==== 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 LIGASE 04-JUL-01 1JJC . COMPND 2 MOLECULE: PHENYLALANYL-TRNA SYNTHETASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.G.SAFRO,R.FISHMAN,N.MOOR,V.ANKILOVA . 1052 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 21.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 82 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 5 0 1 0 2 3 2 2 3 1 2 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 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 PARALLEL BRIDGES PER LADDER . 7 6 7 1 8 5 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 3 1 1 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 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 85 A R 0 0 288 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.3 3.7 15.0 -21.0 2 86 A V - 0 0 112 4,-0.0 2,-1.4 0, 0.0 3,-0.0 -0.998 360.0-114.8-143.0 144.5 3.5 17.2 -18.0 3 87 A D > - 0 0 89 -2,-0.3 3,-1.4 1,-0.2 0, 0.0 -0.662 32.9-175.3 -78.4 96.9 1.4 20.3 -17.0 4 88 A V T 3 S+ 0 0 138 -2,-1.4 -1,-0.2 1,-0.3 0, 0.0 0.534 75.8 66.8 -72.7 -4.4 4.4 22.6 -16.8 5 89 A S T 3 S+ 0 0 101 2,-0.1 -1,-0.3 -3,-0.0 -2,-0.1 0.332 74.7 111.8 -98.3 7.2 2.0 25.3 -15.5 6 90 A L S < S- 0 0 74 -3,-1.4 -4,-0.0 1,-0.1 0, 0.0 -0.583 81.9 -95.6 -80.7 142.0 1.3 23.6 -12.2 7 91 A P - 0 0 77 0, 0.0 858,-0.3 0, 0.0 3,-0.1 -0.270 45.0-133.7 -56.4 138.7 2.7 25.2 -9.0 8 92 A G - 0 0 52 1,-0.2 854,-0.1 855,-0.1 -3,-0.0 -0.157 46.8 -42.5 -86.0-176.3 6.0 23.7 -8.0 9 93 A A - 0 0 58 1,-0.2 2,-2.2 854,-0.1 -1,-0.2 -0.171 62.0-117.7 -47.0 133.4 7.3 22.6 -4.6 10 94 A S + 0 0 26 852,-2.3 -1,-0.2 -3,-0.1 3,-0.1 -0.193 47.8 170.6 -74.0 48.9 6.3 25.1 -2.0 11 95 A L - 0 0 126 -2,-2.2 2,-0.2 1,-0.1 762,-0.1 -0.273 40.0-101.0 -57.5 147.3 9.8 26.1 -1.0 12 96 A F - 0 0 25 760,-0.2 2,-0.5 823,-0.0 -1,-0.1 -0.463 27.3-152.2 -77.1 145.1 9.8 29.1 1.3 13 97 A S - 0 0 74 -2,-0.2 823,-0.1 760,-0.1 758,-0.1 -0.967 17.6-155.4-118.4 118.1 10.5 32.6 0.1 14 98 A G - 0 0 14 756,-0.7 761,-0.3 -2,-0.5 2,-0.3 -0.091 9.3-168.0 -84.6-176.7 12.0 35.0 2.7 15 99 A G B -a 775 0A 4 759,-1.3 761,-2.4 754,-0.0 2,-0.4 -0.987 20.7-114.8-165.9 161.2 12.1 38.8 3.1 16 100 A L - 0 0 3 246,-0.4 249,-0.1 -2,-0.3 5,-0.1 -0.855 37.9-106.9-107.2 141.3 13.7 41.6 5.0 17 101 A H >> - 0 0 0 -2,-0.4 4,-1.8 1,-0.1 3,-0.8 -0.320 31.9-114.9 -62.2 144.1 11.8 43.9 7.4 18 102 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.770 116.1 55.0 -52.3 -31.2 11.2 47.5 6.0 19 103 A I H 