==== 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 UNKNOWN FUNCTION 07-MAR-06 2GA1 . COMPND 2 MOLECULE: PROTEIN OF UNKNOWN FUNCTION DUF433; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA VARIABILIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 202 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 67.8 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 . 10 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 47.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 3 2 1 0 2 0 1 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 . 2 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 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 1 A X 0 0 224 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.5 52.8 32.7 44.3 2 2 A N > - 0 0 82 1,-0.1 4,-2.2 2,-0.0 5,-0.1 -0.862 360.0-167.6 -99.2 109.8 52.3 31.4 40.7 3 3 A K H > S+ 0 0 91 -2,-0.7 4,-2.2 1,-0.2 -1,-0.1 0.760 86.5 57.9 -69.9 -27.5 49.4 33.2 39.1 4 4 A K H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 109.9 43.4 -67.2 -44.5 49.2 30.7 36.2 5 5 A T H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.862 112.5 53.3 -72.0 -32.7 48.7 27.9 38.7 6 6 A Q H X S+ 0 0 63 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.919 107.7 51.7 -61.9 -43.6 46.2 30.1 40.6 7 7 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.926 108.4 51.4 -58.6 -44.4 44.4 30.6 37.2 8 8 A L H X S+ 0 0 67 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.912 110.1 50.3 -58.3 -40.7 44.3 26.8 36.8 9 9 A E H X S+ 0 0 86 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.904 111.6 46.1 -64.4 -44.0 42.8 26.5 40.3 10 10 A V H < S+ 0 0 10 -4,-2.3 3,-0.4 2,-0.2 4,-0.4 0.921 111.2 50.7 -71.7 -42.6 40.1 29.0 39.7 11 11 A I H >< S+ 0 0 10 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.917 108.5 53.4 -58.9 -40.9 39.0 27.7 36.3 12 12 A A H 3< S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 109.4 49.8 -62.3 -29.4 38.8 24.2 37.8 13 13 A A T 3< S+ 0 0 65 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.394 86.5 115.3 -86.1 1.2 36.4 25.6 40.5 14 14 A L S < S- 0 0 4 -3,-1.5 5,-0.1 -4,-0.4 118,-0.1 -0.510 71.8-115.5 -77.8 130.5 34.2 27.4 38.0 15 15 A P >> - 0 0 63 0, 0.0 3,-2.7 0, 0.0 4,-0.7 -0.377 26.3-116.3 -61.5 144.8 30.5 26.2 37.7 16 16 A E H >> S+ 0 0 94 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.846 113.2 63.4 -43.0 -40.7 29.7 24.8 34.3 17 17 A E H 34 S+ 0 0 156 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.612 104.6 44.8 -69.0 -18.0 27.2 27.6 33.7 18 18 A L H <> S+ 0 0 20 -3,-2.7 4,-1.9 2,-0.1 -1,-0.3 0.495 87.7 89.3-103.6 -6.4 30.0 30.2 33.8 19 19 A V H S+ 0 0 50 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.913 111.1 46.7 -55.0 -44.8 31.3 33.4 29.7 22 22 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.876 110.0 53.4 -67.3 -37.2 35.0 32.9 30.7 23 23 A L H X S+ 0 0 18 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.939 110.3 47.7 -60.6 -46.7 35.8 31.4 27.3 24 24 A N H X S+ 0 0 96 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.907 110.5 51.9 -62.8 -41.3 34.3 34.5 25.6 25 25 A Y H X S+ 0 0 58 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.950 110.3 47.7 -60.2 -48.0 36.2 36.8 27.9 26 26 A V H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.871 