==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-MAY-06 2H52 . COMPND 2 MOLECULE: BISPHOSPHOGLYCERATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.WANG,W.GONG . 508 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.5 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 24 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.0 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 2 3 1 0 2 2 0 0 2 2 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 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 PARALLEL BRIDGES PER LADDER . 5 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S 0 0 87 0, 0.0 2,-0.3 0, 0.0 222,-0.2 0.000 360.0 360.0 360.0 -66.0 40.2 64.5 77.6 2 3 A K - 0 0 116 220,-0.2 2,-0.4 221,-0.1 220,-0.2 -0.914 360.0-159.9-123.1 150.9 41.9 61.2 77.0 3 4 A Y E -A 221 0A 46 218,-2.9 218,-3.9 -2,-0.3 2,-0.4 -0.979 1.9-156.3-133.4 143.8 41.4 57.8 78.6 4 5 A K E +A 220 0A 143 -2,-0.4 178,-0.4 216,-0.3 2,-0.3 -0.937 14.7 172.9-120.4 141.6 43.5 54.6 78.8 5 6 A L E -A 219 0A 3 214,-2.2 214,-1.5 -2,-0.4 2,-0.4 -0.905 23.8-127.0-138.7 168.6 42.3 51.1 79.4 6 7 A I E +Ab 218 183A 3 176,-2.4 178,-2.8 -2,-0.3 2,-0.3 -0.966 26.4 168.3-122.2 133.6 43.9 47.6 79.4 7 8 A M E +Ab 217 184A 1 210,-1.9 210,-2.8 -2,-0.4 2,-0.3 -0.954 6.9 159.4-137.6 156.6 42.7 44.6 77.4 8 9 A L E - b 0 185A 0 176,-1.8 178,-2.6 -2,-0.3 2,-0.4 -0.983 35.3-115.9-167.9 164.9 44.4 41.2 76.8 9 10 A R E - b 0 186A 23 203,-0.4 205,-2.1 206,-0.4 206,-0.4 -0.905 41.5-108.0-112.1 142.6 43.8 37.6 75.8 10 11 A H - 0 0 18 176,-1.1 204,-0.5 -2,-0.4 205,-0.1 -0.030 43.6 -82.3 -61.0 169.2 44.6 34.9 78.3 11 12 A G - 0 0 1 22,-0.5 22,-0.1 202,-0.2 2,-0.1 -0.294 58.4 -82.3 -72.2 161.4 47.5 32.5 78.1 12 13 A E - 0 0 30 -3,-0.1 18,-0.4 17,-0.1 21,-0.4 -0.409 44.3-155.5 -70.6 136.7 47.4 29.4 75.8 13 14 A G > - 0 0 10 16,-0.1 4,-1.3 -2,-0.1 16,-0.1 -0.203 41.0 -74.4 -96.3-168.9 45.7 26.3 77.1 14 15 A A H > S+ 0 0 46 14,-0.5 4,-1.4 2,-0.2 5,-0.1 0.907 125.6 48.6 -55.3 -49.2 46.2 22.6 76.1 15 16 A W H >4>S+ 0 0 22 1,-0.2 5,-1.3 2,-0.2 3,-1.0 0.968 109.6 47.0 -59.8 -60.0 44.3 22.8 72.8 16 17 A N H >45S+ 0 0 28 1,-0.3 3,-1.1 3,-0.3 -1,-0.2 0.794 107.8 60.6 -55.7 -25.4 45.9 25.9 71.3 17 18 A K H 3<5S+ 0 0 169 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.901 109.1 41.0 -68.3 -38.5 49.3 24.4 72.3 18 19 A E T <<5S- 0 0 106 -4,-1.4 -1,-0.3 -3,-1.0 -2,-0.2 0.167 125.8-108.2 -92.3 17.0 48.5 21.4 70.1 19 20 A N T < 5 + 0 0 17 -3,-1.1 80,-2.3 1,-0.2 81,-0.4 0.871 68.7 142.6 60.7 48.3 47.1 23.9 67.5 20 21 A R B < -G 98 0B 55 -5,-1.3 78,-0.2 78,-0.2 2,-0.2 -0.941 57.5-108.6-119.7 139.5 43.3 23.2 67.7 21 22 A F + 0 0 1 76,-2.2 75,-3.0 73,-0.4 76,-0.1 -0.470 39.0 173.2 -62.4 126.6 40.5 25.7 67.5 22 23 A C > + 0 0 5 -2,-0.2 3,-2.2 73,-0.2 -1,-0.2 0.828 18.7 143.5-102.8 -52.5 39.1 26.1 71.1 23 24 A S T 3 S+ 0 0 5 1,-0.3 65,-0.2 67,-0.1 67,-0.1 -0.183 78.5 2.4 