==== 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 TRANSFERASE 14-NOV-08 2ZVQ . COMPND 2 MOLECULE: TYROSINE-ESTER SULFOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.TERAMOTO,Y.SAKAKIBARA,M.-C.LIU,M.SUIKO,M.KIMURA,Y.KAKUTA . 288 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 2 3 0 0 1 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 6 X D 0 0 148 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.4 52.7 -24.2 6.7 2 7 X V + 0 0 31 80,-0.1 3,-0.4 2,-0.1 16,-0.2 0.653 360.0 82.8 -75.5 -12.0 50.7 -20.9 6.1 3 8 X F S S+ 0 0 33 1,-0.2 140,-0.2 142,-0.0 141,-0.1 -0.452 82.8 18.3 -97.2 160.2 53.3 -19.1 8.4 4 9 X R S S+ 0 0 51 138,-2.6 142,-0.4 140,-0.4 -1,-0.2 0.634 81.1 149.6 61.9 22.1 56.7 -17.6 7.9 5 10 X R - 0 0 99 -3,-0.4 -1,-0.2 138,-0.4 2,-0.1 -0.349 53.2 -94.2 -80.0 161.7 56.5 -17.3 4.1 6 11 X E - 0 0 151 1,-0.1 11,-0.3 139,-0.1 -1,-0.1 -0.441 47.6-102.8 -66.8 148.0 58.1 -14.7 2.0 7 12 X L - 0 0 40 9,-0.1 2,-0.4 -2,-0.1 9,-0.2 -0.317 30.9-139.9 -69.0 156.6 56.1 -11.7 1.1 8 13 X V E -A 15 0A 62 7,-3.0 7,-2.6 5,-0.1 2,-0.2 -0.978 19.3-112.2-124.0 132.5 54.5 -11.4 -2.3 9 14 X D E -A 14 0A 107 -2,-0.4 2,-0.4 5,-0.2 7,-0.0 -0.443 30.5-177.7 -65.8 131.8 54.2 -8.1 -4.3 10 15 X V E > S-A 13 0A 9 3,-2.4 3,-2.2 -2,-0.2 10,-0.0 -0.969 76.1 -29.3-128.5 111.6 50.8 -6.7 -4.8 11 16 X E T 3 S- 0 0 105 -2,-0.4 96,-0.0 1,-0.3 -2,-0.0 0.848 129.4 -43.7 48.3 42.6 50.7 -3.5 -7.0 12 17 X G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 153,-0.0 -3,-0.1 0.328 120.3 102.9 91.9 -4.6 54.3 -2.7 -5.8 13 18 X I E < S-A 10 0A 12 -3,-2.2 -3,-2.4 152,-0.1 2,-0.5 -0.916 72.9-121.0-117.7 132.1 53.8 -3.4 -2.1 14 19 X P E +A 9 0A 19 0, 0.0 150,-2.8 0, 0.0 151,-0.4 -0.613 44.4 167.0 -72.6 119.1 55.0 -6.6 -0.2 15 20 X L E -A 8 0A 0 -7,-2.6 -7,-3.0 -2,-0.5 5,-0.0 -0.871 44.5 -74.8-126.3 164.1 51.9 -8.3 1.3 16 21 X F >> - 0 0 9 -2,-0.3 4,-2.2 -9,-0.2 3,-0.9 -0.272 46.1-117.5 -57.0 144.3 51.3 -11.7 2.9 17 22 X W H 3> S+ 0 0 32 -11,-0.3 4,-2.2 1,-0.3 -1,-0.1 0.820 113.6 52.3 -53.3 -36.3 51.1 -14.4 0.3 18 23 X S H 3> S+ 0 0 0 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.765 106.0 52.6 -81.8 -23.7 47.5 -15.2 1.2 19 24 X I H X4 S+ 0 0 0 -3,-0.9 3,-0.6 2,-0.2 -2,-0.2 0.939 111.0 48.3 -67.7 -48.1 46.4 -11.6 0.8 20 25 X A H >< S+ 0 0 24 -4,-2.2 3,-1.6 1,-0.2 4,-0.2 0.918 109.0 54.0 -55.6 -43.1 48.0 -11.6 -2.7 21 26 X E H 3< S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.800 118.1 35.0 -62.5 -29.8 46.2 -14.9 -3.5 22 27 X H T XX S+ 0 0 52 -4,-0.9 3,-1.0 -3,-0.6 4,-1.0 0.020 80.5 125.5-112.8 24.7 42.9 -13.3 -2.6 23 28 X W H X> + 0 0 22 -3,-1.6 4,-3.0 1,-0.3 3,-0.6 0.852 66.0 60.1 -60.6 -36.6 43.6 -9.8 -3.9 24 29 X S H 3> S+ 0 0 86 1,-0.3 4,-1.7 -4,-0.2 -1,-0.3 0.853 102.8 54.6 -61.3 -31.7 40.5 -9.6 -6.2 25 30 X Q H <4 S+ 0 0 47 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.817 111.8 43.8 -67.6 -35.6 38.3 -10.1 -3.1 26 31 X V H X< S+ 0 0 0 -4,-1.0 3,-2.0 -3,-0.6 -2,-0.2 0.937 111.6 52.5 -74.5 -48.5 39.9 -7.2 -1.4 27 32 X E H 3< S+ 0 0 90 -4,-3.0 84,-0.5 1,-0.3 85,-0.4 0.830 111.9 46.8 -56.7 -35.8 39.9 -4.9 -4.5 28 33 X S T 3< S+ 0 0 81 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.341 81.1 144.2 -91.0 8.7 36.2 -5.5 -4.9 29 34 X F < - 0 0 4 -3,-2.0 2,-0.8 1,-0.1 83,-0.4 -0.192 47.7-133.6 -52.2 132.8 35.3 -4.9 -1.3 30 35 X E - 0 0 149 58,-0.1 -1,-0.1 82,-0.1 2,-0.1 -0.825 22.9-166.3 -95.6 108.9 32.0 -3.2 -0.9 31 36 X A - 0 0 10 -2,-0.8 82,-0.0 4,-0.0 80,-0.0 -0.365 10.7-136.6 -81.3 170.5 32.1 -0.3 1.5 32 37 X R > - 0 0 67 -2,-0.1 3,-1.9 66,-0.1 84,-0.1 -0.944 22.5-114.1-128.8 149.2 29.1 1.5 3.0 33 38 X P T 3 S+ 0 0 91 0, 0.0 86,-0.4 0, 0.0 -1,-0.0 0.797 115.4 46.6 -54.7 -32.4 28.6 5.2 3.4 34 39 X D T 3 S+ 0 0 77 84,-0.1 2,-0.1 2,-0.1 -3,-0.0 0.347 82.6 121.0 -95.5 5.6 28.6 5.0 7.3 35 40 X D < - 0 0 1 -3,-1.9 84,-0.7 62,-0.1 2,-0.6 -0.419 53.8-147.2 -61.2 141.2 31.6 2.7 7.6 36 41 X I E -bc 99 119B 10 62,-2.5 64,-2.8 82,-0.1 2,-0.5 -0.973 12.6-153.1-109.6 121.8 34.4 4.2 9.6 37 42 X L E -bc 100 120B 0 82,-2.0 84,-3.2 -2,-0.6 2,-0.6 -0.843 5.7-158.9 -95.9 125.1 37.8 3.1 8.3 38 43 X I E -bc 101 121B 0 62,-3.6 64,-2.3 -2,-0.5 2,-0.4 -0.932 19.6-174.7 -99.9 118.1 40.8 3.0 10.8 39 44 X S E +bc 102 122B 0 82,-2.8 84,-2.0 -2,-0.6 2,-0.3 -0.955 11.8 151.2-122.6 128.0 43.9 3.1 8.6 40 45 X T E - c 0 123B 0 62,-1.8 84,-0.1 -2,-0.4 3,-0.1 -0.998 48.1-112.1-149.2 152.4 47.4 2.8 9.9 41 46 X Y S > S- 0 0 0 82,-0.7 3,-1.0 -2,-0.3 5,-0.2 -0.679 70.1 -77.6 -70.7 143.1 50.9 1.7 9.1 42 47 X P T 3 S+ 0 0 3 0, 0.0 92,-0.1 0, 0.0 -1,-0.1 -0.114 115.2 16.6 -47.2 139.9 51.5 -1.4 11.2 43 48 X K T 3 S+ 0 0 26 90,-0.1 90,-0.1 -3,-0.1 91,-0.1 0.637 89.2 115.0 79.1 22.1 52.3 -0.8 14.9 44 49 X S S < S- 0 0 0 -3,-1.0 144,-0.2 79,-0.1 -1,-0.1 0.393 99.9 -69.5-106.4 1.5 51.1 2.8 15.0 45 50 X G S > S+ 0 0 9 -4,-0.1 4,-2.4 78,-0.1 5,-0.3 0.600 81.9 141.3 118.0 24.0 48.1 2.5 17.4 46 51 X T H > S+ 0 0 8 -5,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 77.0 42.9 -60.0 -50.3 45.5 0.5 15.4 47 52 X T H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.912 113.2 53.7 -65.4 -42.4 44.3 -1.6 18.4 48 53 X W H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.952 114.3 39.7 -55.9 -54.0 44.2 1.4 20.7 49 54 X V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.863 112.4 56.4 -69.8 -33.0 42.1 3.5 18.3 50 55 X S H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.910 109.3 46.9 -61.3 -42.0 39.9 0.5 17.4 51 56 X E H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.912 110.5 52.6 -67.0 -43.2 39.1 -0.0 21.1 52 57 X I H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.939 111.3 47.2 -54.5 -48.6 38.4 3.7 21.5 53 58 X L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.918 111.9 48.4 -63.3 -43.2 36.0 3.6 18.6 54 59 X D H X S+ 0 0 4 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.902 111.2 51.8 -65.4 -36.3 34.2 0.5 19.8 55 60 X L H <>S+ 0 0 1 -4,-2.6 5,-3.2 2,-0.2 6,-0.4 0.919 110.0 49.1 -62.3 -43.2 33.9 2.1 23.2 56 61 X I H ><5S+ 0 0 8 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.938 110.1 50.8 -59.0 -47.4 32.4 5.2 21.7 57 62 X Y H 3<5S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.746 115.0 44.1 -64.4 -23.0 29.9 3.1 19.7 58 63 X N T ><5S- 0 0 33 -4,-1.3 3,-2.0 -3,-0.3 -1,-0.3 0.096 114.3-114.2-109.5 19.7 28.9 1.3 22.9 59 64 X N T < 5S- 0 0 87 -3,-1.7 -3,-0.2 1,-0.3 3,-0.1 0.833 72.8 -56.9 51.1 40.0 28.7 4.4 25.0 60 65 X G T 3 - 0 0 54 -3,-2.0 