109.3 53.5 -65.9 -35.8 39.5 35.1 27.2 27 27 A Q H X S+ 0 0 137 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.918 109.1 49.9 -58.8 -45.1 38.8 35.2 23.4 28 28 A X H >< S+ 0 0 127 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.937 109.1 52.7 -60.3 -44.5 38.3 38.9 23.8 29 29 A L H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.865 114.6 40.6 -54.9 -41.7 41.6 39.2 25.7 30 30 A Q H 3< S+ 0 0 67 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.489 85.2 120.7 -87.5 -11.5 43.6 37.4 22.9 31 31 A N << - 0 0 69 -4,-1.0 16,-0.1 -3,-0.7 -3,-0.0 -0.387 64.6-138.0 -58.1 125.9 41.8 39.1 20.0 32 32 A P S S+ 0 0 35 0, 0.0 15,-3.2 0, 0.0 2,-0.5 0.768 93.0 70.0 -52.5 -26.5 44.3 41.0 17.8 33 33 A I E S-A 46 0A 14 13,-0.2 2,-0.4 11,-0.1 13,-0.2 -0.866 71.7-175.4-100.6 123.4 41.7 43.8 17.7 34 34 A Q E -A 45 0A 31 11,-3.2 11,-2.2 -2,-0.5 2,-0.4 -0.926 13.6-169.5-121.3 142.9 41.2 45.6 21.0 35 35 A I + 0 0 96 -2,-0.4 9,-0.1 9,-0.2 5,-0.1 -0.955 22.1 146.0-130.9 114.6 38.7 48.3 22.0 36 36 A T > - 0 0 58 3,-0.4 3,-1.6 -2,-0.4 6,-0.8 -0.996 50.2-123.9-145.0 145.4 39.1 50.2 25.3 37 37 A P T 3 S+ 0 0 114 0, 0.0 4,-0.2 0, 0.0 6,-0.1 0.818 106.4 56.3 -55.4 -29.8 38.2 53.7 26.3 38 38 A G T 3 S+ 0 0 68 3,-0.2 2,-0.4 2,-0.1 -3,-0.0 0.370 99.6 63.5 -90.4 3.0 41.8 54.5 27.6 39 39 A V S X S- 0 0 24 -3,-1.6 3,-1.6 1,-0.1 -3,-0.4 -0.999 118.0 -10.3-128.1 132.1 43.7 53.6 24.4 40 40 A C G > S- 0 0 32 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.803 119.6 -68.1 55.5 35.7 43.3 55.4 21.0 41 41 A G G 3 S- 0 0 78 1,-0.3 -1,-0.3 -4,-0.2 -3,-0.2 0.811 95.6 -55.1 55.8 35.7 40.3 57.3 22.3 42 42 A G G < S+ 0 0 29 -3,-1.6 -1,-0.3 -6,-0.8 2,-0.2 0.569 102.0 141.7 72.1 12.0 38.3 54.1 22.4 43 43 A Q < - 0 0 52 -3,-1.8 -7,-0.4 -4,-0.3 -1,-0.3 -0.575 64.2 -91.8 -81.8 151.2 39.0 53.3 18.7 44 44 A A + 0 0 1 -2,-0.2 9,-2.2 -9,-0.1 10,-0.5 -0.349 59.5 170.6 -64.1 132.8 39.7 49.7 17.5 45 45 A R E -AB 34 52A 31 -11,-2.2 -11,-3.2 7,-0.3 2,-0.4 -0.919 39.1 -85.8-142.0 168.5 43.4 49.1 17.7 46 46 A I E > -A 33 0A 0 5,-2.0 3,-1.7 -2,-0.3 5,-0.4 -0.649 56.7 -98.8 -82.6 127.2 46.0 46.4 17.4 47 47 A R T 3 S+ 0 0 47 -15,-3.2 -1,-0.1 -2,-0.4 3,-0.1 -0.168 106.8 12.5 -44.1 136.5 46.6 44.6 20.6 48 48 A N T 3 S+ 0 0 122 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.633 118.5 80.2 67.4 19.2 49.8 45.8 22.4 49 49 A T S < S- 0 0 33 -3,-1.7 -1,-0.2 2,-0.1 -4,-0.0 -0.887 76.6-130.9-137.1 169.6 50.0 48.9 20.2 50 50 A R + 0 0 199 -2,-0.3 -3,-0.1 -3,-0.1 -10,-0.0 -0.165 69.4 122.3-110.5 39.2 48.5 52.4 19.8 51 51 A I - 0 0 41 -5,-0.4 -5,-2.0 -4,-0.0 2,-0.1 -0.875 56.2-142.2 -99.3 109.0 47.9 51.8 16.1 52 52 A P B >> -B 45 0A 15 0, 0.0 3,-1.2 0, 0.0 4,-1.1 -0.434 16.6-123.6 -72.6 145.3 44.2 52.1 15.2 53 53 A V H 3> S+ 0 0 0 -9,-2.2 4,-2.4 1,-0.2 3,-0.5 0.886 109.4 64.9 -46.5 -40.2 42.6 49.8 12.7 54 54 A W H 3> S+ 0 0 72 -10,-0.5 4,-2.4 1,-0.3 -1,-0.2 0.824 97.2 53.2 -61.9 -31.1 41.6 53.0 10.7 55 55 A T H <> S+ 0 0 31 -3,-1.2 4,-2.1 2,-0.2 -1,-0.3 0.884 110.0 47.3 -72.0 -38.5 45.1 53.9 10.0 56 56 A L H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.5 -2,-0.2 0.894 112.5 49.4 -68.3 -40.6 45.9 50.5 8.5 57 57 A V H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.927 109.6 52.4 -61.8 -42.9 42.7 50.6 