3> S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.865 105.2 53.4 -71.7 -35.0 13.4 49.1 8.7 20 104 A T H <> S+ 0 0 5 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.917 111.7 46.1 -63.2 -43.3 16.2 46.8 7.7 21 105 A L H X S+ 0 0 5 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.950 114.5 45.3 -64.8 -49.2 15.8 48.0 4.1 22 106 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.871 115.1 48.5 -63.5 -36.5 15.6 51.7 5.0 23 107 A E H X S+ 0 0 15 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.911 109.9 53.2 -68.5 -41.7 18.5 51.3 7.3 24 108 A R H X S+ 0 0 60 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.918 110.2 45.8 -60.6 -45.5 20.5 49.5 4.6 25 109 A E H X S+ 0 0 57 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.910 112.8 50.3 -65.1 -41.5 19.9 52.2 2.1 26 110 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.929 112.9 47.0 -61.6 -43.4 20.8 55.0 4.6 27 111 A V H X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.863 111.5 50.7 -66.0 -37.4 24.0 53.1 5.4 28 112 A E H X S+ 0 0 105 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.912 108.3 53.4 -66.7 -41.5 24.8 52.6 1.8 29 113 A I H < S+ 0 0 23 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.940 115.0 39.2 -59.8 -47.6 24.3 56.3 1.1 30 114 A F H ><>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 3,-0.7 0.795 108.3 61.8 -75.8 -24.7 26.8 57.2 3.9 31 115 A R H ><5S+ 0 0 78 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.898 99.3 57.3 -64.4 -36.8 29.2 54.4 3.1 32 116 A A T 3<5S+ 0 0 88 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.743 105.4 52.5 -64.2 -21.6 29.6 56.0 -0.3 33 117 A L T < 5S- 0 0 39 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.313 129.9 -92.9 -96.7 7.1 30.7 59.2 1.6 34 118 A G T < 5S+ 0 0 39 -3,-1.9 77,-0.3 1,-0.3 2,-0.2 0.490 79.4 139.9 98.1 2.5 33.3 57.4 3.6 35 119 A Y < - 0 0 6 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.3 -0.569 38.0-151.4 -84.2 147.2 31.2 56.6 6.7 36 120 A Q E -h 112 0B 31 75,-1.9 77,-2.3 -2,-0.2 2,-0.5 -0.950 16.7-124.5-117.0 134.9 31.5 53.2 8.5 37 121 A A E +h 113 0B 0 -2,-0.4 722,-0.4 75,-0.2 2,-0.3 -0.677 35.4 165.2 -85.7 125.2 28.6 51.6 10.4 38 122 A V - 0 0 13 75,-1.4 2,-0.3 -2,-0.5 718,-0.1 -0.973 21.3-142.3-134.2 146.8 29.2 50.8 14.1 39 123 A E - 0 0 59 -2,-0.3 77,-0.1 75,-0.1 75,-0.0 -0.729 7.1-157.0-113.1 162.0 26.6 49.9 16.7 40 124 A G - 0 0 6 75,-0.4 2,-0.3 -2,-0.3 4,-0.1 -0.663 35.0 -79.2-122.9-179.6 26.1 50.6 20.4 41 125 A P - 0 0 24 0, 0.0 51,-0.2 0, 0.0 57,-0.0 -0.607 22.4-142.2 -87.1 