==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 04-MAR-10 3M1D . COMPND 2 MOLECULE: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.D.MACE,C.L.DAY . 155 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 56.1 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 . 14 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.6 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 3 1 2 2 0 0 0 0 0 0 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 . 0 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 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 41 A Y 0 0 255 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -84.6 -20.9 22.0 4.5 2 42 A D > + 0 0 20 1,-0.1 4,-2.0 2,-0.1 5,-0.2 -0.067 360.0 115.9-101.1 27.5 -17.2 21.2 3.9 3 43 A F H > S+ 0 0 150 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.981 81.3 25.9 -65.9 -62.9 -16.6 22.4 7.5 4 44 A S H > S+ 0 0 86 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.784 116.3 67.7 -70.1 -27.6 -15.4 19.2 9.2 5 45 A a H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.922 100.1 45.7 -62.2 -47.7 -14.1 17.9 5.8 6 46 A E H X S+ 0 0 66 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.875 113.3 52.0 -61.6 -35.8 -11.4 20.5 5.5 7 47 A L H X S+ 0 0 105 -4,-1.0 4,-2.0 -5,-0.2 -2,-0.2 0.910 108.5 49.7 -68.1 -43.1 -10.4 19.9 9.1 8 48 A Y H X S+ 0 0 137 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.942 108.9 52.9 -57.2 -48.4 -10.2 16.2 8.5 9 49 A R H >< S+ 0 0 2 -4,-2.7 3,-1.1 1,-0.2 25,-0.5 0.933 106.9 52.7 -54.3 -47.1 -8.0 16.9 5.5 10 50 A M H >< S+ 0 0 71 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.911 103.2 58.2 -52.8 -45.7 -5.7 19.0 7.7 11 51 A S H >< S+ 0 0 70 -4,-2.0 3,-1.4 1,-0.3 -1,-0.3 0.785 94.5 65.7 -57.6 -27.7 -5.4 16.1 10.2 12 52 A T G X< S+ 0 0 21 -4,-1.1 3,-0.7 -3,-1.1 -1,-0.3 0.653 87.9 69.7 -72.2 -11.9 -4.0 13.8 7.5 13 53 A Y G X + 0 0 8 -3,-2.0 3,-1.8 -4,-0.4 -1,-0.3 0.413 63.6 104.4 -87.1 6.2 -0.9 16.0 7.2 14 54 A S G < S+ 0 0 110 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.833 91.6 35.7 -54.5 -32.7 0.4 14.9 10.6 15 55 A T G < S+ 0 0 97 -3,-0.7 -1,-0.3 19,-0.0 -2,-0.1 0.317 85.7 135.3-102.4 4.4 2.9 12.7 8.8 16 56 A F < - 0 0 17 -3,-1.8 23,-0.1 1,-0.1 -3,-0.1 -0.275 67.3 -98.1 -54.6 137.1 3.6 15.1 5.9 17 57 A P > - 0 0 51 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.314 28.6-123.9 -64.4 146.1 7.3 15.3 5.2 18 58 A A T 3 S+ 0 0 110 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.796 98.5 53.9 -58.8 -40.8 9.1 18.3 6.7 19 59 A G T 3 + 0 0 74 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.371 68.7 128.8 -88.5 8.1 10.8 19.8 3.6 20 60 A V < - 0 0 28 -3,-1.1 34,-0.1 1,-0.1 4,-0.1 -0.462 54.4-141.6 -69.6 128.0 7.8 20.3 1.3 21 61 A P S S+ 0 0 60 0, 0.0 35,-0.7 0, 0.0 2,-0.4 0.059 76.4 73.4 -84.5 23.3 7.7 23.9 0.0 22 62 A V S S- 0 0 12 33,-0.1 -2,-0.1 31,-0.1 2,-0.1 -0.997 86.9-107.3-134.2 141.6 3.9 24.3 0.1 23 63 A S > - 0 0 53 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.351 13.4-137.5 -69.8 144.5 1.8 24.7 3.3 24 64 A E H > S+ 0 0 68 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.841 105.3 57.4 -66.1 -36.1 -0.4 21.9 4.5 25 65 A R H > S+ 0 0 152 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 106.8 47.8 -62.3 -43.0 -3.2 24.3 5.2 26 66 A S H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.907 112.1 50.1 -65.7 -39.7 -3.2 25.5 1.6 27 67 A L H <>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 3,-0.3 0.963 113.3 44.9 -59.6 -51.2 -3.2 21.9 0.4 28 68 A A H ><5S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.867 111.1 53.3 -63.2 -39.6 -6.2 21.0 2.6 29 69 A R H 3<5S+ 0 0 135 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.823 103.4 57.7 -63.5 -32.8 -8.1 24.2 1.7 30 70 A A T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.407 128.6 -99.2 -80.1 4.5 -7.6 23.2 -2.0 31 71 A G T < 5S+ 0 0 0 -3,-1.4 13,-2.6 1,-0.3 2,-0.4 0.453 80.3 134.4 97.6 4.1 -9.4 20.0 -1.2 32 72 A F E < -A 43 0A 0 -5,-2.3 2,-0.3 11,-0.2 -1,-0.3 -0.704 33.4-169.8 -96.0 135.8 -6.4 17.8 -0.9 33 73 A Y E -A 42 0A 55 9,-2.8 9,-2.5 -2,-0.4 2,-0.4 -0.799 34.1-100.1-111.9 164.4 -5.6 15.2 1.8 34 74 A Y E -A 41 0A 21 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.692 19.5-156.6 -90.2 131.3 -2.3 13.5 2.3 35 75 A T - 0 0 44 5,-2.3 -1,-0.1 -2,-0.4 6,-0.1 0.646 40.0-116.3 -77.8 -18.2 -2.0 9.9 0.9 36 76 A G S S+ 0 0 46 4,-0.4 2,-0.5 1,-0.2 5,-0.1 0.428 84.7 107.6 92.9 1.4 0.9 9.0 3.3 37 77 A V S > S- 0 0 69 3,-0.5 3,-2.7 -21,-0.0 -2,-0.3 -0.958 92.8 -56.7-117.1 124.4 3.2 8.6 0.3 38 78 A N T 3 S- 0 0 115 -2,-0.5 -2,-0.1 1,-0.3 13,-0.0 -0.181 106.6 -42.1 48.1-128.5 6.0 11.0 -0.4 39 79 A D T 3 S+ 0 0 23 -23,-0.1 2,-0.4 -4,-0.1 -1,-0.3 -0.019 98.9 139.3-115.0 28.7 4.4 14.4 -0.8 40 80 A K < - 0 0 60 -3,-2.7 -5,-2.3 11,-0.1 -3,-0.5 -0.590 28.0-177.4 -82.9 128.7 1.5 13.0 -2.8 41 81 A V E -AB 34 50A 0 9,-3.0 9,-2.3 -2,-0.4 2,-0.4 -0.821 11.0-151.3-125.1 162.6 -2.0 14.4 -2.1 42 82 A K E -AB 33 49A 72 -9,-2.5 -9,-2.8 -2,-0.3 2,-0.3 -0.991 22.1-113.8-139.5 137.5 -5.4 13.6 -3.4 43 83 A C E > -A 32 0A 2 5,-2.1 4,-1.5 -2,-0.4 -11,-0.2 -0.589 16.7-145.8 -73.1 130.7 -8.6 15.6 -3.8 44 84 A F T 4 S+ 0 0 79 -13,-2.6 -1,-0.2 -2,-0.3 -12,-0.1 0.732 97.2 42.7 -65.5 -21.8 -11.4 14.4 -1.6 45 85 A a T 4 S+ 0 0 58 -14,-0.3 -1,-0.2 3,-0.1 26,-0.1 0.910 132.0 10.5 -92.8 -49.6 -13.9 15.3 -4.3 46 86 A C T 4 S- 0 0 15 2,-0.1 -2,-0.1 24,-0.1 23,-0.0 0.517 90.1-121.6-113.7 -8.7 -12.5 14.2 -7.6 47 87 A G < + 0 0 17 -4,-1.5 101,-0.1 1,-0.2 -3,-0.1 0.572 47.9 165.6 78.3 7.3 -9.5 12.0 -6.7 48 88 A L - 0 0 0 98,-0.1 -5,-2.1 -6,-0.1 2,-0.4 -0.384 25.6-147.0 -55.7 133.7 -6.9 14.2 -8.6 49 89 A M E +B 42 0A 27 96,-2.7 2,-0.4 -7,-0.2 -7,-0.2 -0.930 20.7 175.4-116.2 130.5 -3.4 13.2 -7.4 50 90 A L E +B 41 0A 