==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-JAN-05 1WWS . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TTHA1479; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.WANG,K.MURAYAMA,T.TERADA,M.SHIROUZU,S.KURAMITSU,S.YOKOYAMA . 1184 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 881 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 29 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 675 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 1 5 2 1 6 9 0 8 0 0 0 0 0 0 0 0 0 0 11 0 0 5 0 0 RESIDUES PER ALPHA HELIX . 0 8 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 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 . 8 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 1 A X 0 0 90 0, 0.0 87,-0.2 0, 0.0 86,-0.1 0.000 360.0 360.0 360.0 178.3 68.8 26.0 53.8 2 2 A L - 0 0 0 86,-0.1 2,-0.3 85,-0.1 83,-0.2 0.743 360.0 -15.0 -58.2 -25.6 70.9 29.1 53.0 3 3 A X S S- 0 0 8 81,-0.2 77,-0.0 82,-0.1 26,-0.0 -0.937 92.3 -57.2-162.6-179.9 71.1 30.0 56.6 4 4 A K > - 0 0 136 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.320 45.7-118.8 -68.2 154.5 69.5 29.4 60.1 5 5 A V H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.911 117.6 54.6 -58.4 -40.8 65.8 30.0 60.5 6 6 A A H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.842 107.7 48.3 -62.2 -36.3 66.8 32.6 63.1 7 7 A E H > S+ 0 0 32 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.879 110.2 50.7 -73.8 -38.4 69.0 34.4 60.6 8 8 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.957 112.6 48.1 -60.4 -50.5 66.3 34.4 57.9 9 9 A E H X S+ 0 0 75 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.902 111.2 50.7 -56.8 -43.3 63.9 35.8 60.4 10 10 A R H X S+ 0 0 84 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.910 110.4 47.7 -63.2 -45.3 66.4 38.5 61.5 11 11 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.879 109.8 53.3 -65.0 -37.6 67.1 39.7 58.0 12 12 A F H X S+ 0 0 0 -4,-2.3 6,-2.2 -5,-0.2 4,-1.7 0.870 114.0 43.2 -65.7 -35.0 63.4 39.9 57.1 13 13 A R H X S+ 0 0 127 -4,-1.7 4,-1.7 4,-0.3 -2,-0.2 0.951 117.9 42.5 -74.6 -51.0 62.8 42.0 60.2 14 14 A Q H < S+ 0 0 81 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.831 121.2 42.4 -64.5 -33.5 65.9 44.3 59.8 15 15 A A H < S- 0 0 5 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.2 0.893 141.6 -6.7 -81.9 -43.4 65.3 44.6 56.0 16 16 A A H < S- 0 0 12 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.328 87.9-110.9-138.3 6.4 61.6 45.1 55.8 17 17 A G < + 0 0 52 -4,-1.7 2,-0.3 -5,-0.4 -4,-0.3 0.876 69.4 147.5 62.1 37.9 60.1 44.6 59.2 18 18 A L - 0 0 1 -6,-2.2 2,-0.3 -9,-0.1 -1,-0.2 -0.774 43.1-138.8-109.1 152.0 58.5 41.4 58.0 19 19 A D - 0 0 93 111,-3.3 2,-0.4 -2,-0.3 -9,-0.0 -0.809 19.7-165.5-105.4 147.4 57.7 38.1 59.8 20 20 A V - 0 0 14 -2,-0.3 2,-0.2 111,-0.1 -11,-0.1 -0.995 5.0-162.2-138.3 141.8 58.2 34.7 58.3 21 21 A D > - 0 0 60 -2,-0.4 4,-2.1 1,-0.0 3,-0.3 -0.507 42.4 -87.1-110.3-177.6 57.1 31.2 59.0 22 22 A K H > S+ 0 0 177 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.885 123.7 55.5 -57.6 -46.5 58.3 27.7 58.0 23 23 A N H > S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.873 111.3 48.7 -55.8 -36.4 56.2 27.5 54.8 24 24 A D H > S+ 0 0 11 -3,-0.3 4,-3.1 2,-0.2 5,-0.2 0.969 107.9 50.5 -68.0 -56.5 57.8 30.8 53.8 25 25 A L H X S+ 0 0 3 -4,-2.1 4,-3.4 1,-0.2 5,-0.3 0.843 106.6 51.6 -55.3 -43.6 61.5 29.9 54.4 26 26 A K H X S+ 0 0 88 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.920 117.3 40.5 -62.5 -41.9 61.7 26.6 52.6 27 27 A R H X S+ 0 0 31 -4,-1.0 4,-2.1 -5,-0.3 -2,-0.2 0.926 118.8 46.2 -70.0 -45.7 60.2 28.2 49.5 28 28 A V H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.928 112.1 50.7 -62.7 -47.7 62.2 31.4 49.8 29 29 A S H X S+ 0 0 1 -4,-3.4 4,-2.6 -5,-0.2 -1,-0.2 0.930 112.1 46.0 -58.7 -47.7 65.5 29.6 50.5 30 30 A D H X S+ 0 0 14 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.904 113.0 50.5 -63.8 -40.1 65.2 27.3 47.5 31 31 A F H X S+ 0 0 10 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.937 116.2 40.0 -62.5 -48.5 64.2 30.2 45.2 32 32 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.823 111.6 58.0 -71.7 -31.1 67.1 32.4 46.4 33 33 A R H X S+ 0 0 18 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.941 107.9 47.2 -61.8 -46.7 69.4 29.3 46.4 34 34 A N H X S+ 0 0 44 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.864 111.1 51.5 -62.5 -37.1 68.6 28.8 42.7 35 35 A K H X S+ 0 0 15 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.914 111.7 46.3 -65.9 -41.5 69.2 32.5 42.0 36 36 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.900 111.1 52.9 -67.3 -40.3 72.6 32.3 43.7 37 37 A Y H X S+ 0 0 43 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.915 107.2 52.6 -59.8 -43.3 73.3 29.2 41.8 38 38 A D H X S+ 0 0 26 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.870 105.0 53.8 -62.2 -36.8 72.5 31.0 38.6 39 39 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.942 112.8 45.3 -61.0 -44.1 74.9 33.8 39.4 40 40 A L H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.859 108.8 55.0 -66.7 -37.4 77.6 31.1 39.8 41 41 A A H X S+ 0 0 35 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.901 112.3 43.4 -64.0 -40.0 76.6 29.3 36.6 42 42 A V H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.877 110.8 56.8 -71.7 -36.1 77.0 32.6 34.7 43 43 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.896 103.8 53.0 -61.3 -40.3 80.2 33.2 36.6 44 44 A E H X S+ 0 0 25 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.919 108.0 50.3 -61.0 -43.6 81.6 29.9 35.5 45 45 A R H X S+ 0 0 143 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.901 