6.4 58 58 A A H X S+ 0 0 22 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.915 110.8 46.9 -61.1 -43.8 43.6 54.1 5.2 59 59 A Y H ><>S+ 0 0 110 -4,-2.1 5,-2.4 2,-0.2 3,-0.6 0.934 112.7 49.4 -63.8 -44.9 47.1 52.9 4.1 60 60 A R H ><5S+ 0 0 118 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.894 108.2 53.8 -58.3 -41.4 45.5 49.8 2.4 61 61 A Q H 3<5S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.737 105.7 54.1 -72.0 -20.6 43.0 52.0 0.6 62 62 A Q T <<5S- 0 0 165 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.289 131.2 -93.7 -89.2 8.2 45.9 54.1 -0.7 63 63 A G T < 5S+ 0 0 61 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.531 70.9 152.0 97.1 9.2 47.6 51.0 -2.2 64 64 A A < - 0 0 10 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.1 -0.602 37.5-141.9 -71.9 121.1 49.9 49.8 0.6 65 65 A P >> - 0 0 57 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.453 25.2-103.5 -82.2 166.0 50.3 46.0 0.3 66 66 A D H 3> S+ 0 0 70 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.857 118.9 59.6 -55.0 -39.4 50.5 43.9 3.3 67 67 A K H 3> S+ 0 0 167 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.828 104.7 50.4 -63.4 -34.4 54.2 43.4 3.0 68 68 A E H <> S+ 0 0 92 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.909 108.8 50.8 -65.8 -44.6 54.8 47.1 3.2 69 69 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.922 112.2 48.2 -60.4 -40.8 52.7 47.5 6.4 70 70 A L H < S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.4 47.0 -72.6 -33.0 54.7 44.7 8.0 71 71 A A H < S+ 0 0 78 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.872 115.1 47.6 -70.7 -40.8 58.1 46.1 7.0 72 72 A N H < S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.854 121.8 32.5 -69.4 -38.0 57.1 49.5 8.3 73 73 A Y S >< S- 0 0 65 -4,-2.1 3,-2.4 -5,-0.2 -1,-0.3 -0.778 70.6-174.9-126.9 80.1 55.6 48.4 11.6 74 74 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.505 77.6 68.6 -63.1 -5.1 57.7 45.4 12.6 75 75 A G T 3 S+ 0 0 68 2,-0.1 2,-0.1 -3,-0.0 -5,-0.1 0.685 85.6 87.9 -78.9 -22.3 55.5 44.8 15.7 76 76 A L < - 0 0 12 -3,-2.4 2,-0.3 -7,-0.2 -3,-0.0 -0.447 61.5-158.7 -79.5 152.7 52.6 43.8 13.4 77 77 A T > - 0 0 69 -2,-0.1 4,-1.6 1,-0.1 3,-0.3 -0.785 34.8-106.1-116.2 168.4 51.9 40.3 12.2 78 78 A A H > S+ 0 0 64 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.886 122.1 58.1 -59.6 -38.8 49.9 39.0 9.3 79 79 A E H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 103.7 53.2 -58.6 -37.8 47.2 37.8 11.8 80 80 A D H > S+ 0 0 22 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.901 112.0 43.3 -62.6 -45.6 47.0 41.4 12.9 81 81 A L H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.911 112.9 51.8 -68.9 -44.6 46.4 42.7 9.4 82 82 A S H X S+ 0 0 73 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.910 111.2 48.1 -56.2 -43.4 44.0 39.9 8.5 83 83 A A H X S+ 0 0 18 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.896 109.8 53.1 -65.1 -41.9 42.0 40.7 11.7 84 84 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 109.5 48.1 -55.6 -46.4 42.0 44.5 10.8 85 85 A W H X S+ 0 0 30 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.889 112.8 48.2 -65.5 -41.2 40.6 43.8 7.4 86 86 A H H X S+ 0 0 102 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.907 110.1 52.4 -63.2 -42.4 37.9 