==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-08 3DE4 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR E.PECHKOVA,S.K.TRIPATHI,C.NICOLINI . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 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 . 3 1.1 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 1 1 0 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 3 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 1 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 X A 0 0 30 0, 0.0 24,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.4 -9.4 12.7 -17.7 2 2 X A E -A 24 0A 62 22,-0.2 2,-0.7 277,-0.0 22,-0.2 -0.978 360.0-163.2-139.9 121.6 -7.7 10.5 -15.1 3 3 X Q E > -A 23 0A 30 20,-3.0 20,-2.4 -2,-0.4 3,-0.5 -0.912 21.6-146.2-102.4 112.3 -6.1 11.5 -11.9 4 4 X T T 3 S+ 0 0 98 -2,-0.7 18,-0.2 1,-0.2 -2,-0.0 -0.329 76.1 16.5 -77.3 156.5 -3.8 8.7 -10.6 5 5 X N T 3 S+ 0 0 137 1,-0.1 -1,-0.2 -2,-0.0 17,-0.2 0.888 88.9 171.0 48.9 47.0 -3.3 7.9 -6.9 6 6 X A < - 0 0 11 15,-2.8 -1,-0.1 -3,-0.5 76,-0.1 -0.352 45.8 -80.7 -77.4 161.4 -6.5 9.9 -6.1 7 7 X P >> - 0 0 19 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.348 49.1-112.3 -56.2 148.6 -8.1 9.9 -2.6 8 8 X W H 3> S+ 0 0 24 1,-0.2 4,-2.5 199,-0.2 12,-0.2 0.858 114.1 58.2 -57.8 -35.7 -10.1 6.7 -2.3 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.860 106.1 47.3 -63.4 -40.7 -13.4 8.6 -2.3 10 10 X L H <> S+ 0 0 1 -3,-0.6 4,-0.8 2,-0.2 14,-0.3 0.906 113.1 48.9 -66.7 -44.2 -12.8 10.3 -5.7 11 11 X A H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.914 110.8 52.2 -58.9 -42.1 -11.8 7.0 -7.2 12 12 X R H >< S+ 0 0 4 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.885 102.2 57.8 -64.4 -40.1 -14.9 5.4 -5.7 13 13 X I H 3< S+ 0 0 1 -4,-1.9 262,-3.0 1,-0.3 263,-0.3 0.693 111.9 42.7 -66.3 -18.9 -17.3 8.0 -7.2 14 14 X S T << S+ 0 0 8 -3,-0.8 2,-0.4 -4,-0.8 -1,-0.3 0.147 105.6 83.5-110.5 20.7 -16.0 7.1 -10.7 15 15 X S < - 0 0 15 -3,-1.7 242,-0.1 1,-0.1 261,-0.1 -0.947 61.3-152.2-130.5 144.2 -15.9 3.3 -10.2 16 16 X T S S+ 0 0 92 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.516 92.4 40.8 -82.2 -7.7 -18.4 0.4 -10.5 17 17 X S S S- 0 0 55 -5,-0.0 3,-0.3 240,-0.0 -3,-0.1 -0.989 82.2-118.7-140.6 149.9 -16.2 -1.4 -7.9 18 18 X P S S+ 0 0 53 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.258 84.3 57.3 -71.9 172.6 -14.3 -0.5 -4.6 19 19 X G S S+ 0 0 77 166,-0.5 2,-0.3 1,-0.3 167,-0.1 0.629 74.8 114.5 84.5 17.0 -10.6 -0.9 -4.3 20 20 X T - 0 0 63 -3,-0.3 -1,-0.3 -12,-0.2 -9,-0.1 -0.761 47.1-158.1-114.1 163.8 -9.3 1.3 -7.2 21 21 X S + 0 0 59 -2,-0.3 -15,-2.8 -10,-0.1 2,-0.5 0.278 58.2 92.2-131.9 12.5 -7.2 4.5 -6.9 22 22 X T - 0 0 25 -17,-0.2 2,-0.6 -18,-0.2 -18,-0.2 -0.940 61.0-143.9-110.0 133.0 -7.6 6.5 -10.1 23 23 X Y E -A 3 0A 0 -20,-2.4 -20,-3.0 -2,-0.5 2,-0.4 -0.862 15.7-164.2 -94.0 122.4 -10.3 9.2 -10.4 24 24 X Y E +A 2 0A 93 -2,-0.6 2,-0.3 -14,-0.3 -22,-0.2 -0.908 21.3 148.7-108.3 131.9 -11.9 9.4 -13.9 25 25 X Y - 0 0 30 -24,-1.7 2,-0.2 -2,-0.4 -11,-0.0 -0.995 51.7 -89.8-158.0 153.6 -13.9 12.4 -14.9 26 26 X D > - 0 0 49 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.481 40.3-125.0 -63.4 134.5 -14.9 14.6 -17.9 27 27 X E T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.688 103.0 80.9 -59.7 -21.8 -12.3 17.4 -18.3 28 28 X S T > S- 0 0 39 1,-0.1 3,-2.6 2,-0.1 -1,-0.3 0.852 76.3-174.6 -51.0 -35.2 -15.1 20.1 -18.2 29 29 X A T < - 0 0 0 -3,-2.0 58,-2.9 1,-0.3 59,-0.4 0.724 64.4 -52.3 49.0 38.0 -14.8 19.4 -14.4 30 30 X G T > S+ 0 0 0 206,-0.3 3,-2.0 1,-0.2 59,-0.3 0.626 85.2 167.3 77.4 11.3 -17.7 21.5 -13.2 31 31 X Q T < + 0 0 122 -3,-2.6 -1,-0.2 1,-0.2 57,-0.2 -0.374 66.2 25.1 -57.8 135.0 -16.5 24.6 -15.1 32 32 X G T 3 S+ 0 0 25 55,-0.5 93,-2.9 1,-0.4 94,-0.7 0.386 103.7 103.3 90.7 -3.8 -19.3 27.3 -15.1 33 33 X S E < -b 126 0B 0 -3,-2.0 56,-1.9 92,-0.2 -1,-0.4 -0.628 57.6-146.7-103.2 166.2 -20.9 25.9 -12.0 34 34 X a E -bc 127 89B 0 92,-1.8 94,-2.3 -2,-0.2 2,-0.4 -0.996 6.1-163.6-132.8 142.6 -20.8 27.3 -8.4 35 35 X V E -bc 128 90B 0 54,-2.7 56,-2.6 -2,-0.4 2,-0.4 -0.992 7.9-153.1-128.2 123.3 -20.9 25.5 -5.1 36 36 X Y E -bc 129 91B 0 92,-2.9 94,-2.9 -2,-0.4 2,-0.6 -0.810 6.7-156.1 -89.5 133.9 -21.6 27.3 -1.8 37 37 X V E -bc 130 92B 0 54,-2.7 56,-2.4 -2,-0.4 2,-0.8 -0.952 5.2-162.9-112.6 109.9 -20.0 25.6 1.2 38 38 X I E +bc 131 93B 0 92,-2.1 94,-0.8 -2,-0.6 56,-0.2 -0.842 51.8 83.0-101.7 105.3 -22.1 26.5 4.3 39 39 X D E S- c 0 94B 1 54,-2.0 57,-2.4 -2,-0.8 56,-1.4 -0.539 97.8 -32.2-168.3-141.7 -19.8 25.7 7.2 40 40 X T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.3 0.327 97.2 -94.5 -90.3 4.1 -16.9 27.2 9.3 41 41 X G - 0 0 0 52,-0.3 -1,-0.4 -4,-0.2 2,-0.4 -0.615 37.3 -91.0 112.8-176.5 -15.5 29.1 6.2 42 42 X I - 0 0 3 21,-0.5 2,-1.9 -2,-0.2 3,-0.1 -0.985 18.2-130.7-141.3 131.0 -12.9 28.4 3.6 43 43 X E > - 0 0 42 -2,-0.4 3,-1.9 1,-0.2 6,-0.2 -0.621 31.9-175.4 -74.9 86.7 -9.2 29.2 3.6 44 44 X A T 3 S+ 0 0 32 -2,-1.9 7,-0.4 1,-0.3 9,-0.4 0.751 72.8 65.4 -59.6 -27.1 -9.4 30.7 0.1 45 45 X S T 3 S+ 0 0 104 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.493 70.5 123.9 -76.9 -4.7 -5.7 31.3 -0.2 46 46 X H X> - 0 0 10 -3,-1.9 3,-2.5 1,-0.2 4,-0.6 -0.395 68.0-132.3 -57.7 126.7 -4.9 27.6 -0.1 47 47 X P G >4 S+ 0 0 104 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.829 102.9 69.7 -50.6 -32.4 -2.9 26.7 -3.2 48 48 X E G 34 S+ 0 0 28 1,-0.3 32,-2.4 2,-0.1 33,-0.1 0.695 94.2 54.3 -61.6 -20.2 -5.3 23.8 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.5 3,-2.3 30,-0.2 -1,-0.3 0.639 90.7-150.2 -92.7 -15.4 -8.1 26.2 -4.7 50 50 X E T << - 0 0 99 -3,-1.2 -2,-0.1 -4,-0.6 -5,-0.1 0.775 67.1 -55.0 61.9 29.8 -6.2 28.0 -7.4 51 51 X G T 3 S+ 0 0 71 -7,-0.4 -1,-0.3 -5,-0.4 -6,-0.1 0.498 117.5 108.8 80.6 1.3 -8.0 31.3 -7.0 52 52 X R < + 0 0 22 -3,-2.3 38,-2.8 -8,-0.1 2,-0.4 0.470 60.6 80.8 -92.3 -2.4 -11.4 29.6 -7.5 53 53 X A E +d 90 0B 9 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.856 52.2 169.9-107.2 146.1 -12.5 30.0 -3.8 54 54 X Q E -d 91 0B 96 36,-1.7 38,-2.7 -2,-0.4 2,-0.5 -0.989 32.8-127.6-150.4 135.6 -13.9 33.1 -2.2 55 55 X M E +d 92 0B 42 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.758 30.1 171.4 -76.6 128.6 -15.5 33.9 1.2 56 56 X V E + 0 0 30 36,-2.5 2,-0.3 -2,-0.5 37,-0.2 0.639 58.7 14.6-111.1 -19.8 -18.8 35.7 0.5 57 57 X K E +d 93 0B 72 35,-1.5 37,-2.7 6,-0.1 2,-0.3 -0.986 51.5 175.9-156.1 140.6 -20.5 35.9 3.9 58 58 X T E -d 94 0B 37 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.991 19.6-160.9-141.2 154.1 -19.8 35.5 7.6 59 59 X Y S S+ 0 0 67 35,-1.6 2,-0.2 -2,-0.3 36,-0.1 0.247 76.4 69.4-108.8 9.5 -21.9 36.0 10.8 60 60 X Y S S- 0 0 29 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.630 102.7 -87.0-123.4 177.0 -18.8 36.3 13.0 61 61 X Y S S+ 0 0 220 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.698 112.2 30.1 -68.1 -15.5 -16.0 38.8 13.6 62 62 X S - 0 0 55 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.967 59.1-150.3-138.0 156.4 -14.0 37.1 10.9 63 63 X S + 0 0 48 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.457 67.3 112.7 -97.5 -4.1 -14.7 35.2 7.6 64 64 X R S S- 0 0 67 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.340 77.0-115.8 -68.3 146.4 -11.5 33.2 8.0 65 65 X D + 0 0 9 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.768 38.6 170.1 -80.5 103.1 -11.8 29.5 8.7 66 