==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/DNA 05-AUG-04 1U8B . COMPND 2 MOLECULE: 5'-D(*TP*AP*AP*AP*TP*T)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.HE,J.-C.HUS,L.J.SUN,P.ZHOU,D.P.G.NORMAN,V.DOTSCH, . 132 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.0 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 0 1 0 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 136 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.9 6.6 11.7 20.1 2 2 A K > - 0 0 64 1,-0.1 4,-1.4 4,-0.0 3,-0.2 -0.368 360.0-110.8 -86.0 166.6 7.3 13.7 16.9 3 9 A D H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.746 112.8 63.4 -69.4 -26.5 9.5 16.8 16.6 4 10 A D H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 104.0 47.7 -66.2 -40.4 6.6 19.1 16.0 5 11 A Q H > S+ 0 0 109 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.912 112.3 50.0 -64.0 -39.4 5.3 18.4 19.4 6 12 A R H X S+ 0 0 60 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.851 107.5 55.5 -64.6 -34.2 8.8 18.9 20.7 7 13 A W H X S+ 0 0 26 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.906 104.0 52.0 -65.1 -43.1 8.8 22.2 18.8 8 14 A Q H X S+ 0 0 122 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.853 106.1 55.4 -63.9 -32.5 5.7 23.4 20.5 9 15 A S H <>S+ 0 0 25 -4,-1.5 5,-2.2 2,-0.2 4,-0.3 0.945 109.9 46.9 -64.5 -43.0 7.3 22.6 23.8 10 16 A V H ><5S+ 0 0 0 -4,-1.9 3,-1.8 2,-0.2 -2,-0.2 0.934 110.1 49.4 -64.1 -48.8 10.2 24.9 22.8 11 17 A L H 3<5S+ 0 0 71 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.890 113.2 49.9 -59.2 -34.2 8.1 27.8 21.6 12 18 A A T 3<5S- 0 0 69 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.570 103.5-138.7 -78.3 -7.2 6.3 27.4 24.9 13 19 A R T < 5 - 0 0 60 -3,-1.8 -3,-0.2 -4,-0.3 22,-0.2 0.895 33.6-172.4 47.9 41.7 9.6 27.4 26.7 14 20 A D > < - 0 0 51 -5,-2.2 3,-1.6 20,-0.2 4,-0.4 -0.558 24.3-160.2 -73.5 114.9 8.1 24.7 28.8 15 21 A P G > S+ 0 0 80 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.800 89.2 70.7 -63.1 -31.2 10.4 23.7 31.8 16 22 A N G 3 S+ 0 0 134 1,-0.3 4,-0.1 18,-0.1 -2,-0.1 0.712 96.1 56.2 -59.2 -18.7 8.5 20.4 32.0 17 23 A A G X> S+ 0 0 8 -3,-1.6 3,-1.4 -8,-0.1 4,-0.8 0.695 79.0 109.9 -88.1 -21.1 10.3 19.5 28.8 18 24 A D B <4 S+a 21 0A 29 -3,-1.4 2,-0.2 -4,-0.4 4,-0.1 -0.274 84.5 20.3 -56.7 139.8 13.8 20.1 30.1 19 25 A G T 34 S+ 0 0 67 2,-0.6 -1,-0.3 1,-0.1 -2,-0.1 -0.164 105.6 85.2 92.8 -39.5 15.7 16.9 30.4 20 26 A E T <4 S- 0 0 140 -3,-1.4 2,-0.3 -2,-0.2 -2,-0.2 0.844 109.7 -29.5 -63.6 -33.7 13.4 15.1 28.0 21 27 A F B < -a 18 0A 15 -4,-0.8 -2,-0.6 -15,-0.0 2,-0.3 -0.959 55.2-128.2-167.8 178.4 15.4 16.4 25.0 22 28 A V E -B 49 0B 5 27,-2.5 27,-2.8 -2,-0.3 2,-0.3 -0.994 18.3-143.0-141.7 142.5 17.6 19.2 23.7 23 29 A F E -BC 48 32B 7 9,-2.0 9,-2.4 -2,-0.3 2,-0.3 -0.820 10.6-154.7-110.8 153.2 17.3 21.3 20.5 24 30 A A E -BC 47 31B 0 23,-3.0 23,-1.8 -2,-0.3 2,-0.6 -0.944 8.6-145.9-127.0 147.4 20.1 22.6 18.3 25 31 A V E >>> -BC 46 30B 12 5,-2.4 4,-2.8 -2,-0.3 3,-1.7 -0.936 5.1-158.1-114.8 110.4 20.3 25.5 15.8 26 32 A R T 345S+ 0 0 159 19,-2.4 -1,-0.1 -2,-0.6 20,-0.1 0.761 91.1 59.4 -58.5 -28.1 22.5 24.8 12.8 27 33 A T T 345S+ 0 0 94 18,-0.2 -1,-0.3 1,-0.2 19,-0.1 0.679 120.7 25.7 -76.2 -16.9 23.1 28.5 12.1 28 34 A T T <45S- 0 0 80 -3,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.571 92.3-135.9-118.3 -19.3 24.7 28.9 15.6 29 35 A G T <5 + 0 0 21 -4,-2.8 32,-2.4 1,-0.3 2,-0.3 0.788 66.1 122.7 64.9 26.9 26.0 25.4 16.3 30 36 A I E < -Cd 25 61B 36 -5,-0.8 -5,-2.4 30,-0.2 2,-0.4 -0.875 47.6-156.3-117.8 149.7 24.6 25.8 19.8 31 37 A F E -Cd 24 62B 0 30,-1.5 32,-1.6 -2,-0.3 2,-0.3 -0.967 14.8-178.4-127.2 146.2 22.1 23.6 21.6 32 38 A X E -C 23 0B 18 -9,-2.4 -9,-2.0 -2,-0.4 32,-0.0 -0.826 31.7 -94.0-135.3 175.5 19.8 24.5 24.5 33 39 A R > - 0 0 62 -2,-0.3 3,-2.4 -11,-0.2 -11,-0.1 -0.648 46.1-107.2 -88.7 148.1 17.1 23.2 26.8 34 40 A P T 3 S+ 0 0 0 0, 0.0 -21,-0.2 0, 0.0 -20,-0.2 0.696 117.9 52.8 -47.9 -27.1 13.4 23.8 25.8 35 41 A S T 3 S+ 0 0 22 -22,-0.2 2,-0.1 -20,-0.1 -25,-0.0 0.243 75.8 141.1 -97.8 13.9 12.9 26.5 28.4 36 42 A C < - 0 0 4 -3,-2.4 30,-0.1 1,-0.1 -4,-0.0 -0.362 51.7-139.7 -61.0 129.7 15.9 28.6 27.3 37 43 A R + 0 0 192 -2,-0.1 -1,-0.1 28,-0.1 3,-0.1 0.474 64.8 117.1 -68.5 -4.3 15.1 32.3 27.5 38 44 A A S S- 0 0 21 1,-0.1 3,-0.1 0, 0.0 -2,-0.0 -0.360 81.1 -92.3 -68.4 144.0 17.0 33.1 24.2 39 45 A R - 0 0 225 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.211 55.0-106.0 -51.5 147.9 15.0 34.4 21.2 40 46 A H - 0 0 46 -3,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.334 26.6-130.5 -79.6 160.9 13.9 31.4 19.2 41 47 A A - 0 0 32 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.484 39.3 -78.0-100.8 175.3 15.3 30.4 15.8 42 48 A L >> - 0 0 106 -2,-0.2 3,-3.5 1,-0.1 4,-0.6 -0.615 40.2-123.2 -78.0 132.6 13.4 29.5 12.6 43 49 A R G >4 S+ 0 0 82 -2,-0.3 3,-2.4 1,-0.3 -1,-0.1 0.870 110.9 62.2 -38.1 -52.1 11.9 26.0 12.8 44 50 A E G 34 S+ 0 0 131 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.566 103.2 50.7 -54.9 -11.9 13.8 25.1 9.6 45 51 A N G <4 S+ 0 0 23 -3,-3.5 -19,-2.4 -20,-0.0 -1,-0.3 0.505 95.9 89.9-104.4 -8.2 17.1 25.7 11.4 46 52 A V E << +B 25 0B 13 -3,-2.4 2,-0.3 -4,-0.6 -21,-0.2 -0.617 45.3 172.5 -96.5 150.8 16.3 23.5 14.5 47 53 A S E -B 24 0B 35 -23,-1.8 -23,-3.0 -2,-0.2 2,-0.4 -0.942 22.4-127.1-145.6 161.1 16.9 19.8 15.1 48 54 A F E -B 23 0B 27 -2,-0.3 2,-0.4 -25,-0.2 -25,-0.2 -0.902 15.8-172.8-123.1 149.9 16.5 17.7 18.2 49 55 A Y E -B 22 0B 61 -27,-2.8 -27,-2.5 -2,-0.4 3,-0.1 -0.993 32.1-126.2-135.5 140.1 18.6 15.3 20.2 50 56 A A S S- 0 0 58 -2,-0.4 2,-0.3 -29,-0.2 3,-0.1 0.683 89.0 -8.9 -59.7 -20.0 17.6 13.0 23.0 51 57 A N S > S- 0 0 66 1,-0.2 