==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 25-AUG-10 3OL4 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 191 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 51.8 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 0 1 1 0 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL 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 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 5 A T > 0 0 112 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -69.0 42.9 19.9 45.1 2 6 A T H > + 0 0 74 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.803 360.0 53.4 -71.7 -33.8 44.7 17.0 46.9 3 7 A T H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 107.2 51.1 -63.3 -41.2 42.1 14.8 45.1 4 8 A F H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.943 112.1 45.8 -62.5 -49.6 43.1 16.4 41.7 5 9 A M H X S+ 0 0 31 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.887 108.8 55.9 -61.6 -42.0 46.8 15.7 42.4 6 10 A D H X S+ 0 0 111 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.919 110.6 47.3 -52.8 -44.5 46.0 12.1 43.6 7 11 A N H X S+ 0 0 72 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.926 115.0 41.2 -66.1 -49.8 44.3 11.5 40.2 8 12 A V H X S+ 0 0 18 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.932 118.0 48.1 -66.4 -43.0 47.0 13.0 37.9 9 13 A L H X S+ 0 0 31 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.911 111.7 50.7 -62.2 -43.2 49.8 11.3 40.0 10 14 A G H X S+ 0 0 40 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.929 113.6 45.0 -58.4 -51.3 47.8 8.1 39.8 11 15 A W H X S+ 0 0 105 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.903 113.5 50.2 -56.8 -47.4 47.5 8.4 36.1 12 16 A L H X S+ 0 0 0 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.883 114.2 42.9 -63.8 -43.7 51.2 9.4 35.6 13 17 A H H < S+ 0 0 75 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.901 115.7 48.7 -68.4 -43.8 52.6 6.5 37.7 14 18 A K H < S+ 0 0 182 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.931 116.3 44.4 -60.8 -44.1 50.1 4.0 36.1 15 19 A G H < S+ 0 0 43 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.863 129.5 24.4 -66.2 -40.0 51.1 5.3 32.6 16 20 A Y >< + 0 0 43 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.3 -0.634 63.3 166.1-132.1 77.0 54.8 5.3 33.3 17 21 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.763 84.7 37.7 -62.6 -23.3 55.8 2.9 36.1 18 22 A E T 3 S- 0 0 187 1,-0.4 2,-0.1 -3,-0.1 -5,-0.1 0.208 126.1 -65.9-117.6 13.3 59.5 3.2 35.2 19 23 A G < - 0 0 16 -3,-1.2 -1,-0.4 -6,-0.1 96,-0.0 -0.355 51.2 -84.8 121.4 157.5 59.9 6.9 34.3 20 24 A V B -A 116 0A 1 96,-1.9 96,-2.4 -2,-0.1 -4,-0.1 -0.925 43.7-138.9-100.3 117.4 58.8 9.3 31.6 21 25 A P > - 0 0 34 0, 0.0 3,-2.5 0, 0.0 94,-0.2 -0.516 18.7-118.6 -72.9 143.7 61.1 9.0 28.5 22 26 A P G > S+ 0 0 40 0, 0.0 3,-2.5 0, 0.0 4,-0.4 0.812 111.4 70.7 -51.0 -35.3 62.0 12.3 26.8 23 27 A K G 3 S+ 0 0 168 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.765 100.5 48.4 -55.6 -24.5 60.3 11.1 23.6 24 28 A D G <> S+ 0 0 46 -3,-2.5 4,-2.2 1,-0.1 -1,-0.3 0.298 82.8 98.6 -98.4 12.3 57.0 11.6 25.5 25 29 