==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-JUL-05 2A9J . COMPND 2 MOLECULE: BISPHOSPHOGLYCERATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.WANG,W.GONG . 506 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.9 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 . 23 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.2 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 4 0 0 2 2 0 0 3 1 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 . 6 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 3 A K 0 0 82 0, 0.0 2,-0.3 0, 0.0 220,-0.2 0.000 360.0 360.0 360.0 134.2 42.0 61.3 76.8 2 4 A Y E -A 220 0A 50 218,-2.9 218,-3.2 2,-0.0 2,-0.4 -0.968 360.0-152.9-133.1 147.7 41.3 58.0 78.5 3 5 A K E +A 219 0A 140 -2,-0.3 178,-0.4 216,-0.2 2,-0.3 -0.952 15.1 172.3-124.5 143.7 43.3 54.8 78.8 4 6 A L E -A 218 0A 4 214,-2.1 214,-1.8 -2,-0.4 2,-0.4 -0.932 24.1-129.5-140.9 165.3 42.2 51.2 79.3 5 7 A I E +Ab 217 182A 2 176,-2.2 178,-2.5 -2,-0.3 2,-0.3 -0.958 24.7 172.1-120.2 133.2 43.8 47.8 79.3 6 8 A M E +Ab 216 183A 1 210,-2.0 210,-2.7 -2,-0.4 2,-0.3 -0.971 9.0 171.5-135.6 150.4 42.5 44.8 77.3 7 9 A L E - b 0 184A 0 176,-2.2 178,-2.6 -2,-0.3 2,-0.4 -0.992 33.2-116.7-157.1 163.4 44.2 41.5 76.9 8 10 A R E - b 0 185A 26 206,-0.4 205,-2.1 203,-0.4 206,-0.4 -0.862 43.4-110.7-102.9 135.4 43.8 38.0 75.6 9 11 A H - 0 0 10 176,-1.4 204,-0.6 -2,-0.4 52,-0.1 -0.063 40.1 -92.1 -60.7 167.0 44.0 35.2 78.2 10 12 A G - 0 0 0 22,-0.4 22,-0.2 50,-0.2 -1,-0.1 0.006 57.5 -55.5 -73.5-177.0 47.0 32.8 78.4 11 13 A E - 0 0 46 20,-0.1 18,-1.8 201,-0.1 21,-0.4 -0.135 45.7-168.0 -62.2 150.9 47.5 29.5 76.8 12 14 A G B >> -G 28 0B 4 16,-0.2 3,-1.9 20,-0.1 4,-0.7 -0.779 43.1 -89.8-129.5 173.5 45.3 26.4 77.1 13 15 A A H >> S+ 0 0 46 14,-0.6 4,-1.1 1,-0.3 3,-0.6 0.877 124.6 56.9 -55.3 -41.9 45.8 22.8 76.2 14 16 A W H 34>S+ 0 0 17 1,-0.2 5,-2.5 2,-0.2 4,-0.5 0.538 92.2 74.0 -69.9 -4.6 44.4 23.3 72.7 15 17 A N H <45S+ 0 0 39 -3,-1.9 3,-0.2 2,-0.2 -1,-0.2 0.936 103.4 35.6 -72.5 -47.8 47.0 26.0 72.1 16 18 A K H <<5S+ 0 0 86 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.728 117.5 54.3 -76.7 -23.6 49.9 23.6 71.7 17 19 A E T <5S- 0 0 88 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.623 106.8-134.3 -82.1 -14.7 47.6 21.1 70.0 18 20 A N T 5 + 0 0 17 -4,-0.5 80,-2.5 -3,-0.2 81,-0.4 0.923 52.0 146.3 60.8 49.7 46.7 23.9 67.6 19 21 A R B < -H 97 0C 54 -5,-2.5 78,-0.2 78,-0.3 -1,-0.2 -0.951 57.2-107.3-120.3 135.9 43.0 23.3 67.7 20 22 A F + 0 0 1 76,-2.3 75,-3.0 -2,-0.4 76,-0.1 -0.398 38.9 175.1 -58.5 125.9 40.2 25.9 67.4 21 23 A C > + 0 0 17 73,-0.2 3,-2.2 -2,-0.1 -1,-0.2 0.845 19.5 143.9-100.4 -53.4 38.8 26.3 70.9 22 24 A S T 3 S+ 0 0 5 1,-0.3 65,-0.2 67,-0.1 4,-0.2 -0.216 78.7 1.9 53.3-123.4 36.3 29.1 70.6 23 25 A W T 3 S+ 0 0 2 65,-0.1 2,-0.3 63,-0.1 -1,-0.3 0.483 98.5 113.2 -77.2 -2.2 33.2 28.5 72.8 24 26 A V S < S- 0 0 7 -3,-2.2 2,-1.8 1,-0.1 71,-0.0 -0.583 75.3-127.4 -68.2 131.5 34.5 25.3 74.3 25 27 A D + 0 0 42 -2,-0.3 -1,-0.1 34,-0.1 2,-0.1 -0.278 44.4 167.8 -80.6 55.1 35.0 26.2 78.0 26 28 A Q - 0 0 34 -2,-1.8 34,-0.3 -4,-0.2 2,-0.1 -0.418 29.4-127.4 -71.7 141.6 38.6 25.0 78.2 27 29 A K - 0 0 98 1,-0.1 -14,-0.6 -2,-0.1 2,-0.1 -0.375 27.8 -95.8 -83.3 164.7 40.6 26.0 81.3 28 30 A L B -G 12 0B 13 -16,-0.2 -16,-0.2 31,-0.1 2,-0.2 -0.413 38.3-137.2 -72.5 155.1 44.0 27.6 81.3 29 31 A N > - 0 0 32 -18,-1.8 4,-2.1 -2,-0.1 5,-0.2 -0.420 38.9 -81.5-101.2-173.6 46.9 25.3 81.7 30 32 A S H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.908 131.5 49.7 -55.0 -45.7 49.9 25.9 83.9 31 33 A E H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 109.5 50.6 -61.9 -42.5 51.5 28.1 81.3 32 34 A G H > S+ 0 0 0 -21,-0.4 4,-1.7 2,-0.2 -22,-0.4 0.861 107.9 52.8 -64.8 -37.1 48.4 30.2 80.8 33 35 A M H X S+ 0 0 81 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.926 109.6 49.3 -63.8 -43.9 48.0 30.8 84.5 34 36 A E H X S+ 0 0 94 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.871 106.1 56.6 -62.1 -38.4 51.6 32.1 84.6 35 37 A E H X S+ 0 0 38 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.894 107.1 49.8 -60.7 -38.6 50.9 34.3 81.7 36 38 A A H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.916 109.8 49.6 -66.6 -43.4 48.1 35.9 83.7 37 39 A R H X S+ 0 0 65 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.886 108.9 53.4 -64.4 -35.8 50.3 36.4 86.7 38 40 A N H X S+ 0 0 73 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.899 108.0 50.1 -65.1 -39.6 53.0 38.0 84.5 39 41 A C H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.907 109.9 51.6 -63.3 -41.6 50.3 40.5 83.1 40 42 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.911 108.9 50.1 -61.5 -42.4 49.4 41.2 86.7 41 43 A K H X S+ 0 0 106 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.889 110.7 49.3 -64.1 -40.7 53.0 41.9 87.6 42 44 A Q H X S+ 0 0 55 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.950 112.6 47.2 -63.5 -47.8 53.4 44.3 84.7 43 45 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 -2,-0.2 0.865 111.2 52.0 -62.5 -35.0 50.2 46.1 85.6 44 46 A K H ><5S+ 0 0 132 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.906 104.7 56.0 -67.3 -40.3 51.4 46.3 89.2 45 47 A A H 3<5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.880 