==== 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 VIRAL PROTEIN 20-MAY-04 1TBX . COMPND 2 MOLECULE: HYPOTHETICAL 11.0 KDA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS VIRUS 1; . AUTHOR P.KRAFT,A.OECKINGHAUS,D.KUMMEL,G.H.GAUSS,B.WIEDENHEFT,M.YOUN . 184 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 77.2 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 . 19 10.3 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 1.1 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 . 6 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 50.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 0 0 3 0 1 0 2 0 0 0 0 0 0 1 0 0 0 1 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 . 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 3 A S 0 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.1 73.8 59.0 25.0 2 4 A T - 0 0 40 2,-0.1 2,-0.3 4,-0.0 32,-0.0 0.818 360.0-116.9 58.3 112.1 75.3 57.1 28.0 3 5 A P S S+ 0 0 31 0, 0.0 2,-0.0 0, 0.0 98,-0.0 -0.665 77.6 8.7 -72.4 145.4 74.0 58.2 31.4 4 6 A F S S+ 0 0 0 -2,-0.3 98,-2.5 0, 0.0 2,-0.4 -0.712 109.8 61.2-171.5 -11.9 75.6 59.6 34.0 5 7 A F B -A 101 0A 2 96,-0.2 96,-0.2 100,-0.1 95,-0.1 -0.912 66.6-137.7-111.7 135.1 79.1 60.5 32.8 6 8 A Y >> - 0 0 33 94,-2.5 4,-1.7 -2,-0.4 3,-0.5 -0.374 38.0 -97.2 -76.9 168.9 80.1 62.8 30.0 7 9 A P H 3> S+ 0 0 29 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.883 122.7 60.9 -56.6 -42.0 82.8 61.8 27.5 8 10 A E H 3> S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.885 105.6 50.1 -53.7 -39.3 85.5 63.8 29.4 9 11 A A H <> S+ 0 0 0 -3,-0.5 4,-2.4 91,-0.3 -1,-0.2 0.939 113.2 43.4 -66.0 -48.8 84.8 61.5 32.4 10 12 A I H X S+ 0 0 6 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.970 115.3 48.2 -60.6 -51.7 85.0 58.2 30.5 11 13 A V H X S+ 0 0 3 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.936 112.9 49.6 -57.9 -47.3 88.1 59.3 28.6 12 14 A L H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.4 3,-0.4 0.931 111.0 48.2 -56.4 -49.5 89.8 60.4 31.8 13 15 A A H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.917 110.9 51.8 -57.6 -44.8 89.0 57.2 33.7 14 16 A Y H 3< S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.784 101.8 59.9 -68.2 -26.4 90.3 55.1 30.8 15 17 A L H >< S+ 0 0 1 -4,-1.6 3,-3.8 -3,-0.4 -1,-0.2 0.844 79.9 102.8 -70.3 -32.3 93.6 56.9 30.7 16 18 A Y T << S+ 0 0 78 -4,-1.2 56,-0.0 -3,-0.6 50,-0.0 -0.288 97.9 7.3 -55.9 132.9 94.3 56.0 34.2 17 19 A D T 3 S+ 0 0 131 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.456 118.6 81.3 68.7 0.8 96.8 53.2 34.1 18 20 A N X + 0 0 49 -3,-3.8 3,-1.9 3,-0.1 47,-0.2 0.010 55.2 149.7-120.4 27.2 97.2 53.6 30.3 19 21 A E T 3 + 0 0 64 1,-0.2 47,-0.2 -4,-0.2 3,-0.1 -0.328 64.2 38.5 -58.7 140.1 99.5 56.5 30.3 20 22 A G T 3 S+ 0 0 22 45,-2.4 -1,-0.2 1,-0.4 46,-0.1 0.181 83.1 139.2 103.5 -17.3 101.7 56.3 27.1 21 23 A I < - 0 0 28 -3,-1.9 44,-1.9 44,-0.4 -1,-0.4 -0.352 63.1-110.2 -66.1 135.1 98.9 55.1 25.0 22 24 A A B >> -B 64 0B 7 42,-0.2 4,-1.8 1,-0.1 3,-1.0 -0.557 32.9-118.2 -60.7 129.3 98.7 56.6 21.5 23 25 A T H 3> S+ 0 0 4 