==== 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 DNA BINDING PROTEIN 28-NOV-01 1KGS . COMPND 2 MOLECULE: DNA BINDING RESPONSE REGULATOR D; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR D.R.BUCKLER,Y.ZHOU,A.M.STOCK . 219 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 18 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 2 0 0 2 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 A N 0 0 141 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 154.2 26.6 46.1 46.7 2 3 A V - 0 0 41 23,-0.1 25,-2.7 44,-0.1 2,-0.4 -0.452 360.0-155.9 -60.4 120.2 25.4 42.6 47.7 3 4 A R E -a 27 0A 108 -2,-0.3 44,-2.9 23,-0.2 45,-1.4 -0.876 11.6-171.1-110.4 134.6 25.5 40.3 44.7 4 5 A V E -ab 28 48A 0 23,-2.6 25,-2.4 -2,-0.4 2,-0.5 -0.950 11.2-152.9-124.4 138.5 23.5 37.2 44.0 5 6 A L E -ab 29 49A 0 43,-1.9 45,-3.1 -2,-0.4 2,-0.5 -0.948 10.9-165.7-105.1 129.7 23.8 34.6 41.3 6 7 A V E -ab 30 50A 0 23,-2.5 25,-2.6 -2,-0.5 2,-0.5 -0.982 5.8-176.2-114.4 122.7 20.6 32.7 40.4 7 8 A V E +ab 31 51A 1 43,-2.5 45,-1.5 -2,-0.5 2,-0.3 -0.954 26.2 137.3-121.5 109.3 21.0 29.6 38.3 8 9 A E - 0 0 2 23,-2.4 6,-0.1 -2,-0.5 47,-0.1 -0.938 40.6-156.5-156.6 126.6 17.6 28.1 37.4 9 10 A D S S+ 0 0 69 45,-0.4 2,-1.2 -2,-0.3 3,-0.1 0.667 78.6 85.7 -87.0 -17.4 16.4 26.7 34.0 10 11 A E S >> S- 0 0 112 1,-0.2 4,-2.7 2,-0.1 3,-0.7 -0.745 72.8-160.9 -79.4 99.2 12.7 27.2 34.6 11 12 A R H 3> S+ 0 0 146 -2,-1.2 4,-2.7 1,-0.3 5,-0.2 0.814 81.4 54.2 -63.3 -35.4 12.9 30.7 33.4 12 13 A D H 3> S+ 0 0 136 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.888 115.0 42.2 -65.3 -35.5 9.7 32.1 34.9 13 14 A L H <> S+ 0 0 28 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.914 113.4 52.5 -74.2 -42.5 10.9 30.9 38.3 14 15 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.914 113.5 44.2 -55.4 -46.4 14.4 32.1 37.7 15 16 A D H X S+ 0 0 56 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.833 109.3 55.9 -73.1 -33.6 13.1 35.5 36.8 16 17 A L H X S+ 0 0 93 -4,-1.6 4,-2.6 -5,-0.2 5,-0.2 0.964 112.5 42.8 -59.6 -50.6 10.6 35.6 39.7 17 18 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.943 116.0 49.1 -60.1 -45.7 13.5 35.0 42.1 18 19 A T H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.944 115.1 41.8 -62.0 -49.4 15.7 37.5 40.3 19 20 A E H X S+ 0 0 104 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.879 111.8 55.4 -70.0 -34.0 13.2 40.3 40.1 20 21 A A H X S+ 0 0 14 -4,-2.6 4,-0.7 -5,-0.3 -1,-0.2 0.920 112.0 44.4 -62.8 -43.1 12.0 39.7 43.7 21 22 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.9 -5,-0.2 3,-1.0 0.911 109.8 54.7 -68.2 -41.1 15.6 40.1 44.9 22 23 A K H ><5S+ 0 0 89 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.868 