==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAR-12 4E3W . COMPND 2 MOLECULE: ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. HOLARCTI . AUTHOR J.J.TANNER,T.A.PEMBERTON . 660 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 9.2 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 . 28 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.4 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 0 0 0 0 2 0 4 2 0 0 4 0 2 0 4 0 0 2 0 0 0 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 5 1 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 93 0, 0.0 2,-0.4 0, 0.0 286,-0.3 0.000 360.0 360.0 360.0 122.5 8.0 7.2 25.3 2 7 A K E -A 286 0A 60 284,-2.6 284,-2.8 58,-0.0 2,-0.3 -0.851 360.0-111.9-112.1 142.6 5.1 8.8 23.5 3 8 A L E +A 285 0A 14 -2,-0.4 282,-0.3 282,-0.2 3,-0.1 -0.555 39.5 166.9 -69.0 126.5 5.1 10.6 20.1 4 9 A I E + 0 0 43 280,-3.0 2,-0.3 1,-0.3 281,-0.2 0.553 58.0 11.9-119.4 -13.1 4.4 14.3 20.7 5 10 A F E -A 284 0A 2 279,-1.3 279,-2.8 2,-0.0 2,-0.4 -0.971 51.9-165.2-163.6 145.9 5.2 16.0 17.4 6 11 A V E -Ab 283 249A 0 242,-1.8 244,-1.7 -2,-0.3 2,-0.5 -1.000 5.1-162.4-133.0 136.4 6.0 15.3 13.7 7 12 A S E -Ab 282 250A 0 275,-2.3 275,-3.0 -2,-0.4 2,-0.3 -0.984 23.3-172.0-111.1 133.2 7.5 17.5 11.0 8 13 A M E -Ab 281 251A 0 242,-2.8 244,-3.2 -2,-0.5 2,-0.4 -0.926 20.0-167.6-129.3 143.6 6.9 16.2 7.5 9 14 A I E -Ab 280 252A 0 271,-2.3 271,-2.3 -2,-0.3 2,-0.3 -0.989 12.9-171.6-119.1 139.6 8.0 17.0 3.9 10 15 A T E -Ab 279 253A 0 242,-1.6 244,-2.4 -2,-0.4 2,-0.4 -0.933 20.6-135.7-119.5 153.2 6.3 15.5 0.8 11 16 A R E - b 0 254A 27 267,-2.4 244,-0.3 -2,-0.3 266,-0.2 -0.824 43.7-100.5 -87.5 147.4 7.2 15.5 -2.8 12 17 A N - 0 0 2 242,-1.3 265,-2.0 -2,-0.4 266,-0.3 -0.071 40.6-102.0 -58.0 165.8 4.1 16.2 -4.9 13 18 A G - 0 0 0 66,-0.4 26,-0.2 263,-0.2 -1,-0.1 -0.148 63.2 -42.3 -79.9-176.4 2.2 13.4 -6.7 14 19 A D + 0 0 2 24,-0.2 22,-2.3 21,-0.1 25,-0.4 -0.161 68.4 175.9 -47.3 132.8 2.3 12.4 -10.4 15 20 A R B -H 35 0B 11 20,-0.3 20,-0.2 -3,-0.1 17,-0.1 -0.867 35.6 -94.5-135.6 166.5 2.2 15.5 -12.7 16 21 A A - 0 0 0 18,-2.0 17,-0.1 15,-0.4 15,-0.1 -0.355 57.7 -92.0 -69.2 164.7 2.4 16.2 -16.4 17 22 A P - 0 0 0 0, 0.0 16,-1.8 0, 0.0 17,-0.2 -0.179 23.5-123.0 -71.1 176.2 6.0 17.1 -17.6 18 23 A F S S+ 0 0 53 14,-0.2 2,-0.3 159,-0.2 14,-0.1 0.712 89.7 6.9 -87.7 -25.2 7.3 20.7 -17.7 19 24 A A S S- 0 0 47 158,-0.2 2,-0.2 642,-0.0 -1,-0.1 -0.865 79.9 -98.2-148.3 178.0 8.1 20.5 -21.4 20 25 A N - 0 0 92 -2,-0.3 2,-0.6 -3,-0.1 161,-0.1 -0.658 22.5-119.2-105.5 156.9 7.7 18.3 -24.5 21 26 A I > - 0 0 4 -2,-0.2 3,-1.5 1,-0.1 5,-0.2 -0.871 31.5-140.0 -85.5 124.3 9.8 15.8 -26.4 22 27 A E T 3 S+ 0 0 133 -2,-0.6 144,-0.2 1,-0.3 -1,-0.1 0.848 95.0 45.6 -59.2 -39.1 10.0 17.4 -29.8 23 28 A N T 3 S+ 0 0 89 142,-2.3 171,-0.4 -3,-0.1 2,-0.3 0.275 103.7 73.4 -95.1 13.5 9.7 14.2 -31.9 24 29 A A < - 0 0 17 -3,-1.5 2,-0.3 141,-0.2 -3,-0.1 -0.896 65.2-147.0-120.5 153.3 6.7 12.7 -29.9 25 30 A N + 0 0 172 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.1 -0.557 32.6 171.2-114.8 67.8 3.1 13.7 -29.9 26 31 A Y - 0 0 41 -2,-0.3 2,-0.5 -5,-0.2 -2,-0.1 -0.517 20.6-156.7 -78.9 142.7 2.1 12.9 -26.3 27 32 A S - 0 0 92 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.969 9.6-177.3-121.6 116.6 -1.3 13.9 -24.9 28 33 A W - 0 0 27 -2,-0.5 -1,-0.1 2,-0.3 3,-0.1 0.706 29.4-136.0 -89.3 -24.2 -1.3 14.2 -21.1 29 34 A G S S+ 0 0 78 1,-0.2 2,-0.3 7,-0.1 -1,-0.0 0.504 85.5 71.4 77.1 4.3 -5.0 15.1 -20.3 30 35 A T S S- 0 0 19 6,-0.1 -2,-0.3 366,-0.1 -1,-0.2 -0.976 93.4 -98.9-147.3 147.5 -3.5 17.7 -17.9 31 36 A E > - 0 0 95 -2,-0.3 3,-2.1 1,-0.1 -15,-0.4 -0.384 58.4 -77.6 -68.2 152.7 -1.7 21.0 -18.4 32 37 A L T 3 S+ 0 0 58 1,-0.3 -14,-0.2 -17,-0.1 -1,-0.1 -0.186 116.7 9.9 -50.2 136.6 2.1 21.0 -18.2 33 38 A S T 3 S+ 0 0 30 -16,-1.8 46,-0.3 1,-0.2 -1,-0.3 0.290 99.6 126.9 75.9 -7.7 3.4 20.9 -14.6 34 39 A E < - 0 0 10 -3,-2.1 -18,-2.0 -17,-0.2 -1,-0.2 -0.528 68.2-103.4 -85.1 148.7 -0.1 20.2 -13.1 35 40 A L B -H 15 0B 4 -20,-0.2 -20,-0.3 -2,-0.2 -4,-0.1 -0.471 38.4-141.0 -65.0 133.3 -1.0 17.4 -10.8 36 41 A T > - 0 0 2 -22,-2.3 4,-2.2 -2,-0.2 5,-0.2 -0.406 27.1-102.5 -87.7 167.5 -2.8 14.6 -12.6 37 42 A P H > S+ 0 0 32 