66 X G S S+ 0 0 37 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.328 74.5 48.4 -93.8 5.4 -10.3 29.1 12.2 67 67 X N S S- 0 0 46 -27,-0.3 146,-0.1 30,-0.0 -1,-0.1 0.818 89.0-136.4-109.0 -55.9 -11.4 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.5 -28,-0.1 5,-0.2 -0.064 77.8 100.0 118.5 -31.8 -10.5 23.6 9.2 69 69 X H H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.930 84.4 44.7 -58.0 -48.3 -13.8 21.8 8.7 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.886 113.0 51.9 -63.2 -38.2 -15.2 24.1 6.1 71 71 X T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 140,-0.3 0.901 109.4 50.5 -65.0 -41.2 -11.9 24.2 4.2 72 72 X H H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 139,-0.3 0.943 112.2 46.4 -59.6 -50.3 -11.8 20.4 4.2 73 73 X C H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-0.3 0.940 112.0 50.6 -58.3 -48.1 -15.4 20.2 2.8 74 74 X A H X S+ 0 0 0 -4,-2.8 4,-2.7 -33,-0.2 5,-0.3 0.887 106.9 55.8 -56.9 -40.7 -14.6 22.8 0.2 75 75 X G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.874 106.4 49.7 -60.7 -36.8 -11.5 20.8 -0.8 76 76 X T H < S+ 0 0 1 -4,-1.7 8,-2.4 -3,-0.3 -1,-0.2 0.849 112.3 48.6 -73.7 -32.9 -13.6 17.7 -1.4 77 77 X V H < S- 0 0 0 -4,-1.8 8,-3.2 6,-0.2 -2,-0.2 0.972 138.7 -14.8 -63.7 -53.1 -16.0 19.7 -3.6 78 78 X G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.266 80.6 132.0-152.0 19.1 -13.4 21.4 -5.7 79 79 X S X - 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 -30,-0.2 -0.435 62.6-115.3 -71.2 156.4 -9.7 21.5 -4.8 80 80 X R T 4 S+ 0 0 150 -32,-2.4 -1,-0.1 1,-0.2 6,-0.1 0.891 110.3 23.8 -58.6 -43.3 -7.3 20.5 -7.6 81 81 X T T 4 S+ 0 0 30 -33,-0.1 -1,-0.2 1,-0.1 5,-0.0 0.874 134.5 30.3 -91.7 -39.8 -6.1 17.4 -5.9 82 82 X Y T 4 S+ 0 0 37 -76,-0.1 2,-0.3 -7,-0.1 -2,-0.2 0.397 98.1 101.6-104.3 1.4 -8.9 16.4 -3.5 83 83 X G < - 0 0 0 -4,-1.7 3,-0.3 1,-0.1 -6,-0.2 -0.616 57.6-151.1-101.6 150.4 -12.0 17.7 -5.3 84 84 X V S S+ 0 0 0 -8,-2.4 2,-0.8 -2,-0.3 -6,-0.2 0.912 99.9 38.8 -72.4 -46.2 -14.7 16.1 -7.4 85 85 X A S > S- 0 0 0 -8,-3.2 3,-1.5 -9,-0.2 -1,-0.2 -0.791 72.2-179.3-112.5 88.5 -15.4 19.2 -9.5 86 86 X K T 3 S+ 0 0 9 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.511 77.4 42.4 -79.4 -5.9 -11.9 20.6 -10.0 87 87 X K T 3 S+ 0 0 84 -58,-2.9 -55,-0.5 2,-0.1 -1,-0.3 0.312 86.2 116.4-118.2 9.3 -13.0 23.7 -12.1 88 88 X T < - 0 0 0 -3,-1.5 2,-0.4 -59,-0.4 -54,-0.2 -0.299 68.5-113.7 -72.2 159.9 -16.1 24.8 -10.1 89 89 X Q E -c 34 0B 73 -56,-1.9 -54,-2.7 -59,-0.3 2,-0.4 -0.830 30.8-149.4 -90.7 134.0 -16.2 28.2 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.8 -36,-1.7 -2,-0.4 2,-0.5 -0.924 11.3-169.1-110.2 131.8 -16.4 27.8 -4.5 91 91 X F E -cd 36 54B 9 -56,-2.6 -54,-2.7 -2,-0.4 2,-0.4 -0.981 11.9-146.4-123.2 124.7 -18.2 30.3 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.7 -36,-2.5 -2,-0.5 -35,-1.5 -0.741 13.7-175.3 -98.2 134.0 -17.9 30.2 1.5 93 93 X V E -cd 38 57B 0 -56,-2.4 -54,-2.0 -2,-0.4 2,-1.3 -0.965 16.4-150.5-127.3 109.7 -20.6 31.1 4.0 94 94 X K E +cd 39 58B 4 -37,-2.7 -35,-1.6 -2,-0.5 -34,-0.2 -0.686 39.7 145.2 -91.7 92.8 -19.5 31.0 7.6 95 95 X V + 0 0 0 -56,-1.4 2,-0.4 -2,-1.3 -1,-0.2 0.539 61.5 67.0 -96.7 -13.5 -22.5 30.1 9.6 96 96 X L S S- 0 0 8 -57,-2.4 6,-0.2 -3,-0.2 -57,-0.1 -0.891 80.5-129.2-110.4 140.4 -20.4 28.1 12.1 97 97 X D > - 0 0 47 4,-3.4 3,-2.3 -2,-0.4 -2,-0.1 -0.013 43.3 -82.8 -74.5-175.3 -17.9 29.6 14.5 98 98 X D T 3 S+ 0 0 65 1,-0.3 -1,-0.1 2,-0.1 -58,-0.1 0.598 131.5 56.6 -73.7 -5.1 -14.3 28.3 14.9 99 99 X N T 3 S- 0 0 135 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.274 120.8-108.9 -95.6 5.7 -15.6 25.6 17.3 100 100 X G S < S+ 0 0 31 