112.1 48.4 -61.1 -40.5 80.9 30.9 31.9 46 46 A N H X S+ 0 0 8 -4,-2.3 4,-1.6 13,-0.2 -2,-0.2 0.878 108.5 52.8 -69.8 -36.9 82.7 34.2 32.5 47 47 A A H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-0.4 0.961 112.6 44.8 -61.9 -48.9 85.7 32.5 34.1 48 48 A K H ><5S+ 0 0 100 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.875 108.0 58.4 -62.2 -37.3 86.0 30.2 31.0 49 49 A Y H 3<5S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.849 107.8 47.5 -60.3 -34.2 85.5 33.2 28.7 50 50 A N T 3<5S- 0 0 31 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.192 121.0-107.1 -94.2 17.5 88.5 34.8 30.3 51 51 A G T < 5S+ 0 0 72 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.784 75.9 131.9 65.5 29.6 90.7 31.7 30.1 52 52 A R < - 0 0 50 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.828 50.0-157.4-112.8 151.2 90.7 30.9 33.8 53 53 A D S S+ 0 0 129 -2,-0.3 45,-0.7 -3,-0.1 2,-0.3 0.033 80.9 65.5-111.9 26.0 90.0 27.6 35.5 54 54 A L E S-a 98 0A 58 43,-0.2 2,-0.5 -7,-0.1 45,-0.2 -0.991 81.4-126.3-145.8 136.2 88.9 29.3 38.7 55 55 A I E -a 99 0A 0 43,-2.3 45,-3.4 -2,-0.3 48,-0.3 -0.752 29.7-173.8 -88.9 124.6 85.9 31.6 39.3 56 56 A F >> - 0 0 61 -2,-0.5 3,-1.4 -13,-0.2 4,-0.5 -0.635 39.9 -92.9-110.1 171.7 86.8 35.0 40.8 57 57 A E G >4 S+ 0 0 72 1,-0.3 3,-1.6 -2,-0.2 -1,-0.0 0.864 118.8 58.9 -54.3 -45.1 84.5 37.8 42.1 58 58 A P G 34 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.754 95.0 67.7 -58.6 -22.7 84.3 39.8 38.9 59 59 A D G <4 S+ 0 0 2 -3,-1.4 -13,-0.2 2,-0.1 -2,-0.2 0.775 78.9 92.2 -67.1 -29.4 82.9 36.8 37.1 60 60 A L S << S- 0 0 5 -3,-1.6 2,-2.3 -4,-0.5 -20,-0.1 -0.532 85.9-126.3 -67.8 130.2 79.7 37.0 39.1 61 61 A P + 0 0 4 0, 0.0 2,-0.8 0, 0.0 151,-0.2 -0.442 48.5 160.5 -79.8 70.4 77.1 39.1 37.2 62 62 A I - 0 0 11 -2,-2.3 149,-0.1 -4,-0.2 235,-0.1 -0.824 26.8-152.4 -98.3 104.0 76.5 41.5 40.1 63 63 A A >> - 0 0 5 -2,-0.8 4,-2.2 233,-0.4 3,-0.7 -0.355 31.7-101.9 -71.9 157.4 74.9 44.8 38.9 64 64 A K H 3> S+ 0 0 122 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.820 120.5 55.3 -48.4 -40.8 75.5 47.9 40.9 65 65 A G H 3> S+ 0 0 4 2,-0.2 4,-1.7 1,-0.2 232,-0.3 0.901 109.4 45.7 -63.3 -40.4 72.1 47.8 42.5 66 66 A L H <> S+ 0 0 1 -3,-0.7 4,-2.1 230,-0.7 -1,-0.2 0.882 111.0 54.5 -69.7 -34.5 72.7 44.3 43.9 67 67 A Q H X S+ 0 0 40 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.913 106.8 50.6 -64.4 -41.5 76.1 45.4 45.0 68 68 A E H X S+ 0 0 84 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.887 108.9 51.8 -62.9 -37.7 74.6 48.2 47.0 69 69 A T H X S+ 0 0 5 -4,-1.7 4,-2.8 226,-0.3 -1,-0.2 0.883 107.0 52.9 -66.1 -36.6 72.1 45.7 48.5 70 70 A L H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.923 110.5 47.6 -62.6 -43.3 75.1 43.5 49.5 71 71 A Q H X S+ 0 0 73 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.864 