==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-APR-12 4EMB . COMPND 2 MOLECULE: 2,3-BISPHOSPHOGLYCERATE-DEPENDENT PHOSPHOGLYCERAT . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 971 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 6.2 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 0.4 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 . 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 . 23 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 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 0 0 8 0 4 6 0 0 5 4 5 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 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 PARALLEL BRIDGES PER LADDER . 4 0 0 0 8 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 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 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 5 A F 0 0 142 0, 0.0 217,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 169.4 11.7 24.9 -6.1 2 6 A X + 0 0 106 215,-2.1 2,-0.3 1,-0.3 216,-0.2 0.771 360.0 20.6-108.4 -46.4 14.3 22.2 -6.8 3 7 A Y E -A 217 0A 40 214,-2.6 214,-3.1 2,-0.0 2,-0.4 -0.939 54.9-148.2-133.1 151.0 12.5 18.8 -6.5 4 8 A K E -A 216 0A 70 -2,-0.3 174,-0.6 212,-0.2 2,-0.4 -0.983 12.2-171.9-116.6 132.3 9.1 17.3 -6.5 5 9 A L E -Ab 215 178A 1 210,-2.4 210,-2.8 -2,-0.4 2,-0.5 -0.979 9.5-154.7-119.9 132.5 8.2 14.2 -4.5 6 10 A V E -Ab 214 179A 2 172,-2.0 174,-2.3 -2,-0.4 2,-0.4 -0.933 10.3-174.8-114.2 131.9 4.8 12.5 -5.0 7 11 A L E -Ab 213 180A 1 206,-2.8 206,-2.9 -2,-0.5 2,-0.4 -0.937 2.7-177.5-121.0 141.9 3.1 10.4 -2.3 8 12 A V E - b 0 181A 1 172,-2.4 174,-2.4 -2,-0.4 2,-0.4 -0.987 16.9-146.2-146.8 137.6 -0.0 8.4 -2.7 9 13 A R E - b 0 182A 44 199,-0.4 201,-3.1 -2,-0.4 174,-0.2 -0.825 31.9-110.9 -96.0 137.6 -2.1 6.3 -0.4 10 14 A H - 0 0 13 172,-1.7 174,-0.1 -2,-0.4 3,-0.1 -0.187 32.7-115.7 -63.8 160.0 -3.9 3.3 -1.7 11 15 A G - 0 0 1 22,-0.4 22,-0.2 1,-0.2 -1,-0.1 0.057 55.7 -33.3 -84.2-169.7 -7.6 3.1 -2.1 12 16 A E - 0 0 67 17,-0.1 18,-2.2 20,-0.1 21,-0.3 -0.122 56.1-154.6 -52.8 137.1 -10.2 1.0 -0.5 13 17 A S B > -F 29 0B 3 16,-0.3 3,-1.4 -3,-0.1 4,-0.4 -0.607 35.4 -97.1-105.6 169.1 -9.4 -2.6 0.5 14 18 A E T 3 S+ 0 0 78 14,-2.5 4,-0.3 1,-0.3 3,-0.1 0.618 123.0 52.1 -64.2 -12.6 -11.7 -5.6 0.9 15 19 A W T 3 >S+ 0 0 57 13,-0.3 5,-2.0 1,-0.1 4,-0.4 0.508 84.6 82.7-101.0 -8.3 -11.8 -5.0 4.7 16 20 A N T < 5S+ 0 0 57 -3,-1.4 -2,-0.1 3,-0.2 -1,-0.1 0.801 85.8 59.2 -66.7 -28.8 -12.8 -1.3 4.7 17 21 A K T 5S+ 0 0 70 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.974 113.4 36.1 -65.6 -52.4 -16.5 -2.1 4.3 18 22 A E T 5S- 0 0 124 -4,-0.3 -1,-0.2 80,-0.0 -2,-0.2 0.475 110.9-128.9 -75.4 -5.4 -16.7 -4.1 7.5 19 23 A N T 5 + 0 0 76 -4,-0.4 80,-0.3 1,-0.2 -3,-0.2 0.883 43.0 173.0 61.9 41.7 -14.2 -1.7 9.0 20 24 A L < - 0 0 25 -5,-2.0 2,-0.4 78,-0.1 78,-0.2 -0.554 42.2-105.9 -80.6 145.2 -11.7 -4.3 10.2 21 25 A F + 0 0 59 76,-2.4 75,-2.8 73,-0.5 76,-0.2 -0.629 45.2 177.1 -66.4 126.7 -8.4 -3.3 11.7 22 26 A T > + 0 0 16 -2,-0.4 3,-2.2 73,-0.2 -1,-0.2 0.896 