==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 17-JAN-10 3LFK . COMPND 2 MOLECULE: MARR LIKE PROTEIN, TVG0766549; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA VOLCANIUM; . AUTHOR Z.LIU,T.A.WALTON,D.C.REES . 455 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 69.9 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 . 64 14.1 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 . 8 1.8 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 . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 3 0 0 0 4 3 1 0 0 0 0 0 0 0 0 2 2 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 . 3 6 2 0 0 4 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 . 4 4 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 -1 A S > 0 0 110 0, 0.0 4,-0.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 4.1 34.1 21.9 23.0 2 0 A H T 4 + 0 0 87 2,-0.2 3,-0.4 1,-0.2 4,-0.4 0.921 360.0 41.6 -76.8 -47.0 37.0 22.5 25.4 3 1 A M T 4 S+ 0 0 16 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.749 113.2 54.5 -72.6 -24.2 39.5 20.2 23.7 4 2 A S T 4 S+ 0 0 83 1,-0.2 -1,-0.2 4,-0.0 -2,-0.2 0.669 99.2 61.2 -83.8 -16.9 38.4 21.4 20.3 5 3 A A S < S+ 0 0 86 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.607 87.5 101.1 -81.9 -11.9 39.0 25.1 21.1 6 4 A M S S- 0 0 31 -3,-0.4 3,-0.1 -4,-0.4 65,-0.1 -0.354 81.0-108.9 -74.0 152.9 42.7 24.2 21.7 7 5 A A - 0 0 24 63,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.377 47.2 -89.0 -74.9 160.6 45.4 25.0 19.2 8 6 A E - 0 0 110 1,-0.1 -1,-0.1 -2,-0.1 393,-0.1 -0.413 43.6-104.0 -72.9 144.7 46.9 22.0 17.4 9 7 A S - 0 0 16 1,-0.1 66,-0.2 391,-0.1 67,-0.2 -0.388 21.4-161.7 -63.8 143.6 49.9 20.2 18.9 10 8 A K + 0 0 25 65,-2.5 14,-2.4 64,-0.1 2,-0.9 0.333 66.0 97.7-104.9 3.1 53.2 20.9 17.2 11 9 A V E +A 23 0A 23 64,-0.5 12,-0.2 12,-0.2 3,-0.2 -0.813 39.6 165.6 -97.8 107.4 54.8 17.9 18.8 12 10 A L E S+ 0 0 21 10,-2.1 2,-0.4 -2,-0.9 -1,-0.2 0.887 76.8 7.7 -83.2 -45.9 54.8 15.0 16.2 13 11 A V E S-A 22 0A 11 9,-1.7 9,-2.2 196,-0.1 -1,-0.3 -0.976 78.0-133.3-140.6 122.5 57.3 12.8 18.0 14 12 A K - 0 0 95 -2,-0.4 2,-0.1 7,-0.2 196,-0.1 -0.418 36.7 -99.3 -71.4 152.0 58.6 13.5 21.4 15 13 A G + 0 0 17 -2,-0.1 5,-0.2 6,-0.1 -1,-0.1 -0.406 48.2 166.5 -72.6 149.2 62.4 13.2 21.8 16 14 A T B > -B 19 0B 20 3,-2.4 3,-1.9 117,-0.1 117,-0.0 -0.892 54.8 -80.2-149.1 173.8 63.8 10.0 23.3 17 15 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 120,-0.1 0.749 129.0 41.8 -54.0 -27.5 67.3 8.4 23.5 18 16 A F T 3 S+ 0 0 30 1,-0.2 2,-0.3 2,-0.0 199,-0.1 0.245 118.4 38.2-107.4 14.0 67.1 7.1 19.9 19 17 A N B < -B 16 0B 18 -3,-1.9 -3,-2.4 194,-0.0 -1,-0.2 -0.933 68.4-128.3-165.2 140.2 65.5 10.1 18.2 20 18 A K - 0 0 148 -2,-0.3 -2,-0.0 -5,-0.2 2,-0.0 -0.439 52.2 -89.3 -77.1 156.0 65.4 13.9 18.1 21 19 A P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.369 33.8-139.1 -69.3 152.5 62.0 15.4 18.5 22 20 A V E -A 13 0A 26 -9,-2.2 -10,-2.1 -3,-0.1 -9,-1.7 -0.978 