109.9 52.7 -65.5 -34.4 76.6 46.6 51.2 72 72 A E H < S+ 0 0 56 -4,-2.1 3,-0.5 2,-0.2 -2,-0.2 0.929 110.3 48.9 -64.7 -44.3 73.3 47.3 52.9 73 73 A F H >< S+ 0 0 6 -4,-2.8 3,-2.4 1,-0.2 5,-0.4 0.929 105.9 55.6 -60.4 -48.0 73.4 43.7 54.1 74 74 A R H >< S+ 0 0 101 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.784 100.9 60.2 -57.0 -27.7 76.9 44.0 55.4 75 75 A R T 3< S+ 0 0 150 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.485 88.4 75.9 -80.2 -0.8 75.7 47.0 57.5 76 76 A X T < S- 0 0 13 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.2 0.307 96.8-130.1 -93.3 8.6 73.3 44.8 59.3 77 77 A D < + 0 0 133 -3,-0.9 2,-0.4 1,-0.2 -3,-0.1 0.867 62.7 135.0 44.7 48.4 75.9 43.1 61.5 78 78 A T - 0 0 10 -5,-0.4 2,-0.4 -4,-0.1 -1,-0.2 -0.791 39.1-162.8-128.4 87.9 74.6 39.6 60.6 79 79 A A - 0 0 95 -2,-0.4 2,-0.3 -3,-0.1 30,-0.0 -0.589 8.8-157.4 -76.3 123.9 77.5 37.3 59.9 80 80 A L - 0 0 21 -2,-0.4 2,-0.1 -77,-0.0 29,-0.1 -0.797 15.5-116.3-105.3 143.9 76.4 34.2 58.0 81 81 A E > - 0 0 135 -2,-0.3 4,-0.5 1,-0.1 -1,-0.0 -0.440 12.0-140.4 -76.3 149.5 78.3 30.9 57.8 82 82 A L H >> S+ 0 0 39 1,-0.2 4,-2.0 2,-0.1 3,-0.8 0.904 91.1 65.3 -75.1 -44.0 79.6 29.6 54.5 83 83 A K H 3> S+ 0 0 129 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.852 95.4 54.0 -52.7 -46.4 78.8 25.9 54.9 84 84 A P H 3> S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.874 110.5 49.7 -58.6 -33.3 75.0 26.2 55.0 85 85 A V H < S+ 0 0 13 -4,-2.1 3,-1.5 -5,-0.3 -2,-0.2 0.931 111.4 49.4 -60.7 -45.8 72.2 24.3 49.9 89 89 A L H >< S+ 0 0 18 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.751 97.4 71.1 -66.5 -22.9 74.0 24.7 46.5 90 90 A A T 3< S+ 0 0 77 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.645 81.1 72.7 -68.9 -14.8 75.1 21.0 46.6 91 91 A A T < S+ 0 0 63 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.672 96.9 62.6 -72.6 -14.7 71.5 20.0 45.9 92 92 A L S < S- 0 0 33 -3,-1.6 -58,-0.0 -4,-0.2 0, 0.0 -0.642 109.4 -70.1-107.3 164.8 72.1 21.3 42.4 93 93 A P - 0 0 86 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.254 57.0-114.0 -54.6 133.2 74.5 20.1 39.7 94 94 A P - 0 0 119 0, 0.0 -4,-0.0 0, 0.0 2,-0.0 -0.425 27.8-116.7 -71.4 144.3 78.1 20.9 40.7 95 95 A L - 0 0 42 2,-0.1 -54,-0.1 1,-0.1 -55,-0.0 -0.291 14.9-126.7 -72.9 165.1 80.0 23.4 38.5 96 96 A D S S+ 0 0 126 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.854 90.9 59.9 -80.1 -38.3 83.1 22.3 36.6 97 97 A L S S- 0 0 25 1,-0.0 2,-0.2 -43,-0.0 -43,-0.2 -0.671 81.5-126.1 -97.0 147.7 85.3 25.1 38.0 98 98 A E E -a 54 0A 147 -45,-0.7 -43,-2.3 -2,-0.3 2,-0.3 -0.531 28.7-118.4 -83.3 154.3 86.2 25.7 41.6 99 99 A V E -a 55 0A 27 -45,-0.2 -43,-0.2 -2,-0.2 -1,-0.1 -0.712 28.9-112.3 -94.2 148.3 85.5 29.2 43.0 100 100 A A >> - 0 0 6 -45,-3.4 4,-2.2 -2,-0.3 3,-0.8 -0.270 33.5 -99.2 -73.2 165.0 