144.5 24.2 48.9 23.2 42 126 A E S S+ 0 0 10 -2,-0.3 50,-2.5 1,-0.1 2,-0.6 0.841 94.0 61.7 -70.5 -33.0 20.4 49.4 23.7 43 127 A V E S+N 91 0C 0 48,-0.2 2,-0.2 46,-0.0 48,-0.2 -0.870 76.5 170.3 -96.7 118.3 20.9 49.4 27.5 44 128 A E E -N 90 0C 1 46,-2.1 46,-2.3 -2,-0.6 2,-0.2 -0.737 33.1-110.9-122.9 171.6 23.1 52.4 28.4 45 129 A S E > -N 89 0C 0 -2,-0.2 4,-2.1 44,-0.2 3,-0.3 -0.609 32.7-113.2 -97.6 162.1 24.1 54.2 31.6 46 130 A E H >>S+ 0 0 16 42,-1.3 4,-2.6 -2,-0.2 5,-1.5 0.848 113.8 65.9 -63.5 -31.2 23.0 57.7 32.3 47 131 A F H 4>S+ 0 0 57 39,-0.2 5,-3.9 3,-0.2 6,-0.4 0.910 109.6 32.2 -57.3 -48.7 26.6 58.8 31.9 48 132 A F H 45S+ 0 0 0 -3,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.928 121.9 47.5 -77.2 -44.0 26.8 58.0 28.1 49 133 A N H <5S- 0 0 0 -4,-2.1 -2,-0.2 3,-0.1 -3,-0.2 0.851 137.5 -6.8 -65.3 -36.4 23.1 58.7 27.3 50 134 A F T ><>S+ 0 0 0 -4,-2.6 5,-2.4 -5,-0.3 3,-0.8 0.713 124.6 51.7-124.4 -65.6 23.1 62.1 29.1 51 135 A D G > - 0 0 59 0, 0.0 3,-0.6 0, 0.0 6,-0.3 -0.216 27.3 -89.7 -70.9 165.6 22.7 67.2 33.2 57 141 A E T 3 S+ 0 0 62 1,-0.2 4,-0.1 4,-0.1 -7,-0.0 -0.399 101.7 22.3 -77.8 148.7 19.9 66.1 35.5 58 142 A H T 3 S+ 0 0 75 1,-0.2 -1,-0.2 -2,-0.1 553,-0.1 0.731 94.5 120.9 69.6 26.2 17.0 68.2 36.6 59 143 A H S X S- 0 0 82 -3,-0.6 3,-2.0 1,-0.1 4,-0.5 -0.952 74.2-118.1-124.9 142.5 17.3 70.6 33.7 60 144 A P G > S+ 0 0 20 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.768 108.8 67.4 -41.7 -37.1 14.8 71.5 30.9 61 145 A A G > S+ 0 0 7 1,-0.3 3,-1.5 2,-0.2 -4,-0.1 0.874 93.5 57.1 -57.3 -39.1 17.1 70.1 28.2 62 146 A R G X S+ 0 0 22 -3,-2.0 3,-1.4 -6,-0.3 -1,-0.3 0.658 88.7 75.1 -69.8 -13.7 16.7 66.5 29.5 63 147 A D G < S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.708 75.5 79.8 -70.0 -17.7 12.9 66.8 29.1 64 148 A M G < S+ 0 0 57 -3,-1.5 2,-0.4 -4,-0.4 -1,-0.3 0.545 96.5 48.7 -65.1 -6.5 13.5 66.4 25.3 65 149 A W S < S- 0 0 4 -3,-1.4 2,-1.1 -4,-0.1 -1,-0.2 -0.924 75.2-150.3-139.4 110.4 13.9 62.6 26.0 66 150 A D - 0 0 85 -2,-0.4 55,-2.4 27,-0.1 -3,-0.1 -0.703 30.5-146.3 -83.0 103.3 11.3 60.7 28.1 67 151 A T - 0 0 14 -2,-1.1 2,-0.6 53,-0.2 53,-0.1 -0.293 14.7-143.7 -75.5 155.0 13.5 58.0 29.6 68 152 A F - 0 0 0 23,-0.5 23,-1.0 51,-0.2 -1,-0.1 -0.867 28.3-152.1-111.0 89.4 12.6 54.4 30.4 69 153 A W B -O 90 0C 49 -2,-0.6 732,-2.1 21,-0.2 733,-0.7 -0.301 7.8-149.0 -72.9 152.1 14.6 53.7 33.6 70 154 A L E -P 800 0D 14 19,-2.0 2,-0.3 730,-0.2 19,-0.3 -0.806 12.1-169.7-120.0 160.9 15.7 50.2 34.6 71 155 A T E +P 799 0D 69 728,-2.1 