52.1-123.7 36.6 28.9 70.8 24 25 A W T 3 S+ 0 0 2 65,-0.1 2,-0.5 63,-0.1 -1,-0.3 0.510 98.1 113.9 -74.8 -5.2 33.5 28.3 73.0 25 26 A V S < S- 0 0 5 -3,-2.2 2,-2.4 1,-0.1 110,-0.1 -0.582 74.5-129.4 -68.2 122.2 34.8 25.1 74.4 26 27 A D + 0 0 43 -2,-0.5 2,-0.1 108,-0.1 -1,-0.1 -0.231 43.1 167.6 -73.0 53.6 35.2 26.0 78.1 27 28 A Q - 0 0 30 -2,-2.4 34,-0.3 1,-0.1 2,-0.1 -0.431 29.9-126.7 -71.3 139.7 38.8 24.8 78.4 28 29 A K - 0 0 102 -2,-0.1 -14,-0.5 1,-0.1 33,-0.1 -0.348 28.4 -93.8 -82.2 164.6 40.7 25.8 81.6 29 30 A L - 0 0 17 -16,-0.1 2,-0.2 31,-0.1 -16,-0.1 -0.379 38.4-136.8 -70.9 155.8 44.1 27.5 81.6 30 31 A N > - 0 0 41 -18,-0.4 4,-2.2 -2,-0.1 5,-0.2 -0.491 37.5 -84.2-103.4-178.6 47.1 25.2 82.0 31 32 A S H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.907 131.1 49.3 -51.3 -47.0 50.1 25.9 84.3 32 33 A E H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 109.5 51.0 -60.5 -44.8 51.8 28.0 81.7 33 34 A G H > S+ 0 0 0 -21,-0.4 4,-1.7 1,-0.2 -22,-0.5 0.852 108.8 51.9 -63.0 -35.0 48.6 30.1 81.1 34 35 A M H X S+ 0 0 65 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.931 109.4 49.0 -66.7 -44.4 48.3 30.7 84.8 35 36 A E H X S+ 0 0 84 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.879 107.5 56.0 -61.9 -38.8 51.8 31.9 85.0 36 37 A E H X S+ 0 0 49 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.895 106.9 49.4 -60.8 -40.9 51.2 34.2 82.0 37 38 A A H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.928 110.1 50.5 -64.1 -45.3 48.3 35.8 83.9 38 39 A R H X S+ 0 0 73 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.890 108.3 53.5 -60.9 -37.8 50.4 36.3 87.0 39 40 A N H X S+ 0 0 71 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.896 107.1 50.6 -64.7 -38.9 53.1 37.9 84.8 40 41 A C H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.910 109.3 52.5 -63.8 -40.6 50.6 40.4 83.4 41 42 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.889 107.8 50.6 -61.3 -40.0 49.5 41.2 86.9 42 43 A K H X S+ 0 0 94 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.841 110.1 50.5 -66.9 -34.6 53.1 41.9 87.9 43 44 A Q H X S+ 0 0 55 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.939 112.2 46.0 -67.6 -47.7 53.5 44.2 84.9 44 45 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 -2,-0.2 0.819 110.8 53.6 -65.6 -30.9 50.4 46.2 85.8 45 46 A K H ><5S+ 0 0 127 -4,-1.9 3,-1.6 3,-0.2 -1,-0.2 0.907 105.0 54.6 -69.4 -39.7 51.5 46.3 89.4 46 47 A A H 3<5S+ 0 0 74 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.864 108.4 48.5 -59.0 -37.9 54.8 47.8 88.3 47 48 A L T 3<5S- 0 0 89 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.424 115.7-123.1 -81.4 0.3 52.8 50.5 86.4 48 49 A N T < 5 - 0 0 135 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.867 41.2-175.6 59.3 41.7 50.8 51.0 89.6 49 50 A F < - 0 0 42 -5,-2.7 2,-0.4 1,-0.1 -1,-0.2 -0.434 14.1-166.3 -69.1 140.9 47.5 50.3 88.0 50 51 A E - 0 0 111 -2,-0.1 131,-0.3 