88.4 31.3 44.3 101 101 A E H 3> S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.842 121.3 53.7 -54.2 -41.8 88.8 32.1 48.0 102 102 A D H 3> S+ 0 0 111 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.805 110.4 48.3 -67.7 -27.3 87.3 35.6 47.7 103 103 A V H <> S+ 0 0 0 -3,-0.8 4,-2.2 -48,-0.3 -2,-0.2 0.895 107.2 55.8 -77.4 -41.0 84.2 34.2 46.1 104 104 A R H < S+ 0 0 87 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.950 111.0 43.6 -54.4 -51.8 83.8 31.5 48.7 105 105 A N H X S+ 0 0 97 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.781 112.0 55.6 -66.1 -25.9 83.8 34.1 51.5 106 106 A L H >X S+ 0 0 3 -4,-0.9 4,-2.4 -5,-0.2 3,-0.6 0.838 88.7 78.1 -75.2 -33.8 81.4 36.2 49.4 107 107 A L H 3X S+ 0 0 2 -4,-2.2 4,-2.5 -3,-0.3 5,-0.2 0.873 92.9 47.1 -43.9 -54.8 78.8 33.5 48.9 108 108 A P H 3> S+ 0 0 10 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.876 112.4 51.7 -59.0 -35.4 77.2 33.8 52.4 109 109 A E H < - 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0 0 20 -5,-0.4 2,-0.6 -4,-0.2 -1,-0.2 -0.943 34.5-157.0-122.4 109.2 61.2 45.9 18.0 228 79 B A - 0 0 94 -2,-0.5 2,-0.3 -3,-0.1 30,-0.0 -0.757 10.2-168.3 -90.1 122.5 64.3 47.5 16.5 229 80 B L - 0 0 23 -2,-0.6 2,-0.1 -77,-0.0 29,-0.1 -0.851 23.8-110.1-110.5 145.9 65.7 50.5 18.5 230 81 B E > - 0 0 104 -2,-0.3 4,-0.5 1,-0.1 -1,-0.0 -0.402 11.3-146.6 -74.4 148.7 68.3 52.9 17.2 231 82 B L H >> S+ 0 0 47 2,-0.1 4,-2.2 1,-0.1 3,-0.9 0.913 88.9 67.6 -79.4 -45.4 71.8 53.0 18.7 232 83 B K H 3> S+ 0 0 152 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.840 97.1 50.9 -43.6 -52.6 72.5 56.8 18.3 233 84 B P H 3> S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.869 111.6 49.4 -58.8 -36.0 69.9 57.9 20.9 234 85 B V H < S+ 0 0 15 -4,-2.0 3,-1.2 -5,-0.2 -2,-0.2 0.931 112.4 46.7 -65.4 -44.9 71.9 59.7 26.2 238 89 B L H >< S+ 0 0 18 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.758 97.4 72.3 -68.3 -26.2 74.9 58.1 27.8 239 90 B A T 3< S+ 0 0 79 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.617 81.5 71.8 -66.7 -12.6 77.3 60.8 26.6 240 91 B A T < S+ 0 0 75 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.665 98.3 60.1 -74.7 -15.8 75.7 63.2 29.2 241 92 B L S < S- 0 0 40 -3,-1.9 -58,-0.0 -4,-0.2 0, 0.0 -0.675 113.3 -64.8-106.7 164.6 77.6 61.1 31.7 242 93 B P - 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0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.217 57.7-110.2 -53.8 135.1 50.1 -16.7 45.9 1137 94 H P - 0 0 123 0, 0.0 2,-0.1 0, 0.0 4,-0.1 -0.255 32.9-112.8 -64.1 155.6 49.9 -16.3 49.7 1138 95 H L - 0 0 41 2,-0.2 -54,-0.1 1,-0.1 4,-0.0 -0.471 16.0-122.9 -85.3 162.3 51.4 -13.1 51.2 1139 96 H D S S+ 0 0 112 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.713 97.6 45.6 -76.5 -21.1 54.6 -13.3 53.4 1140 97 H L S S- 0 0 30 -43,-0.0 -2,-0.2 