21.5-167.1-113.2 123.3 60.0 16.0 15.3 23 21 A I E -A 11 0A 8 -2,-0.5 -12,-0.2 -12,-0.2 2,-0.2 -0.890 23.5-115.8-113.1 138.9 58.2 19.4 15.4 24 22 A K S S+ 0 0 32 -14,-2.4 2,-0.1 -2,-0.4 176,-0.1 -0.501 85.1 20.2 -71.2 140.8 55.5 20.5 13.0 25 23 A G S S- 0 0 9 -2,-0.2 2,-0.3 7,-0.1 -2,-0.2 -0.348 94.0 -77.6 90.1-178.6 56.5 23.5 11.0 26 24 A K > > - 0 0 87 -2,-0.1 5,-2.7 1,-0.1 3,-1.8 -0.946 21.0-125.2-128.2 145.0 60.1 24.7 10.3 27 25 A L G > 5S+ 0 0 47 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.837 107.7 67.9 -52.7 -37.8 62.7 26.7 12.4 28 26 A E G 3 5S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.789 110.2 34.2 -57.5 -26.5 62.9 29.2 9.5 29 27 A N G X 5S- 0 0 7 -3,-1.8 3,-1.6 210,-0.1 -1,-0.3 -0.015 120.3-104.4-117.5 30.4 59.3 30.3 10.3 30 28 A N G X 5 - 0 0 23 -3,-2.2 3,-2.0 1,-0.3 -3,-0.2 0.811 69.5 -68.0 52.6 35.7 59.6 29.8 14.1 31 29 A Y G 3 - 0 0 2 -2,-0.2 4,-1.9 -3,-0.1 3,-0.4 -0.448 32.3-101.9 -83.2 167.3 53.6 34.2 16.2 35 33 A Q H > S+ 0 0 81 207,-1.9 4,-3.1 1,-0.2 5,-0.2 0.854 120.9 57.4 -62.0 -34.6 56.2 36.6 17.7 36 34 A D H > S+ 0 0 8 207,-1.2 4,-2.3 206,-0.2 -1,-0.2 0.909 108.4 48.2 -60.9 -39.4 54.4 37.0 21.0 37 35 A E H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.906 111.3 49.0 -67.8 -40.3 54.6 33.2 21.4 38 36 A V H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.941 110.2 52.1 -64.7 -47.0 58.3 33.1 20.5 39 37 A S H X S+ 0 0 58 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.931 112.3 45.2 -54.6 -46.3 59.0 35.9 23.0 40 38 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.911 110.9 52.6 -66.0 -42.0 57.3 34.1 25.8 41 39 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.917 112.4 45.3 -58.7 -43.9 59.0 30.7 25.0 42 40 A L H X S+ 0 0 35 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.840 109.0 56.4 -70.2 -32.0 62.4 32.4 25.1 43 41 A F H X S+ 0 0 31 -4,-2.0 4,-1.5 -5,-0.3 6,-0.2 0.948 109.6 46.1 -63.4 -45.5 61.5 34.2 28.3 44 42 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 6,-0.4 0.912 113.4 48.9 -62.6 -41.0 60.7 30.8 29.9 45 43 A K H ><5S+ 0 0 45 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.905 108.4 54.2 -64.9 -41.0 64.0 29.4 28.5 46 44 A T H 3<5S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.773 105.8 54.1 -64.4 -29.9 65.9 32.4 29.8 47 45 A H T ><5S- 0 0 61 -4,-1.5 3,-1.2 -3,-0.2 -1,-0.3 -0.277 132.7 -84.3-101.1 45.6 64.6 31.8 33.3 48 46 A G T < 5 - 0 0 66 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.532 64.5 -82.6 70.6 9.1 65.6 28.2 33.6 49 47 A G T 3 > -C 88 0C 30 0, 0.0 4,-1.1 0, 0.0 3,-1.1 -0.376 36.1-124.3 -65.0 144.9 56.0 31.1 38.9 53 51 A L H >> S+ 0 0 8 34,-2.3 4,-1.8 1,-0.3 3,-0.5 0.888 108.1 62.9 -58.9 -36.4 52.9 32.2 36.9 54 52 A Y H 3> S+ 0 0 145 33,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.829 98.5 55.7 -62.0 -27.1 52.9 35.6 38.6 55 53 A R H <> S+ 0 0 73 -3,-1.1 4,-3.0 2,-0.2 -1,-0.2 0.888 104.2 53.8 -70.7 -34.5 56.3 36.4 37.1 56 54 A I H > S+ 0 0 20 1,-0.1 