==== 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 HYDROLASE 27-AUG-09 3IT0 . COMPND 2 MOLECULE: ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. HOLARCTI . AUTHOR H.SINGH,R.L.FELTS,T.J.REILLY,J.J.TANNER . 658 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 9.4 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 . 26 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 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 0 0 2 0 4 2 0 0 4 0 2 0 4 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 0 0 0 0 4 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 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 6 A S 0 0 109 0, 0.0 2,-0.4 0, 0.0 286,-0.3 0.000 360.0 360.0 360.0 130.3 7.6 7.1 25.6 2 7 A K E -A 286 0A 57 284,-2.5 284,-2.9 58,-0.0 2,-0.4 -0.956 360.0-115.7-123.3 140.7 4.9 8.9 23.6 3 8 A L E +A 285 0A 13 -2,-0.4 282,-0.3 55,-0.2 3,-0.1 -0.603 38.3 168.2 -69.1 126.3 5.0 10.5 20.2 4 9 A I E + 0 0 43 280,-2.9 2,-0.3 -2,-0.4 281,-0.2 0.546 57.1 11.8-119.0 -12.1 4.3 14.2 20.8 5 10 A F E -A 284 0A 0 279,-1.3 279,-2.7 2,-0.0 2,-0.4 -0.974 51.7-165.4-164.6 148.2 5.2 15.9 17.5 6 11 A V E -Ab 283 249A 0 242,-1.7 244,-1.8 -2,-0.3 2,-0.5 -0.998 5.1-162.8-136.2 135.0 6.0 15.2 13.8 7 12 A S E -Ab 282 250A 0 275,-2.1 275,-3.3 -2,-0.4 2,-0.4 -0.983 23.7-171.7-112.2 134.4 7.5 17.4 11.1 8 13 A M E -Ab 281 251A 0 242,-2.8 244,-3.4 -2,-0.5 2,-0.4 -0.938 20.0-167.5-130.8 143.5 6.9 16.1 7.6 9 14 A I E -Ab 280 252A 0 271,-2.4 271,-2.6 -2,-0.4 2,-0.3 -0.991 13.6-170.7-121.1 137.9 7.9 16.8 4.1 10 15 A T E -Ab 279 253A 0 242,-1.7 244,-2.4 -2,-0.4 2,-0.4 -0.935 21.1-135.9-117.8 152.4 6.3 15.3 1.0 11 16 A R E - b 0 254A 13 267,-2.8 266,-0.3 -2,-0.3 244,-0.3 -0.828 42.3-106.5 -87.9 146.8 7.1 15.2 -2.6 12 17 A H - 0 0 2 242,-1.3 265,-1.8 -2,-0.4 266,-0.3 -0.079 39.1 -97.7 -65.4 172.5 3.9 15.9 -4.7 13 18 A G - 0 0 0 66,-0.4 26,-0.2 263,-0.2 -1,-0.1 -0.139 62.7 -41.4 -86.5-177.5 2.1 13.2 -6.6 14 19 A D + 0 0 2 24,-0.2 22,-2.3 21,-0.1 25,-0.4 -0.106 68.0 177.4 -43.5 131.5 2.2 12.2 -10.2 15 20 A R B -H 35 0B 5 20,-0.3 20,-0.2 -3,-0.1 3,-0.1 -0.869 35.2 -95.5-132.9 167.6 2.3 15.2 -12.6 16 21 A A - 0 0 0 18,-2.0 15,-0.1 15,-0.4 16,-0.0 -0.382 58.9 -91.4 -69.7 162.7 2.5 16.0 -16.2 17 22 A P - 0 0 0 0, 0.0 16,-1.6 0, 0.0 17,-0.2 -0.216 18.9-134.3 -69.4 170.9 6.0 16.7 -17.4 18 23 A F S S+ 0 0 101 14,-0.2 2,-0.2 159,-0.2 14,-0.1 0.737 87.7 39.7 -87.8 -31.9 7.5 20.2 -17.4 19 24 A A S S- 0 0 29 158,-0.2 2,-0.4 159,-0.0 14,-0.1 -0.553 76.3-124.0-115.0 174.1 9.0 19.7 -20.9 20 25 A N - 0 0 95 -2,-0.2 2,-0.7 12,-0.0 3,-0.1 -0.945 18.4-127.4-117.8 141.3 8.0 18.2 -24.3 21 26 A I > - 0 0 7 -2,-0.4 3,-1.7 1,-0.2 5,-0.2 -0.827 25.1-143.7 -82.1 118.7 9.8 15.6 -26.3 22 27 A E T 3 S+ 0 0 130 -2,-0.7 144,-0.2 1,-0.3 -1,-0.2 0.840 93.8 44.6 -55.7 -39.7 10.1 17.3 -29.7 23 28 A N T 3 S+ 0 0 92 142,-2.2 171,-0.4 -3,-0.1 2,-0.3 0.289 103.0 76.9 -95.2 10.8 9.6 14.1 -31.7 24 29 A A < - 0 0 27 -3,-1.7 168,-0.0 141,-0.2 141,-0.0 -0.798 66.2-145.6-114.3 161.5 6.8 12.6 -29.7 25 30 A N + 0 0 106 -2,-0.3 2,-0.1 2,-0.1 -3,-0.1 -0.304 35.7 164.1-120.2 48.6 3.1 13.5 -29.7 26 31 A Y - 0 0 37 -5,-0.2 2,-0.4 164,-0.0 -2,-0.1 -0.412 19.4-166.5 -70.4 139.0 2.2 12.9 -26.1 27 32 A S - 0 0 89 -2,-0.1 -2,-0.1 1,-0.1 -1,-0.0 -0.999 1.4-167.8-124.5 132.3 -1.0 14.3 -24.6 28 33 A W - 0 0 32 -2,-0.4 3,-0.1 2,-0.3 -1,-0.1 0.578 32.8-121.9-101.7 -12.3 -1.4 14.3 -20.9 29 34 A G S S+ 0 0 84 1,-0.2 2,-0.3 7,-0.1 -2,-0.0 0.424 91.5 50.7 81.2 -5.0 -5.0 15.1 -20.0 30 35 A T S S- 0 0 19 366,-0.1 -2,-0.3 4,-0.1 -1,-0.2 -0.954 97.7 -77.8-151.2 172.2 -3.8 18.1 -18.0 31 36 A E > - 0 0 94 -2,-0.3 3,-2.0 1,-0.2 -15,-0.4 -0.299 64.9 -76.6 -70.0 155.0 -1.6 21.1 -18.3 32 37 A L T 3 S+ 0 0 63 1,-0.2 -14,-0.2 -14,-0.1 -1,-0.2 -0.224 116.3 8.3 -51.7 135.9 2.2 20.8 -18.0 33 38 A S T 3 S+ 0 0 30 -16,-1.6 46,-0.3 1,-0.2 -1,-0.2 0.385 97.1 131.1 74.2 -1.3 3.5 20.3 -14.5 34 39 A E < - 0 0 9 -3,-2.0 -18,-2.0 -17,-0.2 -1,-0.2 -0.525 66.7-101.3 -83.0 151.0 -0.1 19.9 -13.0 35 40 A L B -H 15 0B 3 -20,-0.2 -20,-0.3 -2,-0.2 -4,-0.1 -0.510 38.5-141.4 -69.7 134.7 -1.0 17.1 -10.7 36 41 A T > - 0 0 2 -22,-2.3 4,-2.2 -2,-0.2 5,-0.2 -0.426 27.8-101.7 -89.8 167.8 -2.9 14.3 -12.4 37 42 A P H > S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.909 127.3 54.9 -55.9 -40.5 -5.8 12.4 -11.0 38 43 A I