345,-0.0 -1,-0.1 -0.828 14.3-155.3-130.0 89.7 44.5 50.7 90.3 51 52 A F - 0 0 0 -2,-0.4 131,-0.2 1,-0.1 3,-0.1 -0.323 19.1-173.1 -69.4 149.6 41.5 49.1 88.5 52 53 A D S S+ 0 0 42 129,-2.9 2,-0.3 1,-0.4 130,-0.2 0.614 74.0 9.8-110.7 -28.6 37.9 50.2 89.3 53 54 A L E -c 182 0A 35 128,-1.3 130,-1.7 25,-0.1 -1,-0.4 -0.987 59.5-154.1-155.4 147.3 36.2 47.5 87.2 54 55 A V E -cd 183 80A 1 25,-2.3 27,-2.4 -2,-0.3 2,-0.4 -0.985 8.2-163.8-126.5 132.7 37.0 44.3 85.3 55 56 A F E +cd 184 81A 4 128,-2.8 130,-2.7 -2,-0.4 2,-0.2 -0.959 17.2 163.1-117.9 136.0 35.1 42.8 82.4 56 57 A T E -cd 185 82A 0 25,-2.5 27,-2.2 -2,-0.4 30,-0.2 -0.819 36.1-105.9-138.6 177.2 35.4 39.2 81.2 57 58 A S - 0 0 0 128,-0.7 27,-0.2 2,-0.3 -1,-0.1 -0.300 38.6-106.9 -93.0-174.5 33.6 36.7 79.0 58 59 A V S S+ 0 0 10 25,-0.4 2,-0.5 24,-0.1 275,-0.2 0.327 88.7 108.3 -97.9 7.7 31.8 33.7 80.6 59 60 A L S >> S- 0 0 0 24,-0.2 3,-1.6 1,-0.1 4,-1.3 -0.749 75.9-132.6 -81.9 125.3 34.5 31.3 79.4 60 61 A N H 3> S+ 0 0 6 -2,-0.5 4,-2.9 1,-0.3 5,-0.3 0.739 99.3 66.7 -55.5 -25.5 36.3 30.3 82.7 61 62 A R H 3> S+ 0 0 15 -34,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.843 103.8 44.6 -66.8 -30.1 39.8 30.9 81.2 62 63 A S H <> S+ 0 0 0 -3,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.831 114.4 49.8 -80.0 -32.8 39.2 34.7 80.9 63 64 A I H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.935 111.9 47.0 -69.2 -47.4 37.6 34.8 84.4 64 65 A H H X S+ 0 0 22 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.874 109.0 55.3 -62.2 -38.4 40.5 32.9 86.0 65 66 A T H X S+ 0 0 2 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.2 0.945 109.7 46.8 -59.7 -46.3 43.0 35.2 84.1 66 67 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.899 110.3 52.9 -62.4 -41.8 41.3 38.2 85.7 67 68 A W H X S+ 0 0 16 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.872 109.7 48.4 -62.7 -37.9 41.3 36.6 89.1 68 69 A L H X S+ 0 0 22 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.864 110.9 50.2 -70.9 -36.6 45.0 35.9 88.9 69 70 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.944 111.3 48.5 -66.1 -47.1 45.8 39.5 87.8 70 71 A L H X>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 4,-1.0 0.877 110.1 52.3 -61.1 -38.1 43.7 41.0 90.6 71 72 A E H ><5S+ 0 0 58 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.932 108.1 50.8 -63.3 -43.6 45.5 38.7 93.2 72 73 A E H 3<5S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.828 115.3 44.0 -61.6 -31.9 48.8 39.9 91.9 73 74 A L H 3<5S- 0 0 21 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.546 108.7-122.9 -90.1 -9.9 47.6 43.5 92.3 74 75 A G T <<5S+ 0 0 32 -4,-1.0 -3,-0.2 -3,-0.7 3,-0.2 0.836 80.9 118.4 68.8 30.1 46.0 42.9 95.7 75 76 A Q > < + 0 0 15 -5,-3.0 3,-2.3 -6,-0.2 -4,-0.2 -0.074 15.4 132.6-120.3 34.1 42.8 44.1 94.1 76 77 A E T 3 + 0 0 5 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.707 69.1 65.9 -57.7 -20.0 40.6 41.0 94.5 