==== 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 PHOSPHOTRANSFERASE 19-MAY-98 1BE4 . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.E.LADNER,N.G.ABDULAEV,D.L.KAKUEV,G.N.KARASCHUK,M.TORDOVA, . 453 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 69.1 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 . 62 13.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 2 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 . 30 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 2 4 3 3 2 3 0 6 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 . 2 0 4 0 0 2 2 1 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 2 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 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 A > 0 0 105 0, 0.0 3,-2.4 0, 0.0 80,-0.7 0.000 360.0 360.0 360.0 14.6 20.8 64.1 27.9 2 3 A N T 3 + 0 0 41 1,-0.3 78,-0.5 78,-0.2 80,-0.0 0.378 360.0 77.9 -70.4 8.0 23.4 66.4 28.9 3 4 A S T 3 + 0 0 80 76,-0.2 -1,-0.3 75,-0.1 77,-0.1 0.421 59.2 127.1-101.8 -14.2 24.8 63.6 30.8 4 5 A E < - 0 0 43 -3,-2.4 75,-3.1 74,-0.1 78,-0.3 -0.144 45.4-147.5 -51.4 145.4 26.4 61.6 28.1 5 6 A R E -A 78 0A 61 73,-0.2 2,-0.3 77,-0.1 78,-0.2 -0.728 16.5-174.5-116.9 164.3 30.0 60.7 28.7 6 7 A T E -A 77 0A 1 71,-1.0 71,-1.1 -2,-0.2 2,-0.6 -0.929 22.2-126.6-148.8 157.2 33.2 60.1 26.7 7 8 A F E -A 76 0A 0 -2,-0.3 112,-2.8 69,-0.2 2,-0.5 -0.991 24.9-171.6-123.8 122.8 36.6 59.0 27.4 8 9 A I E -AB 75 118A 0 67,-4.5 67,-4.7 -2,-0.6 2,-0.5 -0.946 0.8-170.9-115.0 131.1 39.5 61.0 26.4 9 10 A A E -AB 74 117A 2 108,-4.3 108,-4.2 -2,-0.5 2,-1.0 -0.972 19.7-144.7-137.4 133.9 43.0 60.2 26.4 10 11 A I E -AB 73 116A 0 63,-4.6 63,-1.6 -2,-0.5 106,-0.3 -0.778 29.7-135.5 -89.7 110.8 46.1 62.0 25.9 11 12 A K > - 0 0 16 104,-2.4 4,-1.8 -2,-1.0 3,-0.4 -0.022 26.0-103.3 -61.9 156.5 48.5 59.7 24.3 12 13 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.882 120.4 53.1 -60.5 -34.7 52.1 59.6 25.6 13 14 A D H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 287,-0.1 0.881 105.6 52.7 -65.0 -38.4 53.4 61.7 22.6 14 15 A G H 4>S+ 0 0 0 -3,-0.4 5,-1.3 101,-0.3 4,-0.4 0.874 112.5 46.3 -68.6 -34.1 50.8 64.6 23.1 15 16 A V H ><5S+ 0 0 21 -4,-1.8 3,-2.0 56,-0.3 5,-0.2 0.952 113.1 48.4 -68.5 -33.1 52.0 64.7 26.7 16 17 A Q H 3<5S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.763 107.5 59.1 -75.9 -19.3 55.5 64.6 25.4 17 18 A R T 3<5S- 0 0 48 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.532 112.3-119.2 -87.7 -1.3 54.4 67.3 23.1 18 19 A G T < 5S+ 0 0 64 -3,-2.0 -3,-0.2 -4,-0.4 -2,-0.1 0.994 75.8 129.2 62.6 53.6 53.3 69.7 25.9 19 20 A L >< + 0 0 15 -5,-1.3 4,-1.3 96,-0.1 5,-0.2 0.173 31.2 98.5-123.4 16.3 49.9 69.5 24.5 20 21 A M H >> S+ 0 0 73 -6,-0.3 4,-2.6 -5,-0.2 3,-0.7 0.958 84.6 37.5 -74.0 -56.1 48.0 68.8 27.5 21 22 A G H 3> S+ 0 0 54 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.770 116.0 63.1 -61.2 -27.7 46.5 72.2 28.8 22 23 A E H 3> S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.955 110.3 30.7 -64.4 -39.6 46.1 72.8 25.2 23 24 A I H S+ 0 0 0 -4,-1.1 5,-1.2 -3,-0.2 4,-1.1 0.986 113.4 43.4 -77.6 -63.4 37.3 70.8 25.9 28 29 A E H <5S+ 0 0 121 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.854 115.4 49.8 -41.9 -54.5 36.6 73.2 28.7 29 30 A Q H <5S+ 0 0 43 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.866 103.1 61.0 -64.0 -30.8 36.1 76.1 26.2 30 31 A K H <5S- 0 0 8 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.853 123.7-103.6 -68.4 -23.5 33.7 73.9 24.1 31 32 A G T <5S+ 0 0 9 -4,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.394 70.1 145.4 126.1 -23.2 31.5 73.8 27.2 32 33 A F < - 0 0 7 -5,-1.2 2,-0.3 1,-0.1 -1,-0.2 -0.198 44.5-128.2 -58.5 135.1 32.2 70.2 28.5 33 34 A R E -C 78 0A 25 45,-1.3 45,-4.3 110,-0.0 2,-0.9 -0.553 20.5-130.3 -81.9 142.4 32.2 69.2 32.2 34 35 A L E +C 77 0A 40 -2,-0.3 43,-0.3 43,-0.2 3,-0.1 -0.825 28.6 174.0 -95.4 118.6 35.2 67.3 33.4 35 36 A V E - 0 0 7 41,-3.0 104,-1.6 -2,-0.9 2,-0.3 0.754 63.0 -2.3 -89.6 -38.3 34.3 64.3 35.4 36 37 A A E -C 76 0A 4 40,-2.3 40,-3.1 102,-0.2 -1,-0.3 -0.961 58.3-176.2-164.7 142.0 37.5 62.6 35.9 37 38 A M E +C 75 0A 97 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.980 5.9 167.7-150.4 134.8 41.1 63.1 35.1 38 39 A K E -C 74 0A 55 36,-2.2 36,-5.3 -2,-0.3 2,-0.5 -0.993 22.8-145.7-156.5 147.2 44.4 61.3 35.6 39 40 A F E +C 73 0A 121 -2,-0.3 2,-0.4 34,-0.3 34,-0.2 -0.904 46.9 113.2-105.2 