H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -24,-0.2 0.902 107.1 50.3 -55.8 -41.1 -3.3 9.6 -10.3 39 44 A G H > S+ 0 0 0 -25,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.877 108.6 51.0 -67.9 -38.1 -1.1 12.1 -8.4 40 45 A M H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.920 111.0 49.5 -61.3 -43.7 -4.1 13.2 -6.3 41 46 A N H X S+ 0 0 37 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.866 107.6 53.8 -64.1 -38.4 -4.8 9.5 -5.6 42 47 A Q H X S+ 0 0 60 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.914 113.1 42.4 -64.5 -41.9 -1.2 8.9 -4.5 43 48 A E H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.896 112.6 53.5 -72.7 -39.8 -1.3 11.7 -2.1 44 49 A Y H X S+ 0 0 23 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.935 110.4 47.8 -56.9 -47.1 -4.8 10.8 -0.8 45 50 A N H X S+ 0 0 56 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.871 108.8 53.1 -65.6 -35.4 -3.5 7.3 -0.2 46 51 A L H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.918 107.6 53.2 -62.1 -42.3 -0.5 8.6 1.6 47 52 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.906 107.5 50.0 -55.3 -45.4 -2.9 10.6 3.8 48 53 A L H X S+ 0 0 35 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.901 111.1 49.7 -61.9 -39.9 -4.8 7.4 4.6 49 54 A Q H X S+ 0 0 116 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.896 109.0 51.5 -66.4 -38.9 -1.6 5.7 5.6 50 55 A L H X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.2 5,-0.5 0.821 107.2 54.2 -68.8 -30.7 -0.5 8.7 7.8 51 56 A R H X>S+ 0 0 35 -4,-1.9 5,-2.5 2,-0.2 4,-1.7 0.927 107.7 49.5 -65.7 -45.0 -3.9 8.5 9.5 52 57 A K H <>S+ 0 0 123 -4,-2.0 5,-1.6 3,-0.2 -2,-0.2 0.872 120.8 37.3 -62.7 -32.9 -3.3 4.8 10.3 53 58 A R H <>S+ 0 0 35 -4,-1.8 5,-2.5 3,-0.2 6,-0.3 0.969 127.1 28.0 -82.7 -59.0 0.1 5.7 11.6 54 59 A Y H <5S+ 0 0 0 -4,-2.9 7,-2.1 3,-0.2 6,-1.1 0.645 134.3 28.4 -87.8 -15.2 -0.2 9.0 13.5 55 60 A I T X5S+ 0 0 10 -4,-1.7 4,-0.5 -5,-0.5 -3,-0.2 0.794 130.2 30.0-101.8 -61.5 -3.9 8.7 14.5 56 61 A D T 4 - 0 0 72 -4,-0.1 3,-1.8 294,-0.0 4,-0.3 -0.870 27.3-111.4 -98.4 124.8 -8.4 20.1 15.8 67 72 A D T 3 S+ 0 0 37 -2,-0.5 47,-0.0 1,-0.3 297,-0.0 -0.298 100.2 11.7 -58.7 134.9 -8.1 23.6 14.6 68 73 A Q T 3 S+ 0 0 73 2,-0.2 -1,-0.3 1,-0.1 178,-0.1 0.632 95.5 112.1 72.0 17.8 -4.5 24.9 14.7 69 74 A S S < S+ 0 0 7 -3,-1.8 179,-3.2 1,-0.2 180,-1.4 0.712 75.6 40.6 -89.7 -24.5 -3.2 21.4 15.4 70 75 A I E -c 249 0A 3 -4,-0.3 2,-0.6 177,-0.2 -2,-0.2 -0.988 66.8-157.0-129.8 127.8 -1.4 21.1 12.0 71 76 A Y E -c 250 0A 43 178,-2.4 180,-2.8 -2,-0.4 2,-0.5 -0.906 15.0-169.9-100.7 123.8 0.6 23.8 10.2 72 77 A V E +c 251 0A 2 -2,-0.6 45,-2.5 43,-0.5 2,-0.4 -0.971 8.0 177.2-119.6 126.6 0.8 23.2 6.5 73 78 A L E -cd 252 117A 4 178,-2.8 180,-2.6 -2,-0.5 2,-0.3 -0.997 6.9-172.6-129.6 128.9 3.1 25.2 4.3 74 79 A S E -cd 253 118A 0 43,-2.7 45,-2.6 -2,-0.4 180,-0.2 -0.869 28.9-106.7-119.3 152.5 3.5 24.5 0.5 75 80 A S - 0 0 4 178,-1.8 2,-2.0 -2,-0.3 46,-0.1 -0.297 52.2 -91.3 -63.5 164.7 5.8 25.9 -2.2 76 81 A H S S+ 0 0 59 44,-0.4 2,-0.3 47,-0.1 -1,-0.1 -0.426 90.3 106.3 -85.2 63.2 4.0 28.2 -4.6 77 82 A T S > S- 0 0 18 -2,-2.0 4,-2.1 1,-0.1 5,-0.2 -0.995 71.9-128.9-138.3 148.0 3.0 25.6 -7.1 78 83 A N H > S+ 0 0 39 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.924 108.2 55.6 -59.3 -42.5 -0.4 24.1 -8.0 79 84 A R H > S+ 0 0 24 -46,-0.3 4,-1.7 1,-0.2 -66,-0.4 0.857 110.2 43.5 -63.6 -34.3 1.0 20.6 -7.8 80 85 A T H > S+ 0 0 0 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 116.0 47.0 -81.6 -33.4 2.3 21.0 -4.2 81 86 A V H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.961 115.7 44.9 -67.2 -48.7 -0.8 22.8 -3.0 82 87 A V H X S+ 0 0 6 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.866 111.6 54.4 -64.9 -34.7 -3.1 20.2 -4.6 83 88 A S H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.3 -1,-0.2 0.931 109.1 47.3 -62.1 -43.9 -0.9 17.5 -3.2 84 89 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.933 112.8 48.9 -62.4 -45.4 -1.2 18.8 0.3 85 90 A Q H X S+ 0 0 14 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.912 112.7 47.9 -59.8 -42.7 -5.0 19.1 -0.1 86 91 A S H X S+ 0 0 0 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.907 111.7 49.4 -66.6 -43.7 -5.2 15.6 -1.4 87 92 A L H >X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 3,-1.5 0.923 109.3 51.9 -58.8 -45.7 -3.1 14.2 1.4 88 93 A L H 3X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.778 