4,-1.8 -6,-0.4 -1,-0.2 -0.588 26.3-166.4 -78.0 105.3 30.1 -0.0 28.2 62 67 X A T 4 S+ 0 0 22 -2,-0.9 4,-0.3 1,-0.2 -1,-0.2 0.828 84.8 53.4 -63.3 -35.8 33.0 -2.3 29.0 63 68 X E T >4 S+ 0 0 137 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.916 107.0 50.7 -66.5 -42.9 31.0 -5.4 29.0 64 69 X K G >4 S+ 0 0 117 1,-0.3 3,-1.6 2,-0.2 -2,-0.2 0.883 106.4 56.1 -61.9 -36.6 29.6 -4.8 25.6 65 70 X C G 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.3 3,-0.3 0.530 101.1 59.9 -74.6 -4.2 33.1 -4.2 24.3 66 71 X K G < + 0 0 89 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.189 69.7 106.7-101.9 15.0 34.0 -7.7 25.6 67 72 X R S < S- 0 0 129 -3,-1.6 2,-0.3 1,-0.1 -1,-0.1 0.783 97.0 -15.1 -64.5 -27.1 31.4 -9.4 23.4 68 73 X D S S- 0 0 67 -3,-0.3 -1,-0.1 -4,-0.2 5,-0.0 -0.961 90.5 -67.0-162.8 172.0 34.3 -10.7 21.2 69 74 X A >> - 0 0 5 -2,-0.3 4,-2.3 1,-0.1 3,-2.2 -0.310 49.4-111.2 -65.3 152.8 38.0 -10.1 20.6 70 75 X I H 3> S+ 0 0 4 162,-2.1 4,-2.7 1,-0.3 -1,-0.1 0.839 116.8 60.7 -55.2 -34.7 39.0 -6.8 19.0 71 76 X Y H 34 S+ 0 0 39 1,-0.2 5,-0.5 2,-0.2 -1,-0.3 0.550 111.6 39.6 -75.1 -7.9 40.0 -8.6 15.7 72 77 X K H <4 S+ 0 0 94 -3,-2.2 -1,-0.2 3,-0.1 -2,-0.2 0.684 115.5 49.9-103.6 -33.7 36.4 -9.8 15.4 73 78 X R H < S+ 0 0 7 -4,-2.3 26,-0.4 1,-0.3 -2,-0.2 0.863 127.4 25.7 -68.6 -36.0 34.7 -6.6 16.6 74 79 X V S < S- 0 0 3 -4,-2.7 -1,-0.3 -5,-0.2 26,-0.2 -0.806 94.4-145.5-130.3 82.9 36.9 -4.5 14.2 75 80 X P - 0 0 0 0, 0.0 26,-2.7 0, 0.0 2,-1.1 -0.254 13.6-126.1 -61.3 140.0 37.8 -6.8 11.3 76 81 X F B > -d 101 0B 31 -5,-0.5 3,-1.0 1,-0.2 11,-0.3 -0.751 31.5-154.7 -81.1 96.4 41.2 -6.5 9.6 77 82 X M T 3 S+ 0 0 0 24,-2.3 11,-0.5 -2,-1.1 -1,-0.2 0.861 80.6 36.9 -50.5 -56.6 39.7 -6.1 6.1 78 83 X E T 3 S+ 0 0 0 23,-0.3 2,-0.8 9,-0.2 -1,-0.3 0.608 87.5 108.1 -80.6 -10.2 42.5 -7.3 3.8 79 84 X L < + 0 0 19 -3,-1.0 8,-2.4 7,-0.1 2,-0.4 -0.581 38.7 161.2 -76.2 108.6 43.8 -10.1 6.1 80 85 X I E +F 86 0C 3 -2,-0.8 6,-0.2 6,-0.2 -58,-0.1 -1.000 8.8 173.9-126.6 122.7 42.7 -13.4 4.5 81 86 X I E >> -F 85 0C 2 4,-2.7 3,-2.1 -2,-0.4 4,-2.0 -0.992 40.4-106.2-131.7 123.6 44.6 -16.6 5.6 82 87 X P T 34 S- 0 0 47 0, 0.0 -80,-0.1 0, 0.0 4,-0.1 -0.218 101.4 -0.2 -56.3 131.3 43.3 -19.9 4.3 83 88 X G T 34 S+ 0 0 88 1,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.159 131.4 62.2 83.4 -18.2 41.5 -21.9 7.0 84 89 X I T <4 S- 0 0 87 -3,-2.1 2,-0.3 1,-0.3 -1,-0.1 0.841 104.1 -12.1-113.1 -51.7 42.1 -19.1 9.6 85 90 X T E < -F 81 0C 38 -4,-2.0 -4,-2.7 4,-0.0 -1,-0.3 -0.993 35.2-168.2-157.6 154.1 40.5 -15.7 8.8 86 91 X N E > -F 80 0C 38 -2,-0.3 4,-2.5 -6,-0.2 -6,-0.2 -0.762 3.8-173.7-148.7 96.9 38.8 -13.7 6.1 87 92 X G H > S+ 0 0 0 -8,-2.4 4,-2.2 -11,-0.3 -9,-0.2 0.851 86.7 54.7 -62.4 -35.7 38.4 -10.0 7.0 88 93 X V H > S+ 0 0 3 -11,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.940 110.9 44.3 -64.7 -46.6 36.4 -9.3 3.8 89 94 X E H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.909 110.9 54.4 -64.5 -40.6 33.8 -12.1 4.7 90 95 X M H < S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.919 113.4 43.0 -59.1 -43.4 33.7 -10.9 8.3 91 96 X L H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.903 108.0 57.6 -69.7 -40.5 32.8 -7.4 7.2 92 97 X N H 3< S+ 0 0 67 