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.624 79.0 128.4 73.7 14.6 -17.9 24.3 14.6 101 101 X S + 0 0 69 -61,-0.0 -4,-3.4 2,-0.0 2,-0.3 -0.754 29.4 169.7-105.0 151.8 -21.0 25.6 16.4 102 102 X G - 0 0 29 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.975 34.2-115.0-159.0 142.3 -23.8 27.8 15.2 103 103 X Q >> - 0 0 108 -2,-0.3 4,-2.0 -8,-0.2 3,-0.9 -0.526 32.8-119.6 -72.6 143.1 -27.2 29.0 16.4 104 104 X Y H 3> S+ 0 0 70 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.834 113.0 58.7 -54.6 -34.4 -30.1 27.7 14.3 105 105 X S H 3> S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.859 106.8 46.8 -65.8 -34.9 -31.1 31.3 13.5 106 106 X T H <> S+ 0 0 18 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.878 111.0 51.9 -72.6 -42.1 -27.6 32.0 11.9 107 107 X I H X S+ 0 0 8 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.938 110.9 47.9 -59.1 -45.0 -27.7 28.8 10.0 108 108 X I H X S+ 0 0 31 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.899 109.6 52.5 -63.7 -42.5 -31.2 29.8 8.6 109 109 X A H X S+ 0 0 38 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.912 107.6 52.9 -59.6 -42.5 -29.9 33.2 7.7 110 110 X G H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.861 108.4 49.7 -60.6 -38.2 -27.0 31.7 5.8 111 111 X M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.923 111.9 46.7 -67.9 -43.2 -29.3 29.5 3.7 112 112 X D H X S+ 0 0 61 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.851 108.3 59.5 -65.4 -33.7 -31.6 32.4 2.8 113 113 X F H X S+ 0 0 46 -4,-2.2 4,-3.7 -5,-0.2 3,-0.3 0.932 106.0 45.8 -56.3 -50.6 -28.4 34.4 2.0 114 114 X V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.912 105.3 60.4 -63.3 -42.6 -27.3 31.8 -0.6 115 115 X A H < S+ 0 0 17 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 119.2 29.8 -53.9 -35.5 -30.8 31.7 -2.1 116 116 X S H >< S+ 0 0 75 -4,-1.4 3,-1.9 -3,-0.3 -2,-0.2 0.867 114.8 59.6 -85.5 -46.0 -30.4 35.5 -2.9 117 117 X D H >< S+ 0 0 7 -4,-3.7 3,-2.5 1,-0.3 4,-0.2 0.770 88.4 72.0 -63.0 -26.3 -26.7 35.7 -3.3 118 118 X K G >< S+ 0 0 33 -4,-2.2 3,-1.4 1,-0.3 -1,-0.3 0.825 90.2 63.3 -57.2 -27.7 -26.7 33.2 -6.3 119 119 X N G < S+ 0 0 121 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.610 100.2 53.5 -70.5 -9.6 -28.3 36.0 -8.2 120 120 X N G < S+ 0 0 121 -3,-2.5 2,-0.3 -4,-0.2 -1,-0.2 0.337 102.0 74.2-102.5 6.3 -25.1 38.0 -7.7 121 121 X R S < S- 0 0 73 -3,-1.4 2,-0.9 -4,-0.2 -87,-0.1 -0.788 80.5-118.8-122.0 157.9 -22.8 35.3 -9.0 122 122 X N + 0 0 148 -2,-0.3 -90,-0.1 -89,-0.1 -3,-0.1 -0.836 50.7 142.7 -99.3 102.5 -22.0 34.0 -12.4 123 123 X a > + 0 0 19 -2,-0.9 3,-1.3 -5,-0.2 -89,-0.2 -0.559 11.4 166.1-140.0 66.0 -23.0 30.3 -12.5 124 124 X P T 3 S+ 0 0 103 0, 0.0 -91,-0.2 0, 0.0 -1,-0.1 0.788 79.2 50.9 -60.5 -26.9 -24.4 29.6 -16.0 125 125 X K T 3 S- 0 0 111 -93,-2.9 -92,-0.2 1,-0.3 2,-0.2 0.631 122.2 -88.8 -88.9 -12.9 -24.2 25.8 -15.5 126 126 X G E < -b 33 0B 17 -3,-1.3 -92,-1.8 -94,-0.7 2,-0.4 -0.564 35.5 -88.8 129.3 172.6 -26.0 25.9 -12.2 127 127 X V E -be 34 153B 10 25,-0.5 27,-2.6 -94,-0.2 2,-0.3 -0.943 28.5-175.3-125.9 137.6 -25.7 26.3 -8.4 128 128 X V E -be 35 154B 0 -94,-2.3 -92,-2.9 -2,-0.4 2,-0.4 -0.917 9.7-155.8-126.5 151.5 -25.1 23.8 -5.6 129 129 X A E -be 36 155B 0 25,-2.7 27,-2.8 -2,-0.3 2,-0.6 -1.000 3.8-158.1-127.6 133.5 -25.0 24.2 -1.8 130 130 X S E -be 37 156B 0 -94,-2.9 -92,-2.1 -2,-0.4 2,-0.7 -0.961 8.9-171.4-110.3 116.4 -23.1 21.7 0.5 131 131 X L E +be 38 157B 0 25,-3.2 27,-1.9 -2,-0.6 2,-1.2 -0.860 9.0 177.0-114.0 96.6 -24.4 21.8 4.1 132 132 X S + 0 0 5 -94,-0.8 2,-0.3 -2,-0.7 92,-0.1 -0.569 51.4 88.0-102.2 70.1 -22.2 19.8 6.4 133 133 X L + 0 0 19 -2,-1.2 25,-0.3 25,-0.1 2,-0.3 -0.964 44.4 165.8-157.1 