0, 0.0 -43,-0.1 -0.905 84.2-122.0-123.3 151.1 52.6 -11.5 56.2 1141 98 H E E -h 1097 0H 160 -45,-0.5 -43,-2.2 -2,-0.3 2,-0.3 -0.436 31.9-118.2 -83.1 163.4 49.2 -12.1 57.6 1142 99 H V E -h 1098 0H 37 -45,-0.2 -43,-0.2 -2,-0.1 -1,-0.1 -0.756 28.0 -98.9-105.4 154.0 46.6 -9.3 57.6 1143 100 H A > - 0 0 6 -45,-3.1 4,-2.2 -2,-0.3 3,-0.5 -0.269 35.2-112.1 -63.1 155.8 45.0 -7.7 60.6 1144 101 H E H > S+ 0 0 99 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.893 119.2 53.7 -56.0 -43.5 41.5 -8.9 61.5 1145 102 H D H > S+ 0 0 123 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.813 107.8 50.8 -62.4 -32.9 40.1 -5.5 60.5 1146 103 H V H >> S+ 0 0 0 -3,-0.5 4,-1.4 -48,-0.2 3,-0.7 0.926 106.6 54.1 -70.6 -44.8 41.7 -5.8 57.1 1147 104 H R H 3< S+ 0 0 106 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.892 110.7 45.6 -56.2 -42.0 40.3 -9.3 56.5 1148 105 H N H 3< S+ 0 0 83 -4,-1.9 4,-0.4 1,-0.2 -1,-0.3 0.666 108.4 58.2 -77.5 -14.9 36.8 -8.1 57.1 1149 106 H L H S+ 0 0 7 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.892 111.5 48.8 -62.2 -37.0 34.6 -8.0 51.0 1152 109 H E H > S+ 0 0 61 -4,-0.4 4,-2.5 -3,-0.4 -2,-0.2 0.857 109.0 52.7 -70.0 -35.5 33.6 -4.3 51.2 1153 110 H L H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.882 105.9 53.7 -66.4 -38.1 36.6 -3.4 49.0 1154 111 H A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.922 110.1 48.6 -61.0 -42.4 35.4 -6.0 46.4 1155 112 H G H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.918 110.4 49.9 -62.6 -44.3 32.1 -4.2 46.5 1156 113 H A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.889 109.7 51.7 -61.8 -39.8 33.7 -0.8 46.1 1157 114 H L H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.899 108.7 50.6 -64.6 -40.0 35.7 -2.2 43.1 1158 115 H V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.907 111.2 49.4 -64.1 -40.0 32.5 -3.5 41.5 1159 116 H V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.904 113.6 44.4 -65.9 -42.3 30.9 -0.0 42.0 1160 117 H A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.896 115.0 50.0 -68.6 -39.1 33.8 1.8 40.5 1161 118 H Y H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 3,-0.4 0.942 110.8 48.4 -64.2 -47.7 34.0 -0.7 37.7 1162 119 H A H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.934 112.8 48.7 -58.7 -45.7 30.2 -0.4 37.0 1163 120 H R H X S+ 0 0 51 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.739 106.3 56.6 -68.5 -22.7 30.5 3.4 36.9 1164 121 H V H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.4 3,-0.3 0.916 106.1 50.4 -72.1 -43.1 33.5 3.2 34.6 1165 122 H L H X S+ 0 0 6 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.877 108.3 55.0 -59.8 -35.8 31.4 1.3 32.1 1166 123 H K H < S+ 0 0 90 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 107.9 46.8 -67.5 -35.8 28.8 4.0 32.5 1167 124 H E H < S+ 