40,-2.4 4,-2.2 -2,-0.3 3,-0.2 0.838 112.2 50.6 -36.3 -52.6 95.6 58.9 21.6 24 26 A Y H 3> S+ 0 0 121 39,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.859 107.3 53.6 -65.5 -33.4 93.8 56.9 18.9 25 27 A D H <> S+ 0 0 77 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.872 105.7 54.0 -65.2 -34.4 94.3 53.7 20.7 26 28 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.929 107.2 52.4 -63.8 -41.1 92.8 55.3 23.7 27 29 A Y H X S+ 0 0 21 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.925 106.9 50.9 -55.3 -49.0 89.9 56.1 21.5 28 30 A K H X S+ 0 0 117 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.914 112.7 47.1 -55.2 -42.3 89.6 52.4 20.3 29 31 A K H < S+ 0 0 94 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.924 113.4 45.4 -66.7 -50.7 89.5 51.2 23.9 30 32 A V H >X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 3,-2.2 0.962 113.8 50.9 -56.3 -52.7 87.0 53.7 25.2 31 33 A N H 3< S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 98.2 65.5 -60.4 -34.9 84.8 53.1 22.3 32 34 A A T 3< S+ 0 0 83 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.604 121.0 21.3 -56.6 -17.5 84.9 49.3 22.8 33 35 A E T <4 S+ 0 0 104 -3,-2.2 -2,-0.2 -4,-0.4 -1,-0.2 0.653 137.3 27.2-124.2 -37.4 83.0 49.8 26.1 34 36 A F S < S- 0 0 15 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.1 -0.719 87.5-139.2-130.1 79.0 81.3 53.2 25.8 35 37 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.058 36.7 153.5 -48.2 124.9 80.6 53.8 22.1 36 38 A X - 0 0 24 -9,-0.1 2,-0.1 -29,-0.0 -2,-0.0 -0.959 42.1-102.6-142.8 168.2 81.3 57.4 21.1 37 39 A S > - 0 0 53 -2,-0.3 4,-3.2 1,-0.1 5,-0.1 -0.448 28.4-116.7 -84.4 167.4 82.2 59.1 17.9 38 40 A T H > S+ 0 0 72 2,-0.2 4,-3.2 3,-0.2 5,-0.4 0.884 118.5 56.6 -67.3 -42.1 85.7 60.4 17.1 39 41 A A H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.992 112.1 40.7 -49.5 -62.1 84.2 63.9 17.0 40 42 A T H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.932 116.5 50.9 -57.8 -40.6 82.9 63.4 20.5 41 43 A F H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.917 112.1 45.2 -60.5 -47.9 86.2 61.7 21.7 42 44 A Y H X S+ 0 0 79 -4,-3.2 4,-3.2 2,-0.2 -1,-0.2 0.861 107.5 58.5 -67.0 -33.8 88.5 64.4 20.4 43 45 A D H X S+ 0 0 117 -4,-2.6 4,-2.4 -5,-0.4 -1,-0.2 0.942 108.7 46.7 -58.4 -43.2 86.3 67.1 21.9 44 46 A A H X S+ 0 0 3 -4,-1.9 4,-2.5 -5,-0.2 5,-0.3 0.887 110.0 50.9 -65.7 -40.6 86.9 65.4 25.2 45 47 A K H X S+ 0 0 39 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.979 110.8 51.5 -61.8 -46.6 90.7 65.1 24.6 46 48 A K H X S+ 0 0 124 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.923 111.4 47.2 -51.0 -49.7 90.7 68.8 23.8 47 49 A F H X S+ 0 0 54 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.942 110.4 48.6 -64.4 -49.9 88.8 69.7 26.9 48 50 A L H <>S+ 0 0 1 -4,-2.5 5,-2.8 1,-0.2 6,-1.5 0.836 113.9 48.4 -64.4 -31.6 90.9 67.6 29.4 49 51 A I H ><5S+ 0 0 61 -4,-2.3 3,-1.3 -5,-0.3 -1,-0.2 0.937 113.5 47.6 -66.6 -46.0 94.1 69.1 27.9 50 52 A Q H 3<5S+ 0 0 121 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.828 113.2 46.8 -67.2 -35.0 92.6 72.6 28.1 51 53 A E T 