==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 25-NOV-11 3UT4 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR C.CHENG,N.SHAW,X.ZHANG,M.ZHANG,W.DING,B.C.WANG,Z.J.LIU . 256 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 73.0 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 . 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 . 7 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 46.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 3 1 0 0 0 1 2 2 1 1 1 2 0 1 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 . 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 . 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 2 A T > 0 0 137 0, 0.0 4,-1.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -19.1 3.0 -37.2 42.8 2 3 A S T 4 + 0 0 107 2,-0.2 3,-0.2 1,-0.1 4,-0.2 0.922 360.0 43.5 -60.4 -45.8 3.5 -39.4 39.8 3 4 A L T >4 S+ 0 0 46 1,-0.2 3,-2.1 2,-0.2 4,-0.2 0.909 109.0 54.7 -64.9 -45.5 2.8 -36.1 38.0 4 5 A R G >4 S+ 0 0 121 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.757 92.8 72.3 -63.0 -25.9 5.0 -34.0 40.3 5 6 A D G 3< S+ 0 0 102 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.617 87.9 65.8 -61.3 -12.9 7.9 -36.4 39.6 6 7 A L G < S+ 0 0 17 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.565 76.3 100.8 -87.8 -9.7 7.9 -34.7 36.2 7 8 A I S < S- 0 0 22 -3,-2.0 28,-0.1 -4,-0.2 10,-0.0 -0.635 88.5-108.7 -72.2 126.2 8.9 -31.3 37.7 8 9 A P - 0 0 4 0, 0.0 6,-0.1 0, 0.0 -2,-0.1 -0.284 22.8-149.9 -57.5 144.7 12.7 -30.9 37.1 9 10 A K S S+ 0 0 120 1,-0.1 2,-0.3 -4,-0.1 5,-0.1 0.652 72.1 8.7 -92.4 -19.3 14.6 -31.4 40.4 10 11 A H S > S- 0 0 93 3,-0.1 3,-1.8 36,-0.0 -1,-0.1 -0.930 88.8 -85.6-156.8 174.1 17.5 -29.1 39.5 11 12 A K T 3 S+ 0 0 94 1,-0.3 35,-2.4 -2,-0.3 36,-0.3 0.530 125.2 38.6 -75.1 -5.2 18.7 -26.5 37.0 12 13 A F T 3 S+ 0 0 130 33,-0.2 2,-1.3 34,-0.1 -1,-0.3 0.302 84.8 123.6-114.5 5.6 20.2 -29.1 34.6 13 14 A D < + 0 0 14 -3,-1.8 3,-0.3 1,-0.2 -3,-0.1 -0.552 14.1 148.9 -84.4 92.9 17.5 -31.7 35.0 14 15 A N > + 0 0 87 -2,-1.3 3,-1.3 1,-0.2 4,-0.4 0.173 37.8 112.3-100.8 14.9 15.9 -32.6 31.6 15 16 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.629 81.3 42.4 -62.7 -16.4 15.1 -36.2 32.6 16 17 A T T 3> S+ 0 0 6 -3,-0.3 4,-2.5 -10,-0.1 3,-0.3 0.426 84.2 99.7-111.7 -1.5 11.4 -35.6 32.5 17 18 A I H <> S+ 0 0 1 -3,-1.3 4,-2.1 1,-0.2 -2,-0.1 0.881 77.8 54.9 -57.9 -46.5 11.2 -33.5 29.4 18 19 A D H 4 S+ 0 0 96 -4,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.897 112.5 44.2 -53.1 -45.2 10.1 -36.3 27.0 19 20 A Q H >4 S+ 0 0 109 -3,-0.3 3,-2.3 1,-0.2 4,-0.4 0.935 108.9 55.3 -68.5 -47.9 7.1 -37.1 29.3 20 21 A L