A Y H <> S+ 0 0 0 -3,-2.5 4,-2.2 2,-0.2 5,-0.2 0.902 84.2 43.4 -73.4 -45.5 57.6 15.1 26.8 26 30 A F H > S+ 0 0 123 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.951 116.3 51.6 -58.3 -45.4 55.7 17.2 24.3 27 31 A A H > S+ 0 0 53 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.861 109.4 49.8 -57.9 -40.6 52.9 14.6 24.6 28 32 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.962 112.0 44.7 -68.8 -49.0 52.8 14.8 28.3 29 33 A L H X S+ 0 0 7 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.906 113.4 51.5 -63.2 -37.9 52.6 18.6 28.6 30 34 A A H < S+ 0 0 35 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.907 110.5 49.2 -63.2 -42.9 50.0 18.7 25.9 31 35 A L H >< S+ 0 0 47 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.925 110.1 50.8 -60.5 -44.8 48.0 16.1 27.8 32 36 A L H 3< S+ 0 0 51 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.772 115.1 42.4 -66.5 -26.0 48.2 18.0 31.0 33 37 A K T 3< S+ 0 0 115 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.395 85.5 123.9 -96.5 -4.3 47.1 21.2 29.4 34 38 A R < + 0 0 57 -3,-1.1 2,-0.3 -4,-0.5 45,-0.1 -0.350 37.3 171.7 -63.0 139.3 44.3 19.6 27.4 35 39 A S - 0 0 67 43,-0.1 2,-0.2 44,-0.1 44,-0.1 -0.981 35.0-101.3-145.0 158.3 40.9 21.1 28.1 36 40 A L - 0 0 6 -2,-0.3 2,-0.1 42,-0.1 31,-0.0 -0.548 38.8-119.3 -72.1 146.0 37.3 21.1 26.8 37 41 A T > - 0 0 75 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.385 31.7-104.0 -72.5 162.0 36.1 23.9 24.6 38 42 A E H > S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.921 124.5 54.3 -53.2 -45.4 33.2 26.0 26.0 39 43 A D H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 109.2 47.9 -60.0 -39.8 30.9 24.3 23.5 40 44 A E H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 110.7 50.7 -65.6 -43.5 32.0 20.9 24.9 41 45 A V H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.935 112.4 47.7 -57.8 -46.2 31.5 22.1 28.5 42 46 A V H X S+ 0 0 65 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.937 112.7 48.4 -58.6 -47.7 28.0 23.3 27.7 43 47 A R H X S+ 0 0 139 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.907 113.4 46.5 -65.8 -42.4 27.2 20.0 25.9 44 48 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.909 114.0 47.8 -63.9 -44.1 28.5 17.8 28.8 45 49 A A H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.927 113.1 48.3 -63.8 -47.1 26.7 19.9 31.5 46 50 A Q H X S+ 0 0 101 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.918 111.1 50.2 -57.1 -49.3 23.4 19.8 29.5 47 51 A A H X S+ 0 0 30 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.922 112.6 47.2 -57.6 -43.6 23.6 16.1 28.9 48 52 A I H >< S+ 0 0 6 -4,-2.3 3,-0.6 1,-0.2 4,-0.3 0.934 114.1 46.6 -65.3 -48.4 24.2 15.5 32.6 49 53 A L H >< S+ 0 0 59 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.877 107.6 56.5 -61.0 -42.7 21.3 17.8 33.7 50 54 A R H 3< S+ 0 0 178 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 115.6 39.5 -58.1 -25.3 18.9 16.2 31.2 51 55 A S T << S+ 0 0 94 -4,-1.0 2,-0.3 -3,-0.6 -1,-0.2 0.250 108.8 61.4-114.7 11.0 19.6 12.8 32.8 52 56 A T < - 0 0 40 -3,-1.0 6,-0.0 -4,-0.3 0, 0.0 -0.906 50.4-161.3-132.9 161.1 