3<5S- 0 0 98 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.254 117.7-112.1 -92.6 9.4 91.5 72.1 31.7 52 54 A G T < 5S+ 0 0 30 -3,-1.3 18,-0.3 2,-0.2 19,-0.3 0.719 85.9 112.3 76.0 26.1 94.8 70.7 32.7 53 55 A F S +C 62 0B 57 3,-1.9 3,-1.2 -2,-1.1 -2,-0.0 -0.963 53.8 0.3-127.9 142.7 106.7 60.6 21.4 60 62 A R T 3 S- 0 0 220 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.867 130.1 -50.8 49.3 51.9 108.1 57.5 19.6 61 63 A G T 3 S+ 0 0 60 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.711 125.1 75.3 60.1 29.5 106.4 58.3 16.2 62 64 A E E < S- C 0 59B 100 -3,-1.2 -3,-1.9 -5,-0.0 2,-0.5 -0.958 83.6-107.8-155.3 158.8 102.9 58.8 17.7 63 65 A K E - C 0 58B 119 -2,-0.3 -40,-2.4 -5,-0.3 -39,-0.3 -0.892 47.1-172.5 -91.4 122.9 100.8 61.4 19.8 64 66 A R E -BC 22 57B 52 -7,-3.6 -7,-2.1 -2,-0.5 2,-0.4 -0.807 17.6-126.0-123.8 161.1 100.4 59.9 23.3 65 67 A L E + C 0 56B 3 -44,-1.9 -45,-2.4 -2,-0.3 -44,-0.4 -0.872 21.0 179.9-115.8 131.4 98.5 60.8 26.4 66 68 A Y E - C 0 55B 33 -11,-2.8 -11,-2.6 -2,-0.4 2,-0.2 -0.861 26.8-117.0-123.4 159.0 99.7 61.3 30.0 67 69 A L E - C 0 54B 10 -2,-0.3 -13,-0.2 -13,-0.2 2,-0.2 -0.604 23.5-134.0 -92.7 158.2 97.8 62.2 33.1 68 70 A T > - 0 0 21 -15,-2.0 4,-3.3 -2,-0.2 5,-0.2 -0.563 31.2-100.6-103.7 166.1 98.4 65.3 35.0 69 71 A E H > S+ 0 0 163 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.972 129.1 39.0 -48.0 -56.6 98.8 65.5 38.8 70 72 A K H > S+ 0 0 86 -18,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.771 115.9 53.4 -67.2 -27.4 95.1 66.7 39.1 71 73 A G H > S+ 0 0 0 -19,-0.3 4,-3.5 -18,-0.2 5,-0.2 0.911 106.0 52.3 -70.2 -42.7 94.1 64.2 36.3 72 74 A K H X S+ 0 0 91 -4,-3.3 4,-1.3 2,-0.2 -2,-0.2 0.923 111.9 47.0 -61.6 -44.6 95.7 61.3 38.2 73 75 A L H X S+ 0 0 103 -4,-1.9 4,-1.0 -5,-0.2 3,-0.3 0.958 119.0 38.8 -60.9 -52.7 93.8 62.2 41.3 74 76 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-0.4 0.924 107.2 62.4 -65.7 -49.0 90.5 62.6 39.6 75 77 A A H X S+ 0 0 0 -4,-3.5 4,-2.8 1,-0.2 -1,-0.2 0.858 100.7 56.5 -44.4 -41.7 90.8 59.7 37.1 76 78 A I H X S+ 0 0 80 -4,-1.3 4,-1.7 -3,-0.3 -1,-0.2 0.934 109.8 42.2 -61.4 -49.6 91.0 57.2 40.1 77 79 A S H X S+ 0 0 7 -4,-1.0 4,-1.6 -3,-0.4 100,-0.3 0.826 115.3 50.3 -71.3 -32.0 87.7 58.3 41.6 78 80 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.911 107.3 54.8 -64.5 -42.4 86.0 58.5 38.2 79 81 A K H X S+ 0 0 55 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.890 107.3 50.3 -56.3 -43.4 87.3 54.9 37.4 80 82 A T H X S+ 0 0 63 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.919 112.2 47.4 -65.3 -46.5 85.7 53.6 40.6 81 83 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 92,-0.3 -2,-0.2 0.956 116.3 42.2 -54.7 -58.4 82.3 55.2 39.7 82 84 A I H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.903 115.2 51.6 -58.9 -42.4 82.3 54.0 36.0 83 85 A E H X S+ 0 0 77 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.880 110.1 47.3 -61.2 -39.7 83.5 50.6 37.1 84 86 A T H X S+ 0 0 42 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.908 111.6 53.1 -69.9 -42.6 80.7 50.3 39.7 85 87 A Y H >X S+ 0 0 14 -4,-2.8 