41.5 8.9 87 87 A Y H X S+ 0 0 30 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.920 110.2 48.4 -60.1 -42.4 37.1 44.2 11.4 88 88 A Y H < S+ 0 0 53 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.921 108.6 53.2 -61.6 -44.3 36.7 46.8 8.6 89 89 A E H < S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.845 115.9 40.6 -59.0 -33.8 34.4 44.5 6.7 90 90 A Q H < S+ 0 0 119 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.732 128.5 29.4 -88.4 -24.5 32.2 44.1 9.8 91 91 A N S X S+ 0 0 54 -4,-1.9 4,-2.0 -5,-0.2 5,-0.2 -0.381 71.6 147.6-131.7 53.8 32.3 47.7 10.9 92 92 A P H > S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.899 71.5 49.5 -66.0 -41.1 32.8 49.7 7.7 93 93 A E H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.895 110.8 50.8 -63.8 -43.4 30.8 52.8 8.6 94 94 A Q H > S+ 0 0 55 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.928 113.7 43.3 -59.0 -52.5 32.6 53.2 12.0 95 95 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.2 0.903 110.0 56.0 -63.6 -43.6 36.1 53.0 10.4 96 96 A D H X S+ 0 0 67 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.873 106.1 51.6 -59.7 -38.5 35.2 55.3 7.5 97 97 A R H < S+ 0 0 172 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 108.3 51.9 -64.3 -36.6 34.2 58.0 9.9 98 98 A E H < S+ 0 0 41 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.870 111.6 46.6 -68.4 -37.2 37.5 57.6 11.7 99 99 A I H < S+ 0 0 49 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.864 98.6 87.5 -67.7 -42.1 39.4 58.0 8.4 100 100 A A < 0 0 63 -4,-2.3 -3,-0.0 -5,-0.2 0, 0.0 -0.211 360.0 360.0 -57.9 149.9 37.3 61.0 7.3 101 101 A Q 0 0 249 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.594 360.0 360.0 -71.0 360.0 38.4 64.5 8.3 102 !* 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 0.0 103 1 B X 0 0 157 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 160.7 33.6 19.3 23.4 104 2 B N > - 0 0 88 1,-0.1 4,-2.4 4,-0.0 5,-0.1 -0.534 360.0-135.2 -65.0 138.0 33.4 19.1 27.2 105 3 B K H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.896 100.8 50.9 -72.7 -45.5 33.4 22.7 28.6 106 4 B K H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 115.2 46.1 -54.3 -46.9 35.9 22.3 31.5 107 5 B T H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.914 108.6 54.4 -64.4 -47.3 38.3 20.7 29.0 108 6 B Q H X S+ 0 0 71 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.937 111.9 45.3 -52.8 -48.1 37.7 23.4 26.4 109 7 B L H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.862 110.7 51.8 -66.2 -39.9 38.7 26.1 28.9 110 8 B L H X S+ 0 0 89 -4,-2.0 4,-3.1 -5,-0.2 -1,-0.2 0.953 110.2 50.6 -59.6 -44.9 41.7 24.2 30.2 111 9 B E H X S+ 0 0 114 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.895 113.3 44.6 -64.6 -40.7 43.0 23.8 26.7 112 10 B V H >< S+ 0 0 43 -4,-2.1 3,-0.7 -5,-0.2 4,-0.4 0.941 115.1 47.3 -62.6 -48.3 42.5 27.6 26.0 113 11 B I H >< S+ 0 0 9 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.882 105.4 59.9 -67.1 -36.5 44.1 28.6 29.3 114 12 B A H 3< S+ 0 0 79 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.800 112.2 39.7 -60.3 -29.3 47.0 26.2 28.8 115 13 B A T << S+ 0 0 79 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.392 87.9 125.9 -97.9 1.3 47.9 28.1 25.5 116 14 B L S < S- 0 0 15 -3,-1.3 5,-0.1 -4,-0.4 -3,-0.0 -0.381 70.9-103.9 -69.7 133.4 47.2 31.7 26.9 117 15 B P > - 0 0 34 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.311 27.1-124.4 -52.8 135.2 50.0 34.2 26.5 118 16 B E G > S+ 0 0 78 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.820 108.5 65.2 -54.8 -32.9 51.7 34.8 29.9 119 17 B E G 3 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.599 101.9 49.8 -68.5 -7.2 51.0 38.5 29.6 120 18 B L G <> S+ 0 0 9 -3,-2.5 4,-2.4 2,-0.1 -1,-0.2 0.502 82.4 92.4-108.8 -3.6 47.3 37.8 29.9 121 19 B V H <> S+ 0 0 11 -3,-1.2 4,-2.9 -4,-0.5 5,-0.2 0.914 83.6 52.3 -57.2 -48.6 47.3 35.5 32.9 122 20 B D H > S+ 0 0 109 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.920 112.2 45.1 -57.4 -44.3 46.7 38.3 35.4 123 21 B Q H > S+ 0 0 96 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 113.7 50.2 -69.2 -36.9 43.6 39.7 33.6 124 22 B A H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.935 111.8 47.7 -66.8 -42.6 42.2 36.2 33.1 125 23 B L H X S+ 0 0 9 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.919 110.3 51.7 -63.8 -44.3 42.7 35.4 36.8 126 24 B N H X S+ 0 0 107 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.894 111.2 48.7 -58.9 -42.2 41.1 38.6 37.9 127 25 B Y H X S+ 0 0 40 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.943 113.4 44.2 -64.1 -51.2 38.1 38.0 35.6 128 26 B V H X S+ 0 0 4 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.886 110.3 55.7 -66.9 -33.9 37.5 34.4 36.8 129 27 B Q H < S+ 0 0 72 -4,-2.9 3,-0.4 1,-0.2 4,-0.3 0.889 107.8 50.6 -60.1 -40.1 38.0 35.4 40.4 130 28 B X H >< S+ 0 0 89 -4,-1.7 3,-1.5 -5,-0.2 -2,-0.2 0.899 105.7 54.9 -62.0 -42.5 35.2 37.9 39.9 131 29 B L H 3< S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.725 94.8 70.1 -64.1 -24.7 32.9 35.3 38.4 132 30 B Q T 3< S+ 0 0 91 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.638 77.2 92.0 -67.0 -20.2 33.4 33.2 41.6 133 31 B N < - 0 0 88 -3,-1.5 16,-0.1 -4,-0.3 -3,-0.0 -0.716 68.2-154.0 -79.2 118.3 31.3 35.7 43.6 134 32 B P S S+ 0 0 40 0, 0.0 15,-2.9 0, 0.0 2,-0.4 0.694 74.8 73.1 -67.2 -16.2 27.7 34.5 43.5 135 33 B I E -C 148 0B 11 13,-0.2 2,-0.4 50,-0.1 13,-0.2 -0.810 65.4-168.2-102.7 138.2 26.3 38.0 44.0 136 34 B Q E -C 147 0B 31 11,-3.6 11,-2.9 -2,-0.4 2,-0.4 -0.949 12.9-162.7-129.4 141.3 26.4 40.6 41.2 137 35 B I + 0 0 100 -2,-0.4 9,-0.2 9,-0.2 8,-0.1 -0.990 19.0 168.0-124.4 120.8 25.8 44.4 41.1 138 36 B T > - 0 0 37 7,-0.4 3,-2.1 -2,-0.4 6,-0.6 -0.953 34.5-124.3-140.1 110.3 25.2 45.9 37.7 139 37 B P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.271 99.6 19.9 -56.1 139.4 23.9 49.4 37.0 140 38 B G T 3 S+ 0 0 79 1,-0.2 2,-0.4 2,-0.0 0, 0.0 0.566 102.9 100.6 71.2 8.4 20.7 49.3 34.9 141 39 B V S X S- 0 0 44 -3,-2.1 3,-1.9 1,-0.1 -3,-0.4 -0.999 105.9 -14.7-119.0 127.1 20.0 45.7 35.8 142 40 B C G > S- 0 0 33 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.850 128.9 -58.2 47.4 41.4 17.3 45.1 38.5 143 41 B G G 3 S- 0 0 72 1,-0.3 -1,-0.3 -4,-0.0 3,-0.1 0.689 92.8 -66.9 66.3 20.4 17.8 48.9 39.2 144 42 B G G < S+ 0 0 23 -3,-1.9 -1,-0.3 -6,-0.6 -2,-0.2 0.454 97.8 146.5 77.2 3.1 21.5 48.3 40.0 145 43 B Q < - 0 0 49 -3,-1.4 -7,-0.4 -4,-0.2 -1,-0.3 -0.346 60.3 -90.9 -70.8 149.2 20.5 46.3 43.0 146 44 B A + 0 0 1 -9,-0.2 9,-2.6 -3,-0.1 10,-0.5 -0.360 58.0 