728,-2.6 -2,-0.3 2,-0.1 -0.950 30.6 105.7-141.1 156.8 16.4 48.2 37.7 72 156 A G - 0 0 34 -2,-0.3 3,-0.4 726,-0.2 2,-0.2 -0.175 47.0-124.8 135.8 131.1 18.0 44.9 38.3 73 157 A E S S+ 0 0 181 1,-0.2 773,-0.1 -2,-0.1 3,-0.1 -0.628 84.6 44.5 -99.6 157.7 21.2 43.5 39.7 74 158 A G S S+ 0 0 42 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.206 77.1 127.2 97.5 -15.3 23.7 41.1 38.1 75 159 A F - 0 0 24 -3,-0.4 2,-0.6 722,-0.2 -1,-0.3 -0.645 47.3-153.0 -81.0 127.6 23.6 42.9 34.8 76 160 A R - 0 0 93 770,-3.2 2,-0.7 -2,-0.4 772,-0.5 -0.892 4.8-162.8-106.3 116.1 27.0 43.9 33.5 77 161 A L E -S 85 0E 8 -2,-0.6 8,-2.6 8,-0.6 2,-0.3 -0.874 13.3-148.1 -99.9 113.3 27.2 46.9 31.2 78 162 A E E -S 84 0E 94 -2,-0.7 6,-0.2 6,-0.2 5,-0.1 -0.599 9.5-144.1 -83.7 140.3 30.5 47.0 29.2 79 163 A G > - 0 0 5 4,-3.1 3,-1.8 -2,-0.3 -1,-0.1 -0.217 42.0 -71.6 -90.6-174.0 32.1 50.3 28.3 80 164 A P T 3 S+ 0 0 25 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.735 133.4 36.5 -49.3 -32.6 34.0 51.4 25.2 81 165 A L T 3 S- 0 0 77 2,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.216 121.2 -97.1-118.8 43.1 37.0 49.3 26.1 82 166 A G S < S+ 0 0 53 -3,-1.8 3,-0.1 1,-0.2 0, 0.0 0.283 81.1 139.6 64.6 -14.4 35.3 46.3 27.6 83 167 A E - 0 0 39 -5,-0.1 -4,-3.1 1,-0.1 2,-0.3 -0.324 62.9-107.8 -59.6 141.6 35.9 47.8 31.1 84 168 A E E -S 78 0E 105 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.556 41.6-164.3 -73.8 136.4 32.8 47.2 33.3 85 169 A V E -S 77 0E 21 -8,-2.6 -8,-0.6 -2,-0.3 2,-0.2 -0.795 5.9-156.5-119.5 162.3 31.0 50.5 33.8 86 170 A E + 0 0 162 -2,-0.3 -39,-0.2 -10,-0.1 2,-0.1 -0.579 31.8 108.5-123.9-171.4 28.3 51.6 36.3 87 171 A G S S- 0 0 47 -2,-0.2 2,-0.1 -42,-0.1 -2,-0.0 -0.290 76.9 -43.3 118.3 155.5 25.6 54.2 36.6 88 172 A R - 0 0 127 -2,-0.1 -42,-1.3 -43,-0.1 2,-0.1 -0.338 66.6-132.9 -54.1 118.1 21.8 54.3 36.5 89 173 A L E +N 45 0C 27 -19,-0.3 -19,-2.0 -44,-0.2 2,-0.3 -0.461 37.0 154.3 -77.2 150.2 20.8 52.0 33.7 90 174 A L E -NO 44 69C 0 -46,-2.3 -46,-2.1 -21,-0.2 2,-0.6 -0.930 48.7 -89.9-158.5 176.7 18.2 53.0 31.1 91 175 A L E -N 43 0C 0 -23,-1.0 -23,-0.5 -2,-0.3 -48,-0.2 -0.894 57.8-102.0-100.0 120.4 17.1 52.4 27.5 92 176 A R - 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0 0 47 -2,-0.4 3,-0.0 -637,-0.0 -605,-0.0 -0.931 58.9-101.8-178.3 154.7 41.3 63.0 4.8 747 480 B F - 0 0 197 -2,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.790 51.6-120.7 -85.1 118.0 43.0 59.6 5.4 748 481 B P - 0 0 51 0, 0.0 -638,-0.2 0, 0.0 4,-0.1 -0.288 34.5 -90.1 -61.7 147.1 