==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, HYDROLASE 09-JUL-07 2QJT . COMPND 2 MOLECULE: NICOTINAMIDE-NUCLEOTIDE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS; . AUTHOR N.HUANG,L.SORCI,X.ZHANG,C.BRAUTIGAN,N.RAFFAELLI,G.MAGNI, . 684 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 7.9 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 . 4 0.6 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 . 3 0.4 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 . 56 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 1 1 0 4 2 2 0 3 3 3 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 1 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 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 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 B M 0 0 145 0, 0.0 28,-0.2 0, 0.0 103,-0.1 0.000 360.0 360.0 360.0 -63.3 44.0 -15.0 41.7 2 2 B Y E -a 29 0A 32 26,-2.3 28,-1.1 1,-0.1 29,-0.2 -0.455 360.0-137.4 -72.2 150.5 41.6 -14.1 38.8 3 3 B D E S+ 0 0 49 101,-1.1 28,-0.6 26,-0.2 2,-0.4 0.809 86.1 20.0 -72.5 -36.5 42.6 -15.2 35.3 4 4 B I E -ab 31 105A 5 100,-1.8 102,-2.1 26,-0.2 2,-0.3 -0.992 61.4-165.0-137.6 135.2 41.6 -12.0 33.6 5 5 B S E -ab 32 106A 0 26,-2.1 28,-2.9 -2,-0.4 2,-0.5 -0.925 17.1-141.4-114.4 154.3 41.1 -8.4 34.9 6 6 B V E -ab 33 107A 0 100,-2.0 102,-2.7 -2,-0.3 2,-0.4 -0.969 19.0-175.7-120.3 125.2 39.3 -5.8 32.8 7 7 B F E -a 34 0A 9 26,-3.0 28,-3.6 -2,-0.5 2,-0.4 -0.985 3.8-166.6-131.2 131.3 40.5 -2.2 32.8 8 8 B I E +a 35 0A 35 -2,-0.4 2,-0.3 100,-0.3 28,-0.2 -0.966 20.9 135.7-125.3 132.3 38.9 0.8 31.1 9 9 B G E -a 36 0A 14 26,-2.2 28,-3.1 -2,-0.4 5,-0.1 -0.983 50.2-129.9-160.9 171.4 40.3 4.3 30.4 10 10 B R - 0 0 92 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.828 32.7-158.3 -92.8 -38.3 40.6 7.1 27.9 11 11 B F > + 0 0 1 2,-0.2 3,-0.7 1,-0.1 46,-0.1 0.915 15.7 178.4 59.1 53.8 44.4 7.5 28.4 12 12 B Q T 3 S- 0 0 4 1,-0.7 130,-0.2 34,-0.1 -1,-0.1 -0.615 91.8 -10.4-115.7 67.9 44.6 11.0 27.0 13 13 B P T 3 S- 0 0 3 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.575 93.0-117.4 -97.5-174.8 47.4 10.5 27.8 14 14 B F < + 0 0 0 -3,-0.7 2,-0.3 -4,-0.1 142,-0.2 -0.539 45.9 171.5 -68.9 139.7 48.5 7.5 29.9 15 15 B H > - 0 0 13 -2,-0.2 4,-2.3 140,-0.1 3,-0.5 -0.852 48.4 -79.6-147.0 177.2 50.0 8.6 33.2 16 16 B K H > S+ 0 0 85 138,-2.0 4,-2.6 1,-0.3 5,-0.1 0.763 123.8 56.0 -54.6 -32.4 51.3 7.5 36.6 17 17 B G H > S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.923 109.1 46.1 -67.7 -44.5 47.7 7.1 38.0 18 18 B H H > S+ 0 0 35 -3,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.913 113.1 50.4 -58.4 -47.9 46.8 4.7 35.2 19 19 B L H >X S+ 0 0 20 -4,-2.3 4,-2.1 1,-0.2 3,-0.9 0.946 106.8 54.9 -54.4 -53.1 50.1 2.8 35.8 20 20 B H H 3X S+ 0 0 76 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.901 