123.8 47.9 61.2 34.6 40 41 A M E -C 72 0A 36 32,-4.2 32,-3.1 -2,-0.5 2,-0.7 -0.999 64.2 -75.4-177.6 179.1 49.5 58.0 34.3 41 42 A R E -C 71 0A 136 -2,-0.4 2,-0.3 30,-0.2 27,-0.1 -0.766 44.7-134.1 -90.3 113.6 51.2 55.1 32.9 42 43 A A - 0 0 1 -2,-0.7 28,-0.1 28,-0.5 90,-0.0 -0.488 25.9-126.4 -67.3 128.1 48.7 52.8 31.1 43 44 A S > - 0 0 53 -2,-0.3 4,-3.3 1,-0.1 5,-0.3 -0.259 15.8-116.4 -68.4 156.2 49.4 49.0 32.2 44 45 A E H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.974 115.5 47.8 -57.9 -44.5 49.9 46.3 29.7 45 46 A D H > S+ 0 0 128 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.959 113.6 46.4 -57.8 -51.8 46.7 44.5 30.9 46 47 A L H > S+ 0 0 30 1,-0.2 4,-5.8 2,-0.2 5,-0.3 0.997 115.3 47.2 -56.4 -50.1 44.7 47.6 30.8 47 48 A L H X S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 -1,-0.2 0.829 113.0 47.7 -57.0 -29.7 46.0 48.5 27.4 48 49 A K H X S+ 0 0 98 -4,-2.0 4,-1.0 -5,-0.3 -1,-0.2 0.928 115.0 46.1 -77.6 -45.1 45.5 45.0 26.0 49 50 A E H >< S+ 0 0 90 -4,-3.4 3,-1.1 -5,-0.4 -2,-0.2 0.951 113.1 51.5 -61.2 -45.8 42.2 45.0 27.4 50 51 A H H 3< S+ 0 0 16 -4,-5.8 3,-0.4 -5,-0.4 -1,-0.2 0.896 114.8 39.0 -59.7 -46.2 41.7 48.4 26.1 51 52 A Y H >< S+ 0 0 20 -4,-2.6 3,-2.8 -5,-0.3 -1,-0.2 0.468 80.2 126.6 -87.5 8.3 42.9 47.7 22.5 52 53 A I G X< + 0 0 73 -3,-1.1 3,-2.1 -4,-1.0 -1,-0.2 0.693 57.7 67.1 -32.6 -49.5 41.1 44.3 22.5 53 54 A D G 3 S+ 0 0 145 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.619 109.0 38.4 -54.7 -14.5 39.1 44.8 19.3 54 55 A L G < S+ 0 0 40 -3,-2.8 6,-0.3 1,-0.1 -1,-0.3 0.085 70.7 132.9-123.2 21.4 42.1 44.8 17.3 55 56 A K S < S+ 0 0 106 -3,-2.1 6,-0.1 1,-0.2 -2,-0.1 0.533 80.1 41.0 -53.0 -9.0 44.3 42.1 18.9 56 57 A D S S+ 0 0 142 -4,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.873 85.8 96.6-106.2 -53.6 45.0 40.7 15.6 57 58 A R S > S- 0 0 155 2,-0.1 3,-0.6 3,-0.1 -3,-0.1 0.256 82.6-106.5 -34.5 156.6 45.6 43.4 13.2 58 59 A P T 3 S+ 0 0 123 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.962 109.6 59.5 -45.9 -80.5 49.2 44.3 12.6 59 60 A F T > S+ 0 0 114 1,-0.2 3,-1.3 2,-0.1 -2,-0.1 0.542 85.0 115.2 -30.1 -25.7 49.8 47.7 14.3 60 61 A F G X> S+ 0 0 20 -3,-0.6 3,-5.6 -6,-0.3 4,-1.4 0.795 74.4 21.8 -16.9-108.6 48.8 45.9 17.5 61 62 A A G 34 S+ 0 0 55 -3,-0.4 4,-0.4 1,-0.3 -1,-0.3 0.545 114.9 70.3 -60.5 5.5 51.4 45.5 20.1 62 63 A G G <> S+ 0 0 43 -3,-1.3 4,-0.9 -4,-0.3 -1,-0.3 0.426 102.9 48.0 -89.8 -4.8 53.1 48.4 18.5 63 64 A L H <> S+ 0 0 18 -3,-5.6 4,-3.1 2,-0.2 5,-0.3 0.871 108.8 48.0 -88.9 -57.8 50.2 50.0 19.9 64 65 A V H X S+ 0 0 2 -4,-1.4 4,-0.6 1,-0.3 -2,-0.2 0.760 113.1 56.9 -54.6 -25.1 50.5 48.5 23.2 65 66 A K H >> S+ 0 0 108 -5,-0.4 3,-1.1 -4,-0.4 4,-0.7 0.983 110.4 32.7 -66.8 -65.2 53.9 49.4 23.0 66 67 A Y H >< S+ 0 0 11 -4,-0.9 3,-4.2 1,-0.3 -2,-0.2 0.999 114.5 64.9 -57.3 -58.9 54.0 53.0 22.5 67 68 A M H 3< S+ 0 0 5 -4,-3.1 -25,-0.4 1,-0.3 -1,-0.3 0.620 107.8 39.7 -41.4 -19.4 50.9 53.1 24.5 68 69 A H H << S+ 0 0 48 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.444 93.8 84.6-117.0 9.2 52.9 51.9 27.5 69 70 A S S << S+ 0 0 47 -3,-4.2 -1,-0.2 -4,-0.7 -2,-0.1 0.164 99.7 4.7 -86.2 9.5 56.1 53.9 27.0 70 71 A G S S- 0 0 4 -3,-0.3 -28,-0.5 -4,-0.1 2,-0.1 -0.934 90.5 -65.9-172.1-175.7 55.1 57.1 28.6 71 72 A P E - C 0 41A 29 0, 0.0 2,-0.3 0, 0.0 -56,-0.3 -0.389 38.7-162.9 -94.9 163.5 52.3 58.7 30.5 72 73 A V E - C 0 40A 0 -32,-3.1 -32,-4.2 -2,-0.1 2,-0.7 -0.917 21.1-123.4-126.7 167.9 49.0 59.4 29.2 73 74 A V E -AC 10 39A 7 -63,-1.6 -63,-4.6 -2,-0.3 2,-0.8 -0.971 27.9-158.3-116.7 115.8 46.3 61.8 30.5 74 75 A A E +AC 9 38A 0 -36,-5.3 -36,-2.2 -2,-0.7 2,-0.3 -0.826 19.0 176.1 -93.5 118.7 43.3 59.8 31.0 75 76 A M E -AC 8 37A 0 -67,-4.7 -67,-4.5 -2,-0.8 2,-0.4 -0.918 30.9-158.3-139.6 157.8 40.0 61.7 31.0 76 77 A V E -AC 7 36A 0 -40,-3.1 -41,-3.0 -2,-0.3 -40,-2.3 -0.991 20.4-173.7-128.7 111.6 36.2 61.7 31.2 77 78 A W E -AC 6 34A 5 -71,-1.1 -71,-1.0 -2,-0.4 2,-0.3 -0.925 10.6-143.3-111.7 129.9 34.4 64.6 29.9 78 79 A E E +AC 5 33A 24 -45,-4.3 -45,-1.3 -2,-0.4 2,-0.2 -0.625 34.1 84.8-102.6 150.7 30.6 65.2 30.2 79 80 A G S > S- 0 0 0 -75,-3.1 3,-2.8 -2,-0.3 4,-0.3 -0.636 71.1 -39.2 147.4 160.6 27.9 66.6 28.1 80 81 A L T 3 S- 0 0 37 -78,-0.5 -78,-0.2 1,-0.3 5,-0.1 -0.101 124.3 -11.6 -48.8 113.8 25.4 66.6 25.6 81 82 A N T 3> S+ 0 0 80 -80,-0.7 4,-2.2 -2,-0.3 5,-0.3 0.779 82.4 153.6 67.5 21.6 26.7 64.6 22.8 82 83 A V H <>> + 0 0 0 -3,-2.8 4,-3.4 -78,-0.3 5,-0.5 0.880 68.4 58.7 -45.5 -45.6 30.3 64.4 24.2 83 84 A V H >5S+ 0 0 6 -4,-0.3 4,-1.5 -78,-0.2 -1,-0.2 0.957 113.3 30.3 -66.4 -53.9 30.9 61.3 22.4 84 85 A K H >5S+ 0 0 107 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.878 125.7 46.3 -62.8 -37.4 30.2 62.3 18.7 85 86 A T H X5S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.925 105.3 58.1 -70.1 -49.3 31.4 65.9 19.2 86 87 A G H X5S+ 0 0 1 -4,-3.4 4,-2.7 -5,-0.3 5,-0.3 0.962 109.6 51.4 -42.9 -42.7 34.5 64.9 21.1 87 88 A R H X S- 0 0 62 1,-0.2 3,-2.1 18,-0.1 4,-0.4 -0.759 89.4-136.2 -86.5 120.6 44.7 59.4 10.8 95 96 A P G > S+ 0 0 0 0, 0.0 3,-2.6 0, 0.0 -1,-0.2 0.810 93.4 70.4 -43.2 -33.7 46.0 63.0 11.3 96 97 A A G 3 S+ 0 0 25 1,-0.3 -3,-0.1 13,-0.2 9,-0.0 0.491 101.5 39.7 -68.9 -2.8 46.1 63.6 7.6 97 98 A D G < S+ 0 0 96 -3,-2.1 -1,-0.3 -5,-0.1 2,-0.1 0.334 92.1 111.6-125.7 -1.4 42.6 63.8 7.1 98 99 A S < - 0 0 6 -3,-2.6 -7,-0.1 -4,-0.4 -8,-0.0 -0.285 67.9-129.1 -66.8 149.0 42.2 65.6 10.2 99 100 A K > - 0 0 134 -2,-0.1 3,-2.6 142,-0.0 6,-0.5 -0.880 23.5 -92.6-111.1 150.1 41.2 69.1 9.5 100 101 A P T 3 S+ 0 0 18 0, 0.0 154,-0.2 0, 0.0 3,-0.1 -0.416 116.2 44.6 -64.5 120.1 42.7 72.5 10.6 101 102 A G T 3 S+ 0 0 6 1,-0.8 304,-0.3 152,-0.2 2,-0.2 -0.262 94.1 94.4 133.1 -30.9 40.7 73.3 13.8 102 103 A T S <> S- 0 0 6 -3,-2.6 4,-1.8 302,-0.2 -1,-0.8 -0.685 86.7-113.7 -86.5 155.4 40.8 69.8 15.2 103 104 A I H > S+ 0 0 1 -14,-1.1 4,-3.7 1,-0.3 -13,-0.2 0.859 119.2 39.3 -44.2 -46.2 43.5 68.8 17.7 104 105 A R H > S+ 0 0 7 -14,-2.0 4,-1.5 1,-0.3 -1,-0.3 0.820 112.8 53.4 -80.4 -34.6 44.9 66.4 15.2 105 106 A G H 4 S+ 0 0 6 -6,-0.5 -1,-0.3 -15,-0.4 -2,-0.2 0.791 119.0 38.0 -73.5 -20.4 44.5 68.6 12.4 106 107 A D H < S+ 0 0 23 -4,-1.8 -2,-0.2 -7,-0.2 -3,-0.2 0.963 128.5 23.3 -91.2 -52.2 46.4 71.2 14.3 107 108 A F H < S+ 0 0 8 -4,-3.7 2,-0.3 -5,-0.1 -3,-0.2 0.168 107.9 42.9-102.9 23.0 49.0 69.3 16.1 108 109 A C < - 0 0 0 -4,-1.5 6,-0.1 -13,-0.1 -10,-0.1 -0.976 42.8-161.5-159.4 163.7 50.0 66.0 14.7 109 110 A I + 0 0 8 4,-0.5 2,-0.4 -2,-0.3 -13,-0.2 0.616 63.3 47.8-119.2 -18.2 50.9 64.2 11.3 110 111 A Q B > -D 113 0B 37 3,-0.6 3,-3.0 191,-0.2 -1,-0.2 -0.987 69.5-123.0-144.3 136.9 50.8 60.4 11.3 111 112 A V T 3 S+ 0 0 58 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.712 107.7 57.9 -47.6 -40.4 48.5 57.9 12.4 112 113 A G T 3 S+ 0 0 16 1,-0.3 -1,-0.3 189,-0.1 2,-0.2 0.491 112.2 40.5 -76.0 -4.0 50.8 56.2 14.6 113 114 A R B < S+D 110 0B 31 -3,-3.0 -3,-0.6 188,-0.2 -4,-0.5 -0.704 72.4 146.3-141.1 72.0 51.6 59.3 16.7 114 115 A N - 0 0 4 -3,-0.4 2,-5.1 -2,-0.2 -10,-0.1 -0.161 49.6-132.4-122.4 36.8 48.1 60.9 17.0 115 116 A I + 0 0 0 -8,-0.1 -104,-2.4 -105,-0.1 2,-0.4 0.010 69.5 24.6 52.1 -28.5 48.1 62.5 20.4 116 117 A I E -B 10 0A 0 -2,-5.1 2,-0.4 -106,-0.3 -106,-0.2 -0.978 52.2-144.1-158.5 170.6 45.0 61.3 21.6 117 118 A H E -B 9 0A 29 -108,-4.2 -108,-4.3 -2,-0.4 2,-0.4 -0.990 10.8-174.0-138.2 141.6 42.2 59.0 21.9 118 119 A G E -B 8 0A 1 -2,-0.4 -110,-0.3 -110,-0.2 7,-0.0 -0.981 39.9 -97.7-130.2 148.6 38.4 59.4 22.4 119 120 A S - 0 0 0 -112,-2.8 -32,-0.1 -2,-0.4 3,-0.1 -0.140 30.3-150.9 -57.0 143.5 35.6 56.7 22.9 120 121 A D S S+ 0 0 96 1,-0.3 2,-0.3 -34,-0.0 -1,-0.1 0.409 75.2 16.1-102.7 6.8 34.0 56.3 19.5 121 122 A S S > S- 0 0 15 -38,-0.0 4,-5.2 0, 0.0 -1,-0.3 -0.915 77.7-114.6-165.3 159.7 30.6 55.3 20.9 122 123 A V H > S+ 0 0 64 -2,-0.3 4,-3.2 2,-0.2 5,-0.1 0.830 120.9 61.1 -69.5 -26.6 29.0 55.6 24.1 123 124 A E H > S+ 0 0 160 2,-0.2 4,-1.3 1,-0.1 3,-0.3 0.998 111.8 35.6 -55.6 -65.6 29.1 51.9 24.0 124 125 A S H >> S+ 0 0 28 1,-0.3 4,-4.0 2,-0.2 3,-0.8 0.946 117.0 59.7 -52.1 -47.5 32.9 52.1 23.8 125 126 A A H 3X S+ 0 0 0 -4,-5.2 4,-2.1 1,-0.3 5,-0.3 0.889 101.7 48.7 -45.0 -54.4 32.6 55.0 26.0 126 127 A E H 3X S+ 0 0 80 -4,-3.2 4,-0.8 -3,-0.3 -1,-0.3 0.881 116.0 43.1 -62.2 -33.4 31.0 53.2 28.7 127 128 A K H - 0 0 125 -2,-0.5 3,-0.5 1,-0.1 -3,-0.0 -0.168 37.4-118.6 -70.6 169.5 37.7 53.3 39.6 135 136 A P G > S+ 0 0 95 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.669 111.3 71.8 -88.4 -20.6 34.3 54.8 40.4 136 137 A E G 3 S+ 0 0 171 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.173 95.9 60.0 -74.2 7.1 35.5 56.7 43.3 137 138 A E G < S+ 0 0 50 -3,-0.5 2,-0.3 2,-0.1 -1,-0.2 0.270 74.2 95.8-121.4 1.2 37.2 58.9 40.6 138 139 A L S < S- 0 0 43 -3,-0.9 2,-0.5 -102,-0.1 -102,-0.2 -0.724 74.8-139.0 -87.5 134.8 34.3 60.1 38.6 139 140 A V - 0 0 