19.8 13.5 36.6 53 57 A D - 0 0 100 -2,-0.3 -1,-0.1 3,-0.1 -4,-0.1 0.458 48.0-106.5-122.4 -1.0 17.5 14.9 39.3 54 58 A G S S+ 0 0 22 2,-0.4 4,-0.0 39,-0.1 -5,-0.0 0.053 98.1 99.0 100.1 -25.8 19.7 16.0 42.2 55 59 A Q S S+ 0 0 168 1,-0.2 -3,-0.0 2,-0.1 -1,-0.0 0.751 85.5 51.9 -61.3 -25.5 18.9 13.1 44.5 56 60 A S S S- 0 0 81 37,-0.1 -2,-0.4 3,-0.0 -1,-0.2 -0.931 93.8-128.0-120.4 104.8 22.1 11.5 43.4 57 61 A P - 0 0 62 0, 0.0 37,-0.3 0, 0.0 2,-0.2 -0.288 34.3-108.8 -50.2 123.8 25.2 13.7 43.6 58 62 A V B -b 94 0B 1 35,-2.5 37,-2.7 1,-0.1 38,-0.6 -0.406 41.0-149.1 -60.6 124.5 26.9 13.7 40.2 59 63 A T > - 0 0 52 35,-0.2 4,-1.8 36,-0.2 5,-0.2 -0.538 26.0-107.0 -93.5 165.5 30.1 11.7 40.6 60 64 A D H > S+ 0 0 41 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.877 122.5 54.4 -53.5 -41.0 33.4 12.0 38.8 61 65 A D H > S+ 0 0 100 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.900 105.0 52.7 -60.5 -44.3 32.5 8.7 36.9 62 66 A D H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 113.4 43.8 -55.7 -43.9 29.2 10.3 35.7 63 67 A I H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.928 111.7 53.9 -69.2 -44.8 31.1 13.3 34.4 64 68 A R H X S+ 0 0 59 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.917 109.4 48.6 -50.6 -49.2 33.8 11.0 32.9 65 69 A N H X S+ 0 0 107 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.906 113.0 46.6 -61.0 -46.0 31.1 9.1 31.0 66 70 A A H X S+ 0 0 12 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.926 116.0 44.8 -64.0 -45.3 29.4 12.2 29.7 67 71 A V H >X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 3,-0.6 0.900 109.5 55.8 -65.4 -40.7 32.7 13.8 28.6 68 72 A H H 3X S+ 0 0 74 -4,-2.9 4,-2.0 -5,-0.3 5,-0.4 0.904 103.0 56.2 -58.3 -42.1 34.0 10.5 27.0 69 73 A Q H 3< S+ 0 0 152 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.837 114.0 41.0 -56.0 -35.6 30.8 10.4 24.9 70 74 A I H << S+ 0 0 21 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.936 123.9 31.5 -81.8 -51.8 31.8 13.9 23.5 71 75 A I H < S- 0 0 20 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.537 93.6-136.2 -91.2 -7.8 35.5 13.7 23.0 72 76 A E S < S+ 0 0 167 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.1 0.843 74.7 75.9 54.7 38.4 35.6 10.0 22.1 73 77 A K S S- 0 0 104 -5,-0.4 -2,-0.2 -6,-0.2 -1,-0.2 -0.957 98.8 -65.8-162.3 171.8 38.7 9.4 24.3 74 78 A E - 0 0 115 -2,-0.3 -9,-0.1 -3,-0.1 2,-0.1 -0.514 56.9-126.6 -70.5 125.1 39.6 9.1 28.0 75 79 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.365 17.4-129.5 -70.9 149.5 38.9 12.4 29.8 76 80 A T > - 0 0 23 1,-0.1 4,-2.0 -45,-0.1 5,-0.2 -0.443 27.1-104.6 -86.3 173.3 41.6 14.1 31.8 77 81 A A H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.862 121.5 54.5 -63.6 -37.0 41.2 15.4 35.4 78 82 A E H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.903 107.2 49.4 -62.1 -44.1 41.1 19.0 34.1 79 83 A E H > S+ 0 0 4 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.915 112.4 47.6 -63.5 -44.4 38.2 18.2 31.6 80 84 A I H X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.2 3,-0.3 0.939 112.2 50.8 -60.0 -48.1 36.2 16.5 34.4 81 85 A N H X S+ 0 0 