109.7 46.7 -46.5 -49.5 49.4 2.5 39.5 21 21 B N H 3X S+ 0 0 5 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.707 108.2 53.9 -71.1 -24.4 46.0 1.0 38.8 22 22 B I H X S+ 0 0 32 -4,-1.8 3,-1.1 1,-0.2 4,-0.8 0.953 108.9 56.3 -54.7 -50.8 47.1 -3.4 41.4 25 25 B A H 3< S+ 0 0 0 -4,-1.8 4,-0.5 1,-0.3 3,-0.3 0.821 109.2 47.3 -49.6 -35.7 45.1 -5.3 38.6 26 26 B L H 3< S+ 0 0 37 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.619 102.8 59.6 -87.6 -17.5 48.1 -7.5 38.0 27 27 B Q H << S+ 0 0 146 -4,-1.2 -1,-0.2 -3,-1.1 -2,-0.2 0.624 116.7 37.4 -73.3 -12.7 48.6 -8.3 41.7 28 28 B N S < S+ 0 0 44 -4,-0.8 -26,-2.3 -3,-0.3 2,-0.3 0.457 123.9 30.4-119.8 -9.0 45.0 -9.7 41.5 29 29 B S E -a 2 0A 8 -4,-0.5 -26,-0.2 -28,-0.2 3,-0.1 -0.913 64.8-131.4-146.9 170.2 45.0 -11.3 38.1 30 30 B K E S+ 0 0 141 -28,-1.1 2,-0.3 1,-0.3 -26,-0.2 0.708 95.7 25.4 -98.7 -27.6 47.3 -13.0 35.7 31 31 B K E -a 4 0A 64 -28,-0.6 -26,-2.1 -29,-0.2 2,-0.4 -0.996 69.1-152.8-138.2 136.7 46.4 -11.1 32.5 32 32 B V E -ac 5 72A 0 39,-2.5 41,-2.0 -2,-0.3 2,-0.6 -0.926 6.9-149.8-111.9 133.2 44.9 -7.5 32.3 33 33 B I E -ac 6 73A 0 -28,-2.9 -26,-3.0 -2,-0.4 2,-0.6 -0.936 13.7-155.7-104.6 113.0 42.7 -6.5 29.4 34 34 B I E -ac 7 74A 0 39,-3.4 41,-3.2 -2,-0.6 2,-0.6 -0.825 5.6-164.5 -97.4 119.2 43.0 -2.8 28.7 35 35 B N E -ac 8 75A 0 -28,-3.6 -26,-2.2 -2,-0.6 2,-0.7 -0.931 8.3-150.4-105.4 120.2 40.1 -1.1 27.0 36 36 B I E -ac 9 76A 0 39,-2.7 41,-2.8 -2,-0.6 3,-0.3 -0.834 16.9-146.0 -91.5 116.0 40.8 2.3 25.5 37 37 B G E S+ 0 0 8 -28,-3.1 41,-0.2 -2,-0.7 42,-0.1 -0.450 70.0 28.8 -81.2 157.9 37.6 4.4 25.4 38 38 B S E S+ 0 0 5 40,-0.2 3,-0.4 39,-0.2 40,-0.2 0.921 78.8 165.7 58.0 55.4 36.6 7.0 22.8 39 39 B C E + c 0 78A 0 38,-2.3 40,-0.6 -3,-0.3 -1,-0.2 -0.528 48.7 34.2 -93.0 162.8 38.4 5.4 19.9 40 40 B F S S+ 0 0 90 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.566 84.9 124.3 68.9 16.1 37.9 6.2 16.2 41 41 B N - 0 0 46 -3,-0.4 -1,-0.3 285,-0.1 285,-0.2 -0.761 67.2-106.1 -96.7 151.7 37.2 10.0 16.7 42 42 B T - 0 0 6 286,-0.5 2,-0.2 -2,-0.3 285,-0.1 -0.300 54.1 -79.3 -65.2 155.5 39.2 12.7 15.1 43 43 B P + 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.454 58.1 167.6 -62.2 125.8 41.6 14.6 17.4 44 44 B N - 0 0 30 3,-1.0 3,-0.1 -2,-0.2 136,-0.1 -0.862 52.4 -96.9-126.4 167.7 39.9 17.2 19.6 45 45 B I S S+ 0 0 1 -2,-0.3 101,-0.1 1,-0.2 135,-0.0 0.816 126.2 43.7 -52.2 -31.6 41.4 19.0 22.6 46 46 B K S S+ 0 0 60 1,-0.3 -1,-0.2 2,-0.1 -34,-0.1 0.809 126.8 31.2 -85.6 -34.0 39.8 16.5 25.0 47 47 B N S S+ 0 0 10 -3,-0.1 -3,-1.0 -5,-0.1 -1,-0.3 -0.606 71.9 156.1-119.3 66.8 40.8 13.5 22.9 48 48 B P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.777 54.3 66.8 -67.5 -28.4 44.1 14.5 21.2 49 49 B F S S- 0 0 5 -7,-0.1 -5,-0.1 1,-0.1 0, 0.0 -0.757 73.7-129.4-105.5 142.0 45.5 11.0 20.5 50 50 B S > - 