H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.887 101.7 60.0 -49.0 -42.8 6.1 -33.4 29.8 21 22 A C T 3< S+ 0 0 22 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.526 100.7 56.5 -68.0 -6.1 5.9 -33.0 26.0 22 23 A K T < S+ 0 0 166 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.481 86.8 98.0-102.9 -5.2 3.2 -35.8 25.8 23 24 A L < - 0 0 34 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.0 -0.488 61.5-141.3 -84.8 152.8 0.7 -34.2 28.2 24 25 A I > - 0 0 98 -2,-0.1 4,-2.0 33,-0.0 3,-0.5 -0.527 39.6 -83.3-100.9 179.1 -2.4 -32.1 27.3 25 26 A D H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 -2,-0.0 0.872 123.9 43.9 -52.3 -49.4 -3.7 -29.0 29.1 26 27 A N H 4 S+ 0 0 131 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.787 111.9 52.2 -77.8 -24.2 -5.7 -30.7 31.8 27 28 A E H 4 S+ 0 0 97 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.904 116.1 40.1 -67.9 -41.4 -3.1 -33.3 32.8 28 29 A I H >X S+ 0 0 0 -4,-2.0 3,-2.6 1,-0.2 4,-0.8 0.745 89.1 92.3 -86.9 -23.3 -0.3 -30.7 33.2 29 30 A E H >X S+ 0 0 78 -4,-1.9 3,-1.5 1,-0.3 4,-0.5 0.805 78.1 60.8 -34.7 -55.5 -2.3 -28.0 34.9 30 31 A P H 34 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.660 117.5 30.9 -56.5 -20.1 -1.5 -29.1 38.5 31 32 A I H <> S+ 0 0 1 -3,-2.6 4,-2.6 -4,-0.1 5,-0.2 0.336 87.1 103.2-117.6 5.3 2.2 -28.6 37.8 32 33 A I H < S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.906 104.9 59.0 -69.2 -36.4 7.1 -25.6 35.6 36 37 A L H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.817 92.4 68.5 -61.2 -31.1 6.9 -21.8 35.3 37 38 A K G >< S+ 0 0 90 -4,-1.3 3,-1.6 1,-0.3 -1,-0.3 0.711 84.6 70.5 -60.7 -22.4 9.4 -21.4 38.2 38 39 A W G < S+ 0 0 39 -3,-1.6 3,-0.3 -4,-0.3 -1,-0.3 0.484 88.4 64.3 -78.8 0.1 12.1 -22.7 36.0 39 40 A L G < + 0 0 0 -3,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.269 67.2 102.9 -98.3 7.2 11.9 -19.5 34.0 40 41 A Q S < S+ 0 0 53 -3,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.790 101.2 15.7 -58.3 -22.4 13.1 -17.5 37.0 41 42 A D > - 0 0 35 -3,-0.3 3,-1.4 -4,-0.1 -1,-0.3 -0.808 67.6-162.2-154.2 106.9 16.4 -17.5 35.2 42 43 A Y T 3 S+ 0 0 13 -3,-0.4 6,-0.2 -2,-0.3 -2,-0.1 0.599 88.6 69.3 -71.0 -9.8 16.5 -18.4 31.5 43 44 A N T 3 S+ 0 0 106 4,-0.1 -1,-0.3 -4,-0.1 5,-0.1 0.764 72.9 101.7 -78.2 -25.1 20.3 -19.0 31.6 44 45 A W S X> S- 0 0 54 -3,-1.4 3,-1.2 1,-0.1 4,-0.6 -0.436 83.0-129.1 -49.7 126.4 19.6 -22.1 33.7 45 46 A P T >4 S+ 0 0 56 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.812 104.0 56.2 -55.4 -35.7 20.0 -24.9 31.1 46 47 A I T >> S+ 0 0 2 -35,-2.4 3,-1.1 1,-0.2 4,-1.1 0.777 92.3 73.0 -69.1 -24.5 16.6 -26.6 31.9 47 48 A A H X> S+ 0 0 0 -3,-1.2 4,-2.1 -36,-0.3 3,-0.5 0.862 