8 -9,-2.3 -9,-3.0 -2,-0.4 2,-0.2 -0.987 6.3 153.1-137.1 136.3 -0.5 15.6 -7.2 51 91 A D + 0 0 75 -2,-0.4 -11,-0.1 -11,-0.3 -13,-0.1 -0.780 45.9 65.6-144.1-168.0 3.0 15.3 -5.9 52 92 A N S S- 0 0 96 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.932 70.7-161.1 49.5 52.4 6.5 16.8 -6.3 53 93 A W - 0 0 6 -14,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.428 3.0-154.3 -66.7 134.7 5.3 20.1 -5.0 54 94 A K > - 0 0 111 -2,-0.1 3,-2.4 -34,-0.1 -1,-0.0 -0.800 30.4 -82.6-112.3 153.4 7.6 23.1 -5.9 55 95 A L T 3 S+ 0 0 152 -2,-0.3 -33,-0.1 1,-0.3 3,-0.1 -0.274 118.0 17.5 -50.5 128.4 8.1 26.4 -4.2 56 96 A G T 3 S+ 0 0 71 -35,-0.7 -1,-0.3 1,-0.3 2,-0.1 0.367 87.3 147.8 89.5 -5.5 5.4 28.8 -5.2 57 97 A D < - 0 0 43 -3,-2.4 -1,-0.3 -36,-0.2 3,-0.1 -0.402 41.1-142.0 -63.6 135.9 3.0 26.1 -6.5 58 98 A S > - 0 0 42 1,-0.2 4,-2.9 -2,-0.1 5,-0.3 -0.881 8.2-162.5-102.4 113.2 -0.6 26.9 -6.1 59 99 A P H > S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.897 93.6 50.0 -60.6 -37.3 -2.7 23.9 -5.1 60 100 A I H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.916 113.2 45.4 -67.4 -41.5 -5.9 25.7 -6.1 61 101 A Q H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.912 113.2 48.4 -66.5 -46.1 -4.5 26.7 -9.5 62 102 A K H X S+ 0 0 51 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.935 113.9 49.5 -58.2 -42.6 -3.1 23.3 -10.2 63 103 A H H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.930 112.3 45.2 -61.2 -52.2 -6.4 21.8 -9.2 64 104 A K H < S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.9 47.0 -57.5 -41.4 -8.5 24.1 -11.4 65 105 A Q H < S+ 0 0 113 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.854 118.4 36.7 -72.2 -41.0 -6.1 23.6 -14.4 66 106 A L H < S+ 0 0 26 -4,-2.4 62,-2.7 -5,-0.2 -2,-0.2 0.889 133.6 16.5 -85.9 -41.5 -5.8 19.9 -14.3 67 107 A Y >< + 0 0 20 -4,-2.3 3,-1.5 -5,-0.3 -1,-0.2 -0.575 63.3 164.0-136.1 73.6 -9.3 18.8 -13.3 68 108 A P T 3 + 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.661 69.6 71.1 -63.9 -20.4 -11.8 21.7 -13.8 69 109 A S T 3 + 0 0 61 57,-0.2 2,-0.3 56,-0.2 -5,-0.1 0.559 66.8 117.2 -81.3 -6.4 -14.9 19.4 -13.6 70 110 A C <> - 0 0 3 -3,-1.5 4,-2.0 -7,-0.2 5,-0.2 -0.466 60.3-148.7 -59.8 118.1 -14.4 18.8 -9.9 71 111 A S H > S+ 0 0 71 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.856 94.9 53.9 -59.2 -38.1 -17.5 20.3 -8.2 72 112 A F H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.983 109.3 44.7 -62.5 -56.3 -15.5 21.2 -5.1 73 113 A I H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.847 113.7 53.0 -58.6 -32.0 -12.8 23.2 -6.9 74 114 A Q H X S+ 0 0 93 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.902 113.8 41.3 -67.6 -41.9 -15.6 24.9 -9.0 75 115 A N H < S+ 0 0 118 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.2 0.801 111.5 56.1 -77.5 -29.4 -17.6 25.9 -5.9 76 116 A L H < S+ 0 0 73 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.925 113.9 39.7 -65.2 -43.9 -14.4 27.0 -4.0 77 117 A V H < 0 0 73 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.643 360.0 360.0 -83.3 -17.3 -13.4 29.4 -6.7 78 118 A S < 0 0 129 -4,-1.0 -4,-0.0 -5,-0.1 0, 0.0 -0.689 360.0 360.0 -87.5 360.0 -16.9 30.7 -7.5 79 !