107.3 49.5 -56.7 -39.1 54.7 47.8 88.1 46 48 A L T 3<5S- 0 0 92 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.373 115.7-121.3 -82.1 4.6 52.7 50.5 86.3 47 49 A N T < 5 - 0 0 117 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.840 43.3-177.3 58.5 38.4 50.8 51.1 89.5 48 50 A F < - 0 0 42 -5,-2.5 2,-0.4 1,-0.1 -1,-0.2 -0.426 14.5-167.8 -67.6 139.9 47.4 50.3 87.9 49 51 A E - 0 0 93 -2,-0.1 131,-0.3 132,-0.0 -1,-0.1 -0.845 14.6-153.6-130.2 92.4 44.4 50.7 90.2 50 52 A F - 0 0 0 -2,-0.4 131,-0.2 1,-0.1 3,-0.1 -0.336 19.5-173.8 -70.5 149.1 41.4 49.2 88.4 51 53 A D S S+ 0 0 47 129,-2.9 2,-0.3 1,-0.4 130,-0.2 0.609 74.2 11.8-110.9 -26.6 37.8 50.3 89.2 52 54 A L E -c 181 0A 35 128,-1.3 130,-1.8 25,-0.1 2,-0.4 -0.987 59.1-155.7-155.1 145.6 36.0 47.7 87.0 53 55 A V E -cd 182 79A 1 25,-2.3 27,-2.7 -2,-0.3 2,-0.4 -0.988 8.6-164.8-126.1 130.7 36.8 44.4 85.2 54 56 A F E +cd 183 80A 8 128,-2.7 130,-2.5 -2,-0.4 2,-0.2 -0.956 17.0 162.8-116.7 135.3 34.9 43.0 82.3 55 57 A T E -cd 184 81A 0 25,-2.7 27,-2.5 -2,-0.4 30,-0.2 -0.804 35.7-107.2-138.3 177.4 35.2 39.5 81.1 56 58 A S - 0 0 0 128,-0.6 27,-0.2 2,-0.3 -1,-0.1 -0.284 38.8-106.2 -93.9-172.2 33.4 36.9 78.9 57 59 A V S S+ 0 0 8 25,-0.4 2,-0.6 24,-0.1 274,-0.2 0.333 88.9 107.1-100.4 8.2 31.6 33.9 80.5 58 60 A L S >> S- 0 0 0 24,-0.2 3,-1.8 1,-0.1 4,-1.2 -0.765 76.0-132.8 -83.8 124.7 34.3 31.5 79.3 59 61 A N H 3> S+ 0 0 6 -2,-0.6 4,-3.1 1,-0.3 5,-0.3 0.725 99.0 67.6 -56.0 -23.7 36.1 30.6 82.5 60 62 A R H 3> S+ 0 0 12 -34,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.825 103.0 45.0 -68.4 -28.5 39.6 31.1 81.0 61 63 A S H <> S+ 0 0 0 -3,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.822 115.3 48.9 -80.9 -31.0 39.0 34.9 80.7 62 64 A I H X S+ 0 0 1 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.923 111.6 46.8 -72.1 -46.3 37.5 34.9 84.2 63 65 A H H X S+ 0 0 24 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.882 110.7 54.3 -63.5 -37.5 40.4 33.0 85.8 64 66 A T H X S+ 0 0 1 -4,-1.3 4,-2.0 -5,-0.3 -1,-0.2 0.952 109.7 47.0 -60.5 -47.7 42.8 35.3 83.9 65 67 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.905 111.2 51.6 -60.2 -43.4 41.1 38.3 85.4 66 68 A W H X S+ 0 0 15 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.873 109.4 49.8 -62.2 -38.9 41.2 36.7 88.9 67 69 A L H X S+ 0 0 23 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.858 110.8 49.7 -68.6 -36.9 44.9 36.0 88.7 68 70 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.932 111.0 48.8 -67.4 -45.1 45.6 39.6 87.6 69 71 A L H X>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 4,-1.0 0.850 110.3 52.2 -63.9 -34.5 43.6 41.0 