4,-2.9 2,-0.2 3,-0.7 0.949 107.2 50.1 -51.5 -58.0 78.3 51.5 37.0 86 88 A K H 3X S+ 0 0 35 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.900 112.5 47.7 -46.2 -48.4 79.5 48.7 34.6 87 89 A Q H 3X S+ 0 0 87 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.740 110.2 52.1 -69.1 -24.8 79.0 46.1 37.4 88 90 A I H X S+ 0 0 61 -4,-2.9 3,-1.2 2,-0.2 4,-0.7 0.982 115.3 45.8 -47.9 -65.8 74.6 47.2 34.5 90 92 A K H >< S+ 0 0 141 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.899 110.9 52.5 -43.8 -55.0 76.0 43.6 34.4 91 93 A R H 3< S+ 0 0 167 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.843 116.1 41.7 -48.6 -36.6 74.3 42.6 37.7 92 94 A H H << + 0 0 75 -4,-1.9 2,-4.2 -3,-1.2 -1,-0.2 0.253 60.9 125.9-112.1 9.3 71.0 43.8 36.4 93 95 A H << 0 0 171 -3,-1.2 -1,-0.1 -4,-0.7 -3,-0.1 -0.287 360.0 360.0 -55.8 57.1 70.5 42.7 32.7 94 96 A H 0 0 208 -2,-4.2 -1,-0.1 0, 0.0 -3,-0.0 -0.779 360.0 360.0-142.2 360.0 67.2 41.2 34.0 95 !* 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 96 2 B K 0 0 218 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -68.8 74.8 71.9 29.1 97 3 B S + 0 0 81 1,-0.3 35,-0.1 2,-0.0 5,-0.0 0.445 360.0 45.5-119.7 -89.3 76.4 73.3 32.4 98 4 B T S S- 0 0 24 33,-0.3 -1,-0.3 3,-0.1 32,-0.0 -0.292 70.3-135.7 -71.0 139.0 78.7 71.1 34.5 99 5 B P S S+ 0 0 32 0, 0.0 -90,-0.2 0, 0.0 -91,-0.2 0.955 82.6 25.8 -62.8 -63.4 81.6 69.1 32.9 100 6 B F S S+ 0 0 0 -92,-0.1 -94,-2.5 -95,-0.1 2,-0.4 0.842 111.9 54.1 -88.9 -18.4 82.0 65.6 34.1 101 7 B F B -A 5 0A 1 -96,-0.2 -96,-0.2 -92,-0.1 -3,-0.1 -0.884 68.3-135.4-122.0 130.2 78.7 64.6 35.4 102 8 B Y >> - 0 0 51 -98,-2.5 3,-1.9 -2,-0.4 4,-1.6 -0.568 40.7-102.5 -74.1 146.7 75.2 64.6 33.9 103 9 B P H 3> S+ 0 0 20 0, 0.0 4,-3.9 0, 0.0 5,-0.2 0.814 122.1 60.3 -38.7 -46.1 72.4 65.9 36.1 104 10 B E H 3> S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 105.3 49.3 -46.7 -48.3 71.2 62.3 36.9 105 11 B A H <> S+ 0 0 0 -3,-1.9 4,-2.5 -101,-0.3 -1,-0.2 0.934 113.9 44.2 -62.5 -45.9 74.7 61.7 38.4 106 12 B I H X S+ 0 0 6 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.950 114.7 49.4 -63.7 -47.3 74.5 64.8 40.5 107 13 B V H X S+ 0 0 3 -4,-3.9 4,-1.6 1,-0.2 -2,-0.2 0.962 113.5 45.2 -56.3 -53.5 70.9 64.1 41.6 108 14 B L H X S+ 0 0 0 -4,-2.8 4,-1.1 -5,-0.2 3,-0.3 0.913 112.3 50.9 -58.9 -46.3 71.7 60.6 42.6 109 15 B A H >< S+ 0 0 1 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.938 111.0 49.8 -55.6 -47.2 74.9 61.5 44.4 110 16 B Y H 3< S+ 0 0 17 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.748 100.9 62.7 -66.6 -26.6 73.0 64.2 46.4 111 17 B L H >< S+ 0 0 0 -4,-1.6 3,-3.5 -3,-0.3 -1,-0.3 0.824 76.5 119.7 -71.3 -27.9 70.2 61.9 47.4 112 18 B Y T << S- 0 0 60 -4,-1.1 56,-0.0 -3,-0.8 50,-0.0 -0.355 97.0 -14.9 -65.2 141.8 72.7 59.7 49.3 113 19 B D T 3 S+ 0 0 104 1,-0.1 -1,-0.3 -2,-0.0 -2,-0.1 0.214 112.5 95.1 -75.6 77.8 71.7 59.8 52.4 114 20 B N X + 0 0 52 -3,-3.5 3,-1.8 -4,-0.1 2,-0.2 -0.373 62.2 161.3-103.4 41.6 69.3 62.7 52.3 115 21 B E T 3 + 0 0 55 1,-0.3 47,-0.2 45,-0.1 3,-0.1 -0.474 58.0 30.7 -66.5 127.0 67.0 59.8 51.8 116 22 B G T 3 