0 0 49 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.155 34.7-100.8 -72.6 171.2 44.3 8.1 18.3 51 51 B F H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.921 123.6 47.9 -55.6 -50.5 43.8 4.5 19.4 52 52 B E H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 110.4 51.6 -59.4 -44.9 47.2 3.4 17.9 53 53 B Q H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 112.1 45.8 -57.6 -44.3 49.0 6.3 19.5 54 54 B R H X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.886 111.2 52.5 -67.8 -43.6 47.6 5.5 23.0 55 55 B K H X S+ 0 0 60 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.943 110.9 47.2 -50.8 -57.7 48.4 1.8 22.5 56 56 B Q H X S+ 0 0 104 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.941 113.2 50.5 -44.0 -58.2 52.1 2.7 21.6 57 57 B M H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 107,-0.4 0.889 111.6 46.1 -53.5 -44.4 52.2 5.0 24.7 58 58 B I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.965 112.7 49.2 -67.4 -50.4 50.9 2.4 27.1 59 59 B E H X S+ 0 0 76 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.891 112.7 48.0 -53.1 -46.0 53.2 -0.4 25.8 60 60 B S H X S+ 0 0 39 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.880 112.6 48.0 -68.0 -37.5 56.2 1.9 26.1 61 61 B D H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.830 110.2 52.4 -70.3 -33.7 55.3 3.1 29.6 62 62 B L H <>S+ 0 0 0 -4,-2.4 5,-3.2 2,-0.2 4,-0.5 0.875 108.8 49.9 -71.4 -37.8 54.7 -0.6 30.8 63 63 B Q H ><5S+ 0 0 137 -4,-2.1 3,-0.9 3,-0.3 -2,-0.2 0.950 110.9 49.6 -57.1 -49.6 58.2 -1.5 29.5 64 64 B V H 3<5S+ 0 0 60 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.829 118.4 40.0 -54.8 -31.3 59.6 1.5 31.4 65 65 B A T 3<5S- 0 0 43 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.497 116.8-129.7 -78.4 -14.3 57.6 0.2 34.5 66 66 B G T < 5 + 0 0 59 -3,-0.9 2,-0.4 -4,-0.5 -3,-0.3 0.499 48.2 160.9-101.5 113.8 58.6 -2.6 33.5 67 67 B I < - 0 0 28 -5,-3.2 2,-0.3 -6,-0.1 -1,-0.2 -0.789 49.7-105.2 -94.9 136.6 55.6 -4.9 33.3 68 68 B D > - 0 0 95 -2,-0.4 3,-1.7 1,-0.2 -5,-0.1 -0.500 25.2-145.4 -63.7 122.2 55.8 -8.1 31.2 69 69 B L G > S+ 0 0 49 -2,-0.3 3,-0.8 1,-0.3 -1,-0.2 0.484 94.0 71.5 -74.2 -4.7 53.7 -7.3 28.1 70 70 B D G 3 S+ 0 0 138 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.642 93.4 58.2 -78.9 -16.5 52.5 -10.9 27.8 71 71 B T G < S+ 0 0 36 -3,-1.7 -39,-2.5 -40,-0.1 2,-0.3 0.316 104.3 66.4 -88.6 9.1 50.4 -10.1 30.9 72 72 B V E < -c 32 0A 13 -3,-0.8 2,-0.3 -41,-0.2 -39,-0.2 -0.979 53.4-177.3-139.9 133.5 48.7 -7.3 29.0 73 73 B V E -c 33 0A 27 -41,-2.0 -39,-3.4 -2,-0.3 2,-0.4 -0.969 13.5-151.4-129.6 153.1 46.3 -6.9 26.0 74 74 B I E +c 34 0A 15 -2,-0.3 -39,-0.2 -41,-0.2 -41,-0.0 -0.987 16.7 172.9-129.4 123.6 44.9 -3.7 24.5 75 75 B E E -c 35 0A 22 -41,-3.2 -39,-2.7 -2,-0.4 2,-0.2 -0.952 26.3-120.1-128.8 150.7 41.5 -3.3 22.7 76 