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.894 127.2 55.6 -55.2 -40.3 -5.7 12.5 -11.2 38 43 A I H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -24,-0.2 0.909 107.5 49.2 -55.7 -40.8 -3.2 9.8 -10.6 39 44 A G H > S+ 0 0 0 -25,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.875 108.8 51.3 -69.4 -38.0 -1.1 12.3 -8.5 40 45 A M H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.920 111.1 49.9 -61.4 -43.3 -4.2 13.4 -6.5 41 46 A N H X S+ 0 0 41 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.875 108.1 52.4 -64.0 -40.5 -4.8 9.7 -5.8 42 47 A Q H X S+ 0 0 63 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.921 113.4 42.9 -62.9 -45.2 -1.2 9.0 -4.7 43 48 A E H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.896 112.5 53.7 -69.5 -39.0 -1.3 11.9 -2.2 44 49 A Y H X S+ 0 0 24 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.930 110.5 47.2 -59.2 -46.0 -4.8 11.0 -1.0 45 50 A N H X S+ 0 0 67 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.873 108.5 54.3 -66.1 -34.9 -3.6 7.4 -0.3 46 51 A L H X S+ 0 0 23 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.918 107.5 52.7 -61.1 -42.4 -0.5 8.7 1.5 47 52 A G H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.910 107.4 50.1 -57.0 -45.8 -2.9 10.7 3.6 48 53 A L H X S+ 0 0 32 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.905 111.7 49.3 -59.6 -41.3 -4.9 7.6 4.5 49 54 A Q H X S+ 0 0 72 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.894 108.8 51.8 -65.6 -40.4 -1.7 5.9 5.4 50 55 A L H X>S+ 0 0 6 -4,-2.5 4,-2.8 2,-0.2 5,-0.5 0.801 107.2 54.2 -65.7 -31.7 -0.6 8.8 7.6 51 56 A R H X>S+ 0 0 33 -4,-1.8 5,-2.6 2,-0.2 4,-1.7 0.934 107.8 49.4 -66.0 -44.1 -4.0 8.6 9.4 52 57 A K H <>S+ 0 0 122 -4,-2.0 5,-1.7 3,-0.2 -2,-0.2 0.878 120.8 37.2 -63.6 -33.2 -3.4 4.9 10.1 53 58 A R H <>S+ 0 0 31 -4,-1.8 5,-2.6 3,-0.2 6,-0.3 0.977 127.5 27.1 -81.4 -61.3 0.1 5.7 11.4 54 59 A Y H <5S+ 0 0 0 -4,-2.8 7,-2.0 3,-0.2 6,-1.2 0.659 133.5 29.8 -86.5 -17.3 -0.2 9.1 13.3 55 60 A I T < - 0 0 74 -4,-0.1 3,-1.9 294,-0.0 4,-0.4 -0.877 27.3-113.6 -96.9 122.5 -8.4 20.3 15.7 67 72 A D T 3 S+ 0 0 36 -2,-0.6 47,-0.0 1,-0.3 297,-0.0 -0.300 99.7 13.3 -58.6 136.6 -8.0 23.9 14.4 68 73 A Q T 3 S+ 0 0 72 2,-0.2 -1,-0.3 293,-0.1 178,-0.1 0.589 95.6 110.7 70.7 15.2 -4.4 25.1 14.6 69 74 A S S < S+ 0 0 7 -3,-1.9 179,-3.1 1,-0.2 180,-1.4 0.723 77.1 40.3 -88.0 -24.2 -3.1 21.6 15.3 70 75 A I E -c 249 0A 5 -4,-0.4 2,-0.6 177,-0.2 -2,-0.2 -0.988 68.0-155.1-127.9 128.8 -1.3 21.3 11.9 71 76 A Y E -c 250 0A 45 178,-2.4 180,-2.9 -2,-0.4 2,-0.5 -0.900 15.5-169.1 -99.3 118.3 0.7 24.0 10.2 72 77 A V E +c 251 0A 2 -2,-0.6 45,-2.5 43,-0.5 2,-0.4 -0.932 7.8 177.5-112.2 124.1 0.8 23.4 6.4 73 78 A L E -cd 252 117A 4 178,-2.8 180,-2.3 -2,-0.5 2,-0.3 -0.991 6.7-171.6-127.7 125.7 3.1 25.4 4.2 74 79 A S E -cd 253 118A 0 43,-2.8 45,-2.7 -2,-0.4 180,-0.2 -0.798 27.5-109.4-113.7 153.1 3.4 24.8 0.4 75 80 A S - 0 0 2 178,-1.8 2,-1.9 -2,-0.3 46,-0.1 -0.335 51.7 -91.2 -66.5 169.1 5.8 26.1 -2.2 76 81 A H S S+ 0 0 56 44,-0.3 2,-0.3 47,-0.1 -1,-0.1 -0.433 90.3 106.2 -89.3 61.3 4.1 28.5 -4.7 77 82 A T S > S- 0 0 16 -2,-1.9 4,-1.6 1,-0.1 5,-0.2 -0.981 72.2-128.0-133.9 151.3 3.0 25.9 -7.3 78 83 A N H > S+ 0 0 39 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.928 107.8 55.5 -62.2 -43.1 -0.4 24.5 -8.1 79 84 A R H > S+ 0 0 14 -46,-0.3 4,-1.9 1,-0.2 -66,-0.4 0.826 107.4 47.2 -63.6 -32.8 0.8 20.9 -7.8 80 85 A T H > S+ 0 0 0 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.852 114.3 47.1 -78.8 -31.7 2.2 21.3 -4.3 81 86 A V H X S+ 0 0 1 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.969 115.8 44.5 -68.3 -49.9 -1.0 23.0 -3.0 82 87 A V H X S+ 0 0 7 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.873 111.8 54.4 -63.5 -34.0 -3.2 20.4 -4.7 83 88 A S H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.942 110.2 45.8 -63.2 -44.5 -0.9 17.6 -3.4 84 89 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.921 113.1 50.1 -64.4 -42.6 -1.3 18.9 0.2 85 90 A Q H X S+ 0 0 15 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.938 112.3 47.4 -58.7 -46.6 -5.1 19.3 -0.2 86 91 A S H < S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.903 111.8 49.9 -63.1 -44.1 -5.3 15.7 -1.6 87 92 A L H >X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 3,-1.5 0.910 109.1 51.7 -58.8 -44.4 -3.1 14.3 1.2 88 93 A L H 3X S+ 0 0 9 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.772 99.8 64.1 -68.9 -23.3 -5.3 16.1 3.8 89 94 A M H 3< S+ 0 0 9 -4,-1.5 5,-0.4 1,-0.2 -1,-0.3 0.666 110.4 39.8 -68.3 -19.5 -8.4 14.5 2.2 90 95 A G H <4 S+ 0 0 0 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.785 114.4 50.3 -94.0 -38.8 -6.8 11.2 3.3 91 96 A L H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.896 131.1 18.9 -68.5 -39.4 -5.5 12.3 6.7 92 97 A Y S < S- 0 0 0 -4,-2.5 20,-0.5 -5,-0.2 -1,-0.3 -0.760 97.1-168.6-131.6 82.0 -8.9 13.8 7.7 93 98 A P > - 0 0 24 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.096 33.3 -68.9 -78.3 167.0 -11.3 12.2 5.2 94 99 A A T 3 S+ 0 0 32 -5,-0.4 16,-0.2 1,-0.3 17,-0.2 -0.226 120.8 41.9 -47.1 137.9 -14.9 12.8 4.3 95 100 A G T 3 S+ 0 0 36 14,-1.3 -1,-0.3 15,-0.5 15,-0.2 0.108 102.3 71.6 102.6 -21.2 -17.1 11.9 7.3 96 101 A T S < S+ 0 0 15 -3,-2.1 -31,-0.2 14,-0.5 -2,-0.2 0.528 71.9 109.4-103.4 -8.9 -14.8 13.5 9.8 97 102 A G S S- 0 0 0 13,-2.5 15,-0.2 -4,-0.3 14,-0.1 -0.081 76.8 -70.0 -69.7 170.6 -15.5 17.1 9.0 98 103 A P - 0 0 25 0, 0.0 8,-2.5 0, 0.0 9,-0.5 -0.098 41.3-141.5 -68.5 156.6 -17.4 19.6 11.2 99 104 A L E -I 105 0C 67 6,-0.3 2,-0.3 7,-0.1 269,-0.1 -0.801 9.3-161.6-111.6 154.6 -21.1 19.6 12.0 100 105 A I E > -I 104 0C 33 4,-4.0 4,-2.3 -2,-0.3 6,-0.0 -0.831 59.2 -7.4-123.6 167.8 -23.6 22.5 12.4 101 106 A G T 4 S- 0 0 84 -2,-0.3 2,-1.1 1,-0.2 -2,-0.1 -0.172 131.1 -4.4 53.0-128.4 -27.1 22.6 14.0 102 107 A D T 4 S- 0 0 93 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 -0.639 127.8 -56.5 -99.4 73.5 -28.3 19.1 15.0 103 108 A G T 4 S+ 0 0 49 -2,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.752 93.5 147.0 62.6 26.8 -25.5 17.0 13.6 104 109 A D E < -I 100 0C 98 -4,-2.3 -4,-4.0 1,-0.1 -1,-0.2 -0.766 54.9-102.9 -91.0 141.8 -25.9 18.3 10.1 105 110 A P E -I 99 0C 53 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.367 13.3-144.0 -70.3 140.0 -22.7 18.5 8.0 106 111 A A S S+ 0 0 0 -8,-2.5 2,-0.4 1,-0.2 268,-0.2 0.870 95.9 19.5 -66.2 -38.3 -21.1 21.9 7.6 107 112 A I S > S- 0 0 3 -9,-0.5 3,-2.0 4,-0.2 4,-0.3 -0.982 107.4 -86.7-129.6 142.3 -20.1 20.8 4.1 108 113 A K G > S+ 0 0 129 -2,-0.4 3,-0.9 1,-0.3 316,-0.1 -0.150 115.8 15.6 -48.8 139.6 -21.7 17.9 2.2 109 114 A D G 3 S- 0 0 58 1,-0.2 -14,-1.3 -15,-0.1 -1,-0.3 0.576 122.3 -87.5 69.0 11.9 -20.1 14.5 3.0 110 115 A R G < - 0 0 68 -3,-2.0 -13,-2.5 -16,-0.2 -14,-0.5 0.906 63.0-173.0 53.0 47.5 -18.5 16.1 6.0 111 116 A F < - 0 0 17 -3,-0.9 -4,-0.2 -4,-0.3 -1,-0.1 -0.392 16.5-136.5 -61.5 149.0 -15.4 17.4 4.2 112 117 A Q - 0 0 10 -20,-0.5 2,-0.2 -15,-0.2 -20,-0.1 -0.901 10.0-152.6-113.5 103.0 -12.8 18.8 6.4 113 118 A P - 0 0 1 0, 0.0 299,-0.1 0, 0.0 257,-0.0 -0.582 14.6-176.4 -71.0 137.6 -11.1 22.1 5.3 114 119 A I - 0 0 3 -2,-0.2 -26,-0.1 297,-0.1 -2,-0.0 -0.988 29.5-112.2-134.2 124.9 -7.6 22.5 6.6 115 120 A P - 0 0 11 0, 0.0 -43,-0.5 0, 0.0 2,-0.5 -0.265 27.2-167.0 -67.3 141.1 -5.7 25.7 5.8 116 121 A I - 0 0 2 292,-0.1 2,-0.3 -45,-0.1 -43,-0.2 -0.991 4.5-160.4-122.7 120.6 -2.7 25.6 3.5 117 122 A M E -d 73 0A 6 -45,-2.5 -43,-2.8 -2,-0.5 2,-0.4 -0.713 9.5-145.8 -92.2 154.6 -0.4 28.7 3.3 118 123 A T E -d 74 0A 3 -2,-0.3 -43,-0.2 331,-0.2 -42,-0.1 -0.948 9.5-128.7-116.5 143.3 1.9 29.2 0.3 119 124 A L - 0 0 27 -45,-2.7 329,-0.2 -2,-0.4 2,-0.1 -0.351 42.4 -89.9 -67.4 165.4 5.3 30.8 0.3 120 125 A S > - 0 0 45 1,-0.1 3,-1.7 -2,-0.1 -44,-0.3 -0.392 37.5-108.9 -70.6 159.4 5.9 33.5 -2.2 121 126 A A T 3 S+ 0 0 79 1,-0.3 -1,-0.1 -46,-0.1 -45,-0.1 0.779 118.9 52.8 -62.7 -24.8 7.3 32.5 -5.6 122 127 A D T 3 S+ 0 0 124 7,-0.1 -1,-0.3 6,-0.0 2,-0.1 0.391 81.4 119.6 -94.1 4.8 10.7 34.0 -4.8 123 128 A S < - 0 0 27 -3,-1.7 4,-0.3 1,-0.1 -47,-0.1 -0.446 49.6-159.8 -69.6 141.9 11.1 32.1 -1.5 124 129 A R + 0 0 127 4,-0.1 105,-0.2 -2,-0.1 4,-0.1 0.364 68.3 93.4-100.3 5.1 14.1 29.8 -1.3 125 130 A L S S+ 0 0 1 2,-0.2 104,-0.3 1,-0.1 3,-0.2 0.932 103.4 3.3 -67.5 -52.5 12.7 27.7 1.6 126 131 A I S S+ 0 0 1 1,-0.3 2,-0.5 -3,-0.1 129,-0.4 0.789 137.5 32.7-106.8 -41.0 11.0 24.8 -0.2 127 132 A Q S S- 0 0 55 -4,-0.3 -1,-0.3 127,-0.1 -2,-0.2 -0.934 77.6-141.0-123.1 106.7 11.7 25.3 -3.8 128 133 A F - 0 0 20 -2,-0.5 -4,-0.1 -3,-0.2 5,-0.1 -0.501 40.9 -96.3 -63.9 125.9 15.0 27.0 -4.7 129 134 A P > - 0 0 27 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.190 35.4-123.3 -47.1 132.3 14.4 29.4 -7.6 130 135 A Y H > S+ 0 0 87 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.817 106.7 48.2 -56.0 -43.8 15.2 27.6 -10.8 131 136 A E H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 114.2 47.4 -66.5 -39.1 17.8 30.0 -12.2 132 137 A Q H > S+ 0 0 72 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.879 111.4 52.6 -67.1 -39.0 19.6 30.1 -8.9 133 138 A Y H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.944 109.9 46.5 -58.7 -51.9 19.5 26.3 -8.7 134 139 A L H X S+ 0 0 64 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.887 109.9 54.9 -62.7 -37.4 21.1 25.9 -12.1 135 140 A A H X S+ 0 0 59 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.876 107.3 50.5 -60.3 -39.2 23.7 28.5 -11.1 136 141 A V H X>S+ 0 0 16 -4,-1.9 4,-2.7 2,-0.2 5,-0.5 0.924 112.2 47.0 -63.9 -44.4 24.5 26.3 -8.1 137 142 A L H X>S+ 0 0 2 -4,-2.3 5,-2.5 1,-0.2 4,-2.2 0.942 110.5 51.7 -60.7 -48.2 24.8 23.3 -10.4 138 143 A K H <5S+ 0 0 52 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 118.2 38.3 -57.3 -38.6 27.0 25.1 -12.9 139 144 A K H <5S+ 0 0 151 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.911 133.2 16.4 -80.5 -44.2 29.4 26.2 -10.1 140 145 A Y H <5S+ 0 0 112 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.675 129.1 31.5-108.5 -22.5 29.5 23.2 -7.8 141 146 A V T >< S- 0 0 25 -3,-1.8 4,-2.6 1,-0.1 5,-0.2 -0.298 77.6-112.9 -62.8 151.7 32.9 17.7 -10.1 145 150 A P H > S+ 0 0 83 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.892 116.4 52.2 -57.0 -40.5 34.9 14.6 -10.9 146 151 A E H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.897 111.4 45.5 -63.8 -42.0 31.8 12.4 -10.6 147 152 A W H > S+ 0 0 7 -6,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.904 114.6 48.2 -70.2 -41.0 29.8 14.5 -13.0 148 153 A Q H X S+ 0 0 105 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.891 112.0 49.4 -65.2 -40.2 32.7 14.7 -15.5 149 154 A N H X S+ 0 0 117 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.923 113.1 46.0 -65.5 -42.8 33.3 11.0 -15.4 150 155 A K H X S+ 0 0 69 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.852 109.9 55.4 -69.1 -34.6 29.7 10.1 -15.9 151 156 A T H X S+ 0 0 40 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.937 107.0 49.7 -60.3 -47.2 29.5 12.7 -18.7 152 157 A K H < S+ 0 0 70 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.891 112.1 48.5 -58.4 -40.5 32.4 10.9 -20.5 153 158 A E H < S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.890 119.9 36.2 -68.7 -38.5 30.7 7.6 -20.1 154 159 A A H >< S+ 0 0 5 -4,-2.2 3,-2.3 1,-0.2 4,-0.3 0.727 94.2 89.0 -87.8 -23.9 27.3 8.8 -21.4 155 160 A A G >< S+ 0 0 40 -4,-2.6 3,-1.5 1,-0.3 4,-0.5 0.753 74.4 66.4 -48.3 -38.5 28.6 11.2 -24.1 156 161 A P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.603 101.8 51.8 -62.9 -8.7 28.8 8.7 -27.0 157 162 A N G <> S+ 0 0 36 -3,-2.3 4,-2.6 2,-0.1 5,-0.2 0.541 84.3 87.6-101.2 -10.4 25.0 8.4 -26.9 158 163 A F H <> S+ 0 0 19 -3,-1.5 4,-2.6 -4,-0.3 5,-0.2 0.883 86.2 49.9 -60.8 -45.5 24.2 12.1 -27.1 159 164 A A H > S+ 0 0 81 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.924 114.3 45.2 -60.4 -46.3 24.2 12.5 -30.9 160 165 A K H > S+ 0 0 88 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.936 114.0 48.4 -62.9 -49.6 21.9 9.5 -31.3 161 166 A W H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.878 111.3 51.1 -61.0 -38.5 19.5 10.6 -28.5 162 167 A Q H X S+ 0 0 79 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.917 110.6 47.9 -66.7 -41.9 19.3 14.1 -29.9 163 168 A Q H < S+ 0 0 157 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.888 116.2 44.4 -67.6 -35.7 18.5 12.9 -33.4 164 169 A I H < S+ 0 0 33 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.945 124.9 30.0 -71.1 -50.0 15.8 10.5 -32.1 165 170 A L H < S- 0 0 0 -4,-2.6 -142,-2.3 -5,-0.2 2,-0.4 0.752 90.8-141.0 -85.4 -26.8 14.1 12.9 -29.6 166 171 A G < + 0 0 22 -4,-2.4 -4,-0.1 -5,-0.4 3,-0.1 -0.216 64.9 114.6 91.9 -43.7 14.8 16.2 -31.3 167 172 A N S S- 0 0 