S+ 0 0 14 45,-2.4 -1,-0.3 1,-0.3 46,-0.1 0.470 85.6 146.2 99.2 4.3 63.4 60.9 52.5 117 23 B I < - 0 0 32 -3,-1.8 44,-2.1 44,-0.4 2,-0.4 -0.380 59.1-104.8 -65.8 147.3 64.0 64.4 51.3 118 24 B A B > -D 160 0C 1 42,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.662 29.8-122.8 -68.0 131.8 61.1 66.2 49.7 119 25 B T H > S+ 0 0 1 40,-2.4 4,-2.2 -2,-0.4 -1,-0.1 0.871 111.2 52.9 -41.4 -52.0 61.8 66.3 45.9 120 26 B Y H > S+ 0 0 134 1,-0.2 4,-1.8 39,-0.2 -1,-0.2 0.898 109.4 49.0 -55.3 -47.9 61.6 70.1 45.9 121 27 B D H > S+ 0 0 70 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.798 106.8 55.0 -63.3 -33.8 64.1 70.4 48.7 122 28 B L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.903 105.6 55.2 -65.7 -38.3 66.5 68.1 46.9 123 29 B Y H X S+ 0 0 37 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.955 107.5 47.6 -54.7 -55.8 66.3 70.4 43.9 124 30 B K H X S+ 0 0 104 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.896 113.1 47.8 -54.9 -45.7 67.3 73.4 46.0 125 31 B K H >X S+ 0 0 75 -4,-2.0 4,-0.7 1,-0.2 3,-0.7 0.944 113.5 47.0 -59.7 -53.2 70.3 71.6 47.6 126 32 B V H >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-0.7 0.908 108.5 57.0 -51.9 -47.1 71.5 70.2 44.2 127 33 B N H 3< S+ 0 0 51 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.769 93.6 68.5 -64.9 -26.0 71.1 73.7 42.7 128 34 B A H << S+ 0 0 77 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.877 118.5 17.5 -59.8 -45.0 73.5 75.4 45.3 129 35 B E H << S+ 0 0 86 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.2 0.715 138.5 36.2 -97.8 -30.7 76.7 73.7 44.0 130 36 B F S < S- 0 0 5 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.780 81.9-150.8-129.0 86.3 75.4 72.6 40.6 131 37 B P + 0 0 82 0, 0.0 2,-0.3 0, 0.0 -33,-0.3 -0.322 32.1 151.6 -60.6 131.7 73.1 75.2 39.2 132 38 B X - 0 0 17 -9,-0.1 2,-0.1 -35,-0.1 -2,-0.1 -0.971 43.6-100.7-155.6 159.7 70.5 73.5 36.9 133 39 B S > - 0 0 54 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.331 28.3-118.1 -79.3 164.7 67.0 74.2 35.9 134 40 B T H > S+ 0 0 84 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.852 117.7 58.5 -66.2 -34.8 63.9 72.5 37.3 135 41 B A H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.967 110.4 41.7 -57.1 -53.5 63.3 71.2 33.8 136 42 B T H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.897 115.2 51.3 -58.6 -47.5 66.7 69.5 33.9 137 43 B F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.937 111.8 44.9 -57.3 -53.6 66.2 68.4 37.5 138 44 B Y H X S+ 0 0 88 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.832 108.1 58.4 -64.5 -32.4 62.9 66.8 36.9 139 45 B D H X S+ 0 0 112 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.923 109.6 45.5 -56.5 -44.8 64.2 65.1 33.7 140 46 B A H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.889 110.0 52.5 -69.4 -41.6 66.8 63.5 35.9 141 47 B K H X S+ 0 0 36 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.939 110.3 50.6 -55.5 -45.2 64.3 62.5 38.6 142 48 B K H X S+ 0 0 129 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.961 112.1 45.9 -60.1 -53.9 62.2 60.9 35.8 143 49 B F H X S+ 0 0 42 