87.6 60.6 -56.9 -38.9 14.8 -23.4 31.3 48 49 A K H << S+ 0 0 24 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.746 109.4 42.4 -67.0 -23.6 15.3 -23.6 27.5 49 50 A D H <> S+ 0 0 19 -3,-1.1 4,-0.5 -4,-0.4 170,-0.3 0.612 112.8 52.6 -94.6 -15.1 13.4 -26.9 27.4 50 51 A I H S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.877 112.1 48.8 -57.2 -40.6 8.3 -24.7 24.8 53 54 A V H X S+ 0 0 0 -4,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.952 111.6 46.2 -67.2 -49.8 6.1 -26.6 27.2 54 55 A V H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 7,-0.2 0.842 114.9 47.8 -63.9 -32.9 4.7 -23.7 29.1 55 56 A V H >< S+ 0 0 2 -4,-2.0 3,-1.7 -5,-0.3 -1,-0.2 0.911 109.3 53.5 -72.5 -41.7 4.0 -21.7 25.9 56 57 A L H 3< S+ 0 0 32 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.846 116.4 38.8 -62.4 -32.4 2.3 -24.8 24.4 57 58 A H T >X S+ 0 0 8 -4,-1.9 3,-0.8 1,-0.2 4,-0.6 -0.048 78.0 131.2-106.5 34.0 0.1 -25.0 27.5 58 59 A Q H <> + 0 0 1 -3,-1.7 4,-0.9 1,-0.2 3,-0.4 0.753 60.8 66.6 -56.2 -28.6 -0.3 -21.2 27.7 59 60 A S H 34 S+ 0 0 60 -3,-0.3 3,-0.3 1,-0.3 -1,-0.2 0.894 108.7 35.5 -70.6 -36.6 -4.1 -21.5 28.0 60 61 A I H <4 S+ 0 0 23 -3,-0.8 -1,-0.3 1,-0.2 4,-0.3 0.492 114.1 63.8 -85.9 -1.0 -4.0 -23.2 31.4 61 62 A A H X S+ 0 0 0 -4,-0.6 4,-2.2 -3,-0.4 3,-0.4 0.635 76.5 89.2 -92.7 -15.2 -1.0 -21.1 32.3 62 63 A M H X S+ 0 0 4 -4,-0.9 4,-2.9 -3,-0.3 5,-0.2 0.888 82.9 49.4 -62.4 -48.2 -2.6 -17.7 32.3 63 64 A P H > S+ 0 0 80 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.906 116.2 47.5 -56.3 -35.2 -3.8 -17.2 35.9 64 65 A H H > S+ 0 0 45 -3,-0.4 4,-2.0 -4,-0.3 -2,-0.2 0.799 108.7 52.6 -75.7 -32.6 -0.3 -18.3 37.0 65 66 A I H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.917 109.0 51.3 -64.6 -40.1 1.4 -16.0 34.6 66 67 A L H X S+ 0 0 41 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.925 107.6 52.6 -62.2 -42.4 -0.8 -13.2 36.0 67 68 A T H X S+ 0 0 75 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.917 109.8 48.5 -58.9 -44.3 0.3 -14.2 39.5 68 69 A I H >< S+ 0 0 6 -4,-2.0 3,-0.8 1,-0.2 5,-0.3 0.909 111.0 49.3 -62.4 -41.1 4.0 -14.0 38.5 69 70 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.745 112.1 50.4 -71.1 -20.2 3.4 -10.5 36.9 70 71 A Q H 3< S+ 0 0 103 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.517 100.3 83.1 -92.9 -9.2 1.7 -9.5 40.1 71 72 A G S << S- 0 0 24 -3,-0.8 -3,-0.1 -4,-0.7 -4,-0.0 -0.015 84.9-116.5 -80.6-170.3 4.6 -10.8 42.3 72 73 A N S S+ 0 0 156 5,-0.0 2,-1.1 4,-0.0 -3,-0.1 0.151 70.9 118.4-121.5 20.2 7.9 -9.0 43.2 73 74 A D > - 0 0 64 -5,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.765 45.0-167.6 -89.9 98.7 10.5 -11.3 41.6 74 75 A I H > S+ 0 0 44 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.922 80.5 42.3 -54.3 -56.9 12.1 -9.0 39.1 75 76 A M H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.876 112.6 54.2 -63.8 -39.3 14.1 -11.5 37.0 76 77 A W H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.942 112.0 43.2 -59.6 -48.2 11.3 -14.0 36.9 77 78 A K H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.826 109.1 59.2 -74.5 -24.7 8.8 -11.5 35.5 78 79 A Y H X S+ 0 0 36 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.956 111.7 40.1 -60.4 -51.4 11.4 -10.1 33.1 79 80 A W H X S+ 0 0 35 -4,-2.4 4,-3.2 2,-0.2 5,-0.5 0.890 113.8 52.8 -65.5 -41.6 11.8 -13.6 31.5 80 81 A V H X>S+ 0 0 2 -4,-2.3 4,-1.9 -5,-0.2 5,-0.6 0.918 116.7 39.3 -64.3 -43.2 8.1 -14.4 31.5 81 82 A I H X5S+ 0 0 0 -4,-2.1 4,-1.5 3,-0.2 -2,-0.2 0.968 119.7 45.1 -66.4 -55.0 7.2 -11.2 29.8 82 83 A K H <5S+ 0 0 72 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.891 124.8 31.7 -57.8 -43.2 10.2 -11.2 27.4 83 84 A L H <5S+ 0 0 13 -4,-3.2 -1,-0.2 -5,-0.2 -3,-0.2 0.803 126.3 33.4 -90.2 -34.5 9.8 -14.8 26.4 84 85 A M H ><5S+ 0 0 1 -4,-1.9 3,-1.5 -5,-0.5 4,-0.3 0.819 99.9 70.7 -97.2 -32.2 6.1 -15.6 26.6 85 86 A I G ><> - 0 0 7 -2,-0.4 4,-2.5 92,-0.2 3,-1.7 -0.380 42.2 -84.3 -70.0 159.8 -2.4 -16.2 21.0 90 91 A Y H 3> S+ 0 0 74 1,-0.3 4,-2.0 88,-0.2 5,-0.1 0.751 125.7 44.2 -37.5 -54.6 -4.8 -13.3 20.7 91 92 A P H 3> S+ 0 0 51 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.786 116.5 46.4 -70.2 -26.9 -7.1 -14.0 23.7 92 93 A N H <> S+ 0 0 13 -3,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.849 109.0 55.7 -80.2 -36.1 -4.2 -14.8 26.1 93 94 A K H X S+ 0 0 10 -4,-2.5 4,-0.8 1,-0.2 3,-0.4 0.912 106.9 52.0 -54.6 -44.5 -2.4 -11.7 24.9 94 95 A Q H >X S+ 0 0 66 -4,-2.0 3,-0.8 -5,-0.3 4,-0.5 0.893 102.8 57.8 -62.1 -41.5 -5.5 -9.8 25.8 95 96 A L H 3< S+ 0 0 90 -4,-1.2 3,-0.3 1,-0.2 4,-0.3 0.829 110.3 43.1 -59.9 -33.5 -5.6 -11.2 29.4 96 97 A V H >X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.4 3,-0.6 0.573 85.8 91.8 -93.2 -8.9 -2.1 -10.0 30.2 97 98 A K H S+ 0 0 23 -3,-0.6 4,-2.7 -4,-0.3 -1,-0.2 0.881 110.6 51.7 -68.5 -38.7 -0.4 -6.2 33.9 100 101 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.939 109.8 49.5 -59.7 -48.3 1.8 -4.8 31.1 101 102 A E H X S+ 0 0 82 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.954 112.6 47.8 -55.6 -49.9 0.1 -1.4 31.4 102 103 A R H >< S+ 0 0 98 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.932 112.6 48.3 -58.3 -45.5 0.5 -1.5 35.1 103 104 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.875 106.6 55.4 -68.0 -33.9 4.2 -2.4 34.9 104 105 A S H 3< S+ 0 0 18 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.664 