==== 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 TRANSCRIPTION REGULATOR 18-SEP-09 3JXB . COMPND 2 MOLECULE: 5'-D(*CP*AP*TP*TP*TP*AP*AP*GP*AP*CP*GP*TP*CP*TP*T . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.WATKINS,G.B.KOUDELKA,L.D.WILLIAMS . 132 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 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 . 0 0.0 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 51.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 6.1 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 0 0 2 0 4 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 C N 0 0 144 0, 0.0 7,-0.0 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 -83.0 16.5 -21.2 2.6 2 3 C T + 0 0 131 64,-0.1 3,-0.1 2,-0.1 64,-0.1 0.309 360.0 101.7-114.5 8.5 12.7 -20.9 3.3 3 4 C Q S S- 0 0 95 1,-0.2 2,-0.2 2,-0.1 3,-0.0 -0.084 83.8 -83.3 -73.4-178.9 12.6 -17.6 5.2 4 5 C L >> - 0 0 96 1,-0.1 4,-1.6 34,-0.1 3,-0.8 -0.624 34.3-114.3 -86.3 154.8 11.5 -14.4 3.6 5 6 C M H 3> S+ 0 0 10 59,-0.3 4,-2.5 1,-0.2 3,-0.2 0.903 117.9 59.1 -49.0 -43.7 14.0 -12.3 1.6 6 7 C G H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.840 102.3 51.7 -58.2 -37.8 13.6 -9.6 4.3 7 8 C E H <> S+ 0 0 88 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.872 110.7 48.2 -66.0 -38.7 14.8 -12.0 7.0 8 9 C R H X S+ 0 0 5 -4,-1.6 4,-1.9 -3,-0.2 -2,-0.2 0.877 111.3 50.5 -70.6 -38.6 17.9 -12.9 4.9 9 10 C I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.946 113.1 45.0 -62.2 -49.2 18.7 -9.2 4.3 10 11 C R H X S+ 0 0 82 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.915 111.6 52.6 -64.0 -41.6 18.4 -8.3 8.0 11 12 C A H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.900 113.6 43.2 -61.9 -40.4 20.5 -11.4 9.1 12 13 C R H X S+ 0 0 75 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.867 112.9 51.6 -77.6 -35.3 23.3 -10.5 6.7 13 14 C R H <>S+ 0 0 20 -4,-2.6 5,-2.1 2,-0.2 4,-0.5 0.939 113.3 45.6 -60.6 -46.8 23.2 -6.7 7.5 14 15 C K H ><5S+ 0 0 125 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.870 109.3 54.4 -67.6 -35.7 23.4 -7.5 11.2 15 16 C K H 3<5S+ 0 0 175 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.897 110.5 46.8 -63.9 -38.3 26.2 -10.1 10.7 16 17 C L T 3<5S- 0 0 90 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.528 111.8-126.7 -80.1 -7.2 28.2 -7.3 8.9 17 18 C K T < 5 + 0 0 189 -3,-0.7 2,-0.4 -4,-0.5 -3,-0.2 0.879 57.9 147.8 62.2 41.0 27.3 -4.9 11.8 18 19 C I < - 0 0 30 -5,-2.1 -1,-0.2 -6,-0.1 2,-0.1 -0.872 43.9-131.3-104.8 136.3 25.9 -2.3 9.4 19 20 C R > - 0 0 199 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.496 25.8-110.9 -79.6 162.2 23.0 -0.0 10.4 20 21 C Q H > S+ 0 0 46 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.931 118.4 50.2 -59.5 -45.7 20.0 0.4 8.1 21 22 C A H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 111.1 48.4 -63.0 -41.9 20.9 4.0 7.3 22 23 C A H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.890 111.9 49.5 -63.1 -42.1 24.5 3.1 6.5 23 24 C L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.897 107.5 55.5 -63.8 -41.7 23.3 0.2 4.3 24 25 C G H X>S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-2.5 0.907 106.9 50.2 -53.0 -49.5 20.9 2.7 2.6 25 26 C K H <5S+ 0 0 175 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.854 110.6 49.0 -55.8 -41.9 23.9 5.0 1.8 26 27 C M H <5S+ 0 0 106 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 118.6 39.4 -67.3 -32.6 25.9 2.1 0.3 27 28 C V H <5S- 0 0 13 