4,-1.7 2,-0.0 3,-0.6 -0.585 70.7 167.1-137.3 73.3 47.4 38.8 27.7 65 63 A P H 3> S+ 0 0 14 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.850 76.9 58.0 -54.4 -41.3 50.2 36.5 28.9 66 64 A E H 3> S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.868 105.0 49.4 -61.8 -37.1 47.8 33.7 29.9 67 65 A S H <> S+ 0 0 32 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.913 112.7 47.3 -68.2 -41.9 46.4 33.5 26.3 68 66 A V H X S+ 0 0 6 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.937 112.9 49.5 -63.5 -44.9 49.9 33.3 24.9 69 67 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.898 105.4 57.0 -61.1 -42.9 51.0 30.7 27.4 70 68 A K H X S+ 0 0 77 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.867 105.2 52.1 -59.4 -36.3 47.8 28.6 26.7 71 69 A N H X S+ 0 0 29 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.936 108.3 50.1 -64.1 -43.8 48.9 28.4 23.1 72 70 A L H X>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 6,-0.8 0.865 112.5 48.5 -61.7 -34.3 52.4 27.2 24.1 73 71 A M H ><5S+ 0 0 1 -4,-2.3 3,-1.0 4,-0.2 -1,-0.2 0.919 110.0 50.0 -69.8 -44.1 50.7 24.6 26.3 74 72 A D H 3<5S+ 0 0 16 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.859 108.0 55.2 -61.9 -35.0 48.4 23.5 23.4 75 73 A Y H 3<5S- 0 0 7 -4,-2.5 -65,-2.5 -66,-0.2 -64,-0.5 0.688 118.5-112.8 -71.2 -18.3 51.5 23.2 21.1 76 74 A G T <<5S+ 0 0 10 -3,-1.0 19,-0.4 -4,-0.5 18,-0.3 0.595 87.9 111.3 95.5 16.7 53.1 20.8 23.6 77 75 A F S -D 86 0C 43 3,-1.7 3,-0.7 -2,-0.2 -2,-0.0 -0.971 45.3 -50.6-147.8 160.4 51.8 23.0 43.6 84 82 A R T 3 S+ 0 0 197 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.041 122.9 10.5 -33.3 117.4 51.1 24.2 47.2 85 83 A L T 3 S- 0 0 183 -3,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.811 131.0 -11.3 78.3 36.2 51.0 28.0 47.3 86 84 A G E < S- D 0 83C 43 -3,-0.7 -3,-1.7 2,-0.0 2,-0.3 -0.343 76.1 -81.4 125.7 154.3 50.9 28.8 43.5 87 85 A E E - D 0 82C 31 -5,-0.2 -34,-2.3 -2,-0.1 2,-0.4 -0.705 32.0-152.2 -95.1 143.4 51.3 27.4 40.0 88 86 A K E -CD 52 81C 60 -7,-0.8 -7,-3.5 -2,-0.3 2,-0.5 -0.924 6.8-146.0-113.1 135.4 54.7 26.9 38.3 89 87 A I E -CD 51 80C 0 -38,-3.4 -38,-2.5 -2,-0.4 2,-0.3 -0.882 22.0-179.2-104.3 130.3 55.1 27.0 34.5 90 88 A V E -CD 50 79C 22 -11,-2.6 -11,-2.6 -2,-0.5 -40,-0.2 -0.966 27.1-120.2-132.0 145.4 57.7 24.6 33.0 91 89 A L E - D 0 78C 13 -42,-2.5 -13,-0.3 -2,-0.3 2,-0.1 -0.566 28.9-130.2 -78.0 144.8 59.0 24.0 29.5 92 90 A T > - 0 0 19 -15,-1.9 4,-2.5 -2,-0.2 5,-0.2 -0.433 33.4 -98.6 -81.8 172.0 58.6 20.4 28.2 93 91 A S H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.881 128.8 51.1 -59.6 -34.5 61.6 18.7 26.7 94 92 A E H > S+ 0 0 9 -18,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.872 108.4 50.4 -70.8 -36.7 60.1 19.6 23.3 95 93 A G H > S+ 0 0 0 -19,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.896 110.5 49.7 -67.6 -38.4 59.7 23.3 24.3 96 94 A E H X S+ 0 0 75 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.929 110.6 51.5 -63.7 -43.7 63.3 23.4 25.5 97 95 A F H X S+ 0 0 70 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.931 113.9 41.8 -57.1 -49.7 64.4 21.9 22.2 98 96 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.908 114.1 51.7 -67.8 -41.7 62.5 24.5 20.1 99 97 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.915 112.2 46.7 -62.2 -43.1 63.5 27.4 22.4 100 98 A Q H X S+ 0 0 80 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.899 109.9 53.1 -67.3 -39.6 67.2 26.3 22.1 101 99 A A H X S+ 0 0 23 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.913 112.8 44.6 -61.0 -42.1 67.0 25.9 18.3 102 100 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.911 112.4 51.8 -68.8 -42.5 65.6 29.4 18.0 103 101 A R H X S+ 0 0 109 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.919 112.0 46.5 -60.4 -45.4 68.1 30.9 20.4 104 102 A V H X S+ 0 0 64 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.925 111.9 49.8 -64.5 -44.0 71.0 29.3 18.4 105 103 A R H X S+ 0 0 61 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.941 113.1 47.9 -59.2 -45.7 69.6 30.5 15.1 106 104 A D H X S+ 0 0 65 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.904 112.4 48.2 -61.6 -42.1 69.3 34.0 16.5 107 105 A E H X S+ 0 0 101 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.861 106.8 56.1 -68.5 -37.9 72.8 34.0 18.0 108 106 A E H X S+ 0 0 127 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.903 109.7 47.5 -61.0 -38.3 74.3 32.7 14.7 109 107 A L H X S+ 0 0 91 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.889 110.4 51.3 -69.1 -38.3 72.8 35.7 13.0 110 108 A R H X S+ 0 0 138 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.897 111.4 47.9 -64.6 -40.5 74.0 38.1 15.7 111 109 A L H X S+ 0 0 74 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.913 110.3 51.6 -66.8 -42.9 77.6 36.7 15.4 112 110 A K H X S+ 0 0 125 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.924 112.6 45.6 -58.7 -45.0 77.4 37.0 11.6 113 111 A E H < S+ 0 0 103 -4,-2.2 4,-0.5 1,-0.2 3,-0.2 0.821 110.4 53.7 -68.6 -33.5 76.3 40.7 11.8 114 112 A M H >X S+ 0 0 81 -4,-1.9 3,-1.2 1,-0.2 4,-0.5 0.913 105.4 54.6 -67.1 -41.6 78.9 41.4 14.5 115 113 A K H 3< S+ 0 0 107 -4,-2.4 3,-0.3 1,-0.2 5,-0.3 0.723 99.0 63.3 -65.1 -21.8 81.7 40.1 12.2 116 114 A Q T 3< S+ 0 0 124 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.694 89.9 67.7 -77.3 -18.9 80.6 42.4 9.4 117 115 A K T <4 S+ 0 0 161 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 0.853 118.3 1.9 -70.0 -38.4 81.5 45.6 11.3 118 116 A K S < S- 0 0 166 -4,-0.5 2,-0.7 -3,-0.3 -1,-0.3 -0.949 81.8-112.8-153.1 127.6 85.3 45.1 11.4 119 117 A N + 0 0 126 -2,-0.3 -3,-0.1 -3,-0.2 -4,-0.1 -0.532 52.6 144.2 -71.7 109.1 87.3 42.3 9.8 120 118 A V + 0 0 102 -2,-0.7 -1,-0.2 -5,-0.3 -5,-0.0 -0.026 24.2 159.7-127.9 24.1 88.8 40.1 12.5 121 119 A N 0 0 117 -6,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.285 360.0 360.0 -55.3 126.6 88.3 36.9 10.5 122 120 A R 0 0 292 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.738 360.0 360.0 -90.8 360.0 90.7 34.2 11.8 123 !