90.5 70 72 A E H ><5S+ 0 0 40 -4,-1.8 3,-0.8 2,-0.2 -1,-0.2 0.939 107.3 51.1 -66.8 -45.3 45.4 38.7 92.9 71 73 A E H 3<5S+ 0 0 43 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.856 115.4 44.1 -57.8 -35.0 48.8 39.9 91.7 72 74 A L H 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.586 108.3-123.2 -86.6 -12.9 47.5 43.5 92.2 73 75 A G T <<5S+ 0 0 32 -4,-1.0 -3,-0.2 -3,-0.8 3,-0.2 0.832 79.9 118.8 71.7 30.5 45.9 42.9 95.6 74 76 A Q > < + 0 0 16 -5,-2.9 3,-2.3 -6,-0.2 -4,-0.2 -0.098 15.9 135.1-120.7 36.1 42.7 44.2 94.1 75 77 A E T 3 + 0 0 5 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.687 68.5 65.5 -57.9 -19.3 40.4 41.1 94.4 76 78 A W T 3 S+ 0 0 24 236,-0.2 -1,-0.3 -3,-0.2 260,-0.2 0.572 73.2 114.4 -80.8 -10.7 37.7 43.4 95.7 77 79 A V S < S- 0 0 3 -3,-2.3 -25,-0.1 1,-0.1 -26,-0.1 -0.442 79.8-101.5 -65.1 127.7 37.4 45.3 92.4 78 80 A P - 0 0 68 0, 0.0 -25,-2.3 0, 0.0 2,-0.4 -0.179 38.2-161.4 -52.4 133.3 34.0 44.6 90.7 79 81 A V E -d 53 0A 35 255,-0.4 255,-0.5 -27,-0.2 2,-0.4 -0.956 7.6-171.7-119.7 136.7 34.0 42.0 87.9 80 82 A E E -d 54 0A 58 -27,-2.7 -25,-2.7 -2,-0.4 2,-0.4 -0.998 5.4-163.0-129.8 131.5 31.2 41.7 85.3 81 83 A S E +d 55 0A 33 -2,-0.4 2,-0.3 250,-0.2 -25,-0.3 -0.945 11.2 174.0-118.0 135.3 31.1 38.8 82.8 82 84 A S > - 0 0 14 -27,-2.5 3,-1.6 -2,-0.4 -25,-0.4 -0.992 40.1-132.8-140.7 146.7 29.1 38.6 79.6 83 85 A W G > S+ 0 0 13 -2,-0.3 3,-1.9 1,-0.3 -27,-0.1 0.716 102.4 77.5 -66.4 -18.4 28.7 36.3 76.6 84 86 A R G 3 S+ 0 0 40 1,-0.3 -1,-0.3 -29,-0.1 82,-0.1 0.629 94.2 47.6 -69.0 -9.7 29.1 39.4 74.5 85 87 A L G < S+ 0 0 2 -3,-1.6 101,-0.3 -30,-0.2 -1,-0.3 0.309 87.0 128.0-107.8 3.4 32.8 39.3 75.1 86 88 A N S < S- 0 0 0 -3,-1.9 3,-0.1 -31,-0.1 100,-0.1 -0.204 71.8 -93.4 -57.7 151.1 33.0 35.6 74.3 87 89 A E - 0 0 10 -65,-0.2 -1,-0.1 1,-0.2 -2,-0.0 -0.233 60.1 -75.3 -61.6 157.4 35.6 34.5 71.7 88 90 A R - 0 0 0 1,-0.1 2,-0.7 -3,-0.1 -1,-0.2 -0.311 50.9-114.0 -57.6 136.5 34.3 34.4 68.2 89 91 A H - 0 0 0 66,-0.2 65,-2.7 -67,-0.1 -1,-0.1 -0.650 25.6-165.1 -77.5 111.6 32.2 31.2 67.6 90 92 A Y > - 0 0 8 -2,-0.7 3,-1.9 1,-0.2 4,-0.2 0.302 19.4-159.6 -81.9 10.4 34.1 29.0 65.1 91 93 A G G > - 0 0 0 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 -0.165 68.8 -2.2 51.3-132.5 31.0 26.9 64.4 92 94 A A G 3 S+ 0 0 32 30,-3.3 -1,-0.3 1,-0.3 4,-0.1 0.704 125.8 71.0 -64.0 -21.1 31.9 23.4 62.9 93 95 A L G X + 0 0 7 -3,-1.9 3,-2.4 29,-0.5 -73,-0.4 0.656 69.9 117.8 -71.6 -15.4 35.6 24.3 62.9 94 96 A I T < S+ 0 0 1 -3,-1.6 -73,-0.2 1,-0.3 36,-0.2 -0.287 81.5 15.2 -54.7 132.0 35.6 24.1 66.7 95 97 A G T 3 S+ 0 0 10 -75,-3.0 -1,-0.3 1,-0.3 2,-0.1 0.227 98.4 