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.760 112.9-112.3 -92.4 -31.1 23.0 0.9 -1.9 28 29 C G T <5S+ 0 0 64 -4,-2.8 2,-0.3 1,-0.4 -3,-0.2 0.734 80.1 99.5 99.4 29.8 21.7 4.3 -2.9 29 30 C V S - 0 0 66 -2,-0.3 4,-1.5 1,-0.1 3,-0.3 -0.332 36.4-112.6 -71.9 160.0 16.9 5.7 2.2 31 32 C N H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.823 118.7 61.6 -55.9 -31.1 17.1 3.9 5.6 32 33 C V H > S+ 0 0 71 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.894 99.2 53.6 -67.1 -40.4 13.3 3.6 5.3 33 34 C A H > S+ 0 0 13 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.920 107.9 50.4 -58.9 -45.4 13.7 1.5 2.1 34 35 C I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.935 111.3 49.0 -57.5 -46.7 16.1 -0.8 3.9 35 36 C S H X S+ 0 0 24 -4,-2.2 4,-2.4 1,-0.2 6,-0.3 0.923 110.3 50.9 -57.9 -46.4 13.5 -1.2 6.8 36 37 C Q H <>S+ 0 0 54 -4,-2.9 5,-2.6 1,-0.2 6,-1.0 0.918 111.6 47.8 -59.3 -44.6 10.7 -1.9 4.2 37 38 C W H ><5S+ 0 0 11 -4,-2.6 3,-1.3 3,-0.2 -1,-0.2 0.927 111.9 49.3 -60.8 -44.7 12.8 -4.6 2.6 38 39 C E H 3<5S+ 0 0 7 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.860 113.2 45.9 -68.4 -33.2 13.7 -6.2 5.9 39 40 C R T 3<5S- 0 0 116 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.357 113.2-119.0 -89.6 7.3 10.1 -6.3 7.1 40 41 C S T < 5S+ 0 0 54 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.761 75.6 131.1 58.5 27.3 8.9 -7.6 3.7 41 42 C E S -A 111 0A 70 66,-0.2 4,-2.7 67,-0.1 5,-0.2 -0.043 41.4 -84.0 -70.2-176.8 13.7 -3.2 -7.6 46 47 C G H > S+ 0 0 3 64,-1.1 4,-1.9 1,-0.2 5,-0.2 0.950 127.8 42.1 -57.8 -55.8 16.3 -4.5 -10.2 47 48 C E H > S+ 0 0 113 1,-0.2 4,-2.1 63,-0.2 -1,-0.2 0.900 118.6 46.9 -57.9 -45.1 19.0 -1.8 -9.8 48 49 C N H > S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.851 106.6 56.0 -72.0 -32.6 18.6 -1.9 -6.0 49 50 C L H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.914 111.0 45.2 -63.1 -43.5 18.6 -5.6 -5.6 50 51 C L H X S+ 0 0 7 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.915 114.2 48.3 -68.7 -38.3 22.0 -5.8 -7.4 51 52 C A H X S+ 0 0 29 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.908 112.7 49.4 -65.7 -42.8 23.4 -2.9 -5.4 52 53 C L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.916 108.3 53.2 -60.7 -43.1 22.1 -4.5 -2.2 53 54 C S H X>S+ 0 0 3 -4,-2.6 5,-2.1 1,-0.2 4,-0.5 0.880 110.5 47.0 -62.4 -38.8 23.7 -7.8 -3.1 54 55 C K H ><5S+ 0 0 101 -4,-1.9 3,-0.6 2,-0.2 -1,-0.2 0.901 110.6 52.0 -69.4 -39.6 27.1 -6.1 -3.6 55 56 C A H 3<5S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.847 117.9 38.3 -64.8 -34.6 26.8 -4.2 -0.4 56 57 C L H 3<5S- 0 0 9 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.426 106.7-127.1 -94.0 -0.8 26.1 -7.5 1.5 57 58 C Q T <<5 + 0 0 178 -3,-0.6 2,-0.3 -4,-0.5 -3,-0.2 0.907 69.5 113.3 48.3 49.5 28.5 -9.6 -0.5 58 59 C C S - 0 0 54 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.538 28.6-125.8 -75.0 149.0 24.4 -13.3 -4.6 60 61 C P H > S+ 0 0 19 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.863 112.8 58.5 -57.5 -33.2 21.1 -11.7 -5.6 61 62 C D H >>S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 6,-1.0 0.882 102.3 53.1 -68.6 -36.1 19.7 -15.2 -5.9 62 63 C Y H >5S+ 0 0 57 5,-0.3 4,-1.7 4,-0.2 -1,-0.2 0.950 113.4 42.6 -58.9 -50.5 20.5 -16.0 -2.2 63 64 C L H <5S+ 0 0 0 -4,-1.8 -55,-0.2 1,-0.2 -2,-0.2 0.951 119.5 43.0 -60.4 -50.5 18.7 -12.9 -1.1 64 65 C L H <5S+ 0 0 25 -4,-2.9 -59,-0.3 -5,-0.2 -2,-0.2 0.918 137.6 4.0 -62.5 -48.2 15.7 -13.4 -3.3 65 66 C K H <5S- 0 0 