81 -104,-1.6 2,-0.8 -2,-0.3 -2,-0.1 -0.915 6.7-147.3-108.3 137.0 33.6 63.5 40.2 140 141 A N + 0 0 154 -2,-0.5 2,-0.3 2,-0.0 -105,-0.0 -0.859 41.1 131.1-102.0 105.2 30.1 64.6 40.8 141 142 A Y - 0 0 103 -2,-0.8 2,-0.4 0, 0.0 -2,-0.1 -0.995 51.0-119.5-150.5 159.7 29.6 68.3 40.5 142 143 A K - 0 0 154 -2,-0.3 -2,-0.0 1,-0.1 3,-0.0 -0.682 35.8-119.4 -93.6 138.9 27.5 71.0 38.9 143 144 A S - 0 0 37 -2,-0.4 3,-0.5 1,-0.1 4,-0.2 -0.212 12.5-123.6 -69.6 167.8 29.1 73.5 36.5 144 145 A C S S+ 0 0 151 1,-0.2 3,-0.4 2,-0.1 4,-0.2 0.942 113.8 31.9 -66.3 -45.8 29.4 77.4 36.9 145 146 A A S > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.1 5,-0.3 -0.110 72.2 129.0-111.9 39.2 27.5 77.8 33.5 146 147 A Q H >> S+ 0 0 40 -3,-0.5 4,-3.6 2,-0.2 3,-0.6 0.985 83.8 44.7 -51.5 -44.3 25.3 74.8 33.3 147 148 A N H 34 S+ 0 0 102 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.833 111.1 51.6 -98.1 4.8 22.5 77.2 32.5 148 149 A W H 34 S+ 0 0 67 1,-0.2 -1,-0.3 -4,-0.2 271,-0.2 0.831 115.5 42.5 -89.3 -26.0 24.5 79.2 30.0 149 150 A I H << S+ 0 0 8 -4,-2.8 265,-0.6 -3,-0.6 2,-0.5 0.883 116.3 51.4 -86.0 -36.1 25.5 76.0 28.1 150 151 A Y < 0 0 18 -4,-3.6 -1,-0.2 -5,-0.3 265,-0.0 -0.875 360.0 360.0-118.2 139.9 22.1 74.4 28.3 151 152 A E 0 0 155 -2,-0.5 266,-0.1 -3,-0.1 -2,-0.1 -0.062 360.0 360.0 -57.8 360.0 18.5 75.3 27.4 152 !* 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 0.0 153 2 B A > 0 0 93 0, 0.0 3,-1.6 0, 0.0 80,-0.7 0.000 360.0 360.0 360.0 16.7 58.9 60.1 3.1 154 3 B N T 3 + 0 0 53 1,-0.3 78,-0.2 78,-0.2 76,-0.0 0.366 360.0 67.1 -75.5 -8.2 59.3 62.2 6.1 155 4 B S T 3 S+ 0 0 84 76,-0.1 -1,-0.3 75,-0.1 77,-0.1 0.017 72.6 134.0 -93.3 -0.5 62.0 64.2 4.3 156 5 B E < - 0 0 41 -3,-1.6 75,-3.6 74,-0.1 2,-0.4 -0.363 41.1-158.1 -55.1 143.8 59.3 65.5 2.0 157 6 B R E -E 230 0C 58 73,-0.2 2,-0.3 77,-0.1 73,-0.2 -0.984 15.1-173.0-134.6 140.2 59.6 69.2 1.5 158 7 B T E -E 229 0C 1 71,-3.2 71,-2.7 -2,-0.4 2,-0.6 -0.908 23.4-124.2-126.2 152.3 57.4 72.1 0.5 159 8 B F E -E 228 0C 0 -2,-0.3 112,-1.4 69,-0.2 2,-0.5 -0.854 26.4-176.9 -94.5 119.5 57.9 75.8 -0.3 160 9 B I E -F 270 0C 0 67,-1.9 2,-0.5 -2,-0.6 67,-0.3 -0.961 4.6-169.7-122.1 117.2 55.7 78.3 1.8 161 10 B A E -F 269 0C 3 108,-1.9 108,-1.9 -2,-0.5 2,-0.7 -0.918 15.5-147.8-103.6 122.5 55.9 82.0 1.1 162 11 B I E -FG 268 225C 0 63,-1.8 63,-1.3 -2,-0.5 106,-0.3 -0.841 37.0-132.2 -86.6 108.5 54.1 84.5 3.6 163 12 B K > - 0 0 10 104,-0.9 4,-2.5 -2,-0.7 3,-0.2 -0.066 24.8 -85.4 -65.6 165.5 53.1 87.2 1.1 164 13 B P H > S+ 0 0 1 0, 0.0 4,-4.7 0, 0.0 5,-0.2 0.846 130.1 43.0 -39.4 -36.5 53.5 90.9 1.2 165 14 B D H > S+ 0 0 0 2,-0.3 4,-5.0 1,-0.2 5,-0.3 0.903 107.8 59.1 -77.0 -37.2 50.2 91.3 3.2 166 15 B G H >>S+ 0 0 0 -3,-0.2 5,-2.5 2,-0.2 4,-0.6 0.973 111.6 42.1 -50.4 -50.9 51.0 88.5 5.3 167 16 B V H ><5S+ 0 0 20 -4,-2.5 3,-1.9 56,-0.2 -2,-0.3 0.979 118.5 41.4 -62.9 -65.3 54.0 90.5 6.2 168 17 B Q H 3<5S+ 0 0 113 -4,-4.7 -2,-0.2 1,-0.3 -3,-0.2 0.919 111.1 60.9 -58.1 -37.0 52.4 93.9 6.6 169 18 B R H 3<5S- 0 0 50 -4,-5.0 -1,-0.3 -5,-0.2 -2,-0.2 0.712 109.6-120.3 -61.4 -16.9 49.5 92.2 8.3 170 19 B G T <<5S+ 0 0 57 -3,-1.9 4,-0.3 -4,-0.6 3,-0.2 0.871 73.8 125.9 85.6 18.6 51.6 90.9 11.2 171 20 B L >< + 0 0 15 -5,-2.5 4,-1.3 -6,-0.3 5,-0.4 -0.112 34.6 108.5-100.6 28.7 50.9 87.2 10.5 172 21 B M H > S+ 0 0 68 -5,-0.2 4,-2.1 -6,-0.2 -1,-0.2 0.979 83.9 30.8 -73.8 -50.4 54.4 86.0 10.3 173 22 B G H > S+ 0 0 43 -3,-0.2 4,-4.8 1,-0.2 5,-0.4 0.849 114.8 61.3 -74.3 -41.4 54.8 84.2 13.4 174 23 B E H > S+ 0 0 83 -4,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.894 109.8 40.8 -49.9 -53.4 51.4 83.1 13.6 175 24 B I H >X S+ 0 0 0 -4,-1.3 3,-1.8 2,-0.2 4,-1.3 0.932 114.0 51.3 -64.7 -53.2 51.7 81.3 10.4 176 25 B I H >X S+ 0 0 33 -4,-2.1 4,-2.8 -5,-0.4 3,-0.7 0.966 107.1 57.3 -48.8 -47.1 55.1 80.0 11.1 177 26 B K H 3X S+ 0 0 113 -4,-4.8 4,-2.4 1,-0.3 -1,-0.3 0.847 96.9 61.1 -63.5 -16.2 53.7 78.7 14.4 178 27 B R H S+ 0 0 0 -4,-1.3 5,-1.4 -3,-0.7 4,-0.9 0.895 113.0 53.5 -72.9 -39.6 53.6 74.7 11.0 180 29 B E H ><5S+ 0 0 116 -4,-2.8 3,-1.8 -5,-0.3 -2,-0.2 0.974 111.3 43.0 -61.2 -58.3 55.7 74.4 14.0 181 30 B Q H 3<5S+ 0 0 58 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.534 104.5 62.3 -62.7 -17.7 53.1 73.1 16.2 182 31 B K H <<5S- 0 0 5 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.494 120.7-107.0 -74.4 -18.4 51.6 70.7 13.7 183 32 B G T <<5S+ 0 0 13 -3,-1.8 -3,-0.2 -4,-0.9 -2,-0.1 