22 -2,-0.4 -1,-0.3 -6,-0.1 -2,-0.2 -0.236 82.2 -92.2 -53.6 144.9 15.5 18.0 -28.1 168 173 A R - 0 0 146 -3,-0.1 2,-0.4 -5,-0.0 -1,-0.1 -0.419 44.5-177.2 -62.0 134.4 19.1 19.3 -27.7 169 174 A I + 0 0 5 -2,-0.1 -7,-0.2 -3,-0.1 3,-0.1 -0.888 29.0 132.6-136.0 104.2 21.3 16.8 -25.9 170 175 A S S S+ 0 0 79 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.299 71.9 9.2-134.9 8.7 24.9 17.9 -25.3 171 176 A G S >> S- 0 0 9 -13,-0.1 4,-1.4 1,-0.1 3,-0.7 -0.971 86.7 -84.0-172.4 171.3 25.4 17.0 -21.6 172 177 A L H 3> S+ 0 0 6 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.817 121.2 64.2 -57.3 -32.3 23.9 15.2 -18.6 173 178 A N H 3> S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 104.3 45.8 -59.0 -40.6 21.8 18.3 -17.9 174 179 A D H <> S+ 0 0 12 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.810 108.6 56.7 -71.6 -32.1 20.0 17.8 -21.2 175 180 A V H X S+ 0 0 1 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.935 106.8 48.9 -62.2 -47.3 19.6 14.1 -20.4 176 181 A I H X S+ 0 0 27 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.880 107.5 57.2 -58.8 -39.7 17.9 14.9 -17.2 177 182 A T H X S+ 0 0 73 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.929 115.9 33.1 -58.6 -49.9 15.6 17.3 -19.0 178 183 A V H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 3,-0.2 0.796 110.3 68.1 -78.8 -27.3 14.3 14.7 -21.5 179 184 A G H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.862 95.3 54.8 -58.1 -39.4 14.5 12.0 -18.8 180 185 A D H X S+ 0 0 28 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.884 106.5 51.6 -62.7 -37.5 11.7 13.6 -16.8 181 186 A V H X S+ 0 0 6 -4,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.914 109.8 49.0 -65.9 -40.4 9.4 13.5 -19.9 182 187 A L H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.829 108.4 54.3 -67.4 -32.4 10.2 9.8 -20.4 183 188 A I H X S+ 0 0 54 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.919 110.7 45.5 -65.0 -44.1 9.5 9.2 -16.7 184 189 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.921 111.8 52.1 -63.9 -45.6 6.1 10.8 -17.1 185 190 A A H <>S+ 0 0 4 -4,-2.7 5,-2.7 1,-0.2 3,-0.3 0.929 112.0 45.8 -55.3 -47.7 5.4 8.9 -20.3 186 191 A Q H ><5S+ 0 0 66 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.908 109.1 55.3 -63.3 -41.1 6.2 5.6 -18.6 187 192 A A H 3<5S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.793 112.8 43.4 -63.7 -29.2 4.1 6.5 -15.6 188 193 A H T 3<5S- 0 0 46 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.269 114.5-115.0 -99.3 11.1 1.1 7.1 -18.0 189 194 A G T < 5 + 0 0 65 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.788 57.8 160.7 63.6 30.1 1.7 4.0 -20.1 190 195 A K < - 0 0 69 -5,-2.7 -1,-0.2 -6,-0.2 -164,-0.0 -0.483 43.4-103.8 -78.7 152.8 2.5 5.9 -23.2 191 196 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.302 43.6 -93.1 -68.4 161.9 4.4 4.2 -26.0 192 197 A L - 0 0 68 1,-0.1 3,-0.1 4,-0.1 6,-0.1 -0.388 47.8 -92.5 -69.4 152.1 8.1 5.0 -26.6 193 198 A P > - 0 0 6 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.375 60.5 -83.5 -58.8 147.9 9.1 7.8 -29.0 194 199 A K T 3 S+ 0 0 197 -171,-0.4 3,-0.1 1,-0.3 -171,-0.0 -0.312 116.6 13.2 -58.6 130.5 9.7 6.3 -32.5 195 200 A G T 3 S+ 0 0 67 1,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.404 95.5 115.3 84.6 -3.9 13.2 4.9 -32.7 196 201 A L < - 0 0 5 -3,-2.2 -1,-0.2 -32,-0.1 -4,-0.1 -0.890 57.9-149.0 -97.3 107.8 13.9 5.1 -28.9 197 202 A S > - 0 0 54 -2,-0.8 4,-2.6 1,-0.1 5,-0.2 -0.229 24.7-112.3 -70.2 163.5 14.3 1.5 -27.8 198 203 A Q H > S+ 0 0 102 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.902 120.4 57.7 -62.0 -39.4 13.3 0.4 -24.3 199 204 A E H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 109.1 43.4 -53.4 -51.5 17.0 -0.1 -23.6 200 205 A D H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.891 112.9 51.4 -63.4 -42.3 17.8 3.5 -24.5 201 206 A A H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.938 109.9 51.0 -61.7 -42.7 14.8 4.8 -22.6 202 207 A D H X S+ 0 0 89 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.907 110.1 49.4 -59.3 -43.4 16.0 2.8 -19.6 203 208 A Q H X S+ 0 0 72 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.903 111.9 47.6 -62.9 -44.1 19.5 4.3 -19.9 204 209 