41.2 58.2 8.4 749 482 B A > - 0 0 10 -640,-2.7 3,-2.0 -642,-0.3 4,-0.2 -0.277 41.7-110.0 -57.5 140.1 43.2 57.4 11.5 750 483 B P G > S+ 0 0 115 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.751 111.8 61.0 -41.5 -40.8 44.6 53.8 11.4 751 484 B D G 3 S+ 0 0 71 1,-0.3 -2,-0.1 -643,-0.1 0, 0.0 0.329 89.7 70.0 -80.1 13.9 42.4 52.4 14.2 752 485 B N G X S+ 0 0 2 -3,-2.0 3,-1.3 -643,-0.1 -1,-0.3 0.409 73.4 127.0-102.6 -1.3 39.2 53.1 12.3 753 486 B R T < S- 0 0 198 -3,-1.5 -4,-0.0 1,-0.3 0, 0.0 -0.337 84.5 -14.0 -60.9 130.4 40.1 50.3 9.9 754 487 B G T > S+ 0 0 45 1,-0.2 3,-1.9 -2,-0.1 -1,-0.3 0.701 84.3 143.9 49.4 24.6 37.5 47.7 9.3 755 488 B V T < + 0 0 31 -3,-1.3 4,-0.3 1,-0.3 -1,-0.2 0.635 67.0 61.2 -66.9 -10.7 35.7 48.9 12.3 756 489 B E T 3> S+ 0 0 25 -4,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.433 71.1 100.5 -96.7 0.2 32.5 48.0 10.4 757 490 B A H <> S+ 0 0 58 -3,-1.9 4,-3.0 1,-0.2 5,-0.2 0.938 80.7 51.5 -51.0 -52.4 33.2 44.3 10.0 758 491 B P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.937 111.6 45.3 -51.5 -54.0 30.8 43.4 12.8 759 492 B Y H > S+ 0 0 11 -722,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.892 115.0 48.3 -57.3 -43.3 27.9 45.3 11.4 760 493 B R H X S+ 0 0 89 -4,-2.4 4,-2.2 -723,-0.2 -1,-0.2 0.899 107.1 57.1 -64.4 -41.9 28.5 44.0 8.0 761 494 B K H X S+ 0 0 68 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.948 110.3 43.4 -55.0 -51.0 28.8 40.4 9.3 762 495 B E H X S+ 0 0 24 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.890 111.7 52.2 -64.8 -41.3 25.3 40.6 10.8 763 496 B Q H X S+ 0 0 21 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.858 106.9 53.7 -65.4 -32.5 23.7 42.3 7.9 764 497 B R H X S+ 0 0 149 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.936 107.4 53.0 -65.1 -43.1 25.0 39.6 5.5 765 498 B L H X S+ 0 0 15 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.915 108.6 48.0 -57.6 -47.7 23.5 37.0 7.8 766 499 B R H X S+ 0 0 23 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.935 112.5 50.0 -59.6 -45.6 20.1 38.6 7.7 767 500 B E H X S+ 0 0 49 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.907 110.8 47.9 -61.4 -43.7 20.3 38.8 3.9 768 501 B V H >X S+ 0 0 23 -4,-2.8 4,-3.4 1,-0.2 3,-0.6 0.961 111.0 51.8 -61.9 -48.0 21.3 35.2 3.5 769 502 B L H 3X>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.3 4,-1.3 0.894 108.9 50.6 -54.5 -41.6 18.4 34.2 5.8 770 503 B S H 3<5S+ 0 0 17 -4,-2.4 -756,-0.7 1,-0.2 -1,-0.3 0.807 115.5 43.3 -68.1 -27.8 16.0 36.2 3.7 771 504 B G H <<5S+ 0 