168.9 -24.0 20.6 9.5 134 134 X G + 0 0 59 -2,-0.3 2,-0.3 37,-0.1 3,-0.1 -0.957 8.6 170.2 179.4 157.4 -26.9 19.3 11.6 135 135 X G E -K 170 0C 23 35,-1.6 35,-2.4 -2,-0.3 37,-0.2 -0.855 52.7 -41.5-159.3-167.8 -28.7 19.4 14.9 136 136 X G E S-K 169 0C 42 -2,-0.3 33,-0.3 33,-0.2 34,-0.2 -0.114 82.8 -63.8 -65.4 162.8 -32.0 18.1 16.3 137 137 X Y + 0 0 137 31,-1.5 2,-0.3 32,-0.2 -1,-0.2 -0.220 58.7 167.0 -50.3 131.0 -35.2 18.3 14.4 138 138 X S > - 0 0 25 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.932 30.7-154.6-147.7 118.8 -36.4 21.9 13.6 139 139 X S H > S+ 0 0 76 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.851 99.3 55.8 -60.1 -33.2 -39.2 22.7 11.2 140 140 X S H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 108.0 46.3 -68.0 -41.2 -37.7 26.1 10.7 141 141 X V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.916 114.2 48.4 -66.0 -42.2 -34.3 24.7 9.7 142 142 X N H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.910 110.2 52.1 -62.7 -42.5 -35.9 22.2 7.4 143 143 X S H X S+ 0 0 51 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.872 107.1 52.0 -64.1 -37.3 -38.1 25.0 5.8 144 144 X A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.922 110.5 48.3 -64.0 -41.5 -35.0 27.2 5.2 145 145 X A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.913 110.9 51.6 -66.7 -40.2 -33.3 24.2 3.4 146 146 X A H X S+ 0 0 24 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.899 109.2 50.4 -62.3 -39.9 -36.5 23.7 1.4 147 147 X R H X S+ 0 0 97 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.927 108.8 51.6 -62.8 -44.0 -36.5 27.4 0.4 148 148 X L H <>S+ 0 0 0 -4,-2.3 5,-1.1 2,-0.2 4,-0.3 0.947 113.4 44.3 -60.3 -48.4 -32.9 27.2 -0.8 149 149 X Q H ><5S+ 0 0 29 -4,-2.4 3,-1.8 1,-0.2 4,-0.5 0.932 111.8 53.7 -57.1 -50.9 -33.7 24.1 -2.9 150 150 X S H 3<5S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.825 99.2 63.3 -52.3 -36.1 -36.9 25.8 -4.2 151 151 X S T 3<5S- 0 0 42 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.592 129.6 -90.0 -71.2 -9.7 -34.9 28.9 -5.3 152 152 X G T < 5S+ 0 0 36 -3,-1.8 -25,-0.5 -4,-0.3 2,-0.5 0.708 85.9 128.2 107.4 27.5 -32.9 26.7 -7.8 153 153 X V E < -e 127 0B 0 -5,-1.1 2,-0.9 -4,-0.5 -1,-0.3 -0.964 60.7-127.0-114.2 131.2 -30.0 25.5 -5.7 154 154 X M E -e 128 0B 1 -27,-2.6 -25,-2.7 -2,-0.5 2,-0.6 -0.672 33.0-154.3 -76.0 109.7 -29.1 21.8 -5.6 155 155 X V E -e 129 0B 0 -2,-0.9 23,-2.9 21,-0.2 2,-0.5 -0.781 16.2-176.9 -98.5 118.9 -29.0 21.4 -1.8 156 156 X A E -ef 130 178B 0 -27,-2.8 -25,-3.2 -2,-0.6 2,-0.3 -0.952 9.2-177.9-110.3 130.1 -26.9 18.5 -0.4 157 157 X V E -ef 131 179B 0 21,-2.8 23,-2.7 -2,-0.5 -25,-0.2 -0.937 30.1-106.1-132.1 147.7 -27.0 18.0 3.4 158 158 X A E - f 0 180B 6 -27,-1.9 14,-0.2 -25,-0.3 23,-0.2 -0.492 17.9-142.5 -70.4 136.7 -25.2 15.6 5.9 159 159 X A - 0 0 0 21,-2.5 -1,-0.1 -2,-0.2 22,-0.1 0.797 53.1-108.9 -64.0 -31.4 -27.4 12.8 7.3 160 160 X G - 0 0 14 20,-0.3 34,-2.4 34,-0.1 3,-0.3 -0.262 11.9-105.1 113.4 160.9 -25.6 13.2 10.6 161 161 X N S S+ 0 0 77 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.143 84.0 101.6-113.6 36.0 -23.1 11.1 12.7 162 162 X N S S- 0 0 82 2,-0.1 31,-0.2 -3,-0.1 -1,-0.2 0.379 83.7-124.7-101.9 -0.5 -25.3 9.7 15.4 163 163 X N S S+ 0 0 77 29,-2.3 2,-0.2 -3,-0.3 31,-0.2 0.918 78.7 111.0 50.1 46.4 -25.7 6.1 14.0 164 164 X A S S- 0 0 23 28,-0.3 31,-2.2 -4,-0.1 2,-0.4 -0.782 82.5 -67.0-140.3 172.8 -29.4 6.9 14.3 165 165 X D B > -l 195 0D 39 -2,-0.2 3,-1.5 29,-0.2 31,-0.2 -0.601 37.9-144.5 -71.9 122.5 -32.5 7.6 12.2 166 166 X A G > S+ 0 0 0 29,-3.2 3,-2.0 -2,-0.4 7,-0.2 0.603 86.8 87.5 -64.4 -13.6 -32.0 10.9 10.3 167 167 X R G 3 S+ 0 0 147 28,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.753 