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.932 113.9 47.2 -64.8 -44.0 18.2 7.9 -20.1 205 210 A I H X S+ 0 0 43 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.905 111.2 51.6 -64.0 -41.5 15.9 7.4 -17.1 206 211 A A H X S+ 0 0 58 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.896 110.0 49.4 -62.6 -39.9 18.7 5.8 -15.1 207 212 A L H X S+ 0 0 25 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.864 109.6 52.4 -67.5 -35.3 21.0 8.7 -15.8 208 213 A T H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.950 111.5 45.4 -63.5 -48.8 18.2 11.1 -14.8 209 214 A D H X S+ 0 0 53 -4,-2.5 4,-1.9 1,-0.2 64,-0.2 0.931 115.7 47.5 -59.3 -47.7 17.8 9.3 -11.5 210 215 A W H X S+ 0 0 66 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.907 111.7 50.3 -59.1 -45.9 21.6 9.2 -11.0 211 216 A G H X S+ 0 0 2 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.911 109.0 49.2 -64.0 -45.9 22.1 12.8 -11.8 212 217 A L H X S+ 0 0 33 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.925 116.2 43.0 -61.1 -44.0 19.4 14.2 -9.5 213 218 A A H >< S+ 0 0 2 -4,-1.9 3,-1.2 -5,-0.2 4,-0.4 0.890 108.0 60.0 -69.6 -36.9 20.8 12.2 -6.6 214 219 A Q H >< S+ 0 0 27 -4,-2.6 3,-1.5 1,-0.3 4,-0.4 0.853 93.8 65.6 -60.4 -36.9 24.4 13.0 -7.4 215 220 A Q H 3< S+ 0 0 4 -4,-1.6 3,-0.5 1,-0.3 -1,-0.3 0.811 105.6 43.4 -53.0 -32.8 23.8 16.7 -7.0 216 221 A F T << S+ 0 0 2 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.360 83.8 89.5-107.0 6.5 23.1 16.2 -3.3 217 222 A K S < S+ 0 0 85 -3,-1.5 2,-0.7 -4,-0.4 -1,-0.2 0.643 78.9 81.0 -69.2 -16.5 25.9 13.8 -2.5 218 223 A S S > S- 0 0 47 -3,-0.5 4,-2.3 -4,-0.4 5,-0.1 -0.840 70.7-161.2 -88.6 118.3 27.6 17.2 -1.9 219 224 A Q H > S+ 0 0 45 -2,-0.7 4,-2.8 2,-0.2 5,-0.2 0.838 91.4 57.8 -68.1 -29.8 26.7 18.4 1.6 220 225 A K H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 109.4 43.1 -64.3 -49.1 27.8 21.9 0.5 221 226 A V H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.920 114.5 51.8 -58.6 -45.3 25.3 22.0 -2.4 222 227 A S H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.914 110.7 47.8 -60.1 -42.8 22.6 20.4 -0.1 223 228 A Y H X S+ 0 0 48 -4,-2.8 4,-2.3 3,-0.2 5,-0.4 0.889 104.9 57.8 -68.3 -42.5 23.2 23.1 2.5 224 229 A I H < S+ 0 0 69 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.933 123.2 25.7 -50.5 -45.8 23.0 26.0 0.1 225 230 A M H < S+ 0 0 3 -4,-1.7 4,-0.2 -5,-0.1 -2,-0.2 0.792 136.5 27.5 -90.5 -31.3 19.6 24.9 -1.0 226 231 A G H X S+ 0 0 0 -4,-3.2 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4,-2.7 2,-0.2 5,-0.5 0.922 112.0 47.1 -64.2 -44.3 -4.7 55.5 7.8 467 142 B L H X>S+ 0 0 2 -4,-2.4 5,-2.5 1,-0.2 4,-2.4 0.945 110.7 51.1 -60.7 -49.9 -7.8 55.8 10.0 468 143 B K H <5S+ 0 0 67 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.867 118.4 38.6 -57.1 -37.7 -6.0 58.0 12.6 469 144 B K H <5S+ 0 0 153 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.903 133.5 16.5 -81.1 -43.1 -4.8 60.4 9.8 470 145 B Y H <5S+ 0 0 108 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.666 129.6 31.8-109.2 -22.2 -7.8 60.5 7.5 471 146 B V T >< S- 0 0 26 -3,-1.7 4,-2.5 1,-0.1 5,-0.3 -0.271 77.9-112.1 -60.5 151.7 -13.3 63.9 9.8 475 150 B P H > S+ 0 0 85 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.903 117.1 51.3 -55.1 -44.0 -16.5 65.9 10.5 476 151 B E H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.887 111.3 46.8 -62.9 -40.7 -18.7 62.9 10.3 477 152 B W H > S+ 0 0 6 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.908 114.0 47.0 -70.5 -41.4 -16.5 60.9 12.7 478 153 B Q H X S+ 0 0 102 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.887 112.2 50.8 -66.3 -39.5 -16.3 63.7 15.3 479 154 B N H X S+ 0 0 113 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.910 112.7 44.9 -64.8 -43.3 -20.0 64.3 15.1 480 155 B K H X S+ 0 0 71 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.868 110.5 55.9 -69.2 -36.3 -20.9 60.7 15.6 481 156 B T H X S+ 0 0 39 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.950 107.3 48.5 -57.9 -50.0 -18.3 60.5 18.4 482 157 B K H < S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 112.7 49.4 -58.6 -37.9 -20.0 63.4 20.2 483 158 B E H < S+ 0 0 71 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.896 119.5 35.8 -68.1 -39.3 -23.4 61.7 19.8 484 159 