0 64 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.844 106.5 59.0 -84.0 -35.9 17.3 34.4 0.6 772 505 B L H <5S- 0 0 41 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.801 129.7 -92.6 -61.9 -29.2 17.4 31.0 2.2 773 506 B G T <5S+ 0 0 2 -4,-1.3 -3,-0.2 1,-0.3 63,-0.2 0.228 81.9 130.4 137.0 -15.4 13.7 31.4 2.7 774 507 B F < - 0 0 0 -5,-1.9 -759,-1.3 -6,-0.2 2,-0.5 -0.431 48.3-137.3 -72.7 143.4 13.2 32.9 6.2 775 508 B Q E -ab 15 837A 12 61,-2.6 63,-2.2 -761,-0.3 -759,-0.2 -0.885 20.3-126.4-103.4 124.3 10.9 35.9 6.7 776 509 B E E - b 0 838A 0 -761,-2.4 2,-0.3 -2,-0.5 63,-0.2 -0.373 25.9-173.8 -73.3 145.1 12.2 38.7 9.0 777 510 B V - 0 0 0 61,-1.7 2,-0.5 -2,-0.1 63,-0.4 -0.965 15.3-146.2-135.6 149.7 10.1 40.0 11.9 778 511 B Y - 0 0 8 -527,-0.3 2,-0.4 -2,-0.3 -524,-0.2 -0.980 20.7-179.7-120.9 121.6 10.6 42.9 14.4 779 512 B T - 0 0 26 -2,-0.5 -526,-0.1 -526,-0.1 40,-0.1 -0.929 34.4 -95.8-122.2 147.3 9.4 42.5 17.9 780 513 B Y - 0 0 47 -2,-0.4 32,-0.1 -528,-0.3 38,-0.1 -0.168 25.5-128.1 -56.5 149.8 9.5 44.9 20.9 781 514 B S S S+ 0 0 0 30,-0.1 31,-2.5 2,-0.1 -1,-0.1 0.569 82.5 101.1 -76.5 -8.7 12.4 44.5 23.3 782 515 B F E -Q 811 0D 17 29,-0.2 2,-0.3 27,-0.0 29,-0.2 -0.431 56.1-163.2 -78.2 153.9 9.8 44.4 26.1 783 516 B M E -Q 810 0D 16 27,-2.3 27,-1.5 -2,-0.1 26,-0.2 -0.953 25.5-114.4-135.3 151.2 8.7 41.2 27.7 784 517 B D > - 0 0 27 -2,-0.3 3,-2.9 24,-0.2 4,-0.5 -0.802 22.4-142.6 -87.7 118.0 5.7 40.3 29.9 785 518 B P T > S+ 0 0 49 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.839 101.7 60.9 -46.9 -35.1 7.1 39.4 33.3 786 519 B E T >> S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 3,-1.1 0.705 89.1 69.9 -67.5 -21.7 4.4 36.7 33.4 787 520 B D H <> S+ 0 0 12 -3,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.663 78.7 75.3 -73.0 -16.0 5.8 35.0 30.3 788 521 B A H <4>S+ 0 0 13 -3,-1.2 5,-2.6 -4,-0.5 -1,-0.3 0.802 108.6 36.2 -63.2 -25.1 8.9 33.8 32.2 789 522 B R H X45S+ 0 0 131 -3,-1.1 3,-2.2 -4,-0.3 -2,-0.2 0.922 115.1 50.7 -88.9 -59.8 6.4 31.3 33.6 790 523 B R H 3<5S+ 0 0 62 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.818 121.4 36.7 -48.3 -37.2 4.1 30.7 30.6 791 524 B F T 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.328 111.4-121.6-100.9 5.3 7.2 29.9 28.5 792 525 B R T < 5 + 0 0 84 -3,-2.2 2,-0.3 1,-0.2 108,-0.3 0.974 62.1 121.0 53.3 81.6 9.2 28.2 31.2 793 526 B L < - 0 0 23 -5,-2.6 -1,-0.2 106,-0.1 -2,-0.1 -0.978 67.9 -71.1-165.6 154.6 12.4 30.1 31.6 794 527 B D - 0 0 137 -2,-0.3 3,-0.1 1,-0.1 19,-0.1 -0.120 