77 78 A W T 3 S+ 0 0 25 237,-0.2 -1,-0.3 -3,-0.2 261,-0.2 0.613 73.9 111.3 -78.8 -13.9 37.8 43.3 95.8 78 79 A V S < S- 0 0 3 -3,-2.3 -25,-0.1 1,-0.1 -26,-0.1 -0.427 81.3-100.9 -64.5 129.8 37.5 45.2 92.5 79 80 A P - 0 0 67 0, 0.0 -25,-2.3 0, 0.0 2,-0.4 -0.214 37.4-161.5 -55.2 134.5 34.1 44.4 90.9 80 81 A V E -d 54 0A 35 256,-0.4 256,-0.4 -27,-0.2 2,-0.4 -0.936 6.2-170.1-118.4 140.3 34.1 41.9 88.0 81 82 A E E -d 55 0A 55 -27,-2.4 -25,-2.5 -2,-0.4 2,-0.4 -0.999 5.7-161.2-131.9 132.1 31.4 41.5 85.4 82 83 A S E +d 56 0A 34 -2,-0.4 2,-0.3 251,-0.2 -25,-0.3 -0.929 11.9 173.9-117.3 138.2 31.2 38.5 83.0 83 84 A S > - 0 0 13 -27,-2.2 3,-1.9 -2,-0.4 -25,-0.4 -1.000 39.6-135.1-144.7 141.9 29.3 38.4 79.7 84 85 A W G > S+ 0 0 15 -2,-0.3 3,-1.9 1,-0.3 -27,-0.1 0.739 102.4 76.7 -64.0 -20.0 28.9 36.0 76.8 85 86 A R G 3 S+ 0 0 40 1,-0.3 -1,-0.3 79,-0.1 82,-0.1 0.642 94.2 48.4 -67.5 -10.7 29.2 39.1 74.6 86 87 A L G < S+ 0 0 2 -3,-1.9 101,-0.3 -30,-0.2 -1,-0.3 0.330 87.2 127.4-105.9 2.3 32.9 39.1 75.3 87 88 A N S < S- 0 0 0 -3,-1.9 100,-0.1 -4,-0.1 3,-0.1 -0.159 71.9 -92.5 -57.0 153.8 33.2 35.4 74.5 88 89 A E - 0 0 15 -65,-0.2 -1,-0.1 1,-0.2 -64,-0.0 -0.252 60.5 -76.1 -63.1 157.3 35.8 34.3 71.9 89 90 A R - 0 0 0 1,-0.1 2,-0.8 -3,-0.1 -1,-0.2 -0.306 50.2-114.0 -58.5 138.5 34.5 34.1 68.3 90 91 A H - 0 0 0 66,-0.2 65,-2.4 -67,-0.1 -1,-0.1 -0.669 26.2-166.8 -79.0 110.9 32.4 31.0 67.7 91 92 A Y > - 0 0 7 -2,-0.8 3,-2.0 1,-0.2 4,-0.2 0.304 19.2-161.1 -81.9 10.1 34.3 28.8 65.3 92 93 A G G > - 0 0 0 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 -0.119 69.1 -0.9 48.9-135.3 31.3 26.5 64.6 93 94 A A G 3 S+ 0 0 32 30,-2.3 -1,-0.3 1,-0.3 4,-0.1 0.706 125.7 70.6 -59.2 -21.0 32.2 23.1 63.0 94 95 A L G X S+ 0 0 8 -3,-2.0 3,-2.1 29,-0.5 -73,-0.4 0.650 71.3 116.7 -71.9 -14.5 35.9 24.1 63.0 95 96 A I T < S+ 0 0 1 -3,-2.1 -73,-0.2 1,-0.3 36,-0.2 -0.318 82.2 13.6 -56.8 131.0 35.9 23.8 66.8 96 97 A G T 3 S+ 0 0 8 -75,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.219 99.6 122.5 87.8 -15.5 38.3 21.1 67.9 97 98 A L < - 0 0 70 -3,-2.1 -76,-2.2 -4,-0.1 2,-0.5 -0.482 68.7-107.9 -82.8 152.8 39.9 20.8 64.5 98 99 A N B > -G 20 0B 55 -78,-0.2 4,-1.9 -2,-0.2 -78,-0.2 -0.676 18.4-146.1 -82.4 124.6 43.7 21.2 64.0 99 100 A R H > S+ 0 0 13 -80,-2.3 4,-1.5 -2,-0.5 -1,-0.1 0.863 99.1 48.8 -57.9 -42.0 44.6 24.5 62.2 100 101 A E H > S+ 0 0 75 -81,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.853 109.2 53.8 -68.4 -33.4 47.6 23.0 60.3 101 102 A Q H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.885 107.3 51.2 -66.2 -38.4 45.4 20.1 59.2 102 103 A M H X S+ 0 0 12 -4,-1.9 4,-3.2 1,-0.2 5,-0.4 0.846 107.6 53.0 -66.9 -33.5 42.9 22.5 57.8 103 104 A A H X S+ 0 0 3 -4,-1.5 4,-1.4 3,-0.2 -1,-0.2 0.864 111.5 46.0 -68.4 -37.1 45.7 24.3 55.9 104 105 A L H < S+ 0 0 106 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.874 120.1 40.1 -72.0 -37.8 46.7 20.9 54.4 