B A H >< S+ 0 0 6 -4,-2.4 3,-2.3 1,-0.2 4,-0.3 0.732 94.7 89.4 -88.3 -24.3 -22.2 58.3 21.1 485 160 B A G >< S+ 0 0 40 -4,-2.8 3,-1.5 1,-0.3 4,-0.5 0.730 73.7 66.1 -47.5 -38.0 -19.8 59.7 23.8 486 161 B P G 3 S+ 0 0 101 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.639 101.9 52.3 -64.6 -10.3 -22.4 59.9 26.7 487 162 B N G <> S+ 0 0 51 -3,-2.3 4,-2.6 1,-0.1 5,-0.2 0.522 84.1 87.4 -98.7 -10.2 -22.6 56.1 26.6 488 163 B F H <> S+ 0 0 19 -3,-1.5 4,-2.6 -4,-0.3 5,-0.2 0.888 86.1 50.4 -60.8 -45.7 -18.9 55.2 26.8 489 164 B A H > S+ 0 0 81 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.922 114.5 44.7 -59.2 -46.6 -18.6 55.2 30.6 490 165 B K H > S+ 0 0 87 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.941 113.7 48.9 -63.1 -50.7 -21.5 52.9 31.0 491 166 B W H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.877 111.2 51.0 -60.0 -38.3 -20.5 50.5 28.2 492 167 B Q H X S+ 0 0 81 -4,-2.6 4,-2.5 7,-0.2 -1,-0.2 0.907 110.4 48.1 -67.2 -41.2 -16.9 50.3 29.6 493 168 B Q H < S+ 0 0 155 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.887 116.1 44.3 -69.3 -35.2 -18.1 49.5 33.1 494 169 B I H < S+ 0 0 32 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.935 125.2 30.1 -71.3 -48.1 -20.5 46.8 31.8 495 170 B L H < S- 0 0 0 -4,-2.6 -142,-2.3 -5,-0.2 2,-0.3 0.763 90.9-141.1 -87.1 -28.2 -18.1 45.1 29.3 496 171 B G < + 0 0 22 -4,-2.5 -4,-0.1 -5,-0.4 3,-0.1 -0.198 64.7 115.1 92.7 -42.3 -14.8 45.8 31.0 497 172 B N S S- 0 0 22 -2,-0.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.255 81.9 -92.7 -54.7 144.3 -13.0 46.5 27.8 498 173 B R - 0 0 149 -3,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.411 44.4-177.1 -61.1 133.9 -11.7 50.1 27.4 499 174 B I + 0 0 5 -2,-0.1 -7,-0.2 -3,-0.1 3,-0.1 -0.881 29.4 131.7-136.2 103.9 -14.3 52.3 25.6 500 175 B S S S+ 0 0 81 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.260 71.7 10.4-136.3 10.6 -13.1 55.9 25.0 501 176 B G S >> S- 0 0 9 -13,-0.1 4,-1.5 1,-0.1 3,-0.7 -0.968 86.5 -84.8-174.1 171.2 -14.0 56.4 21.3 502 177 B L H 3> S+ 0 0 7 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.820 121.4 64.1 -58.9 -32.4 -15.8 55.0 18.3 503 178 B N H 3> S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.914 104.2 45.6 -58.7 -40.9 -12.7 52.8 17.5 504 179 B D H <> S+ 0 0 12 -3,-0.7 4,-2.0 2,-0.2 5,-0.2 0.824 108.9 56.4 -71.7 -32.9 -13.2 51.0 20.9 505 180 B V H X S+ 0 0 1 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.938 107.1 49.0 -61.0 -47.1 -17.0 50.6 20.1 506 181 B I H X S+ 0 0 26 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.888 107.5 57.1 -59.3 -39.8 -16.1 48.9 16.9 507 182 B T H X S+ 0 0 70 -4,-1.6 4,-0.7 1,-0.2 3,-0.2 0.943 115.7 33.1 -57.7 -52.2 -13.7 46.6 18.7 508 183 B V H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 3,-0.3 0.812 110.3 68.2 -76.8 -28.1 -16.3 45.3 21.2 509 184 B G H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.854 94.8 55.4 -56.8 -38.7 -19.0 45.5 18.5 510 185 B D H X S+ 0 0 29 -4,-1.7 4,-2.2 -3,-0.2 -1,-0.2 0.887 106.4 51.1 -62.9 -37.6 -17.4 42.7 16.5 511 186 B V H X S+ 0 0 5 -4,-0.7 4,-2.8 -3,-0.3 -2,-0.2 0.917 109.7 49.6 -66.4 -40.4 -17.5 40.5 19.6 512 187 B L H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.840 108.3 54.2 -66.9 -33.3 -21.2 41.2 20.1 513 188 B I H X S+ 0 0 55 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.925 110.8 45.3 -63.3 -45.5 -21.8 40.5 16.4 514 189 B V H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.919 112.1 52.1 -63.1 -46.0 -20.2 37.1 16.8 515 190 B A H <>S+ 0 0 4 -4,-2.8 5,-2.6 1,-0.2 3,-0.4 0.939 112.0 45.5 -54.2 -49.4 -22.1 36.4 20.0 516 191 B Q H ><5S+ 0 0 66 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.902 109.5 54.9 -62.4 -41.0 -25.4 37.2 18.3 517 192 B A H 3<5S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.789 112.9 43.8 -64.2 -28.5 -24.5 35.1 15.3 518 193 B H T 3<5S- 0 0 50 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.269 114.4-114.6-100.4 10.5 -23.9 32.2 17.6 519 194 B G T < 5 + 0 0 68 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.770 58.2 160.0 64.6 28.4 -27.0 32.7 19.8 520 195 B K < - 0 0 68 -5,-2.6 -1,-0.2 -6,-0.2 -164,-0.0 -0.471 43.9-104.4 -77.8 152.5 -25.1 33.5 22.9 521 196 B