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 112.1 44.3 -55.7 -34.9 30.3 -8.6 4.5 93 98 X N T 3< S+ 0 0 127 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.327 94.0 102.1 -92.7 4.3 28.5 -10.3 7.3 94 99 X M S < S- 0 0 37 -3,-1.8 4,-0.1 -5,-0.1 2,-0.1 -0.778 70.2-127.1 -96.9 128.2 28.7 -7.4 9.8 95 100 X P - 0 0 108 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.415 47.3 -68.3 -67.2 147.7 25.7 -5.1 10.4 96 101 X S S S+ 0 0 54 1,-0.1 -61,-0.1 2,-0.1 3,-0.0 -0.371 107.0 60.8 -67.1 156.1 26.2 -1.4 10.1 97 102 X P S S- 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.369 79.7-171.1 -81.8 128.2 27.6 0.8 11.4 98 103 X R - 0 0 1 -4,-0.1 -62,-2.5 -24,-0.0 2,-0.5 -0.595 21.0-151.7 -89.8 145.9 30.9 -1.0 10.7 99 104 X I E -b 36 0B 5 -26,-0.4 2,-0.4 -2,-0.3 -62,-0.2 -0.976 22.9-165.0-110.2 124.3 34.4 -0.2 12.0 100 105 X V E -b 37 0B 0 -64,-2.8 -62,-3.6 -2,-0.5 2,-0.4 -0.922 8.9-152.8-118.1 133.5 36.9 -1.4 9.5 101 106 X K E +bd 38 76B 17 -26,-2.7 -24,-2.3 -2,-0.4 -23,-0.3 -0.878 22.0 163.7-103.6 136.6 40.7 -1.9 10.1 102 107 X T E -b 39 0B 0 -64,-2.3 -62,-1.8 -2,-0.4 -26,-0.0 -0.990 31.4-171.7-142.0 156.0 43.3 -1.6 7.2 103 108 X H + 0 0 12 -2,-0.3 -64,-0.1 -64,-0.2 -1,-0.1 0.172 47.5 134.4-117.6 11.6 47.0 -1.2 6.8 104 109 X L - 0 0 0 1,-0.1 5,-0.1 -63,-0.1 -2,-0.1 -0.355 61.8-112.7 -68.4 138.2 46.8 -0.7 3.0 105 110 X P >> - 0 0 4 0, 0.0 3,-2.3 0, 0.0 4,-0.7 -0.342 39.5-103.6 -56.0 151.0 48.9 2.1 1.4 106 111 X V G >4 S+ 0 0 15 1,-0.3 3,-1.0 64,-0.2 -2,-0.1 0.828 120.0 56.4 -49.2 -43.2 46.5 4.7 -0.0 107 112 X Q G 34 S+ 0 0 105 1,-0.3 -1,-0.3 -96,-0.0 -3,-0.0 0.615 108.5 47.5 -73.3 -10.8 46.9 3.6 -3.6 108 113 X L G <4 S+ 0 0 6 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.478 80.1 120.3-105.4 -5.6 45.9 0.0 -2.7 109 114 X L S << S- 0 0 10 -3,-1.0 5,-0.1 -4,-0.7 -82,-0.0 -0.349 79.9 -96.1 -61.5 135.6 42.7 0.9 -0.8 110 115 X P > - 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0 0 12 0, 0.0 -140,-0.1 0, 0.0 -1,-0.1 -0.313 57.3 -76.2 -65.1 161.6 58.6 -13.8 7.4 146 151 X E - 0 0 136 -142,-0.4 -7,-0.1 1,-0.1 -8,-0.0 -0.421 40.9-147.9 -55.1 128.8 61.5 -14.2 9.9 147 152 X P - 0 0 11 0, 0.0 9,-0.2 0, 0.0 2,-0.2 0.752 24.0-153.0 -74.3 -20.1 62.7 -10.8 10.8 148 153 X G - 0 0 34 4,-0.1 2,-0.0 5,-0.1 -9,-0.0 -0.485 49.9 -17.0 76.4-157.3 66.3 -11.8 11.3 149 154 X T S > S- 0 0 64 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.318 71.2-105.0 -74.4 164.6 68.5 -9.7 13.7 150 155 X W H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.926 123.1 52.0 -53.5 -45.3 67.5 -6.3 14.8 151 156 X E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 111.4 46.1 -57.9 -45.9 70.2 -4.8 12.4 152 157 X E H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 114.2 47.9 -64.4 -43.2 68.9 -6.8 9.5 153 158 X F H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.902 108.1 54.3 -67.8 -40.6 65.3 -5.8 10.2 154 159 X L H X S+ 0 0 3 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.906 109.6 48.6 -58.6 -41.9 66.1 -2.2 10.6 155 160 X E H X S+ 0 0 85 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.908 110.8 49.9 -65.6 -41.6 67.7 -2.2 7.2 156 161 X K H <>S+ 0 0 113 -4,-2.2 5,-2.4 2,-0.2 4,-0.4 0.905 110.9 50.5 -62.4 -41.4 64.7 -3.9 5.7 