100.5 63.0 -66.8 -23.5 -5.2 16.0 4.0 89 94 A M H 3< S+ 0 0 9 -4,-1.4 5,-0.4 -5,-0.2 -1,-0.3 0.697 110.5 40.1 -70.5 -20.4 -8.3 14.4 2.4 90 95 A G H << S+ 0 0 0 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.807 114.3 50.9 -90.9 -39.8 -6.8 11.1 3.4 91 96 A L H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.915 131.2 17.8 -66.0 -43.2 -5.5 12.2 6.8 92 97 A Y S < S- 0 0 0 -4,-2.6 20,-0.5 -5,-0.2 -1,-0.3 -0.779 97.5-168.7-128.7 85.6 -8.8 13.7 7.8 93 98 A P > - 0 0 15 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.116 33.7 -67.8 -79.8 167.2 -11.3 12.0 5.3 94 99 A A T 3 S+ 0 0 12 -5,-0.4 16,-0.2 1,-0.3 17,-0.2 -0.236 121.0 42.9 -44.8 137.2 -14.9 12.6 4.4 95 100 A G T 3 S+ 0 0 37 14,-1.3 -1,-0.3 15,-0.5 15,-0.2 0.114 102.5 70.8 102.4 -18.1 -17.0 11.7 7.4 96 101 A T S < S+ 0 0 16 -3,-2.1 -31,-0.2 14,-0.5 -2,-0.2 0.534 71.3 108.4-106.9 -9.4 -14.8 13.3 9.9 97 102 A G S S- 0 0 0 13,-2.5 15,-0.2 -4,-0.3 14,-0.1 -0.097 77.6 -70.1 -70.1 171.2 -15.4 17.0 9.1 98 103 A P - 0 0 24 0, 0.0 8,-2.7 0, 0.0 9,-0.5 -0.110 40.9-142.2 -70.1 155.9 -17.4 19.4 11.3 99 104 A L E -I 105 0C 68 6,-0.3 2,-0.3 7,-0.1 269,-0.1 -0.783 8.7-163.2-109.4 154.8 -21.1 19.4 12.0 100 105 A I E > -I 104 0C 35 4,-4.0 4,-2.2 -2,-0.3 3,-0.1 -0.785 61.6 -6.1-120.8 174.8 -23.6 22.2 12.5 101 106 A G T 4 S- 0 0 84 -2,-0.3 2,-1.1 1,-0.2 -2,-0.1 -0.046 130.8 -8.2 43.1-132.4 -27.1 22.1 14.0 102 107 A D T 4 S- 0 0 107 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 -0.653 127.5 -51.8 -98.5 78.5 -28.2 18.5 14.8 103 108 A G T 4 S+ 0 0 52 -2,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.769 94.4 148.0 62.8 25.7 -25.4 16.4 13.3 104 109 A D E < -I 100 0C 42 -4,-2.2 -4,-4.0 1,-0.0 -1,-0.2 -0.818 52.6-111.1 -91.1 130.9 -25.9 18.2 10.0 105 110 A P E -I 99 0C 55 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.333 8.5-142.7 -68.2 138.4 -22.6 18.4 8.1 106 111 A A S S+ 0 0 0 -8,-2.7 2,-0.3 1,-0.2 268,-0.2 0.874 95.9 18.7 -61.6 -38.6 -20.9 21.8 7.6 107 112 A I S > S- 0 0 1 -9,-0.5 3,-1.9 4,-0.2 4,-0.3 -0.981 106.8 -85.4-132.4 145.0 -19.9 20.6 4.2 108 113 A K G > S+ 0 0 101 -2,-0.3 3,-0.9 1,-0.3 316,-0.1 -0.156 116.3 15.1 -53.9 142.1 -21.5 17.8 2.2 109 114 A D G 3 S- 0 0 55 1,-0.2 -14,-1.3 -15,-0.1 -1,-0.3 0.616 123.0 -86.9 67.0 14.5 -19.9 14.4 3.0 110 115 A R G < - 0 0 69 -3,-1.9 -13,-2.5 -16,-0.2 -15,-0.5 0.912 64.2-171.8 50.9 48.5 -18.4 16.0 6.1 111 116 A F < - 0 0 4 -3,-0.9 -4,-0.2 -4,-0.3 -1,-0.1 -0.378 16.0-135.0 -62.4 150.2 -15.3 17.2 4.3 112 117 A Q - 0 0 9 -20,-0.5 2,-0.3 -15,-0.2 -20,-0.1 -0.904 10.7-152.8-115.0 105.5 -12.7 18.7 6.5 113 118 A P - 0 0 2 0, 0.0 299,-0.1 0, 0.0 257,-0.0 -0.564 14.5-177.4 -72.5 137.2 -11.0 21.9 5.4 114 119 A I - 0 0 4 -2,-0.3 -26,-0.1 297,-0.1 -2,-0.0 -0.983 30.3-112.8-136.8 123.2 -7.5 22.3 6.8 115 120 A P - 0 0 11 0, 0.0 -43,-0.5 0, 0.0 2,-0.5 -0.262 27.6-166.9 -66.7 140.2 -5.7 25.5 5.9 116 121 A I - 0 0 4 292,-0.1 2,-0.3 -45,-0.1 -43,-0.2 -0.995 4.8-158.7-123.6 123.5 -2.7 25.4 3.7 117 122 A M E -d 73 0A 6 -45,-2.5 -43,-2.7 -2,-0.5 2,-0.4 -0.725 9.2-145.8 -95.4 151.4 -0.4 28.4 3.4 118 123 A T E -d 74 0A 5 -2,-0.3 -43,-0.2 331,-0.2 -42,-0.1 -0.945 7.3-132.3-116.5 142.9 1.9 29.0 0.4 119 124 A L - 0 0 28 -45,-2.6 329,-0.2 -2,-0.4 2,-0.1 -0.282 42.0 -90.4 -67.7 169.2 5.3 30.6 0.3 120 125 A S > - 0 0 59 1,-0.1 3,-1.5 327,-0.1 -44,-0.4 -0.456 36.1-109.6 -75.8 160.9 5.9 33.2 -2.4 121 126 A A T 3 S+ 0 0 72 1,-0.3 -1,-0.1 -2,-0.1 -45,-0.1 0.834 119.6 53.0 -60.4 -30.9 7.2 31.9 -5.8 122 127 A D T 3 S+ 0 0 114 7,-0.1 -1,-0.3 6,-0.1 2,-0.1 0.445 81.6 118.2 -89.3 1.2 10.6 33.6 -5.0 123 128 A S < - 0 0 30 -3,-1.5 4,-0.3 1,-0.1 -47,-0.1 -0.425 49.7-160.7 -65.7 142.5 11.0 31.8 -1.6 124 129 A R + 0 0 135 4,-0.1 105,-0.2 1,-0.1 104,-0.1 0.286 67.6 94.4-102.9 7.9 14.0 29.5 -1.4 125 130 A L S S+ 0 0 22 1,-0.1 104,-0.3 2,-0.1 3,-0.1 0.936 97.5 17.8 -69.8 -50.1 12.7 27.6 1.6 126 131 A I S S- 0 0 0 1,-0.4 129,-0.4 -3,-0.1 2,-0.3 0.809 139.8 -2.8 -98.8 -34.1 11.0 24.6 0.0 127 132 A Q S S- 0 0 44 -4,-0.3 -1,-0.4 127,-0.1 -2,-0.1 -0.973 73.8-112.2-151.2 148.6 12.6 24.7 -3.4 128 133 A F - 0 0 20 -2,-0.3 -4,-0.1 -3,-0.1 -5,-0.1 -0.563 46.7 -98.1 -70.2 137.9 15.0 27.1 -5.1 129 134 A P >> - 0 0 29 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.309 45.2-105.2 -51.4 144.7 13.6 29.1 -7.9 130 135 A Y H 3> S+ 0 0 152 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.818 