P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.328 43.5 -93.7 -69.3 160.2 -26.8 35.4 25.7 522 197 B L - 0 0 71 1,-0.1 3,-0.1 4,-0.1 6,-0.1 -0.371 47.7 -92.2 -67.7 152.4 -26.0 39.1 26.3 523 198 B P > - 0 0 8 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.370 59.5 -84.3 -59.7 148.0 -23.3 40.1 28.7 524 199 B K T 3 S+ 0 0 197 -171,-0.4 3,-0.1 1,-0.3 -171,-0.0 -0.333 116.7 14.7 -58.7 129.7 -24.7 40.7 32.2 525 200 B G T 3 S+ 0 0 66 1,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.359 95.6 114.7 88.7 -6.3 -26.0 44.3 32.4 526 201 B L < - 0 0 6 -3,-2.2 -1,-0.2 -32,-0.1 -4,-0.1 -0.873 57.6-149.2 -98.5 106.9 -26.0 44.9 28.6 527 202 B S > - 0 0 53 -2,-0.8 4,-2.6 1,-0.1 5,-0.2 -0.219 25.2-112.7 -68.5 163.5 -29.6 45.4 27.5 528 203 B Q H > S+ 0 0 103 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.900 120.5 56.8 -63.0 -38.9 -30.6 44.3 24.0 529 204 B E H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 109.0 44.6 -55.5 -49.6 -31.1 48.0 23.3 530 205 B D H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 113.1 49.9 -63.1 -44.0 -27.5 48.8 24.2 531 206 B A H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.938 110.3 51.7 -61.2 -43.7 -26.2 45.8 22.3 532 207 B D H X S+ 0 0 90 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.907 110.1 49.4 -57.6 -43.4 -28.2 47.0 19.3 533 208 B Q H X S+ 0 0 50 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.905 111.7 47.6 -62.1 -44.4 -26.7 50.5 19.6 534 209 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.937 113.9 47.1 -65.4 -44.3 -23.1 49.2 19.8 535 210 B I H X S+ 0 0 42 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 111.1 51.6 -64.3 -41.1 -23.6 46.9 16.8 536 211 B A H X S+ 0 0 59 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.890 110.4 49.1 -63.3 -38.5 -25.3 49.7 14.8 537 212 B L H X S+ 0 0 24 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.876 109.4 52.7 -67.6 -36.3 -22.3 52.0 15.5 538 213 B T H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.953 111.5 45.3 -62.9 -49.0 -19.9 49.2 14.5 539 214 B D H X S+ 0 0 55 -4,-2.5 4,-2.1 1,-0.2 64,-0.2 0.932 115.5 47.6 -58.1 -49.6 -21.7 48.8 11.1 540 215 B W H X S+ 0 0 65 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.912 111.7 50.5 -57.5 -47.0 -21.9 52.6 10.6 541 216 B G H X S+ 0 0 1 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.903 109.4 48.7 -62.7 -45.4 -18.2 53.1 11.5 542 217 B L H X S+ 0 0 35 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.929 116.4 43.1 -62.5 -44.5 -16.9 50.4 9.2 543 218 B A H >< S+ 0 0 2 -4,-2.1 3,-1.1 -5,-0.2 4,-0.4 0.893 108.0 60.3 -68.6 -37.6 -18.9 51.8 6.3 544 219 B Q H >< S+ 0 0 28 -4,-2.8 3,-1.5 1,-0.3 4,-0.4 0.849 93.9 65.1 -58.8 -36.2 -18.1 55.4 7.1 545 220 B Q H >< S+ 0 0 3 -4,-1.6 3,-0.6 1,-0.3 -1,-0.3 0.827 105.8 42.9 -55.7 -33.8 -14.3 54.8 6.7 546 221 B F T << S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.348 84.0 90.4-106.0 7.6 -14.8 54.1 3.0 547 222 B K T < S+ 0 0 85 -3,-1.5 2,-0.6 -4,-0.4 -1,-0.2 0.664 78.9 80.0 -68.6 -17.9 -17.2 56.9 2.2 548 223 B S S <> S- 0 0 49 -3,-0.6 4,-2.1 -4,-0.4 5,-0.1 -0.833 71.4-160.3 -88.2 121.5 -13.9 58.6 1.6 549 224 B Q H > S+ 0 0 57 -2,-0.6 4,-2.7 2,-0.2 5,-0.2 0.825 91.7 57.8 -71.1 -29.5 -12.6 57.7 -1.9 550 225 B K H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.944 109.3 43.3 -64.6 -49.6 -9.1 58.8 -0.9 551 226 B V H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.921 114.5 51.8 -58.7 -44.5 -9.1 56.3 2.1 552 227 B S H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.907 110.9 47.5 -60.8 -41.8 -10.6 53.7 -0.2 553 228 B Y H X S+ 0 0 50 -4,-2.7 4,-2.3 3,-0.2 5,-0.4 0.888 104.9 58.0 -70.7 -40.4 -7.9 54.2 -2.8 554 229 B I H < S+ 0 0 70 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.940 123.0 25.9 -51.2 -46.1 -5.0 54.1 -0.4 555 230 B M H < S+ 0 0 3 -4,-1.7 4,-0.2 -5,-0.1 -2,-0.2 0.775 136.5 27.1 -90.8 -29.4 -6.1 50.6 0.7 556 231 B G H X S+ 0 0 0 -4,-2.9 4,-2.5 35,-0.3 -3,-0.2 0.460 88.6 93.6-120.1 -2.9 -8.0 49.3 -2.3 557 232 B G H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.881 87.5 53.3 -58.8 -39.7 -6.6 51.0 -5.4 558 233 B K H > S+ 0 0 127 -5,-0.4 4,-2.1 -4,-0.2 -1,-0.2 0.944 113.3 40.5 -62.8 -49.6 -4.1 48.2 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