124.9 87.8 -15.0 38.0 21.3 67.8 96 98 A L < - 0 0 67 -3,-2.4 -76,-2.3 -77,-0.1 2,-0.5 -0.459 67.5-108.8 -80.8 153.0 39.6 21.0 64.4 97 99 A N B > -H 19 0C 56 -78,-0.2 4,-2.2 1,-0.1 -78,-0.3 -0.686 19.4-145.9 -82.6 124.7 43.4 21.3 63.9 98 100 A R H > S+ 0 0 22 -80,-2.5 4,-1.6 -2,-0.5 -1,-0.1 0.867 99.0 47.2 -58.6 -42.6 44.4 24.6 62.2 99 101 A E H > S+ 0 0 76 -81,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.865 109.6 54.6 -69.2 -35.4 47.3 23.1 60.3 100 102 A Q H > S+ 0 0 93 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.922 107.3 51.0 -62.3 -41.7 45.2 20.2 59.2 101 103 A M H X S+ 0 0 12 -4,-2.2 4,-3.4 1,-0.2 5,-0.4 0.867 107.9 52.6 -62.9 -36.1 42.7 22.7 57.8 102 104 A A H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.899 111.5 45.7 -66.0 -41.6 45.6 24.4 56.0 103 105 A L H < S+ 0 0 95 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.877 119.8 41.6 -68.4 -37.4 46.6 21.1 54.4 104 106 A N H < S+ 0 0 93 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.910 134.9 14.4 -77.2 -44.1 43.0 20.2 53.6 105 107 A H H < S- 0 0 99 -4,-3.4 4,-0.4 -5,-0.2 -3,-0.2 0.459 110.0-105.2-113.7 -4.2 41.7 23.6 52.3 106 108 A G X - 0 0 29 -4,-1.9 4,-1.8 -5,-0.4 5,-0.2 0.144 29.0 -88.0 93.1 149.2 44.9 25.6 51.8 107 109 A E H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.818 121.5 57.7 -61.1 -36.0 46.6 28.5 53.7 108 110 A E H > S+ 0 0 172 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.934 109.0 44.0 -62.4 -48.7 44.6 31.2 51.9 109 111 A Q H > S+ 0 0 67 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.885 112.6 52.1 -64.3 -40.8 41.2 29.8 52.9 110 112 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.897 107.5 53.3 -64.0 -38.1 42.4 29.2 56.5 111 113 A R H X>S+ 0 0 112 -4,-2.1 4,-2.9 2,-0.2 5,-0.6 0.902 109.1 49.3 -63.1 -40.2 43.6 32.8 56.7 112 114 A L H X5S+ 0 0 60 -4,-1.8 4,-1.7 2,-0.2 7,-0.2 0.943 111.3 48.5 -64.5 -46.7 40.1 34.0 55.5 113 115 A W H <5S+ 0 0 29 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.918 120.0 38.5 -58.9 -43.4 38.3 31.8 58.1 114 116 A R H <5S+ 0 0 13 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.904 133.7 12.9 -75.4 -45.3 40.6 33.1 60.9 115 117 A R H <5S+ 0 0 16 -4,-2.9 -3,-0.2 -5,-0.2 93,-0.2 0.573 91.4 108.7-114.7 -11.5 41.2 36.7 60.2 116 118 A S << - 0 0 6 -4,-1.7 40,-0.5 -5,-0.6 87,-0.1 -0.175 59.0-139.6 -64.2 163.6 38.7 38.0 57.6 117 119 A Y S S+ 0 0 28 85,-0.3 40,-2.4 39,-0.1 41,-0.3 0.880 93.1 29.1 -91.5 -43.7 35.9 40.3 58.6 118 120 A N S S+ 0 0 86 38,-0.2 2,-0.3 37,-0.1 37,-0.1 0.618 87.2 107.0 -96.7 -14.4 32.9 38.9 56.6 119 121 A V - 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