0.396 73.9 132.7 109.7 3.5 55.1 69.1 13.8 184 33 B F < - 0 0 8 -5,-1.4 2,-0.4 47,-0.1 -1,-0.3 -0.370 49.2-124.6 -79.3 171.3 56.7 70.0 10.5 185 34 B R E -H 230 0C 23 45,-1.6 45,-2.4 110,-0.0 2,-0.6 -0.965 7.9-128.2-130.0 134.7 60.3 71.3 10.4 186 35 B L E +H 229 0C 40 -2,-0.4 43,-0.3 43,-0.2 3,-0.1 -0.651 29.3 170.6 -80.3 124.5 61.7 74.4 9.0 187 36 B V E + 0 0 5 41,-3.5 2,-0.2 -2,-0.6 -1,-0.2 0.835 65.4 12.0 -94.6 -63.5 64.5 73.5 6.8 188 37 B A E +H 228 0C 1 40,-0.7 40,-2.0 102,-0.1 -1,-0.3 -0.704 65.4 164.3-114.0 162.5 65.2 76.9 5.1 189 38 B M E +H 227 0C 97 100,-0.3 2,-0.3 -2,-0.2 38,-0.2 -0.492 4.5 157.0 176.2 118.3 64.0 80.5 5.7 190 39 B K E -H 226 0C 61 36,-1.1 36,-2.4 -2,-0.1 2,-0.8 -0.987 35.5-123.8-146.1 144.4 64.8 84.1 4.9 191 40 B F E +H 225 0C 123 -2,-0.3 34,-0.2 34,-0.2 2,-0.2 -0.544 50.3 152.7 -76.6 113.6 63.0 87.4 4.8 192 41 B M E -H 224 0C 40 32,-3.1 32,-2.5 -2,-0.8 2,-0.4 -0.735 51.4-116.8-137.3-171.8 63.3 89.0 1.3 193 42 B R - 0 0 147 30,-0.3 27,-0.1 -2,-0.2 32,-0.0 -0.828 41.8-133.0-124.2 83.7 62.1 91.2 -1.4 194 43 B A - 0 0 0 -2,-0.4 28,-0.1 28,-0.3 3,-0.0 -0.107 22.7-118.8 -43.0 139.0 61.4 89.0 -4.4 195 44 B S > - 0 0 51 1,-0.2 4,-2.7 4,-0.0 5,-0.2 -0.247 13.5-122.1 -75.6 163.6 62.8 90.4 -7.5 196 45 B E H > S+ 0 0 111 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.872 116.5 55.3 -68.3 -36.8 60.6 91.2 -10.3 197 46 B D H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 108.3 44.4 -64.1 -35.2 62.6 88.9 -12.2 198 47 B L H > S+ 0 0 29 2,-0.2 4,-4.0 3,-0.2 5,-0.3 0.967 110.1 53.0 -72.5 -56.3 62.1 86.1 -9.9 199 48 B L H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 -2,-0.2 0.929 110.4 51.9 -45.9 -50.6 58.4 86.7 -9.5 200 49 B K H < S+ 0 0 78 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.986 114.5 39.6 -52.9 -61.8 58.3 86.6 -13.3 201 50 B E H >< S+ 0 0 109 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.861 119.1 49.8 -59.9 -28.5 60.2 83.2 -13.5 202 51 B H H 3< S+ 0 0 21 -4,-4.0 3,-0.3 1,-0.2 -1,-0.2 0.922 119.5 35.0 -70.7 -41.7 58.2 82.0 -10.6 203 52 B Y T 3< S+ 0 0 29 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 -0.169 85.2 118.4-100.2 36.1 54.9 83.0 -12.0 204 53 B I X + 0 0 49 -3,-0.8 3,-0.8 1,-0.1 4,-0.3 0.912 63.7 57.1 -77.6 -38.7 55.7 82.2 -15.5 205 54 B D G > S+ 0 0 154 1,-0.3 2,-3.4 -3,-0.3 3,-0.5 0.944 112.1 44.2 -42.4 -83.8 53.2 79.6 -16.4 206 55 B L G 3 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 -0.355 88.6 117.2 -57.5 55.4 50.3 81.9 -15.5 207 56 B K G < + 0 0 69 -2,-3.4 2,-5.4 -3,-0.8 6,-0.3 0.854 64.7 47.7 -90.6 -78.9 52.0 84.7 -17.3 208 57 B D S < S+ 0 0 139 -3,-0.5 -1,-0.2 -4,-0.3 3,-0.1 -0.132 90.1 118.2 -66.7 57.4 49.8 85.8 -20.1 209 58 B R S > S- 0 0 86 -2,-5.4 3,-1.2 1,-0.2 -1,-0.1 -0.752 73.6-124.6-133.7 89.1 47.0 85.8 -17.6 210 59 B P G > S+ 0 0 114 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.196 109.1 51.5 12.9 -93.8 45.2 89.0 -16.9 211 60 B F G > S+ 0 0 115 1,-0.2 3,-0.8 2,-0.1 4,-0.3 0.812 95.6 79.7 -22.7 -76.2 45.8 88.9 -13.1 212 61 B F G X> S+ 0 0 37 -3,-1.2 3,-5.6 1,-0.2 4,-0.9 0.416 72.9 71.2 4.9 -91.7 49.4 88.4 -13.8 213 62 B A H X> S+ 0 0 76 -3,-1.0 4,-0.9 -6,-0.3 3,-0.6 0.509 112.8 24.7 1.7 -87.8 50.4 91.9 -14.6 214 63 B G H <> S+ 0 0 22 -3,-0.8 4,-1.5 1,-0.2 -1,-0.3 0.142 103.0 82.8 -75.1 3.4 50.1 93.3 -11.1 215 64 B L H <> S+ 0 0 28 -3,-5.6 4,-5.0 -4,-0.3 5,-0.3 0.906 100.4 40.2 -73.4 -52.7 50.6 90.1 -9.2 216 65 B V H < S+ 0 0 3 -4,-5.0 3,-0.7 1,-0.3 -25,-0.3 0.934 115.9 38.6 -61.5 -34.7 54.2 90.4 -5.1 220 69 B H H 3< S+ 0 0 46 -4,-5.1 -1,-0.3 -5,-0.3 -2,-0.2 0.633 95.7 88.2 -77.9 -25.1 57.1 92.6 -5.6 221 70 B S T 3< S+ 0 0 53 -4,-0.5 -1,-0.2 -5,-0.4 -2,-0.2 0.521 97.9 3.0 -59.3 -0.8 55.5 95.2 -3.8 222 71 B G S < S- 0 0 1 -3,-0.7 -28,-0.3 -4,-0.2 2,-0.3 -0.985 86.6 -68.3-172.1 168.8 56.9 94.2 -0.3 223 72 B P - 0 0 32 0, 0.0 -30,-0.3 0, 0.0 2,-0.3 -0.566 46.8-162.8 -75.5 145.6 59.0 91.9 1.6 224 73 B V E - H 0 192C 3 -32,-2.5 -32,-3.1 -2,-0.3 2,-0.6 -0.796 23.6-114.9-120.8 161.1 58.0 88.3 1.9 225 74 B V E -GH 162 191C 7 -63,-1.3 -63,-1.8 -2,-0.3 2,-0.3 -0.965 28.4-160.4 -89.8 90.5 58.9 85.2 4.1 226 75 B A E + H 0 190C 0 -36,-2.4 -36,-1.1 -2,-0.6 2,-0.4 -0.553 24.1 173.5 -73.3 121.1 60.6 82.5 1.9 227 76 B M E - H 0 189C 0 -2,-0.3 -67,-1.9 -67,-0.3 2,-0.4 -0.991 30.6-157.5-145.7 150.3 60.4 79.2 3.7 228 77 B V E -EH 159 188C 2 -40,-2.0 -41,-3.5 -2,-0.4 -40,-0.7 -0.994 17.9-168.2-128.4 122.2 