119 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.502 89.7-116.1-122.3 -11.3 15.1 -17.1 -2.9 66 67 C G << 0 0 11 -4,-1.7 -4,-0.2 -5,-0.8 -3,-0.1 0.621 360.0 360.0 79.1 13.8 17.6 -18.4 -0.4 67 68 C D 0 0 116 -6,-1.0 -5,-0.3 -66,-0.0 -6,-0.1 0.070 360.0 360.0-121.9 360.0 19.3 -20.6 -3.0 68 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 69 4 D Q 0 0 155 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 126.1 22.8 2.5 -24.4 70 5 D L >> - 0 0 98 1,-0.1 4,-1.3 34,-0.1 3,-0.8 -0.380 360.0-117.2 -77.8 154.3 19.7 1.8 -22.4 71 6 D M H 3> S+ 0 0 13 1,-0.2 4,-2.4 59,-0.2 3,-0.3 0.884 115.2 61.6 -52.8 -42.8 19.1 -1.5 -20.6 72 7 D G H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.831 100.1 53.5 -54.6 -37.5 16.0 -2.0 -22.9 73 8 D E H <> S+ 0 0 104 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.884 109.0 48.7 -66.5 -38.5 18.2 -1.9 -25.9 74 9 D R H X S+ 0 0 11 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.879 110.0 52.2 -66.3 -39.9 20.3 -4.7 -24.5 75 10 D I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.958 112.2 45.3 -61.4 -51.4 17.2 -6.8 -23.6 76 11 D R H X S+ 0 0 92 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.914 112.5 51.2 -58.0 -45.1 15.9 -6.4 -27.2 77 12 D A H X S+ 0 0 49 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.894 112.6 45.8 -59.6 -41.6 19.4 -7.3 -28.7 78 13 D R H X S+ 0 0 61 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.893 111.9 51.4 -71.0 -40.3 19.7 -10.4 -26.6 79 14 D R H X>S+ 0 0 31 -4,-2.6 5,-1.6 1,-0.2 4,-0.7 0.921 110.2 49.3 -60.0 -44.1 16.1 -11.5 -27.3 80 15 D K H ><5S+ 0 0 135 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.857 107.1 55.1 -63.5 -35.7 16.8 -11.1 -31.1 81 16 D K H 3<5S+ 0 0 159 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 108.0 49.4 -63.0 -39.1 20.0 -13.1 -30.7 82 17 D L H 3<5S- 0 0 60 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.598 109.1-131.8 -74.6 -12.5 17.9 -15.9 -29.2 83 18 D K T <<5 + 0 0 184 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.2 0.835 58.4 135.1 65.5 36.7 15.5 -15.6 -32.1 84 19 D I < - 0 0 48 -5,-1.6 -1,-0.2 1,-0.0 -2,-0.1 -0.854 54.0-116.0-120.1 154.1 12.4 -15.4 -29.9 85 20 D R > - 0 0 198 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.362 33.1-108.5 -75.5 160.0 9.2 -13.4 -29.8 86 21 D Q H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.903 119.1 53.6 -57.3 -42.7 8.3 -11.1 -26.8 87 22 D A H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 107.8 51.1 -61.3 -38.7 5.5 -13.4 -25.7 88 23 D A H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 111.8 46.5 -65.7 -42.9 8.0 -16.4 -25.6 89 24 D L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.925 110.7 54.2 -64.6 -42.6 10.4 -14.4 -23.5 90 25 D G H X>S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-2.2 0.919 107.1 50.0 -54.3 -49.1 7.6 -13.4 -21.2 91 26 D K H <5S+ 0 0 176 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.909 111.0 49.9 -57.6 -45.0 6.6 -17.0 -20.7 92 27 D M H <5S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.902 117.4 39.5 -57.9 -45.2 10.2 -17.9 -19.8 93 28 D V H <5S- 0 0 13 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.793 112.7-113.9 -78.7 -28.9 10.5 -15.0 -17.3 94 29 D G T <5S+ 0 0 62 -4,-2.9 2,-0.3 1,-0.4 -3,-0.2 0.726 79.8 101.8 93.2 30.9 7.0 -15.3 -15.8 95 30 D V S - 0 0 64 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.278 35.4-113.2 -71.7 162.2 3.3 -10.8 -19.9 97 32 D N H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.876 