0 171 -2,-0.3 4,-2.1 1,-0.1 3,-1.0 -0.310 41.6-117.2 -53.5 143.9 -22.6 5.4 2.3 103 123 A K H 3> S+ 0 0 153 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.886 117.1 61.6 -48.1 -41.4 -20.1 8.1 1.5 104 124 A A H 3> S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.856 103.4 47.8 -56.3 -38.3 -22.3 10.4 3.6 105 125 A V H <> S+ 0 0 36 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.926 110.1 51.1 -69.8 -45.2 -21.7 8.2 6.7 106 126 A K H X S+ 0 0 48 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.907 107.9 54.5 -57.9 -40.0 -17.9 8.2 6.1 107 127 A D H X S+ 0 0 63 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.878 105.8 52.0 -59.0 -40.4 -18.2 12.0 5.9 108 128 A L H X S+ 0 0 84 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.892 109.4 49.9 -63.7 -37.8 -19.9 12.1 9.3 109 129 A Y H X S+ 0 0 13 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.931 109.6 50.2 -66.1 -46.4 -17.1 9.9 10.8 110 130 A K H < S+ 0 0 101 -4,-2.5 6,-0.2 1,-0.2 -2,-0.2 0.909 113.0 47.2 -58.3 -42.2 -14.4 12.2 9.3 111 131 A K H < S+ 0 0 181 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.869 113.4 48.9 -64.7 -38.3 -16.2 15.2 10.8 112 132 A A H < S+ 0 0 42 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.2 0.759 103.5 65.7 -73.0 -27.8 -16.6 13.5 14.2 113 133 A F >< - 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