105 106 A N H < S+ 0 0 92 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.852 134.9 15.9 -80.5 -37.3 43.1 20.1 53.5 106 107 A H H < S- 0 0 97 -4,-3.2 4,-0.4 -5,-0.2 -3,-0.2 0.483 109.6-105.2-118.1 -5.1 41.8 23.5 52.4 107 108 A G X - 0 0 29 -4,-1.4 4,-1.6 -5,-0.4 -3,-0.1 0.088 29.6 -88.7 94.5 151.2 45.0 25.5 51.7 108 109 A E H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.846 121.8 59.0 -64.1 -36.1 46.7 28.3 53.6 109 110 A E H > S+ 0 0 173 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.938 107.5 44.9 -59.7 -49.0 44.7 31.0 51.8 110 111 A Q H > S+ 0 0 68 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.864 112.1 52.6 -63.9 -37.9 41.3 29.6 53.0 111 112 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.886 106.8 52.6 -66.3 -38.5 42.5 29.1 56.5 112 113 A R H X>S+ 0 0 112 -4,-2.2 4,-3.0 2,-0.2 5,-0.6 0.899 110.2 49.4 -64.3 -38.3 43.7 32.7 56.7 113 114 A L H X5S+ 0 0 62 -4,-1.8 4,-1.9 3,-0.2 7,-0.2 0.958 111.8 47.1 -64.9 -49.8 40.2 33.8 55.6 114 115 A W H <5S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.919 121.1 38.4 -56.4 -45.5 38.5 31.6 58.2 115 116 A R H <5S+ 0 0 13 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.908 133.6 13.2 -74.0 -46.0 40.8 32.9 60.9 116 117 A R H <5S+ 0 0 18 -4,-3.0 -3,-0.2 -5,-0.2 93,-0.2 0.547 91.2 108.1-115.7 -7.9 41.3 36.5 60.2 117 118 A S << - 0 0 9 -4,-1.9 40,-0.5 -5,-0.6 87,-0.1 -0.205 59.8-137.7 -68.1 165.0 38.8 37.8 57.6 118 119 A Y S S+ 0 0 24 85,-0.4 40,-2.5 39,-0.1 39,-0.3 0.896 94.3 27.8 -89.1 -45.4 36.0 40.1 58.7 119 120 A N S S+ 0 0 88 38,-0.2 2,-0.2 37,-0.2 37,-0.1 0.653 86.7 108.1 -95.6 -18.5 33.1 38.6 56.7 120 121 A V - 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0 0 57 -2,-0.3 -2,-0.1 1,-0.2 -152,-0.0 -0.543 51.3 -81.3 -82.4 148.7 52.1 24.1 56.3 254 255 A K 0 0 78 -2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.068 360.0 360.0 -46.9 155.3 55.6 22.9 57.4 255 256 A Q 0 0 152 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.833 360.0 360.0 31.1 360.0 58.8 24.3 55.8 256 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 257 2 B S 0 0 74 0, 0.0 221,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 161.6 11.1 25.7 103.3 258 3 B K + 0 0 129 219,-0.8 2,-0.3 1,-0.1 220,-0.2 0.931 360.0 21.7 -71.4 -46.3 10.2 28.4 100.8 259 4 B Y E -H 477 0C 30 218,-2.4 218,-2.3 2,-0.0 2,-0.4 -0.903 65.1-156.4-124.8 154.3 13.8 29.7 100.3 260 5 B K E -H 476 0C 117 -2,-0.3 178,-0.5 216,-0.2 2,-0.3 -0.976 12.7-178.8-128.6 141.8 17.3 28.2 100.8 261 6 B L E -Hi 475 438C 1 214,-2.2 214,-2.8 -2,-0.4 2,-0.4 -0.987 15.1-146.6-141.4 148.3 20.5 30.0 101.4 262 7 B I E +Hi 474 439C 0 176,-2.2 178,-2.8 -2,-0.3 2,-0.3 -0.963 21.6 166.6-119.5 129.9 24.1 29.0 101.9 263 8 B M E +Hi 473 440C 0 210,-2.2 210,-2.7 -2,-0.4 2,-0.3 -0.939 4.7 162.9-135.6 159.4 26.6 30.9 104.1 264 9 B L E - i 0 441C 0 176,-1.7 178,-2.6 -2,-0.3 2,-0.4 -0.988 34.4-117.3-168.1 163.5 30.0 