* 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 80 41 B Y 0 0 249 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-155.4 -15.1 0.6 -29.3 81 42 B D > + 0 0 16 1,-0.1 4,-2.7 2,-0.1 5,-0.3 0.248 360.0 110.1-104.7 8.4 -12.6 3.5 -29.4 82 43 B F H > S+ 0 0 151 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.939 87.5 27.9 -53.3 -60.7 -11.9 3.1 -33.1 83 44 B S H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.849 116.2 64.3 -71.7 -31.8 -13.7 6.2 -34.4 84 45 B b H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.918 103.0 46.4 -57.7 -48.2 -13.2 8.1 -31.2 85 46 B E H X S+ 0 0 59 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.889 111.0 52.0 -61.9 -42.4 -9.4 8.1 -31.6 86 47 B L H X S+ 0 0 92 -4,-1.2 4,-2.2 -5,-0.3 -2,-0.2 0.901 110.1 50.3 -61.3 -40.2 -9.7 9.2 -35.2 87 48 B Y H X S+ 0 0 136 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.945 111.3 46.9 -61.1 -48.2 -11.9 12.0 -33.9 88 49 B R H >< S+ 0 0 1 -4,-2.7 3,-0.9 1,-0.2 25,-0.5 0.926 110.4 54.0 -59.8 -43.2 -9.3 13.0 -31.3 89 50 B M H >< S+ 0 0 52 -4,-3.2 3,-1.7 1,-0.2 -1,-0.2 0.912 102.7 58.1 -54.3 -44.1 -6.6 12.8 -34.0 90 51 B S H >< S+ 0 0 68 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.784 93.5 66.5 -59.5 -28.1 -8.6 15.2 -36.1 91 52 B T G X< S+ 0 0 23 -4,-1.1 3,-0.7 -3,-0.9 -1,-0.3 0.658 87.3 70.5 -70.2 -14.7 -8.5 17.9 -33.4 92 53 B Y G X + 0 0 7 -3,-1.7 3,-2.2 -4,-0.4 -1,-0.3 0.387 61.7 107.1 -84.8 5.4 -4.7 18.2 -33.8 93 54 B S G < S+ 0 0 107 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.845 89.2 36.8 -49.1 -35.4 -5.1 19.9 -37.2 94 55 B T G < S+ 0 0 101 -3,-0.7 -1,-0.3 2,-0.0 -2,-0.1 0.018 84.6 136.5-112.0 27.6 -4.1 23.2 -35.6 95 56 B F < - 0 0 16 -3,-2.2 23,-0.1 1,-0.1 8,-0.1 -0.648 63.5-104.1 -79.2 125.2 -1.5 21.9 -33.1 96 57 B P > - 0 0 56 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.118 19.9-133.9 -47.3 138.2 1.7 24.0 -32.9 97 58 B A T 3 S+ 0 0 107 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.737 97.6 72.1 -69.1 -22.6 4.7 22.5 -34.6 98 59 B G T 3 + 0 0 71 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.571 66.8 116.0 -73.1 -10.6 6.9 23.2 -31.7 99 60 B V < - 0 0 25 -3,-1.1 4,-0.1 1,-0.1 34,-0.1 -0.482 57.2-151.2 -70.6 120.7 5.4 20.6 -29.4 100 61 B P S S+ 0 0 63 0, 0.0 35,-0.5 0, 0.0 2,-0.4 0.230 73.0 83.2 -74.7 10.5 8.0 17.8 -28.5 101 62 B V S S- 0 0 11 33,-0.1 2,-0.4 31,-0.1 -2,-0.1 -0.958 86.5-109.1-122.4 141.1 5.2 15.2 -28.1 102 63 B S >> - 0 0 64 -2,-0.4 4,-2.1 1,-0.2 3,-0.9 -0.496 14.6-144.8 -72.8 120.2 3.6 13.2 -30.9 103 64 B E H 3> S+ 0 0 68 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.851 