61.0 75.5 3.4 229 78 B W E -EH 158 186C 6 -71,-2.7 -71,-3.2 -2,-0.4 2,-0.5 -0.893 3.7-154.9-124.2 146.6 59.2 72.9 5.4 230 79 B E E +EH 157 185C 17 -45,-2.4 -45,-1.6 -2,-0.4 2,-0.3 -0.918 33.0 88.1-119.9 125.8 59.7 69.4 6.0 231 80 B G S > S- 0 0 0 -75,-3.6 3,-1.7 -2,-0.5 2,-0.7 -0.964 72.7 -38.3 172.2 176.1 57.6 66.5 6.9 232 81 B L T 3 S- 0 0 33 -2,-0.3 -78,-0.2 1,-0.3 5,-0.2 -0.298 122.4 -15.8 -65.2 118.7 55.4 63.7 6.0 233 82 B N T 3> S+ 0 0 61 -80,-0.7 4,-2.0 -2,-0.7 5,-0.3 0.934 82.2 158.6 58.5 43.3 53.2 64.9 3.3 234 83 B V H <>> + 0 0 0 -3,-1.7 4,-4.8 3,-0.2 5,-0.6 0.943 67.7 57.8 -64.3 -42.0 53.9 68.6 3.7 235 84 B V H >5S+ 0 0 7 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.977 115.8 34.1 -49.0 -59.2 52.9 69.5 0.3 236 85 B K H 45S+ 0 0 99 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.941 125.5 41.9 -52.2 -57.5 49.5 68.1 0.7 237 86 B T H >X5S+ 0 0 8 -4,-2.0 4,-1.8 1,-0.3 3,-0.9 0.783 108.3 55.7 -59.6 -46.0 49.1 68.9 4.2 238 87 B G H 3X5S+ 0 0 0 -4,-4.8 4,-1.3 -5,-0.3 -1,-0.3 0.824 103.5 61.3 -67.1 -27.6 50.5 72.3 4.2 239 88 B R H 3X S- 0 0 56 1,-0.2 3,-2.1 18,-0.0 4,-0.4 -0.801 81.8-148.9 -97.9 123.4 40.5 81.9 -2.7 247 96 B P G > S+ 0 0 1 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.653 93.0 75.2 -60.3 -24.7 39.8 82.9 0.8 248 97 B A G 3 S+ 0 0 29 1,-0.3 14,-0.1 13,-0.2 -3,-0.0 0.757 107.1 37.4 -52.5 -37.6 36.1 83.1 0.0 249 98 B D G < S+ 0 0 78 -3,-2.1 -1,-0.3 2,-0.1 2,-0.1 0.457 93.7 100.6 -97.9 -5.5 36.4 79.3 0.1 250 99 B S < - 0 0 8 -3,-0.6 3,-0.1 -4,-0.4 -7,-0.0 -0.551 64.3-133.7 -73.9 157.7 38.9 78.7 2.9 251 100 B K > - 0 0 121 1,-0.2 3,-2.5 -2,-0.1 7,-0.4 -0.581 24.9 -78.4-115.5 174.9 37.5 77.7 6.2 252 101 B P T 3 S+ 0 0 19 0, 0.0 154,-0.2 0, 0.0 -1,-0.2 -0.244 116.2 33.5 -56.7 146.5 37.8 78.4 9.7 253 102 B G T 3 S+ 0 0 9 1,-0.5 -152,-0.2 152,-0.3 152,-0.1 -0.035 99.4 101.8 95.0 -19.7 40.9 76.9 11.3 254 103 B T S <> S- 0 0 7 -3,-2.5 4,-1.0 -154,-0.2 -1,-0.5 -0.241 83.0-113.1 -79.4 172.6 42.8 77.3 8.0 255 104 B I H > S+ 0 0 0 -14,-2.4 4,-0.9 -13,-1.6 -12,-0.2 0.957 113.4 32.9 -74.7 -63.7 45.3 80.0 7.5 256 105 B R H > S+ 0 0 4 -14,-2.8 4,-1.3 2,-0.2 -13,-0.2 0.753 114.1 63.2 -58.4 -23.6 43.7 82.1 4.9 257 106 B G H 4 S+ 0 0 5 -15,-0.6 -1,-0.2 -6,-0.3 -2,-0.1 0.974 109.0 42.1 -70.7 -38.4 40.1 81.2 6.3 258 107 B D H < S+ 0 0 23 -4,-1.0 -1,-0.2 -7,-0.4 -2,-0.2 0.642 128.2 19.4 -72.9 -24.1 40.9 82.8 9.4 259 108 B F H < S+ 0 0 9 -4,-0.9 2,-0.2 75,-0.2 -1,-0.2 0.347 108.5 52.6-137.3 1.6 42.7 86.0 8.3 260 109 B C < - 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0 0 0 -2,-0.7 2,-0.1 28,-0.4 28,-0.1 -0.497 15.5-121.0 -72.1 146.7 17.6 94.1 24.2 347 44 C S > - 0 0 42 -2,-0.2 4,-4.4 1,-0.2 5,-0.3 -0.486 18.9-115.5 -84.6 160.0 13.8 94.5 24.9 348 45 C E H > S+ 0 0 86 1,-0.3 4,-3.8 2,-0.2 5,-0.3 0.933 121.2 54.1 -63.5 -34.3 11.2 91.9 24.3 349 46 C D H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.984 110.5 44.6 -57.5 -49.3 9.9 94.3 21.8 350 47 C L H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.938 117.0 44.6 -55.4 -55.1 13.2 94.5 20.1 351 48 C L H X S+ 0 0 0 -4,-4.4 4,-5.3 1,-0.2 -1,-0.2 0.933 109.4 58.5 -55.0 -48.6 13.7 90.7 20.2 352 49 C K H < S+ 0 0 89 -4,-3.8 -1,-0.2 -5,-0.3 -2,-0.2 0.861 113.3 37.3 -58.8 -33.4 10.1 90.1 19.1 353 50 C E H >< S+ 0 0 100 -4,-2.3 3,-0.8 -5,-0.3 -1,-0.3 0.775 115.1 53.0 -89.8 -21.5 10.6 92.0 16.0 354 51 C H H 3< S+ 0 0 10 -4,-2.0 2,-0.6 -5,-0.3 3,-0.4 0.945 117.7 39.1 -64.7 -49.2 14.0 90.8 15.5 355 52 C Y T >< S+ 0 0 22 -4,-5.3 3,-1.5 -5,-0.2 -1,-0.2 0.126 81.8 130.6 -86.5 33.0 12.7 87.3 15.8 356 53 C I G X + 0 0 62 -3,-0.8 3,-2.6 -2,-0.6 -1,-0.2 0.923 60.4 54.0 -57.8 -49.5 9.6 87.8 14.0 357 54 C D G 3 S+ 0 0 119 -3,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.598 106.6 55.5 -64.3 -4.3 9.4 85.1 11.5 358 55 C L G < + 0 0 46 -3,-1.5 6,-0.4 -6,-0.1 -1,-0.3 -0.060 67.6 113.4-114.8 19.5 9.9 82.5 14.2 359 56 C K S < S+ 0 0 133 -3,-2.6 2,-0.8 1,-0.2 -2,-0.1 0.740 76.3 57.7 -62.9 -22.0 6.9 83.9 16.1 360 57 C D S S+ 0 0 118 -4,-0.2 -1,-0.2 -3,-0.2 3,-0.1 -0.836 85.6 96.2-108.8 78.4 5.3 80.4 15.2 361 58 C R S S- 0 0 134 -2,-0.8 4,-0.2 -3,-0.1 -3,-0.1 -0.917 74.0-136.5-167.5 144.8 7.9 78.3 16.8 362 59 C P S > S+ 0 0 128 0, 0.0 3,-0.9 0, 0.0 4,-0.1 0.794 105.5 61.6 -86.1 -22.2 7.5 77.0 20.2 363 60 C F T >> S+ 0 0 99 1,-0.3 3,-4.5 2,-0.1 4,-1.1 0.876 83.1 93.0 -61.7 -40.6 11.0 77.9 20.9 364 61 C F H 3> S+ 0 0 38 -6,-0.4 4,-1.3 1,-0.3 -1,-0.3 0.551 83.3 40.5 -28.6 -41.0 10.1 81.3 20.3 365 62 C A H <4 S+ 0 0 62 -3,-0.9 -1,-0.3 -4,-0.2 4,-0.3 0.579 113.6 55.8 -98.2 7.3 9.2 82.5 23.6 366 63 C G H <> S+ 0 0 39 -3,-4.5 4,-3.2 2,-0.2 -2,-0.2 0.851 110.1 45.0 -85.1 -51.2 12.1 80.7 25.1 367 64 C L H X S+ 0 0 23 -4,-1.1 4,-4.8 2,-0.2 5,-0.5 0.987 112.1 52.6 -49.9 -72.0 14.5 82.5 22.8 368 65 C V H < S+ 0 0 6 -4,-1.3 4,-0.3 1,-0.3 -1,-0.2 0.777 113.1 44.6 -38.2 -40.2 12.8 85.8 23.4 369 66 C K H >4 S+ 0 0 118 -4,-0.3 3,-0.9 -5,-0.2 4,-0.3 0.975 117.6 41.1 -72.6 -51.6 13.1 85.3 27.1 370 67 C Y H >< S+ 0 0 6 -4,-3.2 3,-1.6 -3,-0.3 4,-0.4 0.924 109.3 60.2 -65.2 -40.8 16.6 84.1 27.2 371 68 C M T 3< S+ 0 0 2 -4,-4.8 -25,-0.4 1,-0.3 -1,-0.3 0.673 115.3 36.4 -57.8 -6.5 17.6 86.6 24.6 372 69 C H T < S+ 0 0 54 -3,-0.9 -1,-0.3 -5,-0.5 -2,-0.2 0.413 90.0 94.7-123.4 -2.4 16.5 89.2 27.0 373 70 C S S < S- 0 0 45 -3,-1.6 -2,-0.2 -4,-0.3 -3,-0.1 0.667 99.7 -6.1 -71.0 -8.7 17.6 87.4 30.0 374 71 C G S S- 0 0 2 -4,-0.4 -28,-0.4 -3,-0.1 -1,-0.1 -0.987 91.9 -55.9-167.5 174.1 21.0 89.5 29.9 375 72 C P - 0 0 35 0, 0.0 -30,-0.3 0, 0.0 2,-0.2 -0.220 46.9-169.6 -57.3 153.6 23.1 91.9 28.1 376 73 C V E - K 0 344D 0 -32,-3.2 -32,-0.6 -57,-0.1 2,-0.4 -0.669 20.5-122.4-135.0 172.5 24.1 91.3 24.5 377 74 C V E -IK 314 343D 8 -63,-1.5 -63,-1.3 -2,-0.2 2,-0.3 -0.966 23.7-164.8-128.2 115.5 26.6 92.9 22.1 378 75 C A E +IK 313 342D 0 -36,-3.8 -36,-2.1 -2,-0.4 2,-0.3 -0.799 18.5 160.2 -97.5 149.5 25.2 94.3 18.8 379 76 C M E -IK 312 341D 0 -67,-1.0 -67,-2.7 -2,-0.3 2,-0.3 -0.953 33.3-144.9-160.1 162.2 27.6 95.1 16.1 380 77 C V E -IK 311 340D 0 -40,-1.9 -41,-1.4 -2,-0.3 -40,-1.3 -0.890 22.7-172.5-133.3 140.6 27.8 95.7 12.3 381 78 C W E -IK 310 338D 4 -71,-1.3 -71,-1.4 -2,-0.3 2,-0.5 -0.957 9.7-149.1-130.7 142.5 30.9 94.5 10.7 382 79 C E E +IK 309 337D 7 -45,-4.6 -45,-4.3 -2,-0.4 2,-0.2 -0.971 32.9 94.9-135.2 163.2 31.7 95.2 7.3 383 80 C G > - 0 0 0 -75,-2.4 3,-1.8 -2,-0.5 -76,-0.2 -0.795 69.6 -35.3 159.2 175.9 33.4 93.9 4.4 384 81 C L T 3 S- 0 0 33 1,-0.3 -78,-0.2 -2,-0.2 5,-0.1 -0.188 124.4 -12.1 -58.8 131.8 33.1 91.9 1.0 385 82 C N T 3> S+ 0 0 72 -80,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.719 87.7 155.4 33.2 37.9 30.6 89.0 1.3 386 83 C V H <> + 0 0 0 -3,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.520 63.3 57.5 -60.4 -14.2 30.7 89.7 5.0 387 84 C V H > S+ 0 0 8 2,-0.1 4,-1.2 3,-0.1 -1,-0.2 0.946 112.4 35.6 -88.4 -55.2 27.2 88.1 5.4 388 85 C K H >> S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 3,-1.1 0.988 121.9 48.4 -52.3 -59.0 28.0 84.7 4.0 389 86 C T H 3X S+ 0 0 12 -4,-2.2 4,-3.5 1,-0.3 5,-0.3 0.901 108.0 54.2 -40.7 -53.3 31.6 84.7 5.5 390 87 C G H 3X S+ 0 0 2 -4,-0.7 4,-1.2 -5,-0.3 -1,-0.3 0.826 107.7 52.0 -57.4 -30.3 30.4 85.7 8.9 391 88 C R H S- 0 0 64 1,-0.2 3,-2.1 3,-0.1 4,-0.3 -0.730 78.2-151.5 -90.1 113.0 23.1 74.0 15.6 399 96 C P G > S+ 0 0 1 0, 0.0 3,-2.6 0, 0.0 15,-0.2 0.888 93.8 70.7 -47.4 -35.4 26.4 73.8 17.5 400 97 C A G 3 S+ 0 0 26 1,-0.3 14,-0.1 13,-0.2 -3,-0.1 0.816 105.4 40.2 -49.0 -38.1 26.1 70.0 17.0 401 98 C D G < S+ 0 0 92 -3,-2.1 2,-0.6 -5,-0.1 -1,-0.3 0.347 89.1 108.2-103.1 16.1 26.8 70.6 13.4 402 99 C S < - 0 0 8 -3,-2.6 3,-0.1 -4,-0.3 4,-0.1 -0.844 67.1-121.4-106.2 126.3 29.4 73.3 13.5 403 100 C K > - 0 0 145 -2,-0.6 3,-1.4 1,-0.1 6,-0.4 -0.257 33.7 -98.3 -54.1 128.5 33.0 72.4 12.5 404 101 C P T 3 S+ 0 0 23 0, 0.0 -302,-0.2 0, 0.0 -1,-0.1 -0.079 113.7 49.2 -44.1 141.2 35.8 73.0 15.0 405 102 C G T 3 S+ 0 0 10 1,-0.5 -152,-0.3 -304,-0.3 2,-0.3 0.303 92.6 98.9 103.2 -20.4 37.5 76.4 14.0 406 103 C T S <> S- 0 0 10 -3,-1.4 4,-2.2 -154,-0.2 -1,-0.5 -0.772 85.6-119.5-101.1 150.2 34.0 78.1 13.9 407 104 C I H > S+ 0 0 0 -14,-2.8 4,-1.5 -2,-0.3 -12,-0.2 0.860 120.2 44.5 -55.8 -43.3 32.9 80.1 16.9 408 105 C R H > S+ 0 0 3 -14,-2.5 4,-2.3 -15,-0.3 -1,-0.2 0.976 110.2 61.3 -63.4 -49.7 30.0 77.8 17.4 409 106 C G H 4 S+ 0 0 3 -6,-0.4 -2,-0.3 1,-0.2 -1,-0.2 0.766 115.0 25.9 -43.9 -57.7 32.4 75.0 16.8 410 107 C D H < S+ 0 0 25 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.586 127.5 40.1 -95.4 -9.8 34.8 75.7 19.8 411 108 C F H < S+ 0 0 5 -4,-1.5 2,-0.3 -5,-0.3 -2,-0.2 0.684 101.0 46.9-111.4 -13.6 32.7 77.3 22.1 412 109 C C < - 0 0 0 -4,-2.3 -1,-0.2 1,-0.1 -381,-0.1 -0.990 38.0-167.1-141.7 142.0 29.1 76.0 22.4 413 110 C I + 0 0 9 -2,-0.3 2,-0.3 4,-0.2 -13,-0.2 0.848 68.2 44.8 -89.9 -47.9 27.2 72.7 