16.3 147.0-102.9 -62.1 -6.0 -4.2 8.9 23 27 A G T 3 S- 0 0 1 1,-0.3 65,-0.3 67,-0.1 67,-0.2 -0.370 84.5 -8.7 61.3-127.4 -2.5 -3.3 9.7 24 28 A W T 3 S+ 0 0 14 -2,-0.1 -1,-0.3 63,-0.1 2,-0.1 0.443 98.3 124.3 -81.5 -3.8 -0.0 -5.8 8.2 25 29 A T < - 0 0 38 -3,-2.2 2,-1.9 1,-0.1 71,-0.1 -0.420 67.7-129.7 -60.3 126.9 -2.8 -8.1 7.2 26 30 A D + 0 0 46 -2,-0.1 -1,-0.1 33,-0.1 2,-0.1 -0.357 44.3 164.4 -83.6 63.7 -2.2 -8.6 3.4 27 31 A V - 0 0 5 -2,-1.9 34,-0.5 1,-0.1 2,-0.1 -0.449 34.2-114.5 -79.2 153.7 -5.7 -7.9 2.2 28 32 A K - 0 0 138 -2,-0.1 -14,-2.5 1,-0.1 -13,-0.3 -0.387 29.9 -98.4 -80.4 160.1 -6.5 -7.1 -1.5 29 33 A L B -F 13 0B 14 -16,-0.3 -16,-0.3 -15,-0.1 2,-0.1 -0.467 38.2-124.8 -63.8 145.2 -7.8 -3.9 -2.9 30 34 A S > - 0 0 20 -18,-2.2 4,-2.5 -2,-0.1 5,-0.2 -0.405 31.6 -99.4 -79.5 173.1 -11.6 -3.8 -3.5 31 35 A D H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.868 130.4 53.6 -64.1 -35.1 -12.9 -3.0 -7.0 32 36 A K H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 108.2 51.3 -61.8 -43.2 -13.5 0.6 -5.7 33 37 A G H > S+ 0 0 0 -21,-0.3 4,-1.8 2,-0.2 -22,-0.4 0.906 108.0 50.7 -57.8 -43.9 -9.8 0.5 -4.6 34 38 A I H X S+ 0 0 64 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.923 111.3 49.1 -59.3 -43.9 -8.7 -0.6 -8.1 35 39 A D H X S+ 0 0 72 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.847 106.1 55.4 -67.2 -38.1 -10.7 2.3 -9.6 36 40 A E H X S+ 0 0 53 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.904 108.6 49.1 -61.9 -39.8 -9.2 4.8 -7.2 37 41 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.917 109.0 52.5 -63.6 -43.9 -5.8 3.8 -8.4 38 42 A V H X S+ 0 0 29 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.938 112.6 45.2 -57.2 -47.5 -6.9 4.1 -12.1 39 43 A E H X S+ 0 0 121 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.876 109.5 54.2 -67.1 -38.3 -8.1 7.7 -11.4 40 44 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.929 112.0 45.9 -62.5 -38.9 -4.9 8.6 -9.4 41 45 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.908 112.2 49.1 -67.3 -43.2 -2.9 7.5 -12.5 42 46 A L H X S+ 0 0 72 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.900 110.4 53.2 -63.8 -37.7 -5.1 9.3 -14.9 43 47 A L H X S+ 0 0 28 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.938 109.5 47.2 -63.2 -43.6 -4.8 12.4 -12.7 44 48 A L H <>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 4,-0.2 0.886 112.8 49.0 -66.7 -38.7 -1.0 12.2 -12.8 45 49 A K H ><5S+ 0 0 130 -4,-2.3 3,-2.2 3,-0.2 -2,-0.2 0.967 108.8 52.8 -62.5 -52.0 -0.9 11.8 -16.5 46 50 A Q H 3<5S+ 0 0 145 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.880 111.3 48.1 -49.8 -39.2 -3.3 14.7 -17.1 47 51 A E T 3<5S- 0 0 103 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.374 117.8-110.8 -90.0 4.1 -1.0 16.9 -14.9 48 52 A G T < 5 + 0 0 63 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.668 60.8 155.8 79.9 19.3 2.2 15.8 -16.7 49 53 A Y < + 0 0 28 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.570 10.5 167.5 -79.0 137.2 3.8 13.8 -13.9 50 54 A S - 0 0 51 -2,-0.3 2,-0.3 128,-0.0 20,-0.0 -0.960 17.0-144.3-139.9 166.3 6.3 11.1 -14.8 51 55 A F - 0 0 4 -2,-0.3 127,-0.2 1,-0.1 3,-0.1 -0.932 23.2-166.3-137.1 153.2 8.7 9.1 -12.7 52 56 A D S S+ 0 0 55 125,-2.5 27,-0.8 1,-0.3 2,-0.3 0.573 85.1 15.9-103.4 -26.4 12.2 7.5 -12.6 53 57 A I E -cd 79 178A 5 124,-1.6 126,-1.6 25,-0.1 2,-0.4 -0.982 63.5-158.1-153.1 145.8 11.9 5.4 -9.5 54 58 A A E -cd 80 179A 0 25,-2.0 27,-2.6 -2,-0.3 2,-0.4 -0.971 3.7-160.8-128.1 143.8 9.0 4.1 -7.4 55 59 A F E +cd 81 180A 0 124,-2.5 126,-2.8 -2,-0.4 2,-0.3 -0.945 17.6 158.6-123.8 142.9 8.8 2.9 -3.8 56 60 A S E -cd 82 181A 0 25,-2.1 27,-1.9 -2,-0.4 30,-0.3 -0.894 35.1 -96.5-146.5-176.9 6.2 0.9 -2.0 57 61 A S - 0 0 0 124,-0.6 27,-0.2 -2,-0.3 -1,-0.1 -0.130 39.1-103.1 -86.9-172.2 5.6 -1.4 1.0 58 62 A L S S+ 0 0 15 25,-0.4 2,-0.4 24,-0.1 507,-0.2 0.160 90.9 103.1 -96.6 16.3 5.7 -5.2 1.2 59 63 A L S >> S- 0 0 0 1,-0.1 4,-1.7 505,-0.1 3,-0.7 -0.812 73.0-133.9-106.1 136.3 1.9 -5.3 1.2 60 64 A S H 3> S+ 0 0 10 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 0.836 99.6 59.9 -54.1 -40.9 -0.1 -6.2 -2.0 61 65 A R H 3> S+ 0 0 4 -34,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.834 108.0 44.3 -65.9 -31.9 -2.6 -3.4 -1.8 62 66 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.876 115.2 48.1 -74.4 -43.7 0.0 -0.7 -2.1 63 67 A N H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.909 110.5 50.7 -66.4 -41.5 1.9 -2.5 -4.8 64 68 A D H X S+ 0 0 24 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.921 110.5 51.0 -62.3 -39.7 -1.2 -3.1 -6.8 65 69 A T H X S+ 0 0 3 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.931 112.3 46.6 -61.7 -46.9 -2.1 0.6 -6.5 66 70 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.922 111.1 50.4 -62.1 -45.9 1.4 1.5 -7.7 67 71 A N H X S+ 0 0 24 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.926 111.2 49.6 -62.0 -40.8 1.3 -0.9 -10.6 68 72 A I H X S+ 0 0 18 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.944 111.7 49.1 -61.9 -45.0 -2.0 0.5 -11.8 69 73 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.937 112.3 46.8 -60.4 -48.2 -0.7 4.0 -11.6 70 74 A L H <>S+ 0 0 2 -4,-2.7 5,-3.2 2,-0.2 4,-0.4 0.881 109.8 54.1 -64.8 -38.8 2.4 3.3 -13.5 71 75 A R H ><5S+ 0 0 105 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.941 107.2 51.3 -59.3 -46.5 0.4 1.4 -16.2 72 76 A E H 3<5S+ 0 0 48 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.817 111.8 48.1 -60.4 -31.7 -1.9 4.4 -16.6 73 77 A L T 3<5S- 0 0 25 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.481 112.1-119.9 -82.6 -5.4 1.3 6.5 -17.1 74 78 A G T < 5S+ 0 0 38 -3,-1.7 -3,-0.2 -4,-0.4 3,-0.2 0.811 85.2 112.8 66.8 29.7 2.8 4.1 -19.6 75 79 A Q > < + 0 0 20 -5,-3.2 3,-1.7 -6,-0.2 -4,-0.2 -0.076 18.1 129.0-127.1 36.1 5.7 3.7 -17.1 76 80 A S T 3 + 0 0 3 -6,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.601 69.3 66.6 -68.7 -5.5 5.4 0.0 -16.0 77 81 A Y T 3 S+ 0 0 28 469,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.489 76.3 110.5 -92.3 -9.4 9.1 -0.4 -16.9 78 82 A I S < S- 0 0 10 -3,-1.7 -25,-0.1 1,-0.1 2,-0.1 -0.244 81.0 -84.2 -73.2 162.3 10.6 1.9 -14.2 79 83 A S E -c 53 0A 56 -27,-0.8 -25,-2.0 490,-0.0 2,-0.4 -0.394 46.2-168.5 -64.5 130.4 12.6 0.8 -11.2 80 84 A V E -c 54 0A 12 488,-0.4 488,-0.4 -27,-0.2 2,-0.4 -0.998 4.6-170.6-124.3 132.4 10.5 -0.3 -8.2 81 85 A K E -c 55 0A 79 -27,-2.6 -25,-2.1 -2,-0.4 2,-0.4 -0.983 4.3-162.1-124.6 136.2 11.7 -0.9 -4.7 82 86 A K E +c 56 0A 40 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.902 10.5 174.0-121.9 146.3 9.8 -2.4 -1.9 83 87 A T > - 0 0 15 -27,-1.9 3,-1.4 -2,-0.4 -25,-0.4 -0.999 40.2-132.0-150.0 143.8 10.4 -2.3 1.8 84 88 A W G > S+ 0 0 23 -2,-0.3 3,-2.5 1,-0.2 -26,-0.1 0.804 102.1 76.6 -60.2 -26.0 8.7 -3.4 5.0 85 89 A R G 3 S+ 0 0 73 1,-0.3 -1,-0.2 -28,-0.1 -28,-0.1 0.714 92.7 51.1 -64.6 -18.2 9.5 0.1 6.3 86 90 A L G < S+ 0 0 0 -3,-1.4 97,-0.5 -30,-0.3 -1,-0.3 0.406 85.6 124.4 -96.6 4.0 6.7 1.5 4.3 87 91 A N S < S- 0 0 0 -3,-2.5 3,-0.1 -4,-0.2 -63,-0.1 -0.214 72.2 -94.3 -57.6 149.2 4.2 -1.0 5.6 88 92 A E - 0 0 17 -65,-0.3 -1,-0.1 1,-0.2 -64,-0.0 -0.139 59.9 -75.7 -47.2 155.0 1.0 0.2 7.3 89 93 A R - 0 0 18 -66,-0.1 2,-0.4 1,-0.1 -1,-0.2 -0.347 50.0-115.2 -55.8 138.0 1.1 0.5 11.0 90 94 A H - 0 0 0 -67,-0.2 61,-1.1 62,-0.2 -67,-0.1 -0.682 23.7-164.1 -76.9 131.1 0.9 -2.8 12.8 91 95 A Y > - 0 0 42 -2,-0.4 3,-2.0 1,-0.3 4,-0.2 0.160 22.1-151.2-104.7 17.3 -2.3 -3.0 14.8 92 96 A G G > - 0 0 0 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 -0.129 69.1 -5.4 55.1-138.4 -1.2 -6.0 17.0 93 97 A A G 3 S+ 0 0 5 30,-3.1 -1,-0.3 1,-0.3 31,-0.1 0.548 123.5 75.2 -68.8 -7.8 -4.0 -8.2 18.2 94 98 A L G X + 0 0 8 -3,-2.0 3,-2.4 29,-0.4 -73,-0.5 0.699 67.4 116.7 -72.4 -18.3 -6.6 -5.9 16.8 95 99 A Q T < S+ 0 0 4 -3,-1.9 -73,-0.2 1,-0.3 3,-0.1 -0.308 82.1 14.5 -60.2 121.7 -5.8 -7.1 13.3 96 100 A G T 3 S+ 0 0 27 -75,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.251 106.2 105.9 97.8 -8.7 -8.9 -8.9 11.8 97 101 A L < - 0 0 38 -3,-2.4 -76,-2.4 -76,-0.2 -1,-0.3 -0.706 62.8-130.7-100.9 153.6 -11.4 -7.5 14.4 98 102 A N > - 0 0 45 -2,-0.3 4,-1.6 -78,-0.2 -78,-0.1 -0.398 36.7 -96.7 -89.9 173.7 -14.0 -4.7 14.2 99 103 A K H > S+ 0 0 67 -80,-0.3 4,-2.4 1,-0.2 5,-0.1 0.854 122.2 48.3 -63.2 -37.3 -14.4 -1.9 16.6 100 104 A S H > S+ 0 0 85 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 110.5 50.3 -76.2 -39.9 -17.1 -3.5 18.7 101 105 A E H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.829 112.0 51.0 -60.2 -33.8 -15.3 -6.9 19.0 102 106 A T H X S+ 0 0 2 -4,-1.6 4,-2.9 2,-0.2 5,-0.5 0.930 110.0 47.1 -71.5 -48.8 -12.2 -4.8 20.1 103 107 A A H X S+ 0 0 29 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.949 114.4 48.0 -52.5 -51.8 -14.2 -2.9 22.8 104 108 A A H < S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.870 118.2 40.2 -62.8 -36.5 -15.7 -6.2 24.1 105 109 A K H < S+ 0 0 142 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.909 133.0 19.5 -81.1 -43.8 -12.4 -8.0 24.2 106 110 A Y H < S- 0 0 48 -4,-2.9 4,-0.4 -5,-0.2 -3,-0.2 0.536 109.2-116.8-108.2 -10.2 -10.1 -5.2 25.5 107 111 A G X - 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