30.0 105.4 265 10 B R E - i 0 442C 32 203,-0.4 205,-1.6 206,-0.4 206,-0.4 -0.874 44.2-106.9-108.7 146.3 33.3 31.3 106.9 266 11 B H - 0 0 12 176,-1.2 204,-0.4 -2,-0.4 -1,-0.1 -0.055 36.1 -93.1 -66.8 170.0 36.5 30.8 105.0 267 12 B G - 0 0 0 22,-0.5 22,-0.2 202,-0.2 -1,-0.1 -0.033 59.9 -61.7 -73.1-175.4 39.3 28.3 105.8 268 13 B E - 0 0 36 17,-0.1 18,-1.9 201,-0.1 21,-0.3 -0.145 42.6-163.7 -72.8 163.2 42.3 29.1 107.8 269 14 B G B >> -N 285 0D 4 16,-0.3 3,-1.6 20,-0.1 4,-0.7 -0.633 46.5 -77.7-128.7-173.0 45.1 31.6 107.3 270 15 B A H >> S+ 0 0 43 14,-0.7 4,-1.4 1,-0.3 3,-0.9 0.884 126.3 58.4 -59.6 -40.8 48.6 32.0 108.8 271 16 B W H 34>S+ 0 0 16 1,-0.2 5,-2.5 2,-0.2 -1,-0.3 0.421 92.0 71.5 -72.5 4.0 47.3 33.5 112.0 272 17 B N H <45S+ 0 0 46 -3,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.862 102.4 40.6 -83.7 -39.7 45.3 30.4 112.7 273 18 B K H <<5S+ 0 0 88 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.1 0.862 119.2 46.8 -73.4 -36.2 48.3 28.4 113.5 274 19 B E T <5S- 0 0 91 -4,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.622 106.3-137.3 -78.2 -14.0 49.7 31.4 115.4 275 20 B N T 5 + 0 0 17 1,-0.2 80,-2.2 -5,-0.2 81,-0.4 0.944 49.3 147.0 54.4 56.3 46.3 31.7 117.0 276 21 B R B < -O 354 0E 56 -5,-2.5 2,-0.4 78,-0.3 78,-0.2 -0.927 58.8 -99.7-122.0 145.9 46.1 35.5 116.7 277 22 B F + 0 0 3 76,-2.2 75,-3.0 73,-0.4 76,-0.1 -0.496 42.2 175.2 -64.3 118.0 43.1 37.8 116.2 278 23 B C > + 0 0 18 -2,-0.4 3,-2.2 73,-0.2 -1,-0.2 0.907 19.5 143.3 -91.7 -53.9 43.2 38.6 112.5 279 24 B S T 3 S+ 0 0 4 1,-0.3 65,-0.2 67,-0.1 4,-0.2 -0.183 78.2 1.2 53.0-128.8 40.0 40.6 112.0 280 25 B W T 3 S+ 0 0 2 65,-0.1 2,-0.4 63,-0.1 -1,-0.3 0.520 99.7 114.6 -71.0 -4.5 40.3 43.4 109.4 281 26 B V S < S- 0 0 18 -3,-2.2 2,-2.5 1,-0.1 110,-0.1 -0.559 74.7-128.8 -67.7 123.9 43.9 42.5 108.7 282 27 B D + 0 0 48 -2,-0.4 -1,-0.1 108,-0.2 2,-0.1 -0.225 44.0 168.0 -74.1 54.3 43.8 41.4 105.1 283 28 B Q - 0 0 34 -2,-2.5 34,-0.4 -4,-0.2 2,-0.1 -0.390 30.1-124.6 -71.0 144.6 45.6 38.1 105.6 284 29 B K - 0 0 101 1,-0.1 -14,-0.7 32,-0.1 2,-0.1 -0.447 27.4 -97.3 -85.6 160.7 45.5 35.5 102.8 285 30 B L B -N 269 0D 14 -16,-0.2 -16,-0.3 -2,-0.1 2,-0.2 -0.426 39.6-136.0 -70.2 150.9 44.4 32.0 103.1 286 31 B N > - 0 0 37 -18,-1.9 4,-2.0 -2,-0.1 5,-0.2 -0.440 36.9 -82.0 -99.3-178.8 47.1 29.5 103.6 287 32 B S H > S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.893 131.6 45.3 -48.6 -48.5 47.5 26.1 101.8 288 33 B E H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 108.7 55.6 -66.1 -40.3 45.1 24.4 104.2 289 34 B G H > S+ 0 0 0 -21,-0.3 4,-1.5 1,-0.2 -22,-0.5 0.840 107.0 51.2 -62.3 -33.3 42.5 27.2 104.0 290 35 B M H X S+ 0 0 66 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.907 109.1 49.4 -70.0 -42.0 42.4 26.9 100.2 291 36 B E H X S+ 0 0 73 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.879 106.3 57.3 -64.7 -36.9 41.8 23.2 100.4 292 37 B E H X S+ 0 0 