157 162 X F H ><5S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 10,-0.4 0.925 109.1 49.9 -62.7 -45.1 62.4 -1.3 7.3 158 163 X M H 3<5S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.869 113.4 47.5 -61.7 -33.5 64.5 1.6 5.9 159 164 X A T 3<5S- 0 0 65 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.448 113.0-119.3 -85.2 -3.0 64.3 -0.0 2.5 160 165 X G T < 5S+ 0 0 3 -3,-1.3 2,-1.2 -4,-0.4 -3,-0.2 0.631 70.8 136.7 72.8 14.6 60.6 -0.6 2.7 161 166 X Q < + 0 0 111 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.1 -0.377 44.3 94.4 -92.8 55.6 61.1 -4.4 2.4 162 167 X V S > S- 0 0 1 -2,-1.2 3,-2.4 -5,-0.2 -9,-0.0 -0.903 91.4 -63.7-137.6 165.1 58.6 -5.2 5.1 163 168 X S T 3 S+ 0 0 0 -2,-0.3 -148,-0.2 1,-0.3 -3,-0.0 -0.271 123.8 15.5 -57.1 131.6 54.9 -6.2 5.1 164 169 X F T 3 S- 0 0 4 -150,-2.8 -1,-0.3 -123,-0.1 -149,-0.1 0.423 115.0-107.7 74.9 5.8 52.8 -3.2 3.8 165 170 X G < - 0 0 0 -3,-2.4 2,-0.2 -151,-0.4 -5,-0.2 -0.262 68.6 -2.0 82.8-164.9 55.8 -1.5 2.3 166 171 X P > - 0 0 30 0, 0.0 4,-1.7 0, 0.0 5,-0.1 -0.437 48.6-146.2 -71.7 137.2 57.7 1.6 3.4 167 172 X W H > S+ 0 0 0 -10,-0.4 4,-2.7 -2,-0.2 5,-0.3 0.894 97.4 60.3 -60.3 -40.8 56.5 3.6 6.4 168 173 X Y H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.936 109.2 39.0 -60.6 -51.9 57.7 6.8 4.7 169 174 X D H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.850 113.4 57.7 -65.2 -38.4 55.4 6.6 1.7 170 175 X H H X S+ 0 0 4 -4,-1.7 4,-2.0 1,-0.2 -64,-0.2 0.969 112.9 36.8 -58.2 -56.1 52.5 5.2 3.7 171 176 X V H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.883 118.4 50.9 -68.2 -36.8 52.3 8.2 6.1 172 177 X K H X S+ 0 0 31 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.913 112.7 43.8 -68.4 -43.1 53.2 10.8 3.4 173 178 X S H X S+ 0 0 48 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.869 113.3 50.4 -75.0 -34.4 50.6 9.6 0.9 174 179 X W H X S+ 0 0 0 -4,-2.0 4,-0.7 -5,-0.3 -1,-0.2 0.879 109.7 53.0 -66.4 -34.7 47.8 9.2 3.5 175 180 X W H >< S+ 0 0 37 -4,-1.8 3,-1.1 -5,-0.2 4,-0.2 0.940 109.5 47.2 -62.9 -47.9 48.7 12.8 4.7 176 181 X E H >< S+ 0 0 77 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.871 104.2 63.5 -60.7 -35.5 48.3 14.1 1.2 177 182 X K H >X S+ 0 0 48 -4,-1.9 3,-2.2 1,-0.3 4,-1.6 0.704 80.8 79.5 -63.7 -20.4 45.0 12.2 0.8 178 183 X R T << S+ 0 0 85 -3,-1.1 5,-0.4 -4,-0.7 -1,-0.3 0.708 85.5 63.1 -62.5 -15.7 43.4 14.3 3.6 179 184 X K T <4 S+ 0 0 137 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.628 110.6 36.6 -79.8 -16.7 43.0 17.0 1.0 180 185 X E T <4 S+ 0 0 123 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.694 122.6 25.3-108.6 -28.6 40.6 14.7 -1.0 181 186 X Y S < S- 0 0 63 -4,-1.6 2,-1.1 2,-0.0 -1,-0.2 -0.888 92.5 -86.0-136.9 163.6 38.6 12.8 1.6 182 187 X R + 0 0 110 -64,-0.3 -62,-2.4 -2,-0.3 2,-0.5 -0.638 59.4 163.3 -78.5 99.4 37.5 13.2 5.2 183 188 X I E -e 120 0B 16 -2,-1.1 2,-0.8 -5,-0.4 -62,-0.2 -0.972 31.6-154.7-125.8 112.8 40.5 11.9 7.0 184 189 X L E -e 121 0B 31 -64,-2.6 -62,-2.6 -2,-0.5 2,-0.7 -0.816 20.4-156.7 -82.7 112.9 41.1 12.6 10.7 185 190 X Y E -e 122 0B 23 -2,-0.8 2,-0.2 -64,-0.2 -62,-0.2 -0.847 16.8-179.7-104.6 108.6 44.9 12.3 10.9 186 191 X L E -e 123 0B 3 -64,-3.3 -62,-2.7 -2,-0.7 2,-0.4 -0.690 20.7-136.8-110.9 