107.1 53.7 -71.5 -11.1 5.0 0.3 32.3 105 106 A S T << S+ 0 0 94 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.429 79.7 122.3-101.3 -1.6 3.6 2.8 34.7 106 107 A L < - 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0 0 24 -3,-1.5 2,-0.1 -4,-0.3 -3,-0.0 -0.421 62.8-129.1 -82.8 148.8 -8.9 -24.5 16.0 153 25 B I >> - 0 0 103 -2,-0.1 4,-1.5 1,-0.1 3,-1.4 -0.438 39.6 -92.5 -83.5 167.8 -7.4 -27.9 16.9 154 26 B D H 3> S+ 0 0 64 1,-0.3 4,-1.5 2,-0.2 3,-0.2 0.851 126.4 43.8 -50.8 -44.7 -4.3 -29.2 15.1 155 27 B N H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.602 110.5 57.1 -81.1 -10.4 -6.3 -31.3 12.6 156 28 B E H <4 S+ 0 0 101 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.750 117.2 32.2 -85.6 -27.8 -8.7 -28.4 12.0 157 29 B I H >< S+ 0 0 0 -4,-1.5 3,-2.0 -3,-0.2 4,-0.3 0.613 92.8 93.9-104.0 -17.1 -6.0 -26.0 11.0 158 30 B E G >< S+ 0 0 77 -4,-1.5 3,-2.3 -5,-0.3 4,-0.5 0.859 76.6 62.1 -45.1 -50.2 -3.6 -28.4 9.3 159 31 B P G 3 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.734 115.7 32.2 -52.9 -27.0 -4.9 -27.9 5.8 160 32 B I G <> S+ 0 0 1 -3,-2.0 4,-1.8 1,-0.1 -2,-0.2 0.169 85.5 107.2-117.0 15.5 -3.9 -24.2 5.9 161 33 B I H <> S+ 0 0 0 -3,-2.3 4,-2.1 -4,-0.3 5,-0.1 0.905 82.3 48.3 -63.4 -39.9 -0.8 -24.3 8.1 162 34 B F H > S+ 0 0 55 -4,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.933 108.6 54.9 -66.3 -43.0 1.6 -23.7 5.2 163 35 B D H 4 S+ 0 0 25 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.874 109.5 47.8 -54.6 -39.3 -0.6 -20.8 4.1 164 36 B L H >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.908 105.4 58.1 -70.3 -39.2 -0.3 -19.3 7.6 165 37 B L H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.791 92.5 69.6 -62.7 -29.5 3.5 -19.8 7.7 166 38 B K G >< S+ 0 0 76 -4,-1.5 3,-1.5 1,-0.3 -1,-0.3 0.748 86.4 67.4 -58.9 -25.7 3.9 -17.6 4.6 167 39 B W G < S+ 0 0 42 -3,-1.6 3,-0.3 -4,-0.4 -1,-0.3 0.491 91.0 64.0 -76.6 1.4 2.9 -14.6 6.7 168 40 B L G < + 0 0 0 -3,-2.0 3,-0.3 1,-0.2 -1,-0.3 0.284 66.4 102.3-102.4 11.2 6.2 -15.1 8.5 169 41 B Q S < S+ 0 0 66 -3,-1.5 2,-0.3 1,-0.3 39,-0.2 0.798 101.5 17.2 -60.4 -27.2 8.3 -14.3 5.3 170 42 B D > - 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0 0 68 -5,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.737 44.6-175.3 -88.7 94.5 14.1 -17.8 0.6 203 75 B I H > S+ 0 0 50 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.895 79.5 49.6 -58.4 -48.5 16.8 -16.5 3.1 204 76 B M H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 111.6 50.5 -58.6 -42.3 14.6 -13.9 4.9 205 77 B W H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.932 113.4 42.6 -65.1 -49.1 11.8 -16.5 5.4 206 78 B K H X S+ 