170.8 -59.4 136.6 22.7 43.3 44.2 147 45 B R E -CD 136 154B 18 -11,-2.9 -11,-3.6 7,-0.3 2,-0.3 -0.886 43.2 -81.7-146.0 165.4 21.4 40.1 42.5 148 46 B I E > S-C 135 0B 3 5,-2.2 3,-1.8 -2,-0.3 5,-0.4 -0.627 71.5 -85.8 -73.6 134.0 22.3 36.5 42.1 149 47 B R T 3 S+ 0 0 29 -15,-2.9 -1,-0.1 -2,-0.3 3,-0.1 -0.121 106.8 0.4 -52.1 129.1 24.9 36.4 39.2 150 48 B N T 3 S+ 0 0 81 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.662 114.5 100.4 66.2 22.5 23.4 36.2 35.7 151 49 B T S < S- 0 0 35 -3,-1.8 -1,-0.3 2,-0.1 -15,-0.1 -0.789 76.8-130.2-125.8 169.6 19.9 36.3 37.0 152 50 B R S S+ 0 0 101 -2,-0.3 -3,-0.1 -3,-0.1 -2,-0.0 -0.060 73.7 116.0-106.9 32.7 17.1 38.8 37.5 153 51 B I - 0 0 22 -5,-0.4 -5,-2.2 4,-0.0 -2,-0.1 -0.844 56.8-149.9-104.7 98.0 16.7 37.7 41.1 154 52 B P B >> -D 147 0B 14 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.400 18.7-125.9 -66.7 144.3 17.6 40.6 43.5 155 53 B V H 3> S+ 0 0 0 -9,-2.6 4,-1.8 1,-0.3 3,-0.3 0.901 110.1 59.1 -54.0 -42.2 19.0 39.7 46.9 156 54 B W H 3> S+ 0 0 59 -10,-0.5 4,-2.6 1,-0.2 -1,-0.3 0.786 99.1 56.2 -64.1 -26.8 16.3 41.8 48.5 157 55 B T H <> S+ 0 0 22 -3,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.893 106.7 50.6 -72.6 -34.8 13.5 39.7 47.0 158 56 B L H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.3 -2,-0.2 0.901 112.4 45.8 -63.7 -42.5 14.9 36.6 48.5 159 57 B V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.939 112.9 51.3 -65.9 -45.0 15.1 38.2 51.9 160 58 B A H X S+ 0 0 7 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.928 109.7 48.9 -60.0 -48.6 11.5 39.6 51.4 161 59 B Y H <>S+ 0 0 105 -4,-2.9 5,-2.4 1,-0.2 -1,-0.2 0.917 112.2 49.4 -59.3 -42.5 10.2 36.1 50.5 162 60 B R H ><5S+ 0 0 91 -4,-2.1 3,-2.1 3,-0.2 -2,-0.2 0.946 109.6 51.3 -58.5 -47.7 11.9 34.7 53.6 163 61 B Q H 3<5S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.844 106.4 55.0 -61.0 -33.4 10.4 37.4 55.8 164 62 B Q T 3<5S- 0 0 145 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.374 132.3 -91.3 -82.1 3.3 7.0 36.6 54.4 165 63 B G T < 5S+ 0 0 58 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.2 0.515 73.9 146.1 107.0 8.2 7.4 33.0 55.4 166 64 B A < - 0 0 10 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.673 39.8-141.8 -75.8 120.9 9.0 31.1 52.5 167 65 B P > - 0 0 58 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.325 28.0-102.4 -73.0 165.4 11.3 28.4 53.7 168 66 B D H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.856 121.1 60.0 -57.5 -38.7 14.6 27.7 51.8 169 67 B K H > S+ 0 0 173 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.908 106.9 47.1 -55.2 -42.2 13.1 24.6 50.2 170 68 B E H > S+ 0 0 114 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.912 110.3 52.0 -66.5 -44.1 10.4 26.8 48.6 171 69 B L H X S+ 0 0 5 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.953 113.6 43.3 -58.5 -49.3 12.9 29.4 47.4 172 70 B L H < S+ 0 0 57 -4,-2.6 6,-0.2 1,-0.2 -1,-0.2 0.781 112.9 53.0 -64.5 -31.1 15.1 26.8 45.7 173 71 B A H < S+ 0 0 81 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.811 109.1 49.8 -76.1 -33.9 12.1 25.1 44.2 174 72 B N H < S+ 0 0 104 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.824 116.0 40.9 -68.7 -38.3 10.8 28.3 42.7 175 73 B Y S >< S- 0 0 51 -4,-1.5 3,-1.4 -5,-0.2 -1,-0.2 -0.913 