116.7 45.9 -52.5 -48.3 14.5 27.3 -11.1 131 136 A E H 3> S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.871 114.7 48.6 -65.0 -37.0 17.2 29.6 -12.4 132 137 A Q H <> S+ 0 0 72 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.876 110.6 51.8 -69.7 -38.7 18.8 29.8 -8.9 133 138 A Y H X S+ 0 0 16 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.942 110.9 46.9 -59.4 -50.0 18.7 26.0 -8.7 134 139 A L H X S+ 0 0 49 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.860 108.3 56.6 -62.7 -36.0 20.4 25.7 -12.0 135 140 A A H X S+ 0 0 58 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.894 106.4 49.6 -61.8 -40.7 23.0 28.3 -11.0 136 141 A V H X>S+ 0 0 13 -4,-1.9 4,-2.7 2,-0.2 5,-0.6 0.939 112.2 48.3 -63.2 -45.7 23.9 26.2 -8.0 137 142 A L H X>S+ 0 0 1 -4,-2.2 5,-2.7 1,-0.2 4,-1.9 0.923 110.8 50.2 -60.0 -45.7 24.2 23.1 -10.2 138 143 A K H <5S+ 0 0 61 -4,-2.8 5,-0.4 3,-0.2 -1,-0.2 0.903 116.9 41.7 -59.0 -41.3 26.4 24.9 -12.7 139 144 A K H <5S+ 0 0 152 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.896 132.6 14.4 -76.2 -43.3 28.7 26.2 -10.0 140 145 A Y H <5S+ 0 0 104 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.692 130.8 31.7-109.6 -25.1 29.1 23.1 -7.7 141 146 A V T >< S- 0 0 22 -3,-1.9 4,-2.7 1,-0.1 5,-0.2 -0.429 76.9-118.2 -70.2 150.0 32.6 18.1 -10.3 145 150 A P H > S+ 0 0 80 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.886 113.6 53.5 -57.6 -42.3 34.7 15.0 -11.2 146 151 A E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.901 112.5 44.2 -60.2 -42.1 31.8 12.7 -10.5 147 152 A W H > S+ 0 0 7 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.917 115.2 47.2 -69.9 -45.1 29.5 14.6 -12.9 148 153 A Q H X S+ 0 0 100 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.920 112.3 50.9 -61.3 -44.7 32.2 14.9 -15.6 149 154 A N H X S+ 0 0 109 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.914 112.0 45.0 -60.7 -46.0 33.1 11.2 -15.3 150 155 A K H X S+ 0 0 53 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.874 111.4 55.3 -66.4 -35.7 29.5 10.1 -15.7 151 156 A T H X S+ 0 0 34 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.931 106.4 49.8 -59.8 -46.7 29.1 12.5 -18.6 152 157 A K H < S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 109.9 52.6 -61.3 -37.7 32.0 11.0 -20.4 153 158 A E H < S+ 0 0 133 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.907 118.7 34.1 -60.4 -45.3 30.5 7.6 -19.8 154 159 A A H >< S+ 0 0 3 -4,-2.0 3,-2.4 1,-0.2 4,-0.4 0.663 93.6 91.8 -88.4 -18.7 27.2 8.5 -21.3 155 160 A A G >X S+ 0 0 40 -4,-2.3 3,-1.6 1,-0.3 4,-0.5 0.777 72.8 67.6 -52.0 -36.6 28.4 11.0 -24.0 156 161 A P G 34 S+ 0 0 102 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.650 101.9 50.7 -62.8 -11.4 28.7 8.4 -26.8 157 162 A N G <> S+ 0 0 33 -3,-2.4 4,-2.7 2,-0.1 5,-0.2 0.573 85.7 87.7 -96.9 -12.9 24.9 8.2 -26.7 158 163 A F H <> S+ 0 0 19 -3,-1.6 4,-2.8 -4,-0.4 5,-0.2 0.889 86.2 49.6 -57.0 -48.4 24.1 11.9 -26.9 159 164 A A H X S+ 0 0 75 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.937 114.1 46.1 -57.6 -49.2 24.1 12.2 -30.7 160 165 A K H > S+ 0 0 89 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.945 114.2 47.1 -57.8 -52.3 21.8 9.3 -31.1 161 166 A W H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.4 0.894 111.3 52.5 -60.7 -39.8 19.4 10.4 -28.4 162 167 A Q H X S+ 0 0 80 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.918 111.6 44.5 -62.9 -44.9 19.4 13.9 -29.8 163 168 A Q H < S+ 0 0 157 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.873 117.7 45.6 -70.6 -34.6 18.5 12.8 -33.4 164 169 A I H < S+ 0 0 34 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.954 124.3 30.8 -69.2 -49.7 15.8 10.4 -32.0 165 170 A L H < S- 0 0 0 -4,-3.0 -142,-2.2 -5,-0.2 -141,-0.2 0.769 90.5-140.3 -85.0 -27.8 14.2 12.7 -29.5 166 171 A G < + 0 0 23 -4,-2.4 -1,-0.1 -5,-0.4 -4,-0.1 -0.219 66.4 114.3 92.0 -42.2 14.8 16.0 -31.3 167 172 A N S S- 0 0 19 -2,-0.