38 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.913 107.4 48.6 -59.2 -40.6 39.0 23.9 102.9 293 38 B A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.884 109.6 51.2 -67.1 -38.8 37.4 26.0 100.3 294 39 B R H X S+ 0 0 71 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.896 108.5 52.0 -66.1 -37.8 37.8 23.3 97.6 295 40 B N H X S+ 0 0 87 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.858 107.3 53.1 -66.5 -33.7 36.2 20.8 99.9 296 41 B C H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.933 109.0 49.0 -65.5 -45.3 33.3 23.2 100.4 297 42 B G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.905 111.2 49.5 -60.9 -41.5 32.8 23.5 96.7 298 43 B K H X S+ 0 0 102 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.890 110.9 49.9 -65.5 -38.2 32.9 19.7 96.3 299 44 B Q H X S+ 0 0 62 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.892 112.3 47.6 -67.1 -38.3 30.3 19.3 99.0 300 45 B L H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.5 0.860 110.6 51.5 -70.8 -34.5 28.1 21.9 97.4 301 46 B K H ><5S+ 0 0 133 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.872 103.8 58.3 -68.4 -35.3 28.5 20.2 94.0 302 47 B A H 3<5S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.716 108.2 47.1 -66.1 -19.7 27.5 16.9 95.6 303 48 B L T <<5S- 0 0 72 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.157 115.8-115.9-107.4 15.4 24.2 18.6 96.6 304 49 B N T < 5 + 0 0 132 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.682 47.7 176.0 60.8 23.6 23.6 20.1 93.2 305 50 B F < - 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0 0 73 0, 0.0 -25,-2.2 0, 0.0 2,-0.4 -0.216 36.2-158.6 -54.8 133.8 28.1 37.2 89.6 336 81 B V E -k 310 0C 37 -256,-0.4 -256,-0.4 -27,-0.2 2,-0.4 -0.927 7.6-171.0-117.2 140.2 30.1 38.1 92.7 337 82 B E E -k 311 0C 58 -27,-2.7 -25,-2.3 -2,-0.4 2,-0.4 -0.997 6.2-160.9-131.9 136.0 29.4 41.2 94.8 338 83 B S E +k 312 0C 38 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.922 10.9 173.8-122.0 145.3 31.7 42.4 97.7 339 84 B S > - 0 0 13 -27,-1.8 3,-1.8 -2,-0.4 -25,-0.4 -0.997 38.8-134.7-150.0 143.0 31.0 44.7 100.6 340 85 B W G > S+ 0 0 16 -2,-0.3 3,-1.8 1,-0.3 -27,-0.1 0.732 102.7 76.6 -65.5 -19.2 32.9 45.9 103.8 341 86 B R G 3 S+ 0 0 35 1,-0.3 -1,-0.3 79,-0.1 82,-0.1 0.610 93.3 50.0 -69.1 -8.0 29.5 45.3 105.5 342 87 B L G < S+ 0 0 3 -3,-1.8 101,-0.3 -30,-0.2 -1,-0.3 0.391 85.9 125.2-105.8 -2.4 30.3 41.6 105.4 343 88 B N S < S- 0 0 0 -3,-1.8 3,-0.1 -4,-0.2 100,-0.1 -0.140 72.2 -91.4 -55.1 153.7 33.8 42.1 106.9 344 89 B E - 0 0 14 -65,-0.2 -1,-0.1 1,-0.2 -64,-0.0 -0.218 60.1 -74.2 -63.7 156.7 34.7 40.2 110.0 345 90 B R - 0 0 0 1,-0.1 2,-0.8 -3,-0.1 -1,-0.2 -0.275 52.5-114.0 -54.2 136.3 34.1 41.8 113.4 346 91 B H - 0 0 0 66,-0.2 65,-2.5 -67,-0.1 -1,-0.1 -0.668 26.0-165.7 -78.5 111.1 36.6 44.6 114.0 347 92 B Y > - 0 0 7 -2,-0.8 3,-1.9 1,-0.2 4,-0.2 0.391 19.0-164.5 -79.8 5.4 38.7 43.4 117.0 348 