* 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 0.0 124 5 B A 0 0 78 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 145.4 47.1 -4.9 11.8 125 6 B E - 0 0 150 1,-0.1 66,-0.0 67,-0.0 0, 0.0 -0.571 360.0 -94.1 -87.5 153.9 47.7 -5.0 15.6 126 7 B S - 0 0 63 -2,-0.2 66,-0.2 1,-0.1 67,-0.2 -0.320 24.5-158.2 -63.2 145.7 50.1 -2.7 17.3 127 8 B K + 0 0 17 65,-2.7 14,-2.7 64,-0.1 2,-1.0 0.296 64.5 103.0-105.9 3.7 53.6 -4.2 17.8 128 9 B V E +E 140 0D 27 64,-0.5 12,-0.2 12,-0.2 3,-0.2 -0.763 36.0 165.8 -92.9 99.6 54.5 -1.8 20.6 129 10 B L E S+ 0 0 110 10,-2.2 2,-0.4 -2,-1.0 -1,-0.2 0.871 78.0 18.6 -77.8 -39.0 54.1 -3.7 23.9 130 11 B V E S-E 139 0D 65 9,-1.8 9,-1.8 -3,-0.2 -1,-0.3 -0.987 86.9-125.3-135.8 123.0 56.0 -1.1 25.9 131 12 B K - 0 0 128 -2,-0.4 2,-0.4 7,-0.2 9,-0.0 -0.323 25.5-114.7 -67.1 147.4 56.4 2.5 24.7 132 13 B G + 0 0 10 6,-0.1 5,-0.2 3,-0.0 78,-0.1 -0.694 40.0 174.0 -85.8 129.2 59.8 4.0 24.5 133 14 B T B > -F 136 0E 46 3,-1.2 3,-2.2 -2,-0.4 -117,-0.1 -0.886 51.2 -94.1-129.7 163.0 60.4 6.9 26.8 134 15 B P T 3 S+ 0 0 69 0, 0.0 -118,-0.1 0, 0.0 3,-0.1 0.674 127.5 45.3 -49.4 -15.7 63.5 9.0 27.7 135 16 B F T 3 S+ 0 0 186 1,-0.1 2,-0.3 2,-0.0 -3,-0.0 0.510 116.2 30.0-109.9 -6.5 64.0 6.5 30.6 136 17 B N B < S-F 133 0E 64 -3,-2.2 -3,-1.2 -5,-0.0 -1,-0.1 -0.987 72.1-107.1-152.5 162.4 63.4 3.1 29.0 137 18 B K - 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0 0 51 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.239 28.2-107.4 -79.9 171.9 36.1 -0.2 25.3 378 33 D Q H > S+ 0 0 173 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.898 121.6 49.7 -70.8 -40.2 39.8 -0.5 24.7 379 34 D D H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.879 110.1 54.0 -63.7 -36.7 40.3 3.2 24.1 380 35 D E H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.916 108.1 48.0 -62.6 -44.8 38.4 3.7 27.4 381 36 D V H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.899 111.5 52.4 -63.6 -38.6 40.7 1.4 29.3 382 37 D S H X S+ 0 0 63 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.926 109.9 44.9 -66.0 -44.8 43.8 3.2 27.8 383 38 D L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.895 110.8 57.0 -64.7 -38.7 42.7 6.7 28.7 384 39 D L H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.947 110.4 42.4 -57.5 -48.0 41.8 5.4 32.2 385 40 D L H X S+ 0 0 44 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.827 110.5 57.6 -68.5 -31.2 45.3 4.1 32.7 386 41 D F H X S+ 0 0 34 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.926 108.1 46.1 -64.3 -43.6 46.9 7.2 31.2 387 42 D L H <>S+ 0 0 3 -4,-2.5 5,-1.2 1,-0.2 6,-0.3 0.872 112.8 51.6 -67.6 -32.9 45.1 9.4 33.8 388 43 D K H ><5S+ 0 0 39 -4,-1.6 3,-1.5 -5,-0.2 -2,-0.2 0.918 106.4 53.6 -67.6 -45.7 46.2 6.9 36.5 389 44 D T H 3<5S+ 0 0 104 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.847 105.7 52.0 -59.9 -38.1 49.8 7.1 35.4 390 45 D H