101.0 60.6 -58.8 -33.3 16.2 43.2 42.6 23 24 A K H 3<5S+ 0 0 168 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.767 103.1 51.1 -65.5 -25.7 13.1 44.8 44.3 24 25 A E T <<5S- 0 0 95 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.240 126.5-104.3 -92.4 7.8 15.0 44.5 47.6 25 26 A X T < 5S+ 0 0 145 -3,-2.0 -3,-0.2 1,-0.3 2,-0.1 0.507 71.2 145.0 79.7 13.3 18.0 46.2 46.0 26 27 A F < - 0 0 21 -5,-1.9 2,-0.6 -8,-0.1 -1,-0.3 -0.476 52.7-124.2 -68.8 152.3 20.2 43.2 45.6 27 28 A T E -a 3 0A 48 -25,-2.7 -23,-2.6 -2,-0.1 2,-0.4 -0.889 40.4-171.8 -96.4 123.4 22.4 43.2 42.5 28 29 A V E -a 4 0A 13 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.943 24.9-166.5-129.3 137.6 21.5 40.0 40.7 29 30 A D E -a 5 0A 51 -25,-2.4 -23,-2.5 -2,-0.4 2,-0.4 -0.968 18.1-156.6-113.4 136.8 22.8 38.0 37.7 30 31 A V E -a 6 0A 37 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.926 10.6-174.8-120.4 138.8 20.6 35.2 36.4 31 32 A C E -a 7 0A 2 -25,-2.6 -23,-2.4 -2,-0.4 3,-0.0 -0.974 14.1-159.1-129.2 142.5 21.7 32.1 34.3 32 33 A Y S S+ 0 0 47 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.292 73.7 34.7-110.9 7.2 19.2 29.6 32.8 33 34 A D S > S- 0 0 35 22,-0.1 4,-1.9 -25,-0.1 24,-0.1 -0.970 80.5-111.4-151.6 165.6 21.6 26.6 32.4 34 35 A G H > S+ 0 0 0 22,-2.2 4,-1.8 -2,-0.3 23,-0.2 0.575 108.7 64.0 -76.4 -11.8 24.5 25.0 34.2 35 36 A E H > S+ 0 0 129 21,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.971 114.2 30.1 -72.9 -58.5 27.0 25.9 31.5 36 37 A E H > S+ 0 0 106 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.884 121.4 57.5 -66.9 -34.9 26.7 29.7 31.9 37 38 A G H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.931 107.0 45.8 -62.3 -45.2 25.9 29.0 35.6 38 39 A X H X S+ 0 0 19 -4,-1.8 4,-2.0 2,-0.2 5,-0.3 0.933 111.5 52.4 -63.3 -44.0 29.1 27.1 36.2 39 40 A Y H X S+ 0 0 118 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.947 114.5 41.8 -57.7 -50.9 31.1 29.8 34.4 40 41 A X H X S+ 0 0 35 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.923 111.9 54.5 -63.0 -42.5 29.7 32.6 36.5 41 42 A A H < S+ 0 0 3 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.822 117.7 35.6 -63.8 -32.5 29.9 30.7 39.8 42 43 A L H < S+ 0 0 53 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.786 126.8 33.4 -89.3 -26.9 33.6 30.0 39.3 43 44 A N H < S+ 0 0 98 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.603 106.3 57.0-112.9 -14.5 34.7 33.2 37.6 44 45 A E S < S- 0 0 96 -4,-2.2 2,-0.2 -5,-0.2 -1,-0.1 -0.968 81.7-111.4-124.3 135.8 32.7 36.2 39.0 45 46 A P + 0 0 102 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.472 40.0 168.8 -72.8 133.8 32.4 37.3 42.6 46 47 A F - 0 0 16 -2,-0.2 -42,-0.2 -5,-0.1 3,-0.1 -0.928 36.9-142.0-131.8 163.0 29.1 36.9 44.4 47 48 A D S S+ 0 0 76 -44,-2.9 2,-0.3 1,-0.4 -43,-0.2 0.721 91.6 7.6 -92.3 -28.5 28.0 37.1 48.0 48 49 A V E -b 4 0A 0 -45,-1.4 -43,-1.9 26,-0.1 2,-0.4 -0.986 65.7-152.5-151.6 145.5 25.5 34.3 47.7 49 50 A V E -bc 5 76A 2 26,-2.4 28,-2.4 -2,-0.3 2,-0.5 -0.984 5.0-159.5-122.4 131.0 24.7 31.8 44.9 50 51 A I E +bc 6 77A 0 -45,-3.1 -43,-2.5 -2,-0.4 2,-0.4 -0.959 18.3 177.5-112.6 121.7 21.3 30.1 44.4 51 52 A L E -bc 7 78A 0 26,-2.3 28,-3.0 -2,-0.5 2,-0.4 -0.965 27.9-131.1-125.8 140.5 21.3 26.9 42.4 52 53 A D E - c 0 79A 5 -45,-1.5 8,-0.6 -2,-0.4 28,-0.2 -0.733 21.8-131.4 -80.2 138.6 18.7 24.4 41.4 53 54 A I S S+ 0 0 14 26,-2.6 7,-1.1 -2,-0.4 2,-0.6 0.878 99.2 56.1 -54.4 -36.1 19.6 20.8 42.2 54 55 A X + 0 0 110 25,-0.3 -45,-0.4 5,-0.2 -1,-0.1 -0.899 69.2 144.3-103.5 121.3 18.6 20.1 38.6 55 56 A L - 0 0 17 -2,-0.6 -22,-0.1 -47,-0.1 2,-0.1 -0.983 48.4-102.4-148.7 149.7 20.2 22.0 35.8 56 57 A P S S+ 0 0 58 0, 0.0 2,-2.3 0, 0.0 -22,-2.2 -0.406 98.4 4.2 -70.7 150.6 21.2 21.2 32.2 57 58 A V S S+ 0 0 89 -23,-0.2 2,-0.4 -24,-0.1 -24,-0.0 -0.380 140.5 23.3 75.4 -62.1 24.9 20.6 31.4 58 59 A H S S- 0 0 54 -2,-2.3 -20,-0.1 4,-0.0 -21,-0.1 -0.966 82.4-141.0-134.3 121.6 26.0 20.9 35.0 59 60 A D > - 0 0 61 -2,-0.4 4,-2.5 1,-0.1 -5,-0.2 -0.148 33.2 -96.1 -75.9 170.6 23.6 20.3 37.9 60 61 A G H > S+ 0 0 0 -7,-1.1 4,-2.6 -8,-0.6 -7,-0.2 0.890 123.8 50.2 -57.4 -43.5 23.6 22.2 41.1 61 62 A W H > S+ 0 0 78 -8,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.894 109.1 52.5 -62.6 -38.9 25.7 19.8 43.0 62 63 A E H > S+ 0 0 82 -9,-0.2 4,-2.5 2,-0.2 5,-0.2 0.937 111.3 47.0 -61.7 -42.8 28.3 19.7 40.2 63 64 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.945 112.5 49.2 -64.6 -47.7 28.5 23.5 40.4 64 65 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.932 112.3 47.8 -56.1 -49.4 28.8 23.6 44.1 65 66 A K H X S+ 0 0 73 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.908 111.6 49.8 -59.1 -43.4 31.5 21.0 44.1 66 67 A S H X S+ 0 0 27 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.884 109.9 52.2 -62.9 -40.4 33.5 22.8 41.4 67 68 A X H <>S+ 0 0 0 -4,-2.4 5,-2.9 -5,-0.2 3,-0.5 0.981 113.8 41.9 -58.0 -56.2 33.2 26.1 43.3 68 69 A R H ><5S+ 0 0 68 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.902 112.2 54.3 -61.6 -39.8 34.6 24.5 46.5 69 70 A E H 3<5S+ 0 0 154 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.806 110.4 49.0 -63.4 -29.5 37.3 22.6 44.6 70 71 A S T 3<5S- 0 0 78 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.288 123.0-103.3 -90.9 2.3 38.3 25.9 43.1 71 72 A G T < 5S+ 0 0 54 -3,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.715 76.4 137.9 82.8 17.8 