63.1 -97.8 -48.1 143.0 14.5 32.1 34.2 795 528 B P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.209 48.3 -87.0 -63.2 155.9 12.9 35.4 35.1 796 529 B P - 0 0 18 0, 0.0 49,-0.1 0, 0.0 16,-0.1 -0.368 26.5-148.3 -65.2 141.9 14.2 38.6 33.4 797 530 B R S S+ 0 0 86 47,-0.5 2,-0.5 14,-0.2 -722,-0.2 0.741 81.3 56.0 -82.8 -24.3 17.2 40.3 35.0 798 531 B L - 0 0 0 13,-0.4 13,-2.1 46,-0.3 2,-0.3 -0.935 65.4-179.4-115.7 131.7 16.2 43.8 34.0 799 532 B L E -PR 71 810D 75 -728,-2.6 -728,-2.1 -2,-0.5 2,-0.5 -0.830 27.6-110.9-123.2 162.2 12.9 45.5 34.8 800 533 B L E -P 70 0D 11 9,-3.5 -730,-0.2 -2,-0.3 -731,-0.1 -0.832 9.8-161.7-100.6 125.7 11.3 48.8 34.1 801 534 B L S S+ 0 0 111 -732,-2.1 -1,-0.2 -2,-0.5 -731,-0.1 0.870 97.9 27.1 -66.7 -34.8 10.8 51.4 36.8 802 535 B N S S- 0 0 47 -733,-0.7 -1,-0.3 -3,-0.1 -733,-0.0 -0.591 86.4-179.1-129.2 70.8 8.3 53.1 34.5 803 536 B P - 0 0 42 0, 0.0 6,-0.2 0, 0.0 -734,-0.0 -0.166 36.5-126.7 -68.5 162.7 6.8 50.6 32.1 804 537 B L S S- 0 0 53 4,-0.5 5,-0.1 1,-0.4 3,-0.0 0.739 92.4 -19.0 -78.2 -25.6 4.3 51.4 29.3 805 538 B A S > S- 0 0 32 3,-0.1 3,-1.9 1,-0.0 -1,-0.4 -0.940 73.0 -98.2-171.1 160.9 2.1 48.6 30.7 806 539 B P G > S+ 0 0 88 0, 0.0 3,-1.1 0, 0.0 4,-0.1 0.771 120.4 64.7 -63.8 -22.3 2.6 45.6 33.0 807 540 B E G 3 S+ 0 0 108 1,-0.3 -20,-0.1 -23,-0.2 3,-0.1 0.571 111.4 37.2 -74.6 -7.5 2.8 43.4 29.9 808 541 B K G < S+ 0 0 70 -3,-1.9 -4,-0.5 -24,-0.1 -1,-0.3 -0.138 79.1 117.5-134.0 35.9 6.0 45.3 29.1 809 542 B A S < S+ 0 0 21 -3,-1.1 -9,-3.5 -26,-0.2 2,-0.3 0.515 73.1 45.1 -84.1 -6.0 7.5 45.8 32.5 810 543 B A E S-QR 783 799D 0 -27,-1.5 -27,-2.3 -11,-0.3 2,-0.5 -0.813 82.8-107.8-131.8 171.6 10.6 43.7 31.8 811 544 B L E -Q 782 0D 0 -13,-2.1 -13,-0.4 -2,-0.3 -29,-0.2 -0.892 46.2-101.1-104.5 130.7 13.3 43.3 29.1 812 545 B R - 0 0 10 -31,-2.5 32,-2.6 -2,-0.5 3,-0.1 -0.058 26.4-171.0 -50.7 143.7 13.2 40.1 27.0 813 546 B T S S+ 0 0 5 30,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.595 74.5 30.9-107.5 -23.5 15.6 37.2 27.8 814 547 B H - 0 0 28 1,-0.1 4,-0.3 28,-0.1 -1,-0.2 -0.909 60.5-146.7-134.6 162.4 14.7 35.2 24.7 815 548 B L S >> S+ 0 0 3 -2,-0.3 4,-1.4 2,-0.1 3,-0.5 0.792 89.6 67.0 -97.9 -35.5 13.6 35.9 21.1 816 549 B F H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.838 88.8 64.1 -58.6 -38.3 11.4 32.9 20.4 817 550 B P H 3> S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.931 106.2 45.9 -53.1 -45.5 8.7 33.8 22.9 818 551 B G H <> S+ 0 0 19 -3,-0.5 4,-1.2 -4,-0.3 -2,-0.2 0.879 110.0 53.8 -63.8 -39.0 7.9 36.8 