T ><5S- 0 0 53 -4,-1.8 3,-3.5 -5,-0.1 -1,-0.3 0.003 107.3-134.1 -89.1 31.0 49.9 10.9 35.6 391 46 D G T < 5 - 0 0 61 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.493 69.6 -38.2 26.2 28.7 48.5 10.4 39.1 392 47 D G T 3 > -N 431 0K 10 0, 0.0 3,-1.8 0, 0.0 4,-1.0 -0.308 39.3-107.9 -57.6 146.7 45.4 19.3 32.3 396 51 D L H >> S+ 0 0 9 34,-3.1 4,-1.5 1,-0.3 3,-0.8 0.863 116.9 57.6 -48.4 -38.6 43.0 19.1 29.4 397 52 D Y H 3> S+ 0 0 12 33,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.784 99.2 57.3 -66.3 -24.9 45.7 19.9 26.8 398 53 D R H <> S+ 0 0 31 -3,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.799 107.6 48.4 -75.4 -26.1 47.9 17.0 27.8 399 54 D I H > + 0 0 67 1,-0.1 4,-1.8 2,-0.0 3,-1.0 -0.455 69.7 172.8-151.4 69.1 39.2 10.6 19.4 408 63 D P H 3> S+ 0 0 18 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.823 78.0 60.1 -48.0 -41.3 40.4 11.4 23.0 409 64 D E H 3> S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.897 107.8 44.0 -58.7 -41.6 37.6 13.8 23.6 410 65 D S H <> S+ 0 0 60 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.901 114.0 48.5 -71.5 -43.0 34.9 11.2 23.0 411 66 D V H X S+ 0 0 14 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.903 112.6 49.7 -63.3 -40.9 36.6 8.5 25.1 412 67 D L H X S+ 0 0 8 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.910 106.1 55.9 -64.7 -42.5 37.1 11.0 27.9 413 68 D K H X S+ 0 0 95 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.909 107.5 49.8 -57.0 -42.9 33.5 12.0 27.8 414 69 D N H X S+ 0 0 45 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.921 108.7 51.3 -63.3 -44.6 32.5 8.3 28.3 415 70 D L H X>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 6,-0.6 0.885 111.5 48.8 -60.5 -37.1 34.8 7.9 31.3 416 71 D M H ><5S+ 0 0 50 -4,-2.4 3,-0.9 4,-0.2 -1,-0.2 0.911 110.4 49.6 -68.4 -41.9 33.3 11.0 32.8 417 72 D D H 3<5S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.848 106.1 57.5 -66.0 -31.6 29.7 9.7 32.2 418 73 D Y H 3<5S- 0 0 20 -4,-2.4 -65,-2.7 -66,-0.2 -64,-0.4 0.678 119.5-112.1 -70.9 -17.9 30.7 6.4 33.8 419 74 D G T <<5S+ 0 0 20 -3,-0.9 19,-0.4 -4,-0.6 18,-0.3 0.636 88.4 112.7 94.7 19.7 31.7 8.3 37.0 420 75 D F S -O 429 0K 33 3,-2.3 3,-1.6 -2,-0.9 -1,-0.0 -0.441 50.5 -60.7-115.2-170.5 41.0 26.2 36.8 427 82 D R T 3 S+ 0 0 107 1,-0.3 3,-0.1 -2,-0.1 -2,-0.0 0.844 128.3 20.9 -35.2 -71.2 43.5 29.0 36.2 428 83 D L T 3 S- 0 0 4 1,-0.2 2,-0.3 -359,-0.0 -1,-0.3 0.183 130.2 -66.5 -94.7 19.7 44.9 28.2 32.7 429 84 D G E < S- O 0 426K 27 -3,-1.6 -3,-2.3 -33,-0.0 -1,-0.2 -0.841 80.6 -14.5 134.2-171.8 42.0 26.0 31.7 430 85 D E E - O 0 425K 28 -2,-0.3 -34,-3.1 -5,-0.2 2,-0.4 -0.445 51.2-162.8 -71.9 138.9 40.2 22.8 32.4 431 86 D K E -NO 395 424K 55 -7,-1.6 -7,-3.5 -36,-0.3 2,-0.4 -0.936 4.8-148.0-122.8 147.1 41.8 20.1 34.5 432 87 D I E +NO 394 423K 0 -38,-1.6 -38,-0.9 -2,-0.4 2,-0.3 -0.903 16.2 175.7-116.1 141.9 40.9 16.3 34.7 433 88 D V E - O 0 422K 46 -11,-2.4 -11,-2.8 -2,-0.4 2,-0.2 -0.998 