76 B P E -c 36 0A 25 0, 0.0 2,-0.4 0, 0.0 -39,-0.2 -0.614 17.6-164.4 -88.8 148.6 39.6 -0.2 21.4 77 77 B L E - 0 0 0 -41,-2.8 -38,-2.3 -2,-0.2 -39,-0.2 -0.992 11.0-146.6-127.7 126.1 36.2 1.0 22.4 78 78 B A E -c 39 0A 17 -2,-0.4 2,-0.3 -40,-0.2 -40,-0.2 -0.296 31.8 -94.9 -73.2 167.4 34.2 3.4 20.3 79 79 B D + 0 0 21 -40,-0.6 -1,-0.1 -42,-0.1 3,-0.1 -0.712 37.1 174.6 -84.0 140.2 31.9 6.0 22.0 80 80 B Y > + 0 0 58 -2,-0.3 3,-0.9 1,-0.1 7,-0.2 -0.514 10.7 161.7-141.4 65.7 28.1 5.2 22.3 81 81 B F T 3 S+ 0 0 57 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.752 85.0 29.9 -52.7 -31.4 26.8 8.2 24.3 82 82 B Y T 3 S+ 0 0 56 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.297 119.0 53.2-115.8 2.1 23.2 7.3 23.2 83 83 B Q X> + 0 0 31 -3,-0.9 3,-1.7 1,-0.1 4,-0.9 -0.520 57.1 169.9-144.0 62.7 23.4 3.5 22.8 84 84 B E H 3> S+ 0 0 121 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.667 75.4 61.1 -50.6 -26.9 24.8 2.2 26.1 85 85 B Q H 3> S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.794 97.7 56.1 -74.9 -33.1 24.0 -1.4 25.0 86 86 B K H <> S+ 0 0 66 -3,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.797 109.8 48.5 -65.8 -25.7 26.3 -1.2 22.0 87 87 B W H X S+ 0 0 38 -4,-0.9 4,-2.1 -7,-0.2 -2,-0.2 0.897 108.8 50.8 -80.5 -46.7 29.1 -0.3 24.4 88 88 B Q H X S+ 0 0 19 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.923 116.0 42.6 -56.1 -48.0 28.3 -3.1 26.9 89 89 B D H X S+ 0 0 78 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.912 110.3 54.8 -64.4 -47.3 28.4 -5.7 24.1 90 90 B E H X S+ 0 0 41 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.857 110.9 47.9 -56.9 -37.3 31.5 -4.2 22.4 91 91 B L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 3,-0.5 0.943 110.2 50.5 -64.3 -52.6 33.3 -4.5 25.8 92 92 B R H X S+ 0 0 50 -4,-2.2 4,-2.4 1,-0.3 -2,-0.2 0.892 108.5 53.3 -52.7 -42.5 32.1 -8.1 26.2 93 93 B K H < S+ 0 0 169 -4,-3.0 4,-0.5 1,-0.2 -1,-0.3 0.827 110.0 49.1 -62.9 -33.0 33.4 -8.8 22.7 94 94 B N H >< S+ 0 0 15 -4,-1.1 3,-0.5 -3,-0.5 4,-0.4 0.926 112.4 46.1 -68.7 -47.8 36.7 -7.4 23.8 95 95 B V H >X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 3,-0.9 0.877 114.4 46.1 -65.1 -38.2 36.9 -9.4 27.0 96 96 B Y T 3< S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.437 94.7 73.3 -94.7 -1.8 35.9 -12.8 25.4 97 97 B K T <4 S+ 0 0 120 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.729 120.4 18.5 -67.0 -22.6 38.3 -12.4 22.4 98 98 B H T <4 S+ 0 0 43 -3,-0.9 2,-0.3 -4,-0.4 -2,-0.2 0.767 114.4 69.1-121.3 -48.9 40.9 -13.1 25.2 99 99 B A S < S+ 0 0 1 -4,-3.1 2,-0.3 -5,-0.1 3,-0.1 -0.615 70.0 179.6 -72.9 139.7 39.2 -14.8 28.2 100 100 B K - 0 0 140 -2,-0.3 -3,-0.1 1,-0.1 -4,-0.0 -0.999 38.6 -5.3-152.2 148.1 38.0 -18.3 27.2 101 101 B N S S- 0 0 149 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.847 127.4 -19.3 34.5 