86.5 56.5 -54.0 -25.3 -35.8 11.7 10.7 168 168 X N G < S+ 0 0 100 -3,-1.5 -31,-1.5 -31,-0.1 2,-0.3 0.249 100.2 71.2 -93.0 12.5 -34.8 13.2 14.1 169 169 X Y E <> S-K 136 0C 57 -3,-2.0 4,-2.1 -33,-0.3 -33,-0.2 -0.914 76.9-103.5-130.9 155.4 -32.3 15.7 12.7 170 170 X S E 4 S+K 135 0C 1 -35,-2.4 -35,-1.6 -2,-0.3 -31,-0.1 -0.981 93.4 3.8-135.9 144.1 -32.4 18.9 10.6 171 171 X P T >4 S+ 0 0 1 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.972 122.3 71.2 -78.3 10.7 -31.9 19.7 7.8 172 172 X A T 34 S+ 0 0 3 1,-0.3 -2,-0.2 -37,-0.2 7,-0.1 0.865 96.4 54.3 -54.1 -36.5 -31.3 16.0 7.2 173 173 X S T 3< S+ 0 0 13 -4,-2.1 -1,-0.3 -7,-0.2 -3,-0.1 0.464 77.1 114.6 -82.2 -1.1 -35.0 15.2 7.6 174 174 X E X - 0 0 30 -3,-1.9 3,-1.3 1,-0.1 5,-0.1 -0.618 57.5-151.7 -75.2 116.1 -36.2 17.7 5.0 175 175 X P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.763 87.5 57.3 -58.1 -31.9 -37.7 15.7 2.1 176 176 X S T 3 S+ 0 0 59 2,-0.1 2,-0.2 0, 0.0 -21,-0.2 0.558 97.9 69.8 -88.3 -5.0 -37.0 18.1 -0.7 177 177 X V S < S- 0 0 2 -3,-1.3 2,-0.9 -6,-0.2 -21,-0.2 -0.649 92.3 -98.8-106.5 169.0 -33.2 18.3 -0.2 178 178 X b E -f 156 0B 0 -23,-2.9 -21,-2.8 -2,-0.2 2,-0.5 -0.751 35.3-160.0 -92.3 106.5 -30.5 15.6 -0.9 179 179 X T E -f 157 0B 0 -2,-0.9 21,-2.6 19,-0.4 22,-1.5 -0.753 10.0-156.3 -93.2 125.9 -29.7 13.8 2.4 180 180 X V E -fg 158 201B 0 -23,-2.7 -21,-2.5 -2,-0.5 -20,-0.3 -0.884 8.5-163.9-115.8 122.0 -26.3 12.1 2.2 181 181 X G E - g 0 202B 0 20,-2.8 22,-2.2 -2,-0.5 2,-0.4 -0.429 24.7-113.6 -91.1 172.9 -25.1 9.1 4.3 182 182 X A E - g 0 203B 0 12,-0.3 8,-2.6 20,-0.2 2,-0.3 -0.894 27.8-175.8-115.2 140.2 -21.4 8.1 4.7 183 183 X S E -Hg 189 204B 0 20,-2.1 22,-3.1 -2,-0.4 23,-1.6 -0.834 17.3-125.2-124.8 166.5 -19.6 4.9 3.5 184 184 X D > - 0 0 16 4,-2.7 3,-2.0 -2,-0.3 23,-0.1 -0.482 36.0 -90.0-107.5 178.4 -16.1 3.5 3.8 185 185 X R T 3 S+ 0 0 115 1,-0.3 -166,-0.5 21,-0.2 -1,-0.0 0.663 124.8 52.6 -59.7 -20.7 -13.4 2.2 1.5 186 186 X Y T 3 S- 0 0 155 2,-0.1 -1,-0.3 -168,-0.1 3,-0.1 0.122 120.8-104.4-105.8 18.0 -14.8 -1.3 1.7 187 187 X D S < S+ 0 0 11 -3,-2.0 75,-2.3 1,-0.2 2,-0.4 0.812 77.5 135.2 61.5 35.3 -18.3 -0.3 0.7 188 188 X R B -m 262 0E 122 73,-0.2 -4,-2.7 75,-0.1 -1,-0.2 -0.863 67.6 -98.7-104.1 144.6 -19.7 -0.6 4.3 189 189 X R B -H 183 0B 18 73,-2.4 -6,-0.3 -2,-0.4 75,-0.0 -0.422 50.9-102.6 -52.2 130.1 -21.9 2.0 5.8 190 190 X S > - 0 0 1 -8,-2.6 3,-1.4 1,-0.1 -8,-0.2 -0.370 29.5-120.9 -56.5 139.1 -19.7 4.2 8.0 191 191 X S T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.770 110.7 43.2 -58.7 -28.8 -20.2 3.2 11.6 192 192 X F T 3 S+ 0 0 43 -30,-0.1 -29,-2.3 -29,-0.1 -1,-0.3 0.551 86.9 120.7 -90.2 -12.1 -21.3 6.7 12.7 193 193 X S < - 0 0 0 -3,-1.4 -32,-0.2 -31,-0.2 -12,-0.1 -0.334 60.0-131.2 -65.0 130.4 -23.6 7.3 9.7 194 194 X N - 0 0 0 -34,-2.4 -12,-0.3 -31,-0.2 2,-0.2 -0.283 28.5-172.1 -63.3 163.6 -27.2 8.0 10.3 195 195 X Y B +l 165 0D 63 -31,-2.2 -29,-3.2 -36,-0.1 -28,-0.3 -0.683 20.6 116.7-143.1-169.3 -29.7 6.1 8.2 196 196 X G S > S- 0 0 2 -2,-0.2 3,-1.5 -31,-0.2 73,-0.5 -0.470 75.4 -66.5 123.3 165.0 -33.4 6.0 7.5 197 197 X S T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 70,-0.0 0.716 121.9 68.6 -61.1 -22.7 -36.0 6.6 4.9 198 198 X V T 3 S+ 0 0 20 -3,-0.2 -19,-0.4 -39,-0.0 -1,-0.3 0.673 77.8 101.0 -74.4 -17.4 -35.1 10.3 4.7 199 199 X L < - 0 0 3 -3,-1.5 70,-0.3 1,-0.1 -19,-0.2 -0.455 46.1-178.3 -65.5 139.2 -31.6 9.4 3.1 200 200 X D - 0 0 47 -21,-2.6 2,-0.3 1,-0.4 -20,-0.2 0.673 61.9 -7.1-106.3 -25.9 -31.4 9.8 -0.6 201 201 X I E -g 180 0B 0 -22,-1.5 -20,-2.8 68,-0.1 -1,-0.4 -0.979 56.1-126.3-167.5 154.7 -27.8 8.7 -1.3 202 202 X F E +gi 181 272B 0 69,-1.8 71,-2.8 -2,-0.3 -20,-0.2 -0.920 25.1 178.0-109.9 146.0 -24.4 7.5 0.2 203 203 X G E -g 182 0B 0 -22,-2.2 -20,-2.1 -2,-0.4 23,-0.2 -0.924 46.2 -69.6-135.8 166.1 -21.0 9.0 -0.6 204 204 X P E +g 183 0B 0 0, 0.0 25,-0.2 0, 0.0 -20,-0.2 -0.340 60.3 152.2 -56.5 122.9 -17.5 8.4 0.7 205 205 X G + 0 0 0 -22,-3.1 17,-2.5 -2,-0.1 2,-0.5 0.505 38.2 86.1-135.4 -8.0 -17.3 9.5 4.3 206 206 X T S S- 0 0 33 -23,-1.6 -21,-0.2 1,-0.2 15,-0.2 -0.892 103.7 -7.2-105.7 125.6 -14.6 7.5 6.2 207 207 X S S S- 0 0 53 -2,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.970 80.7-180.0 61.0 62.1 -11.0 8.6 6.2 208 208 X I E -N 220 0F 4 12,-3.0 12,-1.9 -3,-0.3 2,-0.4 -0.859 18.2-147.0-102.8 115.3 -11.3 11.4 3.6 209 209 X L E +N 219 0F 66 -2,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.678 39.0 132.0 -82.7 128.9 -8.1 13.3 2.6 210 210 X S E -N 218 0F 0 8,-2.2 8,-2.2 -2,-0.4 -138,-0.1 -0.922 54.5 -53.1-160.9-176.1 -8.7 17.0 1.8 211 211 X T E -N 217 0F 0 -139,-0.3 6,-0.3 -140,-0.3 2,-0.3 -0.193 46.5-173.3 -67.9 156.0 -7.4 20.5 2.4 212 212 X W E > -N 216 0F 26 4,-2.4 4,-0.8 -141,-0.1 3,-0.4 -0.931 33.4 -78.1-141.3 170.1 -7.0 22.0 5.8 213 213 X I T >4 S+ 0 0 37 -2,-0.3 3,-0.7 1,-0.2 -147,-0.1 -0.161 108.6 44.8 -69.2 165.1 -6.2 25.4 7.3 214 214 X G T 34 S- 0 0 70 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.779 132.0 -73.2 68.3 25.7 -2.6 26.7 7.4 215 215 X G T 34 S+ 0 0 40 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.760 105.1 116.8 65.8 26.5 -2.1 25.4 3.8 216 216 X S E << -N 212 0F 46 -4,-0.8 -4,-2.4 -3,-0.7 2,-0.3 -0.279 56.8-121.1-113.6-162.8 -2.1 21.8 4.8 217 217 X T E -N 211 0F 64 -6,-0.3 2,-0.3 -2,-0.1 -6,-0.2 -0.960 22.3-179.5-146.4 161.5 -4.0 18.6 4.4 218 218 X R E -N 210 0F 116 -8,-2.2 -8,-2.2 -2,-0.3 2,-0.5 -0.991 26.0-127.9-161.8 143.6 -5.8 16.2 6.7 219 219 X S E +N 209 0F 68 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.914 40.6 157.8-103.0 124.0 -7.8 12.9 6.7 220 220 X I E -N 208 0F 42 -12,-1.9 -12,-3.0 -2,-0.5 2,-0.3 -0.912 27.7-134.5-137.6 170.7 -11.1 13.1 8.6 221 221 X S + 0 0 57 -2,-0.3 2,-0.2 -14,-0.2 -15,-0.2 -0.936 39.6 105.6-129.3 146.8 -14.4 11.2 8.7 222 222 X G S >> S- 0 0 2 -17,-2.5 3,-1.4 -2,-0.3 4,-1.0 -0.830 74.7 -95.3 163.0 163.3 -18.1 12.3 8.8 223 223 X T H 3> S+ 0 0 2 1,-0.3 4,-2.2 -2,-0.2 -64,-0.1 0.706 122.9 71.1 -69.0 -19.2 -21.3 12.5 6.8 224 224 X S H 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.2 -92,-0.1 0.673 98.3 46.6 -63.5 -21.9 -19.9 16.1 6.5 225 225 X M H <> S+ 0 0 2 -3,-1.4 4,-0.6 -20,-0.2 -2,-0.2 0.724 110.7 50.6 -91.0 -30.0 -17.2 14.5 4.2 226 226 X A H >X S+ 0 0 0 -4,-1.0 4,-1.6 -23,-0.2 3,-0.7 0.878 101.6 63.8 -72.2 -40.8 -19.7 12.5 2.1 227 227 X T H 3X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.3 3,-0.3 0.922 99.7 49.9 -54.0 -51.1 -21.9 15.5 1.5 228 228 X P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.747 104.1 59.9 -65.7 -20.7 -19.4 17.5 -0.5 229 229 X H H S+ 0 0 3 -4,-2.8 5,-2.1 1,-0.2 6,-0.7 0.857 110.5 53.7 -69.3 -34.4 -23.2 16.7 -13.8 238 238 X M H ><5S+ 0 0 7 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.2 0.917 107.3 50.4 -67.8 -39.6 -24.8 20.1 -14.2 239 239 X T H 3<5S+ 0 0 12 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.907 107.4 54.8 -64.1 -36.6 -21.9 21.4 -16.2 240 240 X L T 3<5S- 0 0 54 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.614 114.3-122.6 -69.1 -9.7 -22.2 18.3 -18.4 241 241 X G T < 5S+ 0 0 65 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.645 77.1 124.3 77.1 16.9 -25.8 19.2 -19.0 242 242 X K S > - 0 0 81 -2,-0.3 4,-1.6 -3,-0.1 3,-0.7 -0.821 39.1 -96.4-131.3 170.2 -30.5 20.6 -13.2 245 245 X A T 34 S+ 0 0 11 -2,-0.3 4,-0.4 1,-0.3 -90,-0.2 0.875 121.4 55.5 -58.9 -38.4 -30.6 21.8 -9.6 246 246 X A T 34 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.806 122.8 22.7 -63.4 -33.1 -34.2 20.7 -9.3 247 247 X S T <> S+ 0 0 48 -3,-0.7 4,-2.5 2,-0.1 -1,-0.2 0.393 88.8 102.9-121.5 6.4 -33.5 17.1 -10.3 248 248 X A H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.873 83.5 51.4 -59.4 -41.3 -29.9 16.4 -9.6 249 249 X b H > S+ 0 0 25 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.949 113.7 45.2 -61.0 -48.7 -30.5 14.5 -6.4 250 250 X R H > S+ 0 0 196 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.885 113.2 50.5 -56.0 -44.8 -33.0 12.2 -8.3 251 251 X Y H X S+ 0 0 59 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.918 110.3 49.5 -64.0 -44.3 -30.6 11.9 -11.2 252 252 X I H < S+ 0 0 0 -4,-2.9 4,-0.5 2,-0.2 22,-0.3 0.886 113.8 45.8 -61.2 -43.7 -27.7 10.9 -8.8 253 253 X A H >< S+ 0 0 20 -4,-2.3 3,-0.9 -5,-0.2 -2,-0.2 0.929 112.0 51.5 -65.6 -44.1 -29.9 8.3 -7.1 254 254 X D H 3< S+ 0 0 108 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.833 117.8 38.5 -58.6 -35.2 -31.2 7.0 -10.5 255 255 X T T 3< S+ 0 0 28 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.350 94.2 119.0-101.7 7.5 -27.6 6.6 -11.8 256 256 X A S < S- 0 0 4 -3,-0.9 2,-0.5 -4,-0.5 17,-0.2 -0.117 78.0 -95.4 -70.1 161.5 -26.0 5.3 -8.5 257 257 X N E -J 272 0B 16 15,-2.5 15,-2.6 -242,-0.1 2,-0.4 -0.739 54.1-147.0 -72.1 126.8 -24.2 2.0 -7.8 258 258 X K E -J 271 0B 114 -2,-0.5 13,-0.2 13,-0.2 11,-0.0 -0.865 59.6 -1.1-115.6 133.5 -27.1 0.0 -6.4 259 259 X G S S+ 0 0 52 11,-2.6 -1,-0.2 -2,-0.4 12,-0.1 0.632 92.1 113.9 73.0 17.6 -27.2 -2.6 -3.7 260 260 X D + 0 0 75 10,-0.2 2,-0.3 -3,-0.2 -2,-0.1 0.578 49.9 89.6 -96.7 -12.1 -23.4 -2.6 -3.2 261 261 X L - 0 0 9 -4,-0.1 3,-0.3 -73,-0.1 -73,-0.2 -0.640 62.5-146.6 -90.0 144.8 -23.2 -1.3 0.3 262 262 X S B S+m 188 0E 59 -75,-2.3 -73,-2.4 -2,-0.3 -2,-0.1 -0.607 75.1 34.0-103.5 166.5 -23.2 -3.5 3.4 263 263 X N S S+ 0 0 105 1,-0.2 -1,-0.2 -2,-0.2 -75,-0.1 0.803 73.7 150.6 55.8 36.2 -24.6 -2.7 6.8 264 264 X I - 0 0 33 -3,-0.3 -1,-0.2 4,-0.1 3,-0.1 -0.867 48.1-122.2 -93.7 116.0 -27.5 -0.7 5.3 265 265 X P > - 0 0 35 0, 0.0 3,-2.2 0, 0.0 -69,-0.2 -0.226 38.2 -85.4 -59.1 146.2 -30.5 -1.0 7.7 266 266 X F T 3 S+ 0 0 221 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.278 117.9 24.8 -49.9 128.1 -33.7 -2.5 6.2 267 267 X G T 3 S+ 0 0 59 1,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.329 94.6 110.0 97.9 -7.5 -35.6 0.4 4.6 268 268 X T S < S- 0 0 15 -3,-2.2 -1,-0.4 1,-0.1 -71,-0.2 -0.780 78.6 -99.7 -95.6 142.9 -32.7 2.7 3.9 269 269 X V - 0 0 49 -73,-0.5 2,-0.7 -2,-0.3 -73,-0.1 -0.329 22.2-148.6 -61.0 143.1 -31.6 3.2 0.3 270 270 X N + 0 0 42 -6,-0.1 -11,-2.6 2,-0.0 2,-0.4 -0.767 50.8 129.4-112.2 79.3 -28.6 1.2 -0.9 271 271 X L E - J 0 258B 24 -2,-0.7 -69,-1.8 -13,-0.2 2,-0.4 -0.991 39.5-162.6-142.9 128.5 -27.2 3.6 -3.4 272 272 X L E -iJ 202 257B 0 -15,-2.6 -15,-2.5 -2,-0.4 -69,-0.2 -0.953 34.0-104.5-117.4 127.4 -23.7 5.0 -3.7 273 273 X A + 0 0 0 -71,-2.8 2,-0.3 -2,-0.4 -20,-0.1 -0.173 45.2 175.8 -52.6 138.9 -22.9 8.1 -5.7 274 274 X Y - 0 0 32 -22,-0.3 -260,-0.2 -260,-0.1 -261,-0.1 -0.998 31.8-150.1-152.6 133.8 -21.4 7.4 -9.1 275 275 X N - 0 0 8 -262,-3.0 -261,-0.1 -2,-0.3 3,-0.1 0.576 25.9-143.5 -88.4 -7.8 -20.4 9.6 -12.0 276 276 X N + 0 0 78 -263,-0.3 2,-0.4 1,-0.2 -262,-0.1 0.793 36.5 169.7 53.5 29.9 -21.0 7.0 -14.8 277 277 X Y - 0 0 42 -253,-0.2 2,-0.8 1,-0.0 -1,-0.2 -0.615 26.8-156.3 -76.6 127.5 -18.0 8.5 -16.6 278 278 X Q 0 0 66 -2,-0.4 -1,-0.0 -3,-0.1 -253,-0.0 -0.900 360.0 360.0-102.0 102.6 -16.9 6.4 -19.6 279 279 X A 0 0 120 -2,-0.8 -253,-0.1 -253,-0.0 -277,-0.0 -0.303 360.0 360.0 -63.2 360.0 -13.2 7.4 -20.0