31.6-113.7-145.2 145.9 41.1 13.9 37.6 434 89 D L E - O 0 421K 15 -2,-0.3 -13,-0.3 -13,-0.2 2,-0.1 -0.507 33.0-130.4 -74.2 143.0 40.2 10.3 38.3 435 90 D T > - 0 0 22 -15,-1.7 4,-2.7 -2,-0.2 5,-0.2 -0.423 32.7 -96.6 -83.7 172.0 37.4 9.9 40.9 436 91 D S H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.894 130.0 49.0 -54.3 -39.6 37.9 7.4 43.7 437 92 D E H > S+ 0 0 22 -18,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.882 108.3 51.8 -70.7 -36.6 35.9 4.9 41.6 438 93 D G H > S+ 0 0 0 -19,-0.4 4,-2.6 2,-0.2 5,-0.2 0.909 110.8 49.1 -65.3 -39.2 38.0 5.6 38.5 439 94 D E H X S+ 0 0 81 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.922 111.3 50.6 -65.7 -40.5 41.1 4.9 40.6 440 95 D F H X S+ 0 0 61 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.937 112.9 43.7 -61.5 -48.2 39.6 1.8 41.9 441 96 D V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.916 113.7 51.5 -65.7 -40.1 38.7 0.4 38.5 442 97 D A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.945 114.0 43.9 -63.4 -46.4 42.1 1.4 37.0 443 98 D Q H X S+ 0 0 73 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.854 110.4 55.0 -67.6 -36.0 43.9 -0.4 39.8 444 99 D A H X S+ 0 0 19 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.890 111.6 44.0 -63.5 -40.6 41.7 -3.4 39.6 445 100 D I H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.928 113.4 51.1 -70.1 -45.6 42.4 -3.9 35.9 446 101 D R H X S+ 0 0 116 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.925 113.2 45.1 -57.3 -47.2 46.1 -3.2 36.4 447 102 D V H X S+ 0 0 61 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.892 112.3 51.0 -65.5 -38.4 46.3 -5.8 39.2 448 103 D R H X S+ 0 0 45 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.927 111.7 47.5 -64.5 -43.9 44.3 -8.3 37.2 449 104 D D H X S+ 0 0 72 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.860 111.8 51.6 -64.2 -36.2 46.5 -7.9 34.2 450 105 D E H X S+ 0 0 110 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.872 106.3 52.2 -70.4 -37.3 49.6 -8.3 36.4 451 106 D E H X S+ 0 0 124 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.844 109.4 51.3 -66.7 -32.8 48.4 -11.5 38.1 452 107 D L H X S+ 0 0 90 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.919 108.9 50.6 -67.5 -44.0 47.9 -12.9 34.6 453 108 D R H X S+ 0 0 145 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.925 112.8 46.4 -59.0 -46.7 51.4 -11.9 33.7 454 109 D L H X S+ 0 0 85 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.899 109.8 53.5 -63.9 -42.4 52.8 -13.6 36.8 455 110 D K H < S+ 0 0 161 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 109.1 49.2 -59.7 -42.9 50.7 -16.7 36.2 456 111 D E H < S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.928 107.7 54.3 -62.7 -45.9 52.1 -17.1 32.7 457 112 D M H < 0 0 140 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.917 360.0 360.0 -53.6 -47.9 55.7 -16.6 34.0 458 113 D K < 0 0 188 -4,-2.2 -3,-0.0 -5,-0.1 0, 0.0 -0.088 360.0 360.0 -65.6 360.0 55.2 -19.5 36.4