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.249 82.4 -93.2 -58.5 145.5 15.5 17.8 -28.0 168 173 A R - 0 0 152 -3,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.417 41.6-175.1 -59.1 131.2 19.1 19.0 -27.5 169 174 A I + 0 0 5 -2,-0.1 -7,-0.2 -3,-0.1 3,-0.1 -0.847 31.5 132.2-129.9 95.9 21.2 16.4 -25.8 170 175 A S S S+ 0 0 78 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.308 71.7 3.8-126.4 5.8 24.7 17.9 -25.1 171 176 A G S > S- 0 0 9 -3,-0.1 4,-1.4 -13,-0.1 3,-0.5 -0.973 85.0 -83.0-174.0 173.6 25.1 16.9 -21.4 172 177 A L H > S+ 0 0 4 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.814 121.8 63.9 -61.2 -31.3 23.7 15.1 -18.4 173 178 A N H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.924 104.4 45.9 -58.2 -42.7 21.5 18.1 -17.7 174 179 A D H > S+ 0 0 11 -3,-0.5 4,-2.0 2,-0.2 5,-0.2 0.819 109.8 54.6 -67.6 -34.1 19.8 17.6 -21.0 175 180 A V H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.938 107.9 49.3 -64.2 -46.5 19.4 13.9 -20.3 176 181 A I H X S+ 0 0 25 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.884 107.7 56.8 -58.3 -41.3 17.7 14.7 -17.0 177 182 A T H X S+ 0 0 56 -4,-1.8 4,-0.7 1,-0.2 -158,-0.2 0.930 115.6 33.4 -57.6 -50.4 15.4 17.1 -18.9 178 183 A V H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 3,-0.3 0.802 109.4 68.8 -78.2 -27.5 14.1 14.5 -21.3 179 184 A G H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.864 95.1 55.3 -57.2 -37.1 14.3 11.7 -18.7 180 185 A D H X S+ 0 0 23 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.895 105.7 51.2 -64.4 -38.1 11.5 13.3 -16.8 181 186 A V H X S+ 0 0 1 -4,-0.7 4,-2.9 -3,-0.3 -1,-0.2 0.913 110.6 49.0 -64.6 -40.6 9.3 13.2 -19.8 182 187 A L H X S+ 0 0 7 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.852 108.6 53.4 -68.7 -34.3 10.1 9.5 -20.2 183 188 A I H X S+ 0 0 54 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.939 112.4 44.1 -62.1 -47.9 9.3 8.9 -16.6 184 189 A V H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.917 112.7 52.7 -63.3 -43.9 5.9 10.5 -17.0 185 190 A A H ><>S+ 0 0 3 -4,-2.9 5,-2.7 1,-0.2 3,-0.5 0.935 111.7 45.5 -55.5 -49.1 5.3 8.7 -20.2 186 191 A Q H ><5S+ 0 0 69 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.905 109.1 55.5 -62.1 -42.0 6.1 5.3 -18.6 187 192 A A H 3<5S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.747 113.3 42.5 -64.4 -23.5 3.9 6.2 -15.6 188 193 A H T <<5S- 0 0 57 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.225 113.9-114.1-109.2 13.7 1.0 6.8 -17.9 189 194 A G T < 5 + 0 0 69 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.775 58.8 159.1 63.3 29.9 1.6 3.8 -20.2 190 195 A K < - 0 0 62 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.509 44.4-100.9 -83.2 153.5 2.4 5.9 -23.2 191 196 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.280 41.5 -96.4 -68.2 158.7 4.4 4.3 -26.1 192 197 A L - 0 0 65 1,-0.1 3,-0.1 4,-0.1 6,-0.1 -0.421 48.9 -92.3 -66.0 148.8 8.1 5.0 -26.5 193 198 A P > - 0 0 6 0, 0.0 3,-2.3 0, 0.0 -169,-0.1 -0.383 60.8 -84.5 -57.2 144.2 9.1 7.8 -28.9 194 199 A K T 3 S+ 0 0 189 -171,-0.4 3,-0.1 1,-0.3 -171,-0.0 -0.277 116.3 14.7 -56.7 132.5 9.7 6.2 -32.4 195 200 A G T 3 S+ 0 0 66 1,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.387 95.1 116.7 84.2 -5.9 13.2 4.9 -32.7 196 201 A L < - 0 0 5 -3,-2.3 -1,-0.2 -32,-0.1 -4,-0.1 -0.864 58.2-145.8 -95.9 109.9 13.9 5.0 -28.9 197 202 A S > - 0 0 51 -2,-0.8 4,-2.7 1,-0.1 5,-0.2 -0.239 22.8-114.1 -70.6 161.1 14.4 1.5 -27.7 198 203 A Q H > S+ 0 0 102 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.891 120.3 56.2 -61.1 -36.0 13.3 0.3 -24.3 199 204 A E H > S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 108.4 45.4 -60.2 -48.6 17.0 -0.1 -23.5 200 205 A D H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.920 113.2 50.3 -60.3 -46.0 17.7 3.5 -24.4 201 206 A A H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.926 110.3 50.1 -58.6 -45.2 14.7 4.7 -22.5 202 207 A D H X S+ 0 0 88 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.901 110.8 49.4 -60.5 -41.4 15.9 2.7 -19.4 203 208 A Q H X S+ 0 0 63 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.908 111.6 48.1 -66.2 -41.8 19.4 4.2 -19.7 204 209 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.931 114.0 46.8 -64.3 -44.4 18.1 7.8 -19.9 205 210 A I H X S+ 0 0 45 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.900 111.4 51.8 -64.2 -40.0 15.8 7.2 -17.0 206 211 A A H X S+ 0 0 58 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.886 109.4 49.6 -63.5 -39.7 18.6 5.6 -15.0 207 212 A L H X S+ 0 0 14 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.831 109.5 53.1 -67.5 -32.6 20.8 8.6 -15.7 208 213 A T H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.939 110.3 45.5 -67.9 -47.1 18.1 10.9 -14.6 209 214 A D H X S+ 0 0 60 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.941 116.2 