119.6 59.7 -56.2 -37.4 4.5 -10.0 -23.4 98 33 D V H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.897 99.3 55.4 -63.4 -41.5 3.6 -6.4 -22.6 99 34 D A H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.918 106.8 50.6 -53.8 -46.0 6.0 -6.3 -19.7 100 35 D I H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.939 111.1 49.0 -58.8 -45.3 8.8 -7.4 -22.2 101 36 D S H X S+ 0 0 23 -4,-2.2 4,-2.1 2,-0.2 6,-0.3 0.900 109.9 51.2 -57.9 -47.1 7.7 -4.5 -24.5 102 37 D Q H <>S+ 0 0 53 -4,-2.9 5,-2.2 1,-0.2 6,-1.1 0.915 112.9 45.8 -61.3 -42.7 7.8 -2.0 -21.7 103 38 D W H ><5S+ 0 0 13 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.941 112.0 50.0 -65.9 -45.8 11.3 -3.1 -20.6 104 39 D E H 3<5S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.833 114.5 44.5 -62.7 -34.3 12.7 -3.1 -24.2 105 40 D R T 3<5S- 0 0 119 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.344 113.0-118.6 -88.5 0.5 11.3 0.4 -24.8 106 41 D S T < 5S+ 0 0 53 -3,-1.4 -3,-0.2 -4,-0.3 -4,-0.1 0.722 76.0 131.1 64.3 24.3 12.5 1.7 -21.4 107 42 D E S -A 45 0A 67 -66,-0.2 4,-2.7 -65,-0.1 5,-0.2 -0.041 41.2 -83.3 -72.6-174.3 11.8 -5.4 -10.6 112 47 D G H > S+ 0 0 2 -68,-1.0 4,-2.1 1,-0.2 5,-0.2 0.961 127.8 41.1 -61.6 -55.0 14.3 -7.5 -8.6 113 48 D E H > S+ 0 0 99 1,-0.2 4,-2.2 -69,-0.2 -1,-0.2 0.900 117.9 47.6 -63.0 -40.4 12.8 -10.9 -9.1 114 49 D N H > S+ 0 0 29 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.855 107.7 55.7 -71.1 -35.7 12.0 -10.3 -12.8 115 50 D L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.937 110.2 45.6 -61.6 -43.6 15.5 -8.9 -13.5 116 51 D L H X S+ 0 0 4 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.928 115.3 46.6 -67.5 -40.5 17.1 -12.1 -12.2 117 52 D A H X S+ 0 0 31 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.890 112.5 50.8 -63.7 -42.4 14.7 -14.3 -14.2 118 53 D L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.901 107.1 53.1 -61.9 -43.5 15.2 -12.2 -17.3 119 54 D S H <>S+ 0 0 4 -4,-2.4 5,-2.4 1,-0.2 4,-0.4 0.872 110.1 48.5 -60.2 -39.5 19.0 -12.5 -17.0 120 55 D K H ><5S+ 0 0 113 -4,-1.6 3,-0.7 3,-0.2 -1,-0.2 0.909 111.9 48.5 -66.0 -43.7 18.7 -16.3 -16.8 121 56 D A H 3<5S+ 0 0 10 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.837 115.7 44.8 -63.1 -35.1 16.4 -16.4 -19.9 122 57 D L T 3<5S- 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.412 109.2-126.0 -93.2 -0.4 18.8 -14.1 -21.8 123 58 D Q T < 5S+ 0 0 141 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.865 73.3 98.4 59.6 43.8 21.9 -16.1 -20.7 124 59 D C S - 0 0 53 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.495 30.6-122.8 -81.3 153.3 24.4 -11.4 -15.9 126 61 D P H > S+ 0 0 16 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.896 114.9 58.3 -59.4 -34.5 22.0 -8.9 -14.4 127 62 D D H >>S+ 0 0 33 1,-0.2 4,-3.0 2,-0.2 6,-0.8 0.897 101.2 55.0 -63.6 -38.0 24.9 -6.4 -14.4 128 63 D Y H >5S+ 0 0 67 4,-0.2 4,-2.3 5,-0.2 -1,-0.2 0.947 112.0 43.2 -55.4 -49.5 25.2 -6.8 -18.1 129 64 D L H <5S+ 0 0 0 -4,-1.7 -55,-0.2 1,-0.2 -2,-0.2 0.958 117.9 44.9 -63.8 -48.5 21.5 -5.8 -18.6 130 65 D L H <5S+ 0 0 32 -4,-2.9 -59,-0.2 1,-0.2 -2,-0.2 0.894 136.6 4.6 -63.9 -45.3 21.6 -3.0 -16.1 131 66 D K H <5S- 0 0 110 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.411 94.3-105.7-129.6 1.6 24.8 -1.3 -17.1 132 67 D G << 0 0 30 -4,-2.3 -4,-0.2 -5,-0.6 -3,-0.1 0.519 360.0 360.0 80.1 -7.2 26.3 -3.0 -20.2 133 68 D D 0 0 130 -6,-0.8 -5,-0.2 -7,-0.1 -6,-0.1 0.229 360.0 360.0 165.4 360.0 28.6 -4.4 -17.7