74.3 36.3 -21.4 28.5 102 102 B N S S+ 0 0 153 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.864 82.4 160.6 74.2 42.3 35.7 -20.8 32.3 103 103 B N - 0 0 55 -101,-0.0 2,-0.5 -100,-0.0 -1,-0.2 -0.748 43.7-120.6 -79.5 138.2 38.2 -18.0 33.1 104 104 B S - 0 0 53 -2,-0.4 -100,-1.8 -103,-0.1 -101,-1.1 -0.743 36.0-160.0 -79.0 124.9 37.4 -16.1 36.3 105 105 B I E -b 4 0A 13 -2,-0.5 21,-2.2 19,-0.3 2,-0.3 -0.938 14.3-176.9-120.1 125.4 37.0 -12.4 35.3 106 106 B A E -bd 5 126A 0 -102,-2.1 -100,-2.0 -2,-0.4 2,-0.4 -0.913 18.2-142.2-114.8 147.8 37.2 -9.2 37.4 107 107 B I E -bd 6 127A 4 19,-2.6 21,-2.4 -2,-0.3 2,-0.6 -0.935 13.2-156.9-103.3 132.6 36.6 -5.5 36.4 108 108 B V + 0 0 2 -102,-2.7 -100,-0.3 -2,-0.4 2,-0.2 -0.746 33.5 140.3-117.6 83.4 39.0 -3.1 38.1 109 109 B G - 0 0 12 -2,-0.6 21,-2.0 19,-0.4 2,-0.3 -0.590 58.3 -66.6-114.8 177.3 37.4 0.4 38.2 110 110 B H B -e 130 0B 75 3,-0.2 21,-0.2 19,-0.2 19,-0.1 -0.492 34.1-138.0 -70.9 127.9 37.2 3.4 40.6 111 111 B I S S+ 0 0 99 19,-1.8 2,-0.5 -2,-0.3 -1,-0.1 0.576 93.6 67.3 -58.5 -6.8 35.2 2.7 43.8 112 112 B K S S- 0 0 123 18,-0.4 -2,-0.1 1,-0.3 -1,-0.1 -0.969 112.0 -9.4-127.7 110.5 33.8 6.2 43.2 113 113 B D S S+ 0 0 151 -2,-0.5 -1,-0.3 1,-0.1 -3,-0.2 0.944 131.4 39.5 62.7 102.0 31.6 7.0 40.1 114 114 B S S > S+ 0 0 34 -3,-0.1 4,-1.0 -5,-0.1 5,-0.1 0.201 91.2 94.2 103.1 -5.4 31.5 4.1 37.6 115 115 B S H > S+ 0 0 25 2,-0.2 4,-1.7 3,-0.1 5,-0.2 0.894 87.2 45.8 -66.9 -51.6 31.4 1.6 40.6 116 116 B S H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.930 111.9 51.2 -56.4 -51.9 27.5 1.6 40.3 117 117 B Y H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.842 111.1 45.0 -60.6 -42.4 27.5 1.2 36.5 118 118 B Y H X S+ 0 0 30 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.877 110.3 54.0 -73.7 -41.4 29.9 -1.8 36.3 119 119 B I H < S+ 0 0 103 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.913 116.5 39.2 -53.5 -48.3 28.2 -3.8 39.1 120 120 B R H < S+ 0 0 166 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.935 120.4 41.3 -70.3 -50.2 24.8 -3.5 37.4 121 121 B S H < S+ 0 0 20 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.755 122.8 36.0 -77.0 -27.0 25.8 -4.0 33.8 122 122 B F >< + 0 0 3 -4,-2.0 3,-1.2 -5,-0.2 -1,-0.3 -0.587 61.3 151.6-125.8 67.4 28.3 -6.8 34.2 123 123 B P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.881 70.3 68.7 -67.9 -32.6 27.0 -9.0 37.1 124 124 B E T 3 S+ 0 0 90 -3,-0.2 2,-0.3 2,-0.0 -19,-0.3 0.690 97.3 63.7 -54.0 -22.6 28.8 -12.0 35.5 125 125 B W S < S- 0 0 15 -3,-1.2 -19,-0.2 -7,-0.2 -3,-0.1 -0.804 83.4-123.5-109.1 148.8 32.2 -10.4 36.5 126 126 B D E -d 106 0A 91 -21,-2.2 -19,-2.6 -2,-0.3 2,-0.4 -0.278 25.8-121.5 -80.2 170.7 33.6 -9.6 39.9 127 127 B Y E -d 107 0A 59 -21,-0.2 2,-0.5 -19,-0.1 -19,-0.2 -0.931 17.1-168.4-118.8 140.3 34.6 -6.2 41.0 128 128 B I - 