158.2 46.1 11.5 14.4 187 192 X F E >> -e 124 0B 31 -2,-0.2 4,-1.7 -64,-0.2 3,-0.8 -0.963 11.9-139.8-119.2 131.3 49.4 10.9 16.0 188 193 X Y H 3> S+ 0 0 14 -64,-3.1 4,-2.0 -2,-0.4 -63,-0.2 0.868 104.7 56.6 -50.0 -42.0 50.2 8.2 18.6 189 194 X E H 3> S+ 0 0 12 -65,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.824 103.9 52.0 -67.8 -30.9 52.3 10.6 20.6 190 195 X D H <> S+ 0 0 37 -3,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.877 108.3 51.8 -68.0 -39.5 49.5 13.1 20.9 191 196 X M H < S+ 0 0 4 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.854 111.1 48.8 -64.5 -35.7 47.3 10.2 22.2 192 197 X K H < S+ 0 0 84 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.913 116.5 41.9 -65.4 -43.8 50.0 9.4 24.8 193 198 X E H < S+ 0 0 133 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.894 137.8 3.2 -76.2 -42.3 50.4 13.0 25.9 194 199 X N X + 0 0 81 -4,-2.9 4,-1.9 -5,-0.1 -1,-0.2 -0.589 62.8 170.4-148.1 76.1 46.7 14.0 26.0 195 200 X P H > S+ 0 0 50 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.865 79.8 58.4 -62.0 -33.9 44.3 11.2 25.3 196 201 X K H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.949 106.5 48.4 -59.4 -46.2 41.2 13.2 26.4 197 202 X C H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 113.3 47.6 -58.8 -43.1 42.0 15.9 23.8 198 203 X E H X S+ 0 0 8 -4,-1.9 4,-1.9 -8,-0.2 -1,-0.2 0.903 110.3 50.0 -71.3 -39.1 42.5 13.3 21.0 199 204 X I H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.896 107.9 55.3 -65.2 -34.9 39.3 11.4 21.9 200 205 X Q H X S+ 0 0 91 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.900 105.4 52.5 -62.4 -37.7 37.5 14.7 21.8 201 206 X K H X S+ 0 0 85 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.912 109.5 49.2 -60.0 -43.5 38.8 15.2 18.2 202 207 X I H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.931 110.8 50.0 -61.3 -46.4 37.5 11.7 17.3 203 208 X L H <>S+ 0 0 11 -4,-2.7 5,-2.7 2,-0.2 4,-0.3 0.917 111.1 48.1 -60.2 -44.9 34.1 12.6 18.7 204 209 X K H ><5S+ 0 0 174 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.924 111.7 50.5 -58.8 -46.3 33.9 15.9 16.9 205 210 X F H 3<5S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.872 111.4 48.2 -60.7 -38.9 34.9 14.2 13.6 206 211 X L T 3<5S- 0 0 17 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.481 112.5-121.9 -79.9 -2.4 32.2 11.6 14.2 207 212 X E T < 5 + 0 0 155 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.912 64.9 141.8 58.9 45.3 29.6 14.3 14.9 208 213 X K < - 0 0 88 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.971 36.9-167.4-120.3 133.3 28.9 12.9 18.4 209 214 X D + 0 0 160 -2,-0.4 -5,-0.0 -3,-0.1 0, 0.0 -0.982 20.3 172.0-118.7 113.7 28.3 14.8 21.6 210 215 X I - 0 0 31 -2,-0.5 -2,-0.0 1,-0.1 2,-0.0 -0.818 37.5 -88.6-120.1 158.0 28.5 12.6 24.7 211 216 X P >> - 0 0 81 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.353 34.5-117.5 -63.3 147.5 28.4 13.4 28.4 212 217 X E H 3> S+ 0 0 96 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.859 115.2 58.9 -47.4 -40.9 31.7 14.1 30.2 213 218 X E H 3> S+ 0 0 162 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.873 106.7 45.9 -65.2 -34.3 31.1 11.0 32.3 214 219 X I H <> S+ 0 0 28 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.925 