81 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.851 103.4 58.2 -58.7 -41.3 36.9 19.5 36.7 82 86 A Q H X S+ 0 0 41 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.888 110.8 43.3 -55.0 -43.5 35.7 22.0 34.0 83 87 A V H X S+ 0 0 0 -4,-1.4 4,-2.8 -3,-0.3 -2,-0.2 0.878 110.5 54.4 -71.2 -41.0 32.3 20.2 33.9 84 88 A A H X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.910 109.7 48.8 -57.8 -42.2 32.1 19.9 37.7 85 89 A A H X S+ 0 0 57 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.885 110.2 51.2 -64.3 -39.3 32.6 23.7 38.0 86 90 A R H < S+ 0 0 78 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.930 111.7 46.8 -66.0 -43.7 29.9 24.3 35.3 87 91 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 3,-1.2 0.883 109.8 53.5 -62.0 -41.3 27.5 22.1 37.3 88 92 A A H ><5S+ 0 0 57 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.850 98.6 64.8 -61.2 -31.9 28.4 23.9 40.5 89 93 A S T 3<5S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.641 107.8 41.5 -69.8 -14.2 27.6 27.3 38.8 90 94 A V T < 5S- 0 0 88 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.132 120.8-109.5-115.6 17.8 24.0 26.1 38.5 91 95 A G T < 5 + 0 0 63 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.712 58.6 164.6 68.0 25.3 23.9 24.6 42.0 92 96 A W < - 0 0 74 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.581 44.1-104.1 -80.0 133.6 23.8 21.0 40.9 93 97 A P - 0 0 49 0, 0.0 -35,-2.5 0, 0.0 2,-0.4 -0.304 39.6-169.1 -60.2 134.0 24.6 18.4 43.5 94 98 A L B -b 58 0B 47 -37,-0.3 -35,-0.2 1,-0.1 -34,-0.0 -0.981 27.0-143.1-126.3 136.6 28.1 16.9 43.2 95 99 A A 0 0 58 -37,-2.7 -36,-0.2 -2,-0.4 -1,-0.1 0.923 360.0 360.0 -58.5 -47.7 29.5 13.9 45.0 96 100 A V 0 0 110 -38,-0.6 -1,-0.2 -3,-0.1 -38,-0.0 -0.847 360.0 360.0 -96.9 360.0 32.9 15.6 45.1 97 !* 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 98 6 B T > 0 0 111 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.0 53.3 27.7 21.0 99 7 B T H > + 0 0 93 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.953 360.0 50.1 -69.8 -50.9 56.0 29.9 22.7 100 8 B F H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.945 113.4 45.9 -49.3 -53.8 54.7 29.0 26.2 101 9 B M H > S+ 0 0 37 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.887 111.8 51.6 -59.3 -40.1 54.7 25.3 25.3 102 10 B D H X S+ 0 0 104 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.809 110.0 51.3 -65.9 -33.4 58.2 25.6 23.8 103 11 B N H X S+ 0 0 81 -4,-2.3 4,-2.3 -3,-0.3 -2,-0.2 0.963 114.8 39.4 -66.7 -51.4 59.4 27.3 27.0 104 12 B V H X S+ 0 0 18 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.884 116.0 52.2 -70.2 -38.1 58.0 24.6 29.3 105 13 B L H X S+ 0 0 30 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.915 109.7 49.4 -62.3 -42.6 59.1 21.8 26.9 106 14 B G H X S+ 0 0 41 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.957 111.3 50.4 -55.7 -51.6 62.6 23.3 26.8 107 15 B W H X S+ 0 0 117 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.867 111.0 47.7 -55.1 -45.0 62.6 23.4 30.7 108 16 B L H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.964 112.6 47.5 -67.5 -48.8 61.5 19.8 31.0 