0 0 21 -21,-2.4 -19,-0.4 -2,-0.4 2,-0.3 -0.960 22.4-145.2-122.2 109.9 38.0 -4.9 42.3 129 129 B G + 0 0 34 -2,-0.5 2,-0.4 -21,-0.1 -19,-0.2 -0.568 23.7 178.1 -74.8 130.8 37.6 -1.4 43.7 130 130 B V B +e 110 0B 7 -21,-2.0 -19,-1.8 -2,-0.3 -18,-0.4 -0.988 17.4 120.8-127.5 145.9 40.5 0.9 43.3 131 131 B D - 0 0 55 -2,-0.4 2,-0.2 -21,-0.2 -2,-0.0 -0.210 25.3-164.8 169.1 140.7 41.4 4.4 44.0 132 132 B N > - 0 0 81 -2,-0.1 3,-0.6 -115,-0.1 -2,-0.0 -0.493 41.0 -85.5-118.1 174.7 44.1 6.2 45.9 133 133 B Y T 3 S+ 0 0 220 1,-0.2 -1,-0.0 -2,-0.2 0, 0.0 0.654 91.4 96.9 -49.3 -25.3 44.8 9.6 47.2 134 134 B K T 3 - 0 0 157 1,-0.1 -1,-0.2 -117,-0.0 -117,-0.0 0.467 60.1-154.5 -71.7 -28.3 46.2 11.2 44.1 135 135 B N < - 0 0 149 -3,-0.6 2,-0.6 1,-0.2 -1,-0.1 0.914 15.4-165.3 61.3 48.4 43.7 13.2 42.0 136 136 B F - 0 0 61 1,-0.1 2,-0.9 4,-0.0 -1,-0.2 -0.524 10.5-148.1 -68.2 110.4 45.5 12.9 38.6 137 137 B N > - 0 0 68 -2,-0.6 4,-1.6 1,-0.2 5,-0.1 -0.716 17.5-171.5 -94.1 107.6 43.8 15.6 36.6 138 138 B A H > S+ 0 0 36 -2,-0.9 4,-2.0 2,-0.2 3,-0.2 0.927 89.8 46.2 -54.9 -50.7 43.6 14.7 32.9 139 139 B T H > S+ 0 0 60 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 109.1 54.7 -60.0 -51.8 42.3 18.2 31.9 140 140 B E H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.803 109.1 49.6 -49.1 -39.5 44.9 20.0 34.0 141 141 B F H X S+ 0 0 3 -4,-1.6 4,-2.3 -3,-0.2 10,-0.2 0.918 111.0 47.0 -69.4 -47.8 47.6 18.0 32.2 142 142 B R H X S+ 0 0 17 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.882 108.7 55.9 -63.7 -40.3 46.3 18.8 28.6 143 143 B Q H X S+ 0 0 49 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.915 111.8 41.6 -57.1 -48.3 45.9 22.5 29.5 144 144 B K H ><>S+ 0 0 85 -4,-1.4 5,-2.5 -5,-0.2 3,-0.8 0.888 113.9 54.8 -64.4 -38.3 49.6 22.8 30.5 145 145 B F H ><5S+ 0 0 1 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.894 104.2 53.1 -62.5 -38.9 50.5 20.6 27.5 146 146 B Y H 3<5S+ 0 0 8 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.636 107.2 54.5 -71.7 -14.2 48.6 23.0 25.2 147 147 B N T <<5S- 0 0 122 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.267 129.6 -96.6 -96.6 7.1 50.8 25.7 26.7 148 148 B G T < 5S+ 0 0 38 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.558 86.3 118.7 96.5 9.8 54.0 23.8 25.9 149 149 B I < - 0 0 101 -5,-2.5 2,-0.7 -8,-0.1 -1,-0.2 -0.918 48.4-156.5-117.1 125.3 54.6 22.0 29.2 150 150 B I - 0 0 21 -2,-0.5 2,-0.8 -3,-0.1 -8,-0.1 -0.915 26.3-132.4 -92.3 114.5 54.8 18.3 29.8 151 151 B S >> - 0 0 7 -2,-0.7 3,-1.8 -10,-0.2 4,-0.7 -0.564 15.3-157.0 -63.2 104.8 54.0 17.8 33.6 152 152 B K G >4 S+ 0 0 140 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.833 85.3 64.0 -57.7 -37.1 56.7 15.4 34.7 153 153 B Q G 34 S+ 0 0 112 1,-0.3 -1,-0.3 -138,-0.0 -137,-0.1 0.658 102.0 52.7 -67.1 -15.2 54.8 14.0 37.8 154 154 B Y G <4 S+ 0 0 4 -3,-1.8 -138,-2.0 -139,-0.1 2,-0.3 0.725 92.0 94.6 -82.0 -25.2 52.3 12.6 35.3 155 155 B M << - 0 0 1 -3,-1.4 -140,-0.1 -4,-0.7 8,-0.0 -0.536 62.5-154.2 -80.0 126.1 55.0 10.8 33.3 156 156 B C S S+ 0 0 14 -2,-0.3 2,-0.4 -142,-0.2 -1,-0.2 0.856 87.4 60.2 -55.3 -36.6 55.8 7.2 33.9 157 157 B S - 0 0 3 5,-0.2 -2,-0.1 1,-0.1 8,-0.1 -0.832 64.7-161.8 -99.9 130.5 59.2 7.9 32.5 158 158 B N S S+ 0 0 155 -2,-0.4 -1,-0.1 -5,-0.0 -2,-0.0 0.499 77.6 81.7 -77.5 -6.5 61.6 10.6 34.1 159 159 B D S > S- 0 0 46 1,-0.1 3,-2.1 3,-0.0 7,-0.3 -0.883 70.8-151.6-109.4 114.5 63.5 10.5 30.8 160 160 B P T 3 S+ 0 0 56 0, 0.0 9,-0.2 0, 0.0 -1,-0.1 0.605 96.1 66.6 -60.0 -9.2 62.2 12.6 27.8 161 161 B K T 3 S+ 0 0 145 8,-0.1 2,-0.3 5,-0.1 -3,-0.0 0.543 101.5 57.2 -85.3 -9.7 63.8 10.1 25.4 162 162 B L S <> S- 0 0 88 -3,-2.1 4,-1.9 4,-0.1 3,-0.3 -0.857 93.7 -17.6-128.8 155.8 61.5 7.3 26.6 163 163 B G H > S- 0 0 10 -2,-0.3 4,-2.3 2,-0.2 3,-0.4 0.033 111.7 -22.5 61.6-156.6 57.8 6.4 26.8 164 164 B T H > S+ 0 0 0 -107,-0.4 4,-2.9 1,-0.2 5,-0.3 0.869 135.9 63.1 -55.0 -39.4 54.8 8.7 26.7 165 165 B Y H > S+ 0 0 26 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.909 106.3 42.3 -52.7 -49.9 57.2 11.4 27.7 166 166 B N H X S+ 0 0 52 -4,-1.9 4,-2.3 -3,-0.4 3,-0.4 0.964 112.7 53.8 -60.2 -54.1 59.2 11.0 24.4 167 167 B F H X S+ 0 0 31 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.881 110.6 46.4 -45.5 -50.0 56.0 10.6 22.4 168 168 B L H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.800 108.7 56.1 -66.9 -32.5 54.6 13.9 23.7 169 169 B T H < S+ 0 0 54 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.934 114.6 38.7 -63.8 -44.3 58.0 15.7 23.1 170 170 B K H >< S+ 0 0 127 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.855 109.9 60.8 -75.3 -35.7 57.9 14.7 19.5 171 171 B F H >< S+ 0 0 10 -4,-2.4 3,-2.0 -5,-0.3 6,-0.5 0.855 92.9 66.8 -61.5 -35.2 54.1 15.3 19.2 172 172 B M T 3< S+ 0 0 39 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.606 96.0 56.4 -60.6 -14.8 54.7 19.0 20.1 173 173 B D T < S+ 0 0 139 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.396 91.9 97.1 -94.9 -4.1 56.6 19.5 16.8 174 174 B T S <> S- 0 0 58 -3,-2.0 4,-1.3 -4,-0.2 -3,-0.0 -0.442 79.0-125.2 -87.0 163.1 53.6 18.3 14.7 175 175 B Q H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.866 110.1 60.8 -69.6 -42.5 50.9 20.2 12.8 176 176 B V H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.926 103.7 51.8 -51.2 -46.9 48.1 18.3 14.6 177 177 B Y H > S+ 0 0 12 -6,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.917 108.5 50.2 -52.7 -51.8 49.6 19.7 17.9 178 178 B Q H X S+ 0 0 98 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.775 110.7 49.9 -54.2 -36.1 49.4 23.2 16.4 179 179 B D H X S+ 0 0 79 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.846 109.6 51.1 -74.9 -37.4 45.7 22.6 