110.3 53.9 -73.0 -42.1 30.9 8.7 29.3 215 220 X L H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.927 108.4 50.1 -53.9 -44.8 34.1 10.4 27.8 216 221 X N H X S+ 0 0 69 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.854 108.2 52.7 -67.1 -32.2 35.8 9.6 31.1 217 222 X K H X S+ 0 0 90 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.895 110.3 48.2 -64.2 -43.2 34.7 5.9 30.9 218 223 X I H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.922 111.6 50.3 -65.4 -44.4 36.1 5.7 27.4 219 224 X L H < S+ 0 0 29 -4,-2.6 3,-0.5 -5,-0.2 4,-0.3 0.924 111.0 48.7 -57.1 -47.2 39.4 7.2 28.5 220 225 X Y H >< S+ 0 0 147 -4,-2.4 3,-1.1 1,-0.2 6,-0.3 0.930 113.0 45.9 -61.5 -46.3 39.7 4.9 31.5 221 226 X H H 3< S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.626 109.6 54.7 -77.9 -11.2 39.0 1.7 29.4 222 227 X S T 3< S+ 0 0 2 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.318 80.7 114.6-101.9 5.7 41.4 2.7 26.6 223 228 X S S <> S- 0 0 38 -3,-1.1 4,-3.0 -4,-0.3 5,-0.2 -0.428 76.7-118.2 -71.1 154.3 44.4 3.2 28.8 224 229 X F H > S+ 0 0 60 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.894 112.7 57.6 -59.3 -41.4 47.4 0.8 28.2 225 230 X S H > S+ 0 0 81 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.892 114.3 38.5 -61.5 -37.8 47.2 -0.5 31.8 226 231 X V H >> S+ 0 0 29 -6,-0.3 3,-0.8 -3,-0.2 4,-0.5 0.943 118.0 47.2 -75.8 -48.6 43.6 -1.6 31.2 227 232 X M H >< S+ 0 0 5 -4,-3.0 3,-1.1 1,-0.2 6,-0.3 0.863 103.7 62.0 -63.6 -35.7 43.9 -2.8 27.6 228 233 X K H 3< S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.3 23,-0.2 0.821 111.6 38.3 -62.5 -27.7 47.0 -4.8 28.3 229 234 X E H << S+ 0 0 136 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.422 92.9 101.7-100.2 -1.7 45.1 -7.0 30.8 230 235 X N XX - 0 0 11 -3,-1.1 3,-2.2 -4,-0.5 4,-1.9 -0.754 58.1-158.8 -88.6 109.4 41.9 -7.1 28.8 231 236 X P T 34 S+ 0 0 67 0, 0.0 6,-0.5 0, 0.0 4,-0.2 0.714 92.1 59.4 -64.1 -16.5 41.7 -10.5 26.9 232 237 X S T 34 S+ 0 0 18 1,-0.1 -162,-2.1 -163,-0.1 -161,-0.1 0.576 120.0 26.4 -82.5 -9.6 39.2 -8.9 24.5 233 238 X A T <4 S+ 0 0 0 -3,-2.2 -1,-0.1 -6,-0.3 -182,-0.1 0.544 108.3 68.1-123.7 -15.1 41.8 -6.3 23.4 234 239 X N S < S- 0 0 15 -4,-1.9 17,-0.4 17,-0.0 16,-0.4 0.311 94.7-120.6-102.6 8.7 45.3 -7.8 24.1 235 240 X Y S > S+ 0 0 12 -4,-0.2 3,-1.5 -5,-0.2 10,-0.1 0.487 75.0 126.1 69.9 7.4 45.3 -10.5 21.4 236 241 X T T 3 + 0 0 74 1,-0.3 -1,-0.1 -6,-0.2 -4,-0.1 0.628 67.0 63.1 -72.9 -10.1 45.8 -13.3 24.0 237 242 X T T 3 S+ 0 0 75 -6,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.554 79.5 114.3 -86.1 -10.1 42.8 -15.1 22.5 238 243 X M S < S- 0 0 23 -3,-1.5 5,-0.1 1,-0.1 0, 0.0 -0.304 85.4 -91.6 -54.7 141.5 44.6 -15.5 19.2 239 244 X M >> - 0 0 108 1,-0.1 4,-1.9 2,-0.1 3,-1.5 -0.300 33.9-124.8 -57.6 137.5 45.5 -19.0 18.2 240 245 X K T 34 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.805 109.9 61.2 -57.0 -33.0 48.9 -19.8 19.5 241 246 X E T 34 S+ 0 0 98 1,-0.2 -1,-0.3 -100,-0.1 3,-0.2 0.767 109.7 43.6 -63.5 -28.9 50.1 -20.8 16.0 242 247 X E T <4 S+ 0 0 30 -3,-1.5 -100,-1.7 1,-0.3 -99,-0.5 0.859 127.3 16.7 -84.9 -44.1 49.3 -17.2 14.9 243 248 X M B < -G 141 0D 16 -4,-1.9 2,-0.8 -102,-0.2 -1,-0.3 -0.970 57.0-164.1-139.3 124.8 50.8 -15.3 