109 17 B H H < S+ 0 0 76 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.885 116.6 45.5 -55.1 -40.9 64.1 18.5 28.5 110 18 B K H < S+ 0 0 185 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.962 114.5 47.4 -69.1 -50.8 66.8 20.5 30.2 111 19 B G H < S+ 0 0 43 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.882 127.2 25.7 -53.6 -44.5 65.7 19.5 33.8 112 20 B Y >< + 0 0 43 -4,-3.1 3,-1.1 -5,-0.2 -1,-0.2 -0.541 64.0 165.0-130.7 70.1 65.4 15.8 32.8 113 21 B P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.683 84.1 36.7 -58.9 -20.0 67.8 14.9 29.9 114 22 B E T 3 S- 0 0 186 1,-0.4 2,-0.2 -93,-0.1 -5,-0.1 0.514 127.6 -64.1-114.0 -5.0 67.4 11.2 30.6 115 23 B G < - 0 0 19 -3,-1.1 -1,-0.4 -94,-0.2 -96,-0.0 -0.497 52.3 -86.9 129.4 150.5 63.8 10.7 31.7 116 24 B V B -A 20 0A 0 -96,-2.4 -96,-1.9 -2,-0.2 5,-0.1 -0.845 45.3-136.8 -90.7 117.1 61.7 11.9 34.6 117 25 B P > - 0 0 44 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.529 17.8-119.0 -76.1 143.8 62.1 9.4 37.4 118 26 B P G > S+ 0 0 37 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.778 112.2 70.8 -48.1 -26.8 58.9 8.4 39.2 119 27 B K G 3 S+ 0 0 167 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.816 100.5 45.0 -62.2 -30.1 60.6 9.9 42.3 120 28 B D G <> S+ 0 0 31 -3,-2.3 4,-3.1 1,-0.2 -1,-0.3 0.433 83.6 99.6 -94.5 2.1 60.2 13.4 40.9 121 29 B Y H <> S+ 0 0 0 -3,-1.2 4,-2.8 -4,-0.4 5,-0.3 0.905 85.3 44.0 -55.0 -51.3 56.5 13.0 39.6 122 30 B F H > S+ 0 0 124 -4,-0.4 4,-2.8 -3,-0.2 5,-0.3 0.955 114.9 49.4 -61.7 -49.8 54.9 14.8 42.6 123 31 B A H > S+ 0 0 58 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.928 114.3 46.3 -53.9 -49.9 57.5 17.6 42.5 124 32 B L H X S+ 0 0 3 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.915 115.1 44.4 -58.2 -51.2 57.1 18.1 38.8 125 33 B L H X S+ 0 0 10 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.886 113.3 50.7 -64.1 -40.8 53.2 18.1 38.8 126 34 B A H X S+ 0 0 38 -4,-2.8 4,-0.9 -5,-0.3 -1,-0.2 0.901 113.3 46.0 -65.3 -39.4 53.1 20.4 41.8 127 35 B L H < S+ 0 0 63 -4,-2.1 3,-0.5 -5,-0.3 -2,-0.2 0.905 112.5 50.4 -68.4 -41.6 55.5 22.8 40.1 128 36 B L H < S+ 0 0 54 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.821 114.0 45.4 -64.8 -33.3 53.5 22.6 36.8 129 37 B K H < S+ 0 0 112 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.616 87.9 113.7 -83.1 -17.0 50.2 23.3 38.7 130 38 B R < + 0 0 61 -4,-0.9 2,-0.3 -3,-0.5 45,-0.1 -0.255 40.3 170.8 -66.3 142.3 51.6 26.2 40.8 131 39 B S - 0 0 68 43,-0.1 2,-0.2 44,-0.1 44,-0.1 -0.984 34.6-101.8-146.8 157.9 50.2 29.7 40.2 132 40 B L - 0 0 7 -2,-0.3 2,-0.1 1,-0.1 31,-0.0 -0.521 39.0-117.3 -74.3 146.8 50.2 33.2 41.7 133 41 B T > - 0 0 75 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.335 32.6-102.1 -69.7 163.8 47.2 34.3 43.7 134 42 B E H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.945 125.0 52.1 -54.2 -46.7 45.2 37.3 42.5 135 43 B D H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.840 108.8 50.4 -61.4 -36.5 46.9 39.5 45.1 136 44 B E H > S+ 0 0 58 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 109.1 51.0 -66.1 -39.8 50.4 38.3 