22.8 414 111 C Q > - 0 0 28 -265,-0.6 3,-2.5 3,-0.4 -1,-0.1 -0.877 68.4-122.0-123.5 147.6 23.5 73.5 22.1 415 112 C V T 3 S+ 0 0 70 -2,-0.3 3,-0.4 1,-0.3 -265,-0.1 0.531 112.0 45.4 -44.7 -30.6 20.9 75.3 19.8 416 113 C G T 3 S+ 0 0 8 1,-0.2 -1,-0.3 -267,-0.1 -266,-0.1 0.225 119.2 38.8-104.7 -2.5 19.4 77.4 22.7 417 114 C R S < S+ 0 0 38 -3,-2.5 -3,-0.4 -268,-0.2 -4,-0.2 -0.510 75.6 135.8-136.5 52.7 22.6 78.4 24.2 418 115 C N - 0 0 2 -3,-0.4 2,-3.0 -5,-0.1 -3,-0.1 -0.104 54.0-142.5 -97.9 27.1 24.4 78.9 20.9 419 116 C I + 0 0 0 -271,-0.2 -104,-1.9 -105,-0.1 2,-0.3 0.291 63.0 45.8 33.2 -3.8 26.0 82.2 21.9 420 117 C I E -J 314 0D 0 -2,-3.0 2,-0.3 -106,-0.2 -106,-0.3 -1.000 51.0-160.8-154.9 168.2 25.8 84.3 18.8 421 118 C H E +J 313 0D 20 -108,-3.3 -108,-2.0 -2,-0.3 2,-0.4 -0.960 11.4 177.5-142.7 147.8 23.7 85.5 15.8 422 119 C G E -J 312 0D 1 -2,-0.3 -110,-0.2 -110,-0.2 -35,-0.0 -0.981 43.0 -82.1-145.3 153.7 24.9 86.8 12.6 423 120 C S - 0 0 0 -112,-2.0 6,-0.1 -2,-0.4 -32,-0.1 -0.295 27.0-146.2 -57.8 142.4 22.7 87.8 9.7 424 121 C D S S- 0 0 94 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.486 74.1 -6.6 -87.2 -6.6 21.4 85.3 7.2 425 122 C S S > S- 0 0 29 1,-0.2 4,-2.3 -38,-0.0 -1,-0.1 -0.968 77.5 -92.8-172.8 168.8 21.4 87.3 4.2 426 123 C V H > S+ 0 0 55 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.929 122.4 50.0 -66.1 -35.8 21.9 90.7 3.1 427 124 C E H > S+ 0 0 128 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.912 111.1 50.5 -64.4 -32.2 18.3 91.6 3.3 428 125 C S H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.887 108.0 53.4 -72.8 -31.2 18.2 90.3 6.6 429 126 C A H X S+ 0 0 2 -4,-2.3 4,-3.5 2,-0.2 5,-0.3 0.969 105.7 51.3 -66.7 -44.6 21.2 92.3 7.4 430 127 C E H X S+ 0 0 124 -4,-2.8 4,-2.9 1,-0.2 5,-0.4 0.933 112.7 50.1 -50.6 -44.8 19.6 95.6 6.3 431 128 C K H X S+ 0 0 76 -4,-1.9 4,-3.4 -5,-0.3 -1,-0.2 0.961 114.2 39.4 -57.2 -56.4 16.7 94.8 8.5 432 129 C E H X S+ 0 0 10 -4,-2.3 4,-3.6 2,-0.2 5,-0.4 0.850 113.3 53.9 -69.3 -36.2 18.5 94.0 11.6 433 130 C I H X S+ 0 0 28 -4,-3.5 4,-4.9 -5,-0.3 -1,-0.2 0.980 113.3 43.9 -59.1 -55.8 21.0 96.7 11.2 434 131 C A H < S+ 0 0 72 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.982 116.4 50.6 -52.9 -44.4 18.0 99.1 10.9 435 132 C L H < S+ 0 0 47 -4,-3.4 -1,-0.2 -5,-0.4 -2,-0.2 0.938 119.6 32.4 -58.3 -46.9 16.4 97.4 13.7 436 133 C W H < S+ 0 0 8 -4,-3.6 2,-0.6 1,-0.2 -1,-0.2 0.856 117.4 45.6 -90.0 -29.6 19.3 97.5 16.0 437 134 C F < - 0 0 9 -4,-4.9 -1,-0.2 -5,-0.4 5,-0.0 -0.925 65.8-132.1-125.4 148.2 20.9 100.6 15.1 438 135 C R > - 0 0 154 -2,-0.6 3,-2.2 1,-0.1 4,-0.5 -0.589 38.2-121.6 -72.3 130.3 20.2 104.1 14.4 439 136 C P T 3 S+ 0 0 100 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.686 111.0 64.7 -45.2 -27.7 22.2 104.9 11.2 440 137 C E T 3 S+ 0 0 143 1,-0.2 -3,-0.0 3,-0.1 -2,-0.0 0.873 92.9 62.0 -64.3 -43.7 24.0 107.6 13.0 441 138 C E S < S+ 0 0 41 -3,-2.2 2,-0.8 2,-0.1 -1,-0.2 0.570 81.0 95.9 -65.9 -14.0 25.6 105.0 15.3 442 139 C L S S- 0 0 29 -4,-0.5 2,-0.4 -3,-0.5 -102,-0.2 -0.761 75.9-135.8 -85.8 122.8 27.2 103.5 12.4 443 140 C V - 0 0 82 -104,-2.5 2,-0.8 -2,-0.8 -2,-0.1 -0.457 9.5-153.5 -69.2 105.2 30.9 104.8 12.1 444 141 C N + 0 0 119 -2,-0.4 2,-0.3 2,-0.0 -105,-0.0 -0.747 40.5 126.1 -90.2 120.4 32.0 105.7 8.6 445 142 C Y - 0 0 96 -2,-0.8 2,-0.4 0, 0.0 -2,-0.0 -0.925 52.7-104.9-155.0 171.9 35.9 105.4 8.3 446 143 C K - 0 0 129 -2,-0.3 2,-0.2 3,-0.0 3,-0.1 -0.893 30.6-122.9-112.2 148.6 38.7 103.9 6.4 447 144 C S - 0 0 36 -2,-0.4 4,-0.3 1,-0.1 3,-0.3 -0.571 4.8-143.2 -83.5 139.3 41.0 100.9 7.5 448 145 C C S > S+ 0 0 138 -2,-0.2 3,-0.7 1,-0.2 4,-0.2 0.987 108.7 49.5 -56.9 -50.1 44.8 101.0 7.8 449 146 C A T >>>S+ 0 0 29 1,-0.3 3,-2.7 2,-0.1 4,-1.7 0.594 82.3 113.7 -53.5 -22.6 44.8 97.4 6.4 450 147 C Q H >>5S+ 0 0 68 1,-0.3 4,-2.0 -3,-0.3 3,-0.6 0.804 76.7 35.4 -24.9 -67.5 42.7 98.5 3.8 451 148 C N H <45S+ 0 0 115 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.739 115.2 59.0 -67.8 -21.7 44.9 98.1 0.8 452 149 C W H <45S+ 0 0 57 -3,-2.7 -1,-0.2 -4,-0.2 -2,-0.2 0.706 112.8 37.2 -76.4 -25.9 46.5 95.0 2.3 453 150 C I H <<5S+ 0 0 5 -4,-1.7 2,-0.5 -3,-0.6 -191,-0.5 0.617 117.6 58.3 -91.6 -30.5 43.2 93.1 2.5 454 151 C Y << 0 0 31 -4,-2.0 -1,-0.1 -5,-0.5 -191,-0.0 -0.918 360.0 360.0-120.6 138.7 41.9 94.5 -0.6 455 152 C E 0 0 156 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 0.669 360.0 360.0 -66.0 360.0 43.1 94.4 -4.2