47.2 -59.0 -48.2 17.7 9.1 -11.2 210 215 A W H X S+ 0 0 69 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.924 112.0 49.9 -58.8 -47.8 21.4 9.1 -10.8 211 216 A G H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.890 109.1 49.6 -63.3 -44.5 21.8 12.7 -11.7 212 217 A L H X S+ 0 0 22 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.927 116.5 42.6 -61.5 -45.1 19.1 14.0 -9.3 213 218 A A H >< S+ 0 0 2 -4,-2.0 3,-1.1 -5,-0.2 4,-0.3 0.897 110.0 57.1 -67.1 -39.9 20.6 12.1 -6.4 214 219 A Q H >< S+ 0 0 32 -4,-2.9 3,-1.5 1,-0.3 4,-0.5 0.863 95.6 65.8 -61.8 -36.0 24.2 13.0 -7.3 215 220 A Q H 3< S+ 0 0 2 -4,-1.8 3,-0.4 1,-0.3 -1,-0.3 0.816 107.6 39.6 -53.9 -34.2 23.4 16.7 -7.1 216 221 A F T << S+ 0 0 2 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.309 84.7 96.2-105.5 9.6 22.7 16.4 -3.4 217 222 A K S < S+ 0 0 83 -3,-1.5 2,-0.6 -4,-0.3 -1,-0.2 0.777 72.1 81.0 -65.9 -27.3 25.5 14.0 -2.6 218 223 A S S > S- 0 0 50 -4,-0.5 4,-2.7 -3,-0.4 5,-0.2 -0.741 72.0-156.0 -81.1 118.7 27.5 17.1 -1.6 219 224 A Q H > S+ 0 0 44 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.835 95.6 57.7 -62.8 -30.9 26.5 18.2 1.9 220 225 A K H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 108.9 42.6 -63.8 -49.4 27.6 21.7 0.8 221 226 A V H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.920 114.4 52.2 -62.1 -44.2 25.2 21.9 -2.1 222 227 A S H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.908 110.5 48.3 -58.5 -41.4 22.4 20.3 0.1 223 228 A Y H X S+ 0 0 51 -4,-2.5 4,-2.4 3,-0.2 5,-0.4 0.896 105.2 57.2 -69.5 -41.2 23.0 22.9 2.7 224 229 A I H < S+ 0 0 65 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.940 123.3 25.5 -51.6 -47.2 22.9 25.9 0.3 225 230 A M H < S+ 0 0 4 -4,-1.9 4,-0.2 -5,-0.1 -2,-0.2 0.804 137.1 27.4 -90.2 -30.0 19.5 24.8 -0.9 226 231 A G H X S+ 0 0 0 -4,-3.3 4,-2.6 -5,-0.3 -3,-0.2 0.445 88.1 94.6-118.1 -3.6 18.1 22.9 2.2 227 232 A G H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.881 87.8 51.6 -57.5 -40.7 19.9 24.4 5.2 228 233 A K H > S+ 0 0 87 -5,-0.4 4,-2.0 -4,-0.2 -1,-0.2 0.931 113.3 42.2 -65.8 -46.9 17.0 26.8 5.9 229 234 A L H > S+ 0 0 0 -104,-0.3 4,-2.7 -4,-0.2 5,-0.2 0.901 113.5 52.7 -67.4 -39.7 14.3 24.2 5.8 230 235 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.945 111.5 46.5 -61.8 -46.3 16.3 21.6 7.8 231 236 A N H X S+ 0 0 50 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.888 111.5 52.8 -60.1 -39.8 16.9 24.2 10.5 232 237 A R H X S+ 0 0 89 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.923 107.8 49.3 -65.1 -44.0 13.2 25.2 10.5 233 238 A M H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.912 112.2 47.8 -62.0 -42.7 12.0 21.6 11.0 234 239 A I H X S+ 0 0 5 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.895 109.8 53.5 -66.4 -36.8 14.4 21.1 13.9 235 240 A E H X S+ 0 0 55 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4,-2.9 1,-0.2 -2,-0.2 0.859 108.2 56.9 -63.2 -35.7 -5.2 51.3 12.1 465 140 B A H X S+ 0 0 56 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.903 106.2 49.4 -62.1 -42.1 -2.6 53.9 11.1 466 141 B V H X>S+ 0 0 15 -4,-1.9 4,-2.8 2,-0.2 5,-0.6 0.947 112.4 48.5 -60.9 -46.8 -4.7 54.8 8.0 467 142 B L H X>S+ 0 0 1 -4,-2.2 5,-2.6 1,-0.2 4,-2.0 0.925 110.7 50.0 -59.4 -46.5 -7.7 55.1 10.2 468 143 B K H <5S+ 0 0 62 -4,-2.9 5,-0.4 3,-0.2 -1,-0.2 0.898 117.2 41.5 -58.7 -40.3 -6.0 57.3 12.8 469 144 B K H <5S+ 0 0 153 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.890 132.7 14.7 -77.9 -41.4 -4.7 59.6 10.0 470 145 B Y H <5S+ 0 0 108 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.681 130.9 31.6-111.1 -25.2 -7.7 59.9 7.8 471 146 B V T >< S- 0 0 24 -3,-1.9 4,-2.6 1,-0.1 5,-0.2 -0.410 77.6-116.8 -69.3 150.8 -12.7 63.4 10.4 475 150 B P H > S+ 0 0 81 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.868 114.0 53.3 -59.8 -39.0 -15.8 65.5 11.3 476 151 B E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.895 111.8 45.0 -63.1 -41.0 -18.2 62.6 10.7 477 152 B W H > S+ 0 0 7 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.913 114.8 47.9 -69.6 -43.4 -16.3 60.3 13.0 478 153 B Q H X S+ 0 0 99 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.922 112.1 49.6 -62.3 -45.7 -16.0 63.0 15.7 479 154 B N H X S+ 0 0 113 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.912 112.5 45.8 -61.1 -46.1 -19.7 63.9 15.5 480 155 B K H X S+ 0 0 74 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.887 