93 B G G > + 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 -0.176 68.1 0.7 51.3-130.7 40.2 46.8 117.5 349 94 B A G 3 S+ 0 0 34 30,-3.4 -1,-0.3 1,-0.3 4,-0.1 0.715 124.8 70.2 -62.3 -22.9 43.3 46.9 119.7 350 95 B L G X S+ 0 0 18 -3,-1.9 3,-2.1 29,-0.4 -73,-0.4 0.623 70.9 119.0 -72.0 -11.7 43.1 43.1 120.2 351 96 B I T < S+ 0 0 2 -3,-1.7 -73,-0.2 1,-0.3 36,-0.1 -0.320 79.1 16.4 -58.0 130.3 44.2 42.6 116.5 352 97 B G T 3 S+ 0 0 8 -75,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.217 95.9 127.6 92.1 -15.1 47.4 40.7 116.3 353 98 B L < - 0 0 65 -3,-2.1 -76,-2.2 -76,-0.1 2,-0.5 -0.478 65.4-112.6 -79.2 147.2 47.3 39.4 119.9 354 99 B N B > -O 276 0E 54 -78,-0.2 4,-2.2 -2,-0.2 -78,-0.3 -0.682 19.0-149.6 -81.7 121.1 47.6 35.7 120.7 355 100 B R H > S+ 0 0 27 -80,-2.2 4,-1.9 -2,-0.5 -1,-0.1 0.880 95.2 47.0 -56.2 -47.9 44.4 34.2 122.0 356 101 B E H > S+ 0 0 91 -81,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.879 110.2 54.1 -65.8 -37.0 45.9 31.6 124.3 357 102 B Q H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.935 109.8 47.2 -61.1 -46.1 48.4 34.1 125.7 358 103 B M H X S+ 0 0 27 -4,-2.2 4,-3.2 1,-0.2 5,-0.4 0.861 109.8 53.7 -63.1 -35.9 45.5 36.4 126.6 359 104 B A H X S+ 0 0 2 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.868 109.5 48.4 -66.4 -36.6 43.6 33.5 128.2 360 105 B L H < S+ 0 0 106 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.895 119.0 39.3 -69.0 -40.9 46.7 32.7 130.3 361 106 B N H < S+ 0 0 90 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.864 132.7 19.9 -79.1 -39.7 47.0 36.3 131.4 362 107 B H H < S- 0 0 103 -4,-3.2 4,-0.3 -5,-0.2 -3,-0.2 0.495 114.4 -96.5-111.0 -6.7 43.3 37.3 131.9 363 108 B G X - 0 0 22 -4,-1.5 4,-1.9 -5,-0.4 3,-0.4 0.184 27.3 -97.4 99.9 140.1 41.6 34.0 132.2 364 109 B E H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.858 122.8 56.4 -58.2 -38.1 39.7 31.8 129.7 365 110 B E H > S+ 0 0 153 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 106.2 50.3 -62.4 -38.1 36.4 33.2 130.9 366 111 B Q H > S+ 0 0 72 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.919 112.5 45.7 -66.8 -44.2 37.5 36.7 130.1 367 112 B V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.884 110.9 53.3 -65.7 -39.6 38.7 35.8 126.6 368 113 B R H X S+ 0 0 122 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.878 107.8 51.7 -63.6 -37.4 35.5 33.9 125.9 369 114 B L H X S+ 0 0 67 -4,-1.8 4,-2.4 1,-0.2 7,-0.2 0.951 111.7 46.1 -64.1 -48.4 33.5 37.0 126.9 370 115 B W H < S+ 0 0 65 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.860 116.7 45.5 -62.8 -35.7 35.5 39.1 124.5 371 116 B R H < S+ 0 0 12 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.898 128.5 19.1 -76.1 -41.4 35.2 36.6 121.7 372 117 B R H < S+ 0 0 15 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.520 85.9 119.5-113.0 -5.5 31.5 35.7 121.9 373 118 B S < - 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