43.9 137 45 B V H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.937 110.8 48.8 -64.0 -47.2 49.5 39.1 40.3 138 46 B V H X S+ 0 0 64 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.938 112.7 48.8 -54.2 -47.1 48.4 42.6 41.2 139 47 B R H X S+ 0 0 133 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.907 112.0 46.9 -66.4 -40.6 51.6 43.2 43.2 140 48 B A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.915 113.2 48.4 -67.3 -43.8 53.9 41.9 40.5 141 49 B A H X S+ 0 0 7 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.956 111.7 51.5 -60.2 -49.3 52.2 44.0 37.7 142 50 B Q H X S+ 0 0 106 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.893 107.6 52.3 -50.0 -47.4 52.4 47.1 40.1 143 51 B A H X S+ 0 0 17 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.914 111.9 45.2 -61.4 -44.5 56.1 46.5 40.6 144 52 B I H >X S+ 0 0 5 -4,-2.1 3,-1.1 1,-0.2 4,-0.8 0.923 112.0 52.0 -61.4 -46.1 56.8 46.4 36.8 145 53 B L H 3< S+ 0 0 65 -4,-3.0 3,-0.4 1,-0.3 -2,-0.2 0.836 107.9 53.1 -64.3 -31.1 54.6 49.4 36.3 146 54 B R H 3< S+ 0 0 183 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.708 115.9 38.4 -72.3 -19.0 56.6 51.3 39.0 147 55 B S H << S+ 0 0 90 -3,-1.1 2,-0.3 -4,-0.7 -2,-0.2 0.330 108.3 61.9-118.4 7.7 59.9 50.6 37.3 148 56 B T < - 0 0 37 -4,-0.8 6,-0.0 -3,-0.4 0, 0.0 -0.944 66.1-138.3-136.3 154.9 59.2 50.9 33.6 149 57 B D - 0 0 103 -2,-0.3 -4,-0.1 3,-0.1 -1,-0.1 0.598 46.4-107.1 -94.7 -12.0 58.1 53.8 31.3 150 58 B G S S+ 0 0 25 2,-0.3 4,-0.0 39,-0.1 -5,-0.0 0.466 106.0 69.5 99.3 4.0 55.6 52.0 29.0 151 59 B Q S S+ 0 0 159 1,-0.1 3,-0.0 37,-0.1 -3,-0.0 0.716 76.8 74.6-116.6 -50.6 57.8 52.0 25.9 152 60 B S S S- 0 0 75 1,-0.1 -2,-0.3 37,-0.0 -1,-0.1 -0.564 93.5-110.0 -65.4 125.2 60.7 49.6 26.5 153 61 B P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 37,-0.3 -0.315 26.8-121.9 -58.8 131.8 59.3 46.1 26.2 154 62 B V B -c 190 0C 2 35,-2.7 37,-2.8 -2,-0.1 38,-0.5 -0.629 32.3-145.9 -72.9 127.9 59.1 44.2 29.5 155 63 B T > - 0 0 50 -2,-0.4 4,-2.0 35,-0.2 5,-0.2 -0.490 25.0-109.0 -92.2 165.8 61.1 41.0 29.3 156 64 B D H > S+ 0 0 65 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.898 122.4 54.2 -53.8 -41.4 60.6 37.5 30.8 157 65 B D H > S+ 0 0 107 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.898 103.7 52.3 -61.9 -45.6 63.5 38.4 33.0 158 66 B D H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 115.5 42.8 -54.3 -44.9 62.0 41.6 34.3 159 67 B I H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.911 111.5 53.6 -71.7 -42.4 58.9 39.7 35.2 160 68 B R H X S+ 0 0 69 -4,-3.0 4,-3.2 2,-0.2 -2,-0.2 0.940 110.8 47.5 -54.9 -47.5 60.8 36.8 36.7 161 69 B N H X S+ 0 0 101 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.910 112.4 48.8 -61.1 -44.3 62.8 39.2 38.9 162 70 B A H X S+ 0 0 7 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.912 115.0 44.6 -62.9 -44.9 59.6 41.0 40.0 163 71 B V H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 3,-0.5 0.910 109.4 55.6 -67.0 -41.5 57.9 37.7 40.8 164 72 B H H X S+ 0 0 68 -4,-3.2 4,-2.8 1,-0.3 5,-0.2 0.932 103.9 54.9 -57.2 -46.5 60.9 36.2 42.6 165 73 B Q