101.5 56.3 -45.9 -39.5 -0.0 14.2 -31.7 104 65 B R H 3> S+ 0 0 169 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.862 105.2 48.3 -66.9 -39.0 -0.7 10.5 -32.4 105 66 B S H <> S+ 0 0 44 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.891 110.5 53.0 -69.5 -39.1 0.4 9.3 -28.9 106 67 B L H <>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 -2,-0.2 0.938 111.8 44.5 -57.8 -48.6 -1.7 12.0 -27.3 107 68 B A H ><5S+ 0 0 1 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.899 112.6 51.7 -65.1 -41.4 -4.8 10.9 -29.2 108 69 B R H 3<5S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 105.2 56.7 -61.6 -34.3 -4.0 7.2 -28.4 109 70 B A T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.459 129.7 -97.5 -76.8 -2.6 -3.7 8.2 -24.7 110 71 B G T < 5S+ 0 0 0 -3,-1.4 13,-2.5 1,-0.3 2,-0.4 0.405 81.1 134.0 104.3 0.5 -7.2 9.6 -24.9 111 72 B F E < -C 122 0B 0 -5,-2.8 2,-0.3 11,-0.2 -1,-0.3 -0.687 32.6-172.1 -95.4 133.1 -6.4 13.2 -25.4 112 73 B Y E -C 121 0B 60 9,-2.6 9,-2.5 -2,-0.4 2,-0.3 -0.863 35.6-100.2-111.8 155.6 -7.9 15.6 -27.9 113 74 B Y E -C 120 0B 19 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.549 19.7-156.4 -79.4 133.4 -6.6 19.2 -28.6 114 75 B T - 0 0 45 5,-2.5 -1,-0.1 -2,-0.3 6,-0.1 0.650 39.9-116.4 -82.2 -17.3 -8.4 22.0 -26.9 115 76 B G S S+ 0 0 46 4,-0.4 2,-0.4 1,-0.2 5,-0.1 0.603 83.3 106.1 90.3 13.8 -7.3 24.6 -29.4 116 77 B V S > S- 0 0 62 3,-0.5 3,-2.9 0, 0.0 -2,-0.3 -0.995 93.7 -54.7-129.9 125.3 -5.3 26.6 -26.9 117 78 B N T 3 S- 0 0 114 -2,-0.4 -2,-0.1 1,-0.3 13,-0.0 -0.136 108.8 -40.7 43.8-127.2 -1.5 26.6 -26.7 118 79 B D T 3 S+ 0 0 24 -23,-0.1 2,-0.4 -3,-0.1 -1,-0.3 -0.038 97.8 141.9-112.4 32.0 -0.5 22.9 -26.4 119 80 B K < - 0 0 61 -3,-2.9 -5,-2.5 11,-0.1 -3,-0.5 -0.601 25.9-178.8 -81.5 123.7 -3.4 22.1 -24.0 120 81 B V E -CD 113 129B 0 9,-3.4 9,-2.2 -2,-0.4 2,-0.3 -0.751 10.5-153.5-120.2 168.2 -5.1 18.7 -24.4 121 82 B K E -CD 112 128B 58 -9,-2.5 -9,-2.6 -2,-0.2 2,-0.4 -0.999 21.5-113.8-147.4 139.4 -8.0 17.0 -22.7 122 83 B C E > -C 111 0B 2 5,-2.2 4,-1.6 -2,-0.3 -11,-0.2 -0.609 15.9-148.2 -78.3 129.4 -9.1 13.4 -22.1 123 84 B F T 4 S+ 0 0 81 -13,-2.5 -1,-0.1 -2,-0.4 -12,-0.1 0.719 96.4 44.9 -66.6 -20.9 -12.3 12.5 -23.8 124 85 B b T 4 S+ 0 0 59 -14,-0.3 -1,-0.2 3,-0.1 26,-0.1 0.909 131.4 8.8 -91.0 -49.0 -13.1 10.1 -21.0 125 86 B C T 4 S- 0 0 14 2,-0.1 -56,-0.2 24,-0.1 -2,-0.1 0.477 90.3-120.8-118.2 -7.8 -12.4 11.9 -17.7 126 87 B G < + 0 0 14 -4,-1.6 2,-0.2 1,-0.3 -57,-0.2 0.585 49.8 162.7 77.4 10.0 -11.7 15.5 -18.8 127 88 B L - 0 0 0 -60,-0.1 -5,-2.2 19,-0.1 2,-0.4 -0.460 26.7-148.7 -59.2 129.9 -8.1 15.6 -17.3 128 89 B M E +D 121 0B 21 -62,-2.7 2,-0.4 -7,-0.2 -7,-0.2 -0.903 19.0 177.3-111.2 132.8 -6.3 18.6 -19.0 129 90 B L E +D 120 0B 10 -9,-2.2 -9,-3.4 -2,-0.4 2,-0.2 -0.985 7.4 154.0-134.4 141.0 -2.6 18.6 -19.6 130 91 B D + 0 0 70 -2,-0.4 -11,-0.1 -11,-0.3 -13,-0.1 -0.791 