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.898 110.3 51.8 -55.7 -48.5 65.1 58.9 34.5 144 50 B L H <>S+ 0 0 1 -4,-2.7 5,-2.2 1,-0.2 6,-1.6 0.871 114.3 44.2 -62.2 -36.4 66.5 57.7 37.9 145 51 B I H ><5S+ 0 0 57 -4,-2.2 3,-1.2 -5,-0.2 -1,-0.2 0.935 114.9 47.9 -73.0 -42.4 63.0 56.4 38.8 146 52 B Q H 3<5S+ 0 0 120 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.811 114.1 45.7 -72.7 -27.9 62.4 54.8 35.4 147 53 B E T 3<5S- 0 0 91 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.291 118.9-113.7 -94.7 8.8 65.9 53.1 35.3 148 54 B G T < 5S+ 0 0 29 -3,-1.2 19,-0.3 2,-0.2 18,-0.3 0.612 85.7 111.0 77.7 19.8 65.3 52.0 38.9 149 55 B F S - 0 0 37 -15,-2.1 4,-2.2 -2,-0.5 5,-0.1 -0.201 39.2 -97.2 -65.3 172.5 66.7 51.6 45.6 165 71 B E H > S+ 0 0 157 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.899 127.3 51.1 -63.5 -43.9 69.4 49.1 46.4 166 72 B K H > S+ 0 0 30 -18,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.838 112.5 47.8 -56.9 -41.5 71.0 49.6 42.9 167 73 B G H > S+ 0 0 0 -19,-0.3 4,-3.1 -18,-0.3 -2,-0.2 0.873 105.2 58.3 -73.5 -38.5 71.0 53.3 43.6 168 74 B K H X S+ 0 0 87 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.947 109.8 43.1 -55.1 -54.2 72.5 53.0 47.1 169 75 B L H X S+ 0 0 68 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.895 118.3 45.2 -58.3 -43.9 75.6 51.2 45.7 170 76 B F H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.930 105.2 58.4 -71.6 -44.0 76.0 53.6 42.8 171 77 B A H X S+ 0 0 0 -4,-3.1 4,-3.4 1,-0.2 5,-0.2 0.881 101.7 57.9 -53.8 -44.5 75.4 56.9 44.8 172 78 B I H X S+ 0 0 80 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.948 110.3 41.0 -48.2 -59.2 78.3 56.1 47.1 173 79 B S H X S+ 0 0 9 -4,-1.2 4,-1.8 1,-0.2 -92,-0.3 0.840 115.9 51.4 -65.3 -33.3 80.9 55.9 44.2 174 80 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.954 106.5 52.0 -66.1 -51.0 79.3 58.8 42.4 175 81 B K H X S+ 0 0 78 -4,-3.4 4,-3.0 1,-0.2 5,-0.2 0.860 107.0 55.6 -54.8 -38.8 79.5 61.1 45.5 176 82 B T H X S+ 0 0 69 -4,-1.8 4,-2.9 -5,-0.2 -1,-0.2 0.950 109.6 45.2 -55.1 -54.8 83.2 60.2 45.9 177 83 B A H X S+ 0 0 0 -4,-1.8 4,-2.5 -100,-0.3 -2,-0.2 0.910 115.9 45.6 -57.6 -47.7 83.9 61.3 42.3 178 84 B I H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.907 114.2 49.1 -64.4 -42.7 81.8 64.6 42.6 179 85 B E H X S+ 0 0 72 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.920 111.8 48.4 -59.9 -46.6 83.4 65.3 46.0 180 86 B T H X S+ 0 0 45 -4,-2.9 4,-1.2 -5,-0.2 -2,-0.2 0.909 111.1 52.3 -62.3 -40.0 86.8 64.7 44.5 181 87 B Y H >X S+ 0 0 14 -4,-2.5 4,-2.6 1,-0.2 3,-0.6 0.937 108.4 48.9 -58.3 -50.6 85.9 67.0 41.7 182 88 B K H 3< S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.861 110.5 51.2 -57.2 -41.2 84.8 69.8 44.0 183 89 B Q H 3< S+ 0 0 167 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.736 109.4 51.1 -71.4 -24.8 88.0 69.6 46.0 184 90 B I H << 0 0 42 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.900 360.0 360.0 -80.4 -44.7 90.0 69.7 42.7 185 91 B K < 0 0 163 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.975 360.0 360.0 -58.9 360.0 88.1 72.9 41.6