73.5-167.1-120.6 99.4 14.0 29.3 41.1 176 74 B P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.730 81.8 51.5 -78.0 -20.2 15.6 26.2 39.6 177 75 B G T 3 S+ 0 0 73 2,-0.0 2,-0.3 0, 0.0 -5,-0.1 0.542 88.4 107.5 -83.9 -2.9 19.1 27.4 38.8 178 76 B L < - 0 0 14 -3,-1.4 2,-0.2 -6,-0.2 -3,-0.1 -0.529 53.6-161.6 -78.3 132.4 19.5 28.7 42.3 179 77 B T > - 0 0 69 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.645 34.0-108.0-105.6 170.5 21.8 26.8 44.7 180 78 B A H > S+ 0 0 67 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.876 121.7 55.8 -57.1 -40.7 22.2 26.6 48.5 181 79 B E H > S+ 0 0 155 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.867 103.6 54.0 -64.8 -33.9 25.4 28.6 48.1 182 80 B D H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 112.6 43.3 -63.8 -47.9 23.6 31.3 46.3 183 81 B L H X S+ 0 0 4 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.952 112.8 51.4 -63.2 -48.7 21.1 31.6 49.2 184 82 B S H X S+ 0 0 78 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.913 111.8 48.3 -55.8 -41.2 23.9 31.4 51.7 185 83 B A H X S+ 0 0 18 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.905 110.3 51.6 -65.2 -39.5 25.7 34.2 49.7 186 84 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.909 110.0 48.9 -58.0 -47.4 22.4 36.3 49.6 187 85 B W H X S+ 0 0 39 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.872 112.0 48.7 -62.1 -38.6 22.0 35.9 53.4 188 86 B H H X S+ 0 0 120 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.893 109.3 52.8 -66.8 -41.7 25.7 37.0 53.9 189 87 B Y H X S+ 0 0 33 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.914 109.6 49.6 -61.5 -43.3 25.2 40.0 51.6 190 88 B Y H < S+ 0 0 34 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.915 108.0 53.0 -58.6 -45.3 22.2 41.0 53.7 191 89 B E H < S+ 0 0 88 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.846 114.7 41.7 -58.7 -38.1 24.2 40.7 56.9 192 90 B Q H < S+ 0 0 126 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.668 128.1 31.0 -82.5 -19.1 26.8 43.0 55.5 193 91 B N X + 0 0 50 -4,-1.5 4,-2.0 -5,-0.2 5,-0.2 -0.310 69.5 145.4-134.4 53.1 24.3 45.4 53.9 194 92 B P H > S+ 0 0 58 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.849 72.2 51.2 -68.1 -38.3 21.2 45.4 56.1 195 93 B E H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.948 112.0 47.4 -60.5 -50.9 20.2 49.1 55.7 196 94 B Q H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 116.3 43.0 -56.7 -49.6 20.4 48.9 51.9 197 95 B I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.915 112.0 52.8 -68.2 -43.6 18.4 45.7 51.7 198 96 B D H X S+ 0 0 73 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.853 109.8 50.9 -60.7 -34.2 15.8 46.7 54.2 199 97 B R H X S+ 0 0 147 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.932 108.2 50.5 -64.0 -50.4 15.3 49.9 52.2 200 98 B E H < S+ 0 0 18 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.938 112.3 48.5 -54.4 -46.0 14.8 47.9 48.9 201 99 B I H < S+ 0 0 43 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.922 113.6 46.1 -61.9 -45.7 12.2 45.8 50.7 202 100 B A H < 0 0 90 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.877 360.0 360.0 -65.1 -38.0 10.4 48.9 52.2 203 101 B Q < 0 0 110 -4,-3.0 -3,-0.0 -5,-0.1 0, 0.0 -0.121 360.0 360.0 -81.4 360.0 10.4 50.7 48.8