4,-1.5 -29,-0.1 3,-0.2 -0.987 75.2 -92.0-170.1 166.8 20.3 14.5 25.2 52 58 A A H >> S+ 0 0 20 16,-0.3 3,-1.9 -2,-0.3 4,-1.9 0.958 115.0 62.0 -49.8 -64.8 23.4 16.7 25.4 53 59 A S H 3> S+ 0 0 65 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.802 106.4 45.4 -26.9 -62.3 25.9 13.9 24.8 54 60 A E H 3> S+ 0 0 89 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.851 111.2 54.6 -55.9 -37.9 24.4 13.3 21.3 55 61 A A H X<>S+ 0 0 0 -3,-1.9 5,-1.5 -4,-1.5 3,-0.9 0.972 109.6 45.2 -61.0 -54.9 24.4 17.0 20.7 56 62 A L H ><5S+ 0 0 73 -4,-1.9 3,-4.0 1,-0.3 -2,-0.2 0.972 108.4 57.8 -50.6 -57.0 28.1 17.3 21.4 57 63 A A H 3<5S+ 0 0 92 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.812 105.8 52.1 -42.4 -35.7 28.7 14.2 19.3 58 64 A A T <<5S- 0 0 47 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.278 126.0 -97.9 -89.8 10.6 27.1 16.2 16.5 59 65 A G T < 5S+ 0 0 64 -3,-4.0 2,-0.4 1,-0.3 -3,-0.2 0.729 79.4 129.9 85.4 22.7 29.2 19.3 16.8 60 66 A F < - 0 0 26 -5,-1.5 -1,-0.3 -4,-0.2 -30,-0.2 -0.922 44.2-148.2-111.8 132.8 27.0 21.6 18.9 61 67 A R E -d 30 0B 112 -32,-2.4 -30,-1.5 -2,-0.4 -9,-0.0 -0.732 31.6 -92.5 -98.2 150.6 28.4 23.3 21.9 62 68 A P E -d 31 0B 31 0, 0.0 -30,-0.2 0, 0.0 -1,-0.1 -0.195 40.2-103.0 -61.9 149.2 26.1 24.1 24.9 63 69 A C > - 0 0 14 -32,-1.6 4,-0.8 1,-0.1 6,-0.2 -0.404 20.0-137.9 -68.5 146.0 24.3 27.4 25.4 64 70 A K T 4 S+ 0 0 182 1,-0.2 -1,-0.1 2,-0.1 -32,-0.1 0.341 97.9 49.1 -87.8 7.1 25.9 29.8 27.9 65 71 A R T 4 S+ 0 0 176 -27,-0.0 -1,-0.2 0, 0.0 -28,-0.1 0.728 119.1 27.1-115.7 -31.0 22.5 30.7 29.3 66 72 A C T 4 S- 0 0 11 -30,-0.1 -2,-0.1 -33,-0.0 -31,-0.1 0.441 86.3-140.1-112.4 -3.7 20.7 27.5 30.0 67 73 A Q >< + 0 0 50 -4,-0.8 3,-0.9 1,-0.2 -3,-0.1 0.929 26.8 178.1 40.8 68.6 23.6 25.1 30.6 68 74 A P T 3 S+ 0 0 12 0, 0.0 -16,-0.3 0, 0.0 -1,-0.2 0.465 70.7 67.6 -79.0 0.1 22.0 22.2 28.8 69 75 A D T 3 S+ 0 0 93 -6,-0.2 2,-0.3 -17,-0.1 -16,-0.1 0.643 89.9 72.3 -92.7 -15.9 25.1 20.1 29.3 70 76 A K S < S- 0 0 59 -3,-0.9 -18,-0.1 1,-0.1 0, 0.0 -0.734 90.2-108.5 -97.7 147.9 24.6 19.9 33.1 71 77 A A - 0 0 66 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.063 57.1 -55.3 -68.1 174.3 21.8 17.7 34.5 72 78 A N >> - 0 0 63 1,-0.2 4,-0.6 -4,-0.1 3,-0.6 -0.322 44.6-141.9 -55.5 120.4 18.6 19.0 36.2 73 79 A P H 3> S+ 0 0 74 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.743 79.6 98.3 -53.6 -29.7 19.5 21.4 39.0 74 80 A R H 3> S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.797 89.6 31.8 -24.6 -75.2 16.7 20.0 41.1 75 81 A Q H <> S+ 0 0 113 -3,-0.6 4,-2.9 1,-0.2 -1,-0.2 0.914 116.7 57.1 -56.5 -49.4 18.7 17.6 43.2 76 82 A H H X S+ 0 0 117 -4,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.936 110.3 44.4 -48.4 -53.6 21.8 19.7 43.2 77 83 A R H X S+ 0 0 24 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.907 111.2 54.0 -59.7 -43.7 19.9 22.7 44.7 78 84 A L H X S+ 0 0 80 -4,-2.2 4,-1.9 -5,-0.4 -1,-0.2 0.894 105.2 53.7 -58.1 -41.4 18.1 20.3 47.2 79 85 A D H X S+ 0 0 90 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.879 105.1 57.4 -60.5 -36.8 21.5 19.1 48.3 80 86 A K H X S+ 0 0 37 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.946 106.5 45.6 -59.5 -52.8 22.5 22.7 49.0 81 87 A I H >X S+ 0 0 4 -4,-1.8 4,-2.8 1,-0.2 3,-0.5 0.971 108.1 55.8 -56.3 -58.3 19.6 23.5 51.4 82 88 A T H 3X S+ 0 0 78 -4,-1.9 4,-2.1 1,-0.3 -1,-0.2 0.879 109.2 47.9 -39.4 -51.9 20.1 20.3 53.4 83 89 A H H 3X S+ 0 0 96 -4,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.894 110.5 51.8 -60.5 -41.3 23.7 21.2 54.1 84 90 A A H < S+ 0 0 129 -4,-2.1 3,-1.1 -5,-0.2 -1,-0.2 0.881 108.7 53.3 -65.1 -38.4 22.9 21.4 59.2 87 93 A L H 3< S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.771 106.4 55.7 -68.3 -22.9 25.3 24.4 59.4 88 94 A L T 3< S+ 0 0 0 -4,-1.5 2,-2.1 -3,-0.4 -1,-0.2 0.568 78.7 96.4 -85.7 -8.3 22.5 26.4 61.0 89 95 A E < + 0 0 65 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.405 67.6 89.3 -83.3 64.4 22.0 23.9 63.9 90 96 A Q S S- 0 0 73 -2,-2.1 40,-0.2 2,-0.1 4,-0.1 -0.984 79.0-122.7-155.6 148.4 24.2 25.7 66.4 91 97 A E S S+ 0 0 125 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.929 90.4 84.7 -61.0 -48.2 23.7 28.5 68.9 92 98 A T S S- 0 0 91 1,-0.1 -2,-0.1 -3,-0.1 2,-0.0 -0.398 92.6-111.7 -60.9 123.9 26.3 30.8 67.5 93 99 A P - 0 0 87 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.263 24.2-152.5 -60.1 137.8 24.5 32.8 64.7 94 100 A V - 0 0 18 -4,-0.1 2,-0.2 -6,-0.1 32,-0.1 -0.971 15.0-136.0-114.9 123.6 25.5 32.2 61.1 95 101 A T > - 0 0 87 -2,-0.5 4,-2.9 1,-0.1 5,-0.2 -0.491 22.1-114.7 -78.8 150.6 25.0 35.2 58.7 96 102 A L H > S+ 0 0 51 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.830 117.9 54.1 -51.8 -35.0 23.4 34.6 55.3 97 103 A E H > S+ 0 0 153 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.934 109.3 44.1 -67.0 -48.8 26.8 35.7 53.8 98 104 A A H > S+ 0 0 40 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.910 117.8 47.7 -63.0 -39.7 28.9 33.1 55.7 99 105 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.965 110.3 50.2 -65.3 -51.1 26.2 30.5 54.9 100 106 A A H X>S+ 0 0 3 -4,-3.5 5,-1.8 -5,-0.2 4,-1.1 0.912 108.9 53.1 -53.5 -45.2 26.1 31.5 51.2 101 107 A D H ><5S+ 0 0 76 -4,-2.7 3,-0.8 3,-0.2 -1,-0.2 0.966 110.5 48.8 -53.4 -52.5 29.9 31.2 51.1 102 108 A Q H 3<5S+ 0 0 105 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.864 116.6 37.5 -57.2 -47.4 29.6 27.7 52.6 103 109 A V H 3<5S- 0 0 5 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.495 111.7-122.2 -83.6 -3.8 26.9 26.2 50.3 104 110 A A T <<5 + 0 0 70 -4,-1.1 2,-0.3 -3,-0.8 -3,-0.2 0.987 66.4 125.5 60.3 64.3 28.5 28.2 47.4 105 111 A X S > - 0 0 52 -2,-0.3 4,-2.4 1,-0.2 3,-0.6 -0.416 41.4-118.5 -60.8 136.6 24.9 33.9 45.9 107 113 A P H 3> S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.814 114.4 58.8 -49.6 -28.4 23.2 35.1 49.1 108 114 A F H 3> S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.956 109.3 40.6 -65.6 -49.9 20.2 36.1 46.9 109 115 A H H <> S+ 0 0 93 -3,-0.6 4,-2.9 2,-0.2 5,-0.3 0.895 114.0 52.7 -65.7 -43.3 19.7 32.5 45.5 110 116 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.958 111.5 45.7 -57.3 -53.3 20.4 30.8 48.8 111 117 A H H X S+ 0 0 72 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.912 115.5 46.8 -58.2 -44.4 17.8 32.9 50.7 112 118 A R H X S+ 0 0 149 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.902 116.5 43.3 -65.2 -42.8 15.2 32.5 47.9 113 119 A L H X S+ 0 0 43 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.926 111.5 54.4 -69.4 -43.8 15.7 28.8 47.6 114 120 A F H X>S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.3 5,-0.9 0.945 110.3 44.3 -56.5 -52.4 15.8 28.2 51.4 115 121 A K H <5S+ 0 0 121 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.769 115.6 52.2 -64.3 -22.9 12.5 29.9 52.1 116 122 A A H <5S+ 0 0 75 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.827 119.1 32.3 -80.0 -36.6 11.2 27.9 49.1 117 123 A T H <5S+ 0 0 64 -4,-2.7 -2,-0.2 -3,-0.2 -3,-0.2 0.894 132.4 27.6 -88.0 -47.2 12.4 24.5 50.3 118 124 A T T <5S- 0 0 37 -4,-3.2 -3,-0.2 2,-0.3 -2,-0.1 0.892 97.6-124.7 -84.7 -42.5 12.1 24.9 54.1 119 125 A G S - 0 0 42 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.434 40.1-108.7 -81.9 157.5 14.4 32.0 56.2 122 128 A P H > S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.911 121.4 56.2 -50.6 -41.5 17.7 30.6 57.2 123 129 A K H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.956 107.8 45.9 -55.7 -54.1 17.6 33.0 60.2 124 130 A A H > S+ 0 0 26 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.907 109.1 56.4 -55.4 -45.4 14.3 31.5 61.4 125 131 A W H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.895 108.5 46.4 -55.7 -42.7 15.5 28.0 60.9 126 132 A Q H X S+ 0 0 0 -4,-2.2 4,-2.1 -3,-0.3 -1,-0.2 0.896 114.3 48.4 -68.0 -37.6 18.5 28.7 63.2 127 133 A Q H X S+ 0 0 105 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.879 110.2 51.5 -67.3 -40.2 16.1 30.3 65.7 128 134 A A H X S+ 0 0 45 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.921 108.4 51.4 -63.7 -44.6 13.7 27.4 65.5 129 135 A W H < S+ 0 0 100 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.944 112.1 46.3 -57.7 -48.6 16.5 24.9 66.1 130 136 A R H < S+ 0 0 73 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.954 109.3 57.8 -56.7 -51.0 17.6 26.9 69.2 131 137 A A H < 0 0 84 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.935 360.0 360.0 -42.5 -67.7 14.0 27.1 70.3 132 138 A R < 0 0 125 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.908 360.0 360.0 -83.2 360.0 13.4 23.4 70.5