111.6 54.6 -64.6 -37.7 -20.8 60.3 15.8 481 156 B T H X S+ 0 0 33 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.931 107.6 49.0 -58.5 -47.3 -18.3 59.9 18.6 482 157 B K H < S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.1 50.4 -62.3 -37.5 -19.8 62.9 20.5 483 158 B E H < S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.881 119.0 36.9 -67.0 -38.0 -23.3 61.4 20.0 484 159 B A H >< S+ 0 0 1 -4,-2.1 3,-2.4 1,-0.2 4,-0.4 0.731 94.7 87.8 -86.1 -24.9 -22.3 58.0 21.3 485 160 B A G >X S+ 0 0 38 -4,-2.5 3,-1.7 1,-0.3 4,-0.5 0.745 72.8 68.6 -52.2 -36.0 -19.9 59.2 24.1 486 161 B P G 34 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.650 102.3 50.8 -62.2 -10.5 -22.4 59.6 26.9 487 162 B N G <> S+ 0 0 40 -3,-2.4 4,-2.6 2,-0.1 5,-0.2 0.577 85.9 87.3 -97.3 -13.9 -22.7 55.8 26.8 488 163 B F H <> S+ 0 0 20 -3,-1.7 4,-2.8 -4,-0.4 5,-0.2 0.886 85.7 50.4 -57.3 -47.8 -19.0 55.0 27.0 489 164 B A H X S+ 0 0 75 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.936 113.9 45.7 -58.0 -48.2 -18.6 55.0 30.8 490 165 B K H > S+ 0 0 88 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.941 113.8 47.9 -58.7 -52.0 -21.6 52.6 31.2 491 166 B W H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 5,-0.4 0.896 111.3 52.4 -59.9 -39.9 -20.4 50.3 28.5 492 167 B Q H X S+ 0 0 78 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.931 111.1 44.9 -61.5 -47.5 -16.9 50.2 29.9 493 168 B Q H < S+ 0 0 156 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.885 117.5 45.8 -67.5 -36.1 -18.1 49.3 33.4 494 169 B I H < S+ 0 0 33 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.949 123.6 31.1 -69.0 -49.3 -20.4 46.6 32.1 495 170 B L H < S- 0 0 0 -4,-2.9 -142,-2.4 -5,-0.2 -141,-0.2 0.793 90.3-140.5 -84.6 -29.5 -18.1 45.0 29.6 496 171 B G < + 0 0 37 -4,-2.5 -4,-0.1 -5,-0.4 -1,-0.1 -0.176 66.4 114.9 93.0 -39.1 -14.8 45.6 31.4 497 172 B N S S- 0 0 31 -6,-0.2 -1,-0.4 1,-0.1 -2,-0.2 -0.290 82.1 -93.4 -59.9 145.0 -13.1 46.4 28.1 498 173 B R - 0 0 156 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.389 42.0-176.1 -58.0 132.8 -11.8 49.9 27.6 499 174 B I + 0 0 5 -3,-0.1 -7,-0.2 1,-0.1 3,-0.1 -0.823 30.5 132.8-133.3 94.6 -14.4 52.0 25.9 500 175 B S S S+ 0 0 74 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.309 71.9 2.5-124.8 5.6 -12.9 55.5 25.2 501 176 B G S >> S- 0 0 9 -3,-0.1 4,-1.4 1,-0.1 3,-0.7 -0.972 85.5 -81.6-174.6 174.7 -13.9 56.0 21.5 502 177 B L H 3> S+ 0 0 6 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.828 121.7 64.3 -61.7 -32.2 -15.7 54.5 18.5 503 178 B N H 3> S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 104.4 45.9 -57.1 -39.7 -12.7 52.4 17.8 504 179 B D H <> S+ 0 0 11 -3,-0.7 4,-2.0 2,-0.2 5,-0.2 0.819 109.5 54.7 -71.2 -33.7 -13.3 50.6 21.1 505 180 B V H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.937 108.3 48.9 -64.2 -45.5 -17.0 50.2 20.4 506 181 B I H X S+ 0 0 24 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.887 107.6 56.9 -60.2 -40.5 -16.1 48.5 17.1 507 182 B T H X S+ 0 0 57 -4,-1.8 4,-0.7 -5,-0.2 -158,-0.2 0.936 116.3 32.7 -57.2 -50.4 -13.7 46.2 19.0 508 183 B V H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.781 109.3 69.4 -79.5 -26.2 -16.3 44.9 21.4 509 184 B G H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.876 95.1 55.4 -56.8 -38.4 -19.1 45.2 18.8 510 185 B D H X S+ 0 0 23 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.907 105.5 51.1 -63.0 -39.1 -17.5 42.3 16.9 511 186 B V H X S+ 0 0 1 -4,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.917 110.3 49.4 -64.4 -41.0 -17.6 40.1 19.9 512 187 B L H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.851 108.3 53.8 -67.6 -34.3 -21.3 40.9 20.4 513 188 B I H X S+ 0 0 53 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.936 112.0 44.3 -62.0 -47.4 -21.9 40.1 16.7 514 189 B V H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.917 112.4 52.6 -63.3 -44.2 -20.3 36.7 17.1 515 190 B A H ><>S+ 0 0 4 -4,-2.8 5,-2.8 1,-0.2 3,-0.5 0.927 111.9 45.4 -56.3 -47.8 -22.2 36.1 20.3 516 191 B Q H ><5S+ 0 0 67 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.901 109.5 55.1 -63.8 -41.1 -25.5 36.9 18.7 517 192 B A H 3<5S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.726 113.8 42.3 -65.5 -21.5 -24.6 34.8 15.7 518 193 B H T <<5S- 0 0 57 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.232 113.9-114.7-110.3 12.3 -24.0 31.8 