38.5 27.8 46.4 72 73 A V < + 0 0 33 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.896 23.1 174.2 -98.3 108.2 35.2 29.6 45.9 73 74 A N + 0 0 115 -2,-0.8 -1,-0.1 -3,-0.1 3,-0.1 0.282 21.1 143.7-101.4 9.2 33.6 29.4 49.3 74 75 A T - 0 0 28 -33,-0.1 -26,-0.1 1,-0.1 -27,-0.1 -0.172 60.9 -98.3 -48.5 135.9 30.5 31.7 48.7 75 76 A P - 0 0 8 0, 0.0 -26,-2.4 0, 0.0 2,-0.4 -0.260 38.7-150.8 -64.0 140.9 27.5 30.4 50.4 76 77 A V E -c 49 0A 0 -28,-0.2 22,-1.5 -3,-0.1 21,-0.8 -0.962 11.3-160.9-117.7 128.0 25.1 28.4 48.3 77 78 A L E -cd 50 98A 0 -28,-2.4 -26,-2.3 -2,-0.4 2,-0.6 -0.954 19.3-153.0-100.5 117.5 21.3 28.0 48.7 78 79 A X E -cd 51 99A 0 20,-2.5 22,-2.7 -2,-0.6 2,-0.5 -0.860 4.2-146.3 -98.6 120.4 20.2 24.9 46.9 79 80 A L E +cd 52 100A 0 -28,-3.0 -26,-2.6 -2,-0.6 -25,-0.3 -0.765 35.8 168.5 -80.4 125.7 16.6 24.8 45.5 80 81 A T E - d 0 101A 0 20,-1.9 22,-2.0 -2,-0.5 3,-0.1 -0.779 50.0-129.3-133.3 176.6 15.4 21.2 45.8 81 82 A A S S+ 0 0 63 -2,-0.2 2,-0.2 20,-0.2 -1,-0.1 0.811 94.5 31.6 -90.5 -39.6 12.5 18.8 45.6 82 83 A L S S- 0 0 56 1,-0.1 2,-0.1 19,-0.1 18,-0.1 -0.608 90.1 -92.9-114.2 170.9 13.3 17.1 48.9 83 84 A S > - 0 0 38 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.379 39.3-108.5 -76.3 162.7 14.8 18.0 52.3 84 85 A D H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.914 122.7 52.0 -56.8 -45.7 18.5 17.5 53.0 85 86 A V H > S+ 0 0 100 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.921 106.8 52.8 -57.3 -48.0 17.6 14.7 55.3 86 87 A E H > S+ 0 0 97 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.897 113.2 44.1 -56.5 -42.4 15.5 13.0 52.5 87 88 A Y H >X>S+ 0 0 20 -4,-2.2 5,-2.7 2,-0.2 4,-0.9 0.919 111.8 52.9 -67.1 -43.2 18.5 13.2 50.2 88 89 A R H ><5S+ 0 0 125 -4,-2.8 3,-1.1 1,-0.3 -2,-0.2 0.917 105.4 53.2 -61.9 -42.2 20.9 12.0 52.8 89 90 A V H 3<5S+ 0 0 119 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.770 108.9 51.4 -64.1 -25.4 18.8 8.9 53.6 90 91 A K H <<5S- 0 0 156 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.647 127.8 -99.8 -81.9 -15.6 18.9 8.2 49.8 91 92 A G T <<5S+ 0 0 70 -3,-1.1 2,-0.6 -4,-0.9 -3,-0.2 0.465 84.2 122.8 107.8 7.8 22.7 8.5 49.8 92 93 A L < + 0 0 45 -5,-2.7 2,-0.6 -6,-0.1 -1,-0.2 -0.913 29.7 174.9-108.1 112.0 23.1 12.0 48.4 93 94 A N + 0 0 81 -2,-0.6 -8,-0.0 1,-0.1 -9,-0.0 -0.897 2.3 172.1-115.5 97.6 25.1 14.4 50.6 94 95 A X - 0 0 8 -2,-0.6 -1,-0.1 -10,-0.1 -10,-0.0 0.730 28.9-143.6 -84.8 -23.5 25.6 17.7 48.8 95 96 A G + 0 0 50 1,-0.2 2,-0.1 2,-0.0 -2,-0.0 0.758 38.3 160.1 64.7 28.0 27.1 19.9 51.5 96 97 A A - 0 0 14 1,-0.1 -1,-0.2 -21,-0.1 -19,-0.1 -0.380 50.3-119.3 -72.5 161.3 25.3 23.1 50.4 97 98 A D S S- 0 0 73 -21,-0.8 2,-0.3 1,-0.2 -20,-0.2 