20.9 819 552 B L H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.905 108.9 49.3 -62.3 -41.7 8.0 34.9 17.6 820 553 B V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.949 109.4 50.4 -62.7 -49.5 5.5 32.4 19.0 821 554 B R H X S+ 0 0 68 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.759 109.4 54.4 -60.4 -22.9 3.1 35.2 20.1 822 555 B V H X S+ 0 0 7 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.888 104.9 51.8 -76.4 -41.2 3.5 36.6 16.6 823 556 B L H X S+ 0 0 3 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.922 112.2 46.9 -59.7 -45.1 2.4 33.3 15.1 824 557 B K H X S+ 0 0 61 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.958 111.0 49.3 -62.3 -53.5 -0.7 33.3 17.3 825 558 B E H X S+ 0 0 112 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.835 114.2 48.7 -56.2 -33.1 -1.6 36.9 16.5 826 559 B N H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.952 107.0 52.9 -71.2 -51.0 -1.1 36.1 12.8 827 560 B L H < S+ 0 0 34 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.725 111.6 49.9 -56.4 -23.3 -3.3 32.9 13.0 828 561 B D H < S+ 0 0 103 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.916 118.5 33.1 -82.8 -48.6 -6.0 35.0 14.5 829 562 B L H < S+ 0 0 103 -4,-1.8 2,-0.2 -5,-0.2 -2,-0.2 0.955 137.3 9.0 -72.2 -52.8 -6.1 37.9 12.1 830 563 B D S < S- 0 0 29 -4,-2.8 -1,-0.1 -5,-0.2 -574,-0.0 -0.691 76.5-122.3-119.6 173.0 -5.2 35.9 9.0 831 564 B R - 0 0 200 -2,-0.2 -4,-0.2 -3,-0.1 -3,-0.0 -0.376 27.7-172.5-117.1 57.2 -5.0 32.1 8.6 832 565 B P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 26,-0.0 -0.242 17.1-150.6 -49.1 127.7 -1.4 31.5 7.4 833 566 B E S S- 0 0 147 1,-0.1 26,-1.0 25,-0.1 2,-0.3 0.629 76.7 -14.0 -76.0 -12.1 -1.4 27.8 6.6 834 567 B R E - C 0 858A 61 24,-0.3 24,-0.3 25,-0.1 2,-0.2 -0.932 63.9-160.5-168.2-175.3 2.3 27.9 7.5 835 568 B A E - C 0 857A 8 22,-2.3 22,-1.7 -2,-0.3 2,-0.5 -0.779 14.7-161.6 176.2 137.3 5.3 30.2 8.2 836 569 B L E + C 0 856A 6 -2,-0.2 -61,-2.6 20,-0.2 20,-0.2 -0.875 33.7 169.1-129.6 95.2 9.1 30.3 8.3 837 570 B L E -bC 775 855A 2 18,-1.6 18,-1.8 -2,-0.5 2,-0.3 -0.548 15.5-175.5-105.1 168.1 10.1 33.4 10.3 838 571 B F E -bC 776 854A 0 -63,-2.2 -61,-1.7 16,-0.2 2,-0.3 -0.971 1.0-172.9-158.5 152.0 13.3 34.8 11.8 839 572 B E E - C 0 853A 1 14,-2.2 14,-2.5 -2,-0.3 2,-0.4 -0.989 10.3-156.6-150.9 143.5 14.3 37.7 13.9 840 573 B V E + C 0 852A 3 -63,-0.4 2,-0.3 -2,-0.3 12,-0.2 -0.977 34.6 135.5-120.2 134.4 17.6 39.2 15.1 841 574 B G E - 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