18.0 519 194 B G T < 5 + 0 0 70 -3,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.786 58.3 159.4 62.4 30.9 -27.0 32.4 20.3 520 195 B K < - 0 0 63 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.523 44.6-101.2 -82.2 152.9 -25.0 33.3 23.3 521 196 B P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.308 42.0 -96.6 -68.0 156.8 -26.5 35.2 26.2 522 197 B L - 0 0 67 1,-0.1 3,-0.1 4,-0.1 6,-0.1 -0.385 48.6 -91.4 -65.0 149.7 -25.8 38.9 26.6 523 198 B P > - 0 0 6 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.378 60.7 -86.0 -56.1 144.2 -23.0 39.9 29.0 524 199 B K T 3 S+ 0 0 196 -171,-0.4 3,-0.1 1,-0.3 -171,-0.0 -0.301 115.8 16.0 -57.6 133.4 -24.6 40.5 32.4 525 200 B G T 3 S+ 0 0 66 1,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.339 94.8 115.4 86.1 -9.5 -25.9 44.0 32.7 526 201 B L < - 0 0 5 -3,-2.2 -1,-0.2 -32,-0.1 -4,-0.1 -0.848 59.3-145.5 -94.8 108.3 -25.8 44.7 29.0 527 202 B S > - 0 0 50 -2,-0.8 4,-2.5 1,-0.1 5,-0.2 -0.225 23.0-114.1 -68.0 161.7 -29.4 45.3 27.8 528 203 B Q H > S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.883 120.5 57.7 -61.8 -35.4 -30.5 44.1 24.4 529 204 B E H > S+ 0 0 158 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 107.2 45.2 -58.9 -48.2 -30.9 47.8 23.7 530 205 B D H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 112.7 50.9 -62.3 -45.4 -27.3 48.5 24.5 531 206 B A H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.923 110.0 50.1 -57.6 -45.5 -26.1 45.5 22.5 532 207 B D H X S+ 0 0 86 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.907 111.1 49.2 -60.1 -42.1 -28.1 46.7 19.5 533 208 B Q H X S+ 0 0 71 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 112.1 47.3 -64.4 -44.8 -26.6 50.2 19.8 534 209 B I H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.918 114.2 47.3 -63.2 -43.1 -23.1 48.9 20.0 535 210 B I H X S+ 0 0 45 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.900 111.1 51.5 -66.2 -40.3 -23.6 46.6 17.1 536 211 B A H X S+ 0 0 53 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.882 110.0 49.4 -62.9 -39.1 -25.2 49.4 15.1 537 212 B L H X S+ 0 0 8 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.835 109.5 53.1 -67.8 -33.4 -22.2 51.7 15.8 538 213 B T H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.941 110.9 44.6 -67.4 -47.5 -19.9 48.9 14.7 539 214 B D H X S+ 0 0 58 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.944 116.1 48.2 -59.7 -48.2 -21.7 48.4 11.4 540 215 B W H X S+ 0 0 67 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.925 111.3 50.4 -56.5 -49.0 -21.8 52.2 10.9 541 216 B G H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.884 108.9 49.3 -61.6 -45.0 -18.1 52.6 11.8 542 217 B L H X S+ 0 0 21 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.935 116.1 43.3 -61.8 -45.7 -16.8 49.9 9.4 543 218 B A H >< S+ 0 0 2 -4,-2.0 3,-1.2 -5,-0.2 4,-0.4 0.910 110.5 55.7 -65.4 -41.9 -18.8 51.4 6.5 544 219 B Q H >< S+ 0 0 30 -4,-3.0 3,-1.4 1,-0.3 4,-0.5 0.866 95.8 66.5 -61.4 -36.7 -17.9 55.0 7.4 545 220 B Q H 3< S+ 0 0 2 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.802 108.6 38.3 -51.8 -33.0 -14.2 54.2 7.2 546 221 B F T << S+ 0 0 1 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.354 84.4 95.3-108.4 6.1 -14.5 53.6 3.5 547 222 B K S < S+ 0 0 74 -3,-1.4 2,-0.6 -4,-0.4 -1,-0.2 0.773 72.7 82.9 -64.9 -25.2 -16.9 56.3 2.5 548 223 B S S > S- 0 0 51 -4,-0.5 4,-2.6 -3,-0.3 5,-0.2 -0.731 71.7-156.4 -78.9 118.9 -13.8 58.3 1.7 549 224 B Q H > S+ 0 0 37 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.836 94.8 57.8 -64.2 -30.2 -12.6 57.3 -1.8 550 225 B K H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.947 109.3 42.0 -64.1 -49.4 -9.1 58.4 -0.7 551 226 B V H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.919 114.5 52.5 -62.8 -44.1 -9.0 56.0 2.2 552 227 B S H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.915 110.2 48.6 -57.9 -42.1 -10.5 53.3 0.1 553 228 B Y H X S+ 0 0 52 -4,-2.5 4,-2.4 3,-0.2 5,-0.4 0.892 104.7 57.7 -68.2 -40.6 -7.9 53.8 -2.6 554 229 B I H < S+ 0 0 65 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.939 123.4 24.7 -52.6 -46.9 -5.0 53.7 -0.2 555 230 B M H < S+ 0 0 3 -4,-1.8 4,-0.2 -5,-0.1 -2,-0.2 0.807 136.9 29.0 -90.5 -29.4 -6.0 50.3 0.9 556 231 B G H X S+ 0 0 0 -4,-3.3 4,-2.6 -5,-0.3 -3,-0.2 0.465 88.3 93.5-116.2 -5.5 -7.9 49.0 -2.1 557 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