0 0 6 -4,-2.3 4,-3.0 -9,-0.2 5,-0.3 0.860 110.0 59.6 -68.3 -32.3 14.0 -19.2 6.9 207 79 B Y H X S+ 0 0 44 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.958 110.8 39.8 -57.7 -52.0 15.8 -16.6 9.0 208 80 B W H X S+ 0 0 33 -4,-2.2 4,-3.0 2,-0.2 5,-0.4 0.896 115.6 52.2 -63.3 -42.1 12.5 -15.5 10.7 209 81 B V H X>S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 5,-0.6 0.939 115.8 40.2 -62.0 -47.2 11.3 -19.1 11.0 210 82 B I H X5S+ 0 0 0 -4,-3.0 4,-1.6 3,-0.2 -2,-0.2 0.961 118.9 45.8 -64.1 -51.8 14.5 -20.2 12.6 211 83 B K H <5S+ 0 0 77 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.893 123.3 32.8 -60.4 -43.1 14.9 -17.2 14.8 212 84 B L H <5S+ 0 0 11 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.2 0.788 126.4 34.5 -87.9 -30.4 11.3 -17.1 16.0 213 85 B M H ><5S+ 0 0 1 -4,-2.0 3,-1.7 -5,-0.4 4,-0.3 0.826 98.6 70.8-100.7 -32.5 10.3 -20.7 16.1 214 86 B I G ><> - 0 0 10 -2,-0.5 4,-2.3 -166,-0.2 3,-1.5 -0.372 41.4 -88.2 -62.1 151.9 9.1 -28.8 22.1 219 91 B Y H 3> S+ 0 0 77 -170,-0.3 4,-2.3 1,-0.3 5,-0.2 0.744 124.0 47.1 -32.5 -58.4 11.9 -31.4 22.3 220 92 B P H 3> S+ 0 0 64 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.856 117.1 44.4 -63.9 -31.3 10.8 -33.9 19.6 221 93 B N H <> S+ 0 0 12 -3,-1.5 4,-1.1 2,-0.2 3,-0.3 0.860 109.3 56.7 -77.7 -36.5 10.2 -31.1 17.1 222 94 B K H X S+ 0 0 10 -4,-2.3 4,-0.5 1,-0.2 3,-0.5 0.887 105.0 52.7 -56.2 -42.0 13.4 -29.4 18.0 223 95 B Q H >< S+ 0 0 73 -4,-2.3 3,-0.5 -5,-0.3 4,-0.4 0.813 101.6 60.9 -70.0 -24.6 15.3 -32.5 17.1 224 96 B L H 3< S+ 0 0 89 -4,-0.8 3,-0.4 -3,-0.3 4,-0.2 0.849 107.6 42.9 -68.3 -33.6 13.7 -32.6 13.7 225 97 B V H 3X S+ 0 0 0 -4,-1.1 4,-1.8 -3,-0.5 3,-0.3 0.455 86.2 92.1 -95.0 -1.9 15.1 -29.3 12.6 226 98 B K H S+ 0 0 78 -4,-0.4 4,-2.1 -3,-0.4 -1,-0.2 0.884 105.6 46.9 -54.6 -46.1 19.7 -31.2 10.6 228 100 B E H > S+ 0 0 18 -3,-0.3 4,-2.9 -4,-0.2 -1,-0.2 0.895 109.9 52.7 -69.0 -41.5 18.8 -28.0 8.8 229 101 B L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.918 109.8 49.4 -57.9 -47.6 20.6 -25.7 11.4 230 102 B E H X S+ 0 0 90 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.930 112.4 48.3 -56.4 -47.9 23.8 -27.8 11.0 231 103 B R H >< S+ 0 0 105 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.944 114.1 45.3 -58.6 -50.6 23.6 -27.5 7.2 232 104 B L H >< S+ 0 0 2 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.849 107.4 57.8 -63.2 -37.4 22.9 -23.7 7.3 233 105 B S H 3< S+ 0 0 14 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.675 104.3 55.1 -68.0 -16.2 25.7 -23.1 9.9 234 106 B S T << S+ 0 0 96 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.418 80.4 120.0 -97.0 0.7 28.1 -24.7 7.4 235 107 B L S < S- 