17.8 244 249 X D >> - 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0 0 64 -126,-0.1 2,-0.5 -31,-0.0 3,-0.3 -0.703 64.0-118.7-117.1 170.1 55.2 4.1 25.4 256 261 X S S S+ 0 0 43 -2,-0.2 32,-0.1 1,-0.1 -131,-0.0 -0.941 94.4 35.8-103.3 137.9 56.8 6.7 23.2 257 262 X G > + 0 0 18 -2,-0.5 3,-1.6 -131,-0.1 4,-0.3 0.519 63.9 130.1 102.5 7.3 60.6 6.7 23.0 258 263 X D T >> + 0 0 2 1,-0.3 3,-1.6 -3,-0.3 4,-0.7 0.741 60.1 81.7 -63.3 -19.1 61.3 3.0 23.2 259 264 X W H >> S+ 0 0 18 1,-0.3 4,-2.9 2,-0.2 3,-1.1 0.846 81.1 63.8 -53.1 -32.7 63.5 3.5 20.2 260 265 X K H <4 S+ 0 0 149 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.820 100.8 51.2 -63.8 -29.7 66.2 4.8 22.5 261 266 X N H <4 S+ 0 0 115 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.661 119.8 34.2 -76.9 -17.5 66.4 1.3 24.1 262 267 X Q H << S+ 0 0 34 -3,-1.1 2,-0.3 -4,-0.7 -2,-0.2 0.804 99.8 77.2-108.8 -43.2 66.8 -0.4 20.8 263 268 X F < - 0 0 16 -4,-2.9 2,-0.1 -5,-0.1 -1,-0.0 -0.576 69.3-136.8 -74.5 131.8 68.8 1.8 18.4 264 269 X T > - 0 0 68 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.462 32.7-107.6 -69.6 160.6 72.6 2.1 18.8 265 270 X V H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.914 122.6 49.9 -57.9 -41.9 73.8 5.7 18.5 266 271 X A H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 109.8 49.9 -64.3 -41.8 75.2 4.9 15.0 267 272 X Q H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 111.6 50.6 -61.8 -41.1 72.0 3.3 13.9 268 273 X Y H X S+ 0 0 86 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.946 110.5 46.9 -61.0 -50.8 70.1 6.4 15.1 269 274 X E H X S+ 0 0 125 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.912 115.1 46.8 -60.9 -41.8 72.4 8.8 13.2 270 275 X K H X S+ 0 0 112 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.913 112.0 50.8 -64.9 -43.0 72.2 6.8 10.0 271 276 X F H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.892 110.6 49.4 -61.6 -43.7 68.4 6.5 10.4 272 277 X E H X S+ 0 0 47 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.903 108.5 51.3 -64.9 -42.6 68.0 10.2 10.8 273 278 X E H X S+ 0 0 138 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.927 115.2 43.6 -60.1 -43.8 70.2 11.1 7.8 274 279 X D H X S+ 0 0 39 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.900 111.4 55.2 -65.7 -43.0 68.1 8.8 5.7 275 280 X Y H X S+ 0 0 40 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.906 103.1 54.0 -58.3 -46.9 64.8 10.1 7.2 276 281 X V H X S+ 0 0 93 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.910 109.3 48.9 -59.0 -41.9 65.5 13.7 6.4 277 282 X K H >< S+ 0 0 132 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.902 114.5 45.0 -63.1 -41.6 66.0 12.8 2.7 278 283 X K H 3< S+ 0 0 62 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.729 115.7 44.7 -77.3 -23.0 62.8 10.8 2.5 279 284 X M H >< S+ 0 0 16 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.381 81.9 97.6-105.8 3.7 60.6 13.2 4.4 280 285 X E T << S+ 0 0 155 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 0.742 78.3 58.6 -68.0 -25.0 61.6 16.5 2.7 281 286 X D T 3 S+ 0 0 121 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.151 100.9 72.4 -90.3 22.4 58.7 16.4 0.2 282 287 X S < - 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