43.2 67.1-147.8-168.1 -0.4 21.2 -21.3 131 92 B N S S- 0 0 91 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 0.964 70.2-160.7 47.3 64.3 3.2 22.5 -21.4 132 93 B W - 0 0 5 -3,-0.1 2,-0.3 -14,-0.1 -1,-0.1 -0.456 6.9-161.3 -77.8 148.1 4.5 19.3 -22.9 133 94 B K > - 0 0 112 -2,-0.1 3,-2.4 -34,-0.1 -34,-0.0 -0.949 32.3 -80.9-132.6 150.3 8.2 18.5 -22.7 134 95 B L T 3 S+ 0 0 151 -2,-0.3 -33,-0.1 1,-0.3 3,-0.1 -0.187 116.8 18.2 -53.0 130.3 10.6 16.1 -24.6 135 96 B G T 3 S+ 0 0 71 -35,-0.5 -1,-0.3 1,-0.3 -34,-0.1 0.117 88.2 146.1 94.0 -21.6 10.3 12.5 -23.3 136 97 B D < - 0 0 45 -3,-2.4 -1,-0.3 1,-0.1 -4,-0.0 -0.154 40.6-145.6 -46.8 138.9 7.0 13.2 -21.6 137 98 B S > - 0 0 42 1,-0.1 4,-3.0 -3,-0.1 5,-0.3 -0.934 7.4-160.8-115.8 110.4 4.7 10.2 -21.7 138 99 B P H > S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.851 93.4 48.9 -57.8 -38.9 0.9 11.0 -22.0 139 100 B I H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.915 113.6 46.1 -67.2 -43.6 -0.1 7.6 -20.8 140 101 B Q H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.943 114.0 47.2 -65.3 -48.8 2.2 7.8 -17.7 141 102 B K H X S+ 0 0 51 -4,-3.0 4,-2.0 1,-0.2 5,-0.3 0.892 113.7 49.1 -57.3 -42.9 1.2 11.4 -16.9 142 103 B H H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.907 110.7 51.2 -62.0 -41.8 -2.5 10.4 -17.2 143 104 B K H < S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.805 112.0 45.8 -68.7 -33.9 -2.0 7.4 -15.1 144 105 B Q H < S+ 0 0 104 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.860 119.0 37.2 -79.1 -37.7 -0.3 9.3 -12.3 145 106 B L H < S+ 0 0 29 -4,-2.0 -96,-2.7 1,-0.2 -2,-0.2 0.853 132.8 14.5 -88.2 -39.3 -2.7 12.3 -12.0 146 107 B Y >< + 0 0 20 -4,-2.1 3,-1.4 -5,-0.3 -1,-0.2 -0.530 63.6 162.5-140.1 69.9 -6.1 10.7 -12.7 147 108 B P T 3 + 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.619 65.6 78.3 -67.6 -13.5 -5.9 6.9 -12.3 148 109 B S T 3 + 0 0 71 -101,-0.1 2,-0.6 4,-0.1 -5,-0.1 0.462 64.8 118.0 -77.5 3.1 -9.7 6.6 -11.9 149 110 B C <> - 0 0 3 -3,-1.4 4,-2.0 -7,-0.2 5,-0.2 -0.573 57.0-153.6 -73.3 115.4 -10.1 7.0 -15.7 150 111 B S H > S+ 0 0 78 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.846 93.9 52.6 -56.4 -35.7 -11.7 3.9 -17.2 151 112 B F H > S+ 0 0 29 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.965 110.1 43.9 -66.7 -53.0 -10.1 4.6 -20.5 152 113 B I H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.796 112.3 56.5 -64.3 -27.4 -6.5 5.0 -19.3 153 114 B Q H < S+ 0 0 96 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.961 106.8 45.9 -66.1 -52.7 -7.0 1.9 -17.1 154 115 B N H < S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.595 115.1 51.8 -66.8 -10.5 -8.0 -0.3 -20.0 155 116 B L H < 0 0 46 -4,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.862 360.0 360.0 -90.7 -45.0 -5.0 1.1 -21.9 156 117 B V < 0 0 98 -4,-2.3 -3,-0.1 -5,-0.1 -16,-0.0 0.649 360.0 360.0 -97.0 360.0 -2.3 0.6 -19.2