0.832 90.2 -3.6 -73.3 -29.7 25.0 25.8 53.0 98 99 A D E -d 77 0A 38 -22,-1.5 -20,-2.5 2,-0.0 2,-0.4 -0.981 63.4-145.7-157.1 160.2 21.3 25.7 53.0 99 100 A Y E -d 78 0A 17 -2,-0.3 -20,-0.2 -22,-0.2 -15,-0.1 -0.984 3.2-165.4-132.4 140.5 18.4 24.0 51.1 100 101 A L E -d 79 0A 5 -22,-2.7 -20,-1.9 -2,-0.4 2,-0.1 -0.893 16.1-155.2-128.1 95.9 15.0 25.3 50.1 101 102 A P E -d 80 0A 45 0, 0.0 -20,-0.2 0, 0.0 -19,-0.1 -0.420 34.1 -76.8 -70.4 149.4 12.6 22.5 49.1 102 103 A K S S+ 0 0 80 -22,-2.0 2,-0.1 -2,-0.1 3,-0.0 -0.672 106.2 51.9 -86.3 142.6 9.8 23.3 46.8 103 104 A P S S+ 0 0 130 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.483 78.0 152.5 -88.7 154.5 7.2 24.6 47.3 104 105 A F - 0 0 51 -4,-0.1 2,-0.4 -2,-0.1 -2,-0.1 -0.915 44.0-114.0-141.8 163.8 8.4 27.7 49.0 105 106 A D >> - 0 0 84 -2,-0.3 4,-2.1 1,-0.1 3,-0.5 -0.785 24.3-131.3 -90.6 136.7 7.4 31.3 49.6 106 107 A L H 3> S+ 0 0 42 -2,-0.4 4,-2.8 1,-0.3 5,-0.2 0.855 110.8 62.1 -57.6 -34.5 9.6 33.9 48.0 107 108 A R H 3> S+ 0 0 200 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.916 104.4 48.1 -57.8 -41.8 9.6 35.5 51.5 108 109 A E H <> S+ 0 0 82 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.922 109.2 52.1 -66.9 -44.2 11.3 32.4 52.8 109 110 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.945 111.3 47.5 -55.3 -49.5 13.9 32.3 50.0 110 111 A I H X S+ 0 0 20 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.914 111.0 50.8 -61.7 -42.1 14.8 36.0 50.7 111 112 A A H X S+ 0 0 48 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.904 110.1 50.0 -57.9 -43.1 15.1 35.3 54.4 112 113 A R H X S+ 0 0 65 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.887 110.0 51.0 -66.2 -38.7 17.4 32.3 53.7 113 114 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.937 110.3 49.5 -60.7 -45.4 19.5 34.4 51.5 114 115 A R H X S+ 0 0 87 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.867 109.1 51.4 -65.6 -35.8 19.8 37.1 54.1 115 116 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.916 108.1 51.7 -67.0 -40.5 20.8 34.6 56.8 116 117 A L H X S+ 0 0 7 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.917 111.3 49.4 -61.4 -40.1 23.5 33.1 54.5 117 118 A I H X S+ 0 0 28 -4,-2.1 4,-1.1 1,-0.2 3,-0.3 0.945 113.1 44.3 -63.5 -50.0 24.9 36.7 54.0 118 119 A R H < S+ 0 0 41 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.885 113.5 50.2 -67.1 -35.8 24.9 37.6 57.7 119 120 A R H < S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.780 116.9 40.3 -73.4 -26.9 26.4 34.3 58.8 120 121 A K H < S+ 0 0 70 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.495 86.2 115.6-101.0 -4.4 29.2 34.5 56.3 121 122 A S < - 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