15.4 180 180 B L H X S+ 0 0 4 -4,-2.7 4,-3.1 -5,-0.2 -2,-0.2 0.936 110.0 49.1 -61.4 -49.0 44.9 21.4 18.9 181 181 B V H X S+ 0 0 22 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.921 111.0 50.7 -55.1 -46.4 46.5 24.5 20.5 182 182 B A H X S+ 0 0 38 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.917 111.7 46.9 -59.8 -45.5 44.5 26.7 18.1 183 183 B E H X S+ 0 0 12 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.906 110.8 53.9 -61.0 -44.0 41.2 24.9 19.0 184 184 B N H X S+ 0 0 2 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.890 107.9 48.4 -56.4 -44.1 42.2 25.2 22.6 185 185 B N H X S+ 0 0 91 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.909 110.9 51.6 -65.0 -43.7 42.7 29.0 22.3 186 186 B Y H X S+ 0 0 59 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.924 112.1 46.5 -54.2 -48.3 39.3 29.3 20.6 187 187 B V H X S+ 0 0 6 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.885 110.3 51.5 -66.7 -42.7 37.6 27.4 23.4 188 188 B I H X S+ 0 0 84 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.901 115.1 43.2 -59.2 -42.3 39.3 29.3 26.2 189 189 B E H X S+ 0 0 88 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.923 110.9 54.4 -71.9 -43.0 38.2 32.6 24.6 190 190 B Y H X S+ 0 0 20 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.921 112.4 44.1 -53.3 -48.7 34.7 31.3 23.8 191 191 B K H >X S+ 0 0 101 -4,-2.2 4,-0.6 1,-0.2 3,-0.5 0.776 105.2 63.0 -67.4 -34.3 34.2 30.4 27.4 192 192 B R H >< S+ 0 0 133 -4,-1.5 3,-0.9 1,-0.2 4,-0.3 0.887 97.8 56.4 -57.0 -45.8 35.7 33.7 28.7 193 193 B L H 3< S+ 0 0 47 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.811 110.6 46.2 -53.9 -29.2 32.8 35.6 27.0 194 194 B W H << S+ 0 0 23 -3,-0.5 3,-0.3 -4,-0.5 -1,-0.2 0.460 82.4 91.7-100.7 -6.7 30.3 33.5 29.0 195 195 B L S << S+ 0 0 148 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.1 0.672 87.5 54.3 -59.9 -23.8 31.9 33.7 32.5 196 196 B K S S+ 0 0 113 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.819 79.4 107.8 -84.1 -40.4 29.8 36.8 33.3 197 197 B A S S- 0 0 13 -3,-0.3 339,-0.1 -4,-0.2 338,-0.0 -0.026 77.3-123.3 -35.0 137.4 26.3 35.3 32.4 198 198 B P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.745 94.3 28.1 -65.9 -25.1 24.2 34.7 35.6 199 199 B F S S- 0 0 126 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.980 95.0 -97.9-134.0 146.2 23.7 31.0 34.7 200 200 B K - 0 0 172 -2,-0.3 2,-0.2 1,-0.1 381,-0.1 -0.455 51.2-118.3 -55.9 129.0 25.8 28.6 32.8 201 201 B P - 0 0 25 0, 0.0 2,-0.6 0, 0.0 83,-0.5 -0.485 14.9-153.3 -74.9 139.0 24.4 28.4 29.2 202 202 B N E -f 284 0C 15 342,-0.4 2,-0.3 -2,-0.2 342,-0.2 -0.989 26.6-145.6-100.8 116.1 23.0 25.4 27.4 203 203 B F E -f 285 0C 19 81,-2.9 83,-3.4 -2,-0.6 2,-0.5 -0.622 5.7-147.5 -82.5 141.8 23.6 26.1 23.7 204 204 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