0 0 59 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.0 -0.291 72.8-107.1 -66.0 148.5 27.4 -22.4 4.4 236 108 B E - 0 0 168 1,-0.1 2,-1.0 2,-0.0 -1,-0.1 -0.605 33.1-124.3 -72.1 135.3 30.2 -20.4 3.0 237 109 B I + 0 0 65 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.725 49.4 150.8 -87.0 102.4 29.6 -16.7 3.9 238 110 B I + 0 0 129 -2,-1.0 2,-0.3 1,-0.1 -1,-0.2 0.643 65.2 11.8-110.6 -18.9 29.6 -14.8 0.7 239 111 B N S > S- 0 0 69 1,-0.1 4,-2.2 0, 0.0 -1,-0.1 -0.897 81.4 -97.5-144.4-177.4 27.3 -11.9 1.6 240 112 B E H > S+ 0 0 105 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.859 118.6 55.9 -72.5 -34.7 25.7 -10.3 4.7 241 113 B D H > S+ 0 0 108 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.893 111.8 44.5 -63.4 -39.1 22.3 -12.0 4.3 242 114 B I H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.924 110.6 54.5 -68.8 -43.2 24.1 -15.4 4.3 243 115 B R H X S+ 0 0 103 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.877 105.0 55.1 -58.9 -40.0 26.3 -14.3 7.3 244 116 B E H X S+ 0 0 88 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.913 112.3 40.5 -59.0 -45.3 23.1 -13.4 9.2 245 117 B I H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.828 114.7 51.4 -80.8 -30.0 21.6 -16.9 8.9 246 118 B V H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.911 113.4 45.1 -62.7 -47.8 24.9 -18.8 9.4 247 119 B N H X S+ 0 0 83 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.842 113.3 50.1 -69.9 -34.8 25.6 -16.9 12.6 248 120 B L H X S+ 0 0 19 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.927 112.1 48.1 -64.5 -47.1 22.0 -17.3 13.9 249 121 B S H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.935 112.8 48.6 -61.1 -46.2 22.2 -21.0 13.1 250 122 B K H X S+ 0 0 104 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.945 113.6 45.5 -57.6 -50.4 25.6 -21.2 14.9 251 123 B D H X S+ 0 0 78 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.871 114.8 48.9 -62.5 -35.6 24.3 -19.3 18.0 252 124 B Y H X>S+ 0 0 24 -4,-2.7 4,-2.6 2,-0.2 5,-0.6 0.875 111.1 47.9 -75.7 -36.9 21.1 -21.4 18.1 253 125 B L H X5S+ 0 0 36 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.935 114.5 48.8 -61.6 -47.1 22.9 -24.7 17.8 254 126 B H H <5S+ 0 0 124 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.901 122.5 31.8 -56.2 -45.2 25.3 -23.5 20.6 255 127 B F H <5S+ 0 0 49 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.937 125.3 35.4 -84.5 -49.7 22.5 -22.4 22.9 256 128 B Y H <5 0 0 25 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.795 360.0 360.0 -83.5 -30.3 19.6 -24.7 22.2 257 129 B Y << 0 0 76 -4,-1.3 -34,-0.0 -5,-0.6 -35,-0.0 -0.405 360.0 360.0-103.5 360.0 21.2 -28.1 21.6