0 0 22 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.881 107.3 56.9 -73.6 -39.6 31.2 6.8 31.6 1168 125 H L H < S+ 0 0 5 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.915 129.9 11.0 -57.0 -46.0 32.6 5.0 28.6 1169 126 H D >< - 0 0 47 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.3 -0.749 68.6-174.2-138.7 87.3 29.1 4.7 27.1 1170 127 H P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.785 88.3 50.7 -49.6 -35.5 26.5 6.8 28.9 1171 128 H A T 3 S+ 0 0 88 2,-0.0 -5,-0.1 0, 0.0 2,-0.0 0.622 87.9 110.8 -81.5 -13.9 23.6 5.4 26.8 1172 129 H L < + 0 0 43 -3,-1.8 -3,-0.1 -6,-0.2 -4,-0.0 -0.318 27.0 158.1 -65.6 143.2 24.7 1.8 27.5 1173 130 H K S S+ 0 0 142 -112,-0.1 -111,-3.6 -111,-0.1 -1,-0.1 0.390 72.7 48.4-138.4 -15.7 22.6 -0.4 29.8 1174 131 H N S S- 0 0 95 -113,-0.2 -111,-0.1 -111,-0.0 -113,-0.1 -0.649 79.4-157.0-131.7 74.5 23.7 -3.9 28.7 1175 132 H P - 0 0 5 0, 0.0 -111,-0.5 0, 0.0 2,-0.2 -0.149 11.4-164.3 -53.5 144.8 27.5 -4.0 28.7 1176 133 H Q > - 0 0 107 -113,-0.1 4,-2.4 -109,-0.0 3,-0.4 -0.546 39.3 -79.0-119.4-173.4 29.1 -6.6 26.5 1177 134 H T H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.908 127.9 52.4 -55.7 -48.2 32.6 -8.1 26.2 1178 135 H E H > S+ 0 0 115 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.822 110.9 49.4 -59.7 -31.8 34.1 -5.2 24.3 1179 136 H H H > S+ 0 0 15 -3,-0.4 4,-2.1 2,-0.2 3,-0.2 0.921 110.1 48.7 -73.6 -44.9 32.8 -2.9 27.0 1180 137 H H H X S+ 0 0 8 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.826 107.9 57.5 -63.4 -31.0 34.3 -5.0 29.8 1181 138 H E H X S+ 0 0 107 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.873 108.4 44.2 -68.4 -37.3 37.5 -5.0 27.9 1182 139 H R H X S+ 0 0 25 -4,-1.2 4,-2.3 -3,-0.2 -2,-0.2 0.867 109.3 55.8 -74.7 -37.3 37.8 -1.2 27.8 1183 140 H A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.889 106.9 52.7 -60.5 -38.6 36.8 -0.9 31.5 1184 141 H E H X S+ 0 0 37 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.939 107.3 49.8 -62.6 -47.8 39.7 -3.2 32.2 1185 142 H R H X S+ 0 0 107 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.895 111.9 48.8 -59.4 -40.8 42.2 -1.1 30.3 1186 143 H V H >X S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 4,-0.5 0.939 111.8 48.9 -63.6 -47.1 40.9 2.0 32.2 1187 144 H F H >X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 3,-1.6 0.904 103.8 60.6 -58.6 -43.1 41.2 0.2 35.6 1188 145 H N H 3< S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.696 93.5 66.3 -59.2 -20.9 44.8 -0.9 34.7 1189 146 H L H << S+ 0 0 19 -3,-1.1 -226,-0.3 -4,-0.7 -1,-0.3 0.792 122.2 12.9 -71.1 -28.3 45.9 2.7 34.4 1190 147 H L H << 0 0 4 -3,-1.6 -230,-1.7 -4,-0.5 -233,-0.4 0.689 360.0 360.0-119.5 -32.7 45.3 3.3 38.1 1191 148 H L < 0 0 11 -4,-3.4 -1,-0.2 -232,-0.3 -112,-0.1 -0.809 360.0 360.0-110.8 360.0 44.9 -0.1 39.9