H < S+ 0 0 151 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.838 114.7 41.7 -52.8 -36.0 61.0 39.3 44.9 166 74 B I H < S+ 0 0 21 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.905 125.2 28.8 -81.1 -46.2 57.4 38.5 45.8 167 75 B I H < S- 0 0 15 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.680 92.7-136.7 -94.0 -20.9 57.2 34.7 46.2 168 76 B E S < S+ 0 0 165 -4,-2.8 2,-0.3 -5,-0.4 -3,-0.1 0.837 73.1 72.8 70.0 41.1 60.9 34.2 47.3 169 77 B K S S- 0 0 108 -5,-0.2 -1,-0.2 -6,-0.1 -2,-0.2 -0.918 100.6 -61.4-167.1 166.3 61.6 31.2 45.1 170 78 B E - 0 0 113 -2,-0.3 -9,-0.1 -3,-0.1 -10,-0.0 -0.445 58.2-127.6 -62.4 121.8 62.2 30.6 41.4 171 79 B P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.328 17.8-130.4 -68.1 155.9 59.1 31.6 39.4 172 80 B T > - 0 0 21 1,-0.1 4,-2.3 -45,-0.1 5,-0.2 -0.615 24.9-106.3 -98.5 166.1 57.5 29.2 36.9 173 81 B A H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.829 121.3 53.0 -55.1 -41.2 56.5 29.9 33.3 174 82 B E H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 108.0 49.7 -62.2 -43.5 52.8 30.0 34.3 175 83 B E H > S+ 0 0 4 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.918 112.5 48.1 -64.8 -41.6 53.5 32.5 37.1 176 84 B I H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.897 110.3 51.7 -62.2 -44.2 55.4 34.7 34.7 177 85 B N H X S+ 0 0 76 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.840 102.8 59.3 -63.5 -37.8 52.6 34.4 32.1 178 86 B Q H X S+ 0 0 42 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.924 110.3 42.8 -56.8 -46.5 49.9 35.5 34.7 179 87 B V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.878 111.6 53.8 -65.3 -41.5 51.8 38.8 35.2 180 88 B A H X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.919 109.6 48.8 -59.9 -42.2 52.4 39.3 31.4 181 89 B A H X S+ 0 0 57 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.874 110.3 50.4 -63.9 -41.5 48.7 38.9 30.8 182 90 B R H < S+ 0 0 79 -4,-1.6 4,-0.4 2,-0.2 3,-0.2 0.910 111.7 48.3 -66.0 -38.8 47.8 41.4 33.5 183 91 B L H ><>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-1.6 0.912 107.4 55.3 -65.6 -40.6 50.3 43.9 32.0 184 92 B A H ><5S+ 0 0 56 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.805 97.1 65.7 -59.9 -29.7 48.8 43.3 28.6 185 93 B S T 3<5S+ 0 0 85 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.654 106.4 41.7 -71.6 -15.0 45.4 44.3 30.0 186 94 B V T < 5S- 0 0 85 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.141 122.1-107.0-112.8 18.9 46.8 47.8 30.6 187 95 B G T < 5 + 0 0 63 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.767 61.8 161.4 70.1 26.3 48.6 47.9 27.2 188 96 B W < - 0 0 65 -5,-2.3 -1,-0.2 -8,-0.1 2,-0.1 -0.660 44.0-109.8 -81.5 135.5 52.1 47.6 28.7 189 97 B P - 0 0 35 0, 0.0 -35,-2.7 0, 0.0 2,-0.4 -0.420 31.7-158.9 -73.3 141.9 54.6 46.4 26.0 190 98 B L B -c 154 0C 51 -37,-0.3 -35,-0.2 2,-0.2 -34,-0.0 -0.966 22.7-145.4-121.5 132.6 56.0 42.9 26.2 191 99 B A 0 0 67 -37,-2.8 -36,-0.2 -2,-0.4 -1,-0.1 0.912 360.0 360.0 -54.5 -46.9 59.2 41.5 24.7 192 100 B V 0 0 94 -38,-0.5 -2,-0.2 -3,-0.1 -37,-0.1 0.604 360.0 360.0-111.7 360.0 57.2 38.2 24.2