==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-JUL-00 1E59 . COMPND 2 MOLECULE: PHOSPHOGLYCERATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.S.BOND,W.N.HUNTER . 239 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 7.1 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 . 1 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 . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.3 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 1 0 2 0 2 1 0 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 V 0 0 96 0, 0.0 2,-0.4 0, 0.0 216,-0.2 0.000 360.0 360.0 360.0 122.2 56.0 6.1 38.9 2 3 A T E -A 216 0A 36 214,-1.9 214,-2.6 215,-0.2 2,-0.3 -0.830 360.0-146.7 -98.7 136.9 52.3 5.8 38.1 3 4 A K E -A 215 0A 80 -2,-0.4 174,-0.6 212,-0.2 2,-0.4 -0.834 11.0-169.7-107.6 142.7 50.8 6.7 34.7 4 5 A L E -Ab 214 177A 0 210,-2.0 210,-2.9 -2,-0.3 2,-0.5 -0.978 10.6-152.7-121.1 137.7 47.5 8.3 33.8 5 6 A V E -Ab 213 178A 0 172,-1.8 174,-2.5 -2,-0.4 2,-0.4 -0.965 8.5-169.5-118.1 130.2 46.2 8.6 30.2 6 7 A L E -Ab 212 179A 3 206,-2.8 206,-2.7 -2,-0.5 2,-0.4 -0.901 3.0-175.3-108.7 141.9 43.8 11.3 29.1 7 8 A V E - b 0 180A 2 172,-2.2 174,-2.4 -2,-0.4 2,-0.4 -0.983 13.7-151.2-140.4 127.3 42.0 11.3 25.7 8 9 A R E - b 0 181A 50 199,-0.4 201,-2.7 -2,-0.4 174,-0.2 -0.791 32.0-112.4 -86.2 136.6 39.8 14.0 24.3 9 10 A H - 0 0 14 172,-2.1 3,-0.1 -2,-0.4 52,-0.1 -0.215 32.5-123.8 -64.2 162.4 37.1 12.7 21.8 10 11 A G - 0 0 3 22,-0.4 22,-0.2 50,-0.2 -1,-0.1 0.025 54.6 -22.8 -91.8-160.7 37.2 13.6 18.2 11 12 A E - 0 0 25 17,-0.1 18,-2.3 20,-0.1 21,-0.4 -0.179 56.3-164.1 -55.9 131.5 34.9 15.3 15.7 12 13 A S B > -F 28 0B 5 16,-0.3 4,-1.7 -3,-0.1 16,-0.3 -0.619 36.8-105.6-100.9 167.7 31.2 15.2 16.5 13 14 A Q H > S+ 0 0 71 14,-2.6 4,-1.4 1,-0.2 5,-0.1 0.858 122.9 53.3 -64.6 -29.2 28.4 16.0 14.0 14 15 A W H 4>S+ 0 0 24 13,-0.3 5,-2.4 2,-0.2 4,-0.5 0.807 101.0 58.9 -78.2 -25.7 27.9 19.4 15.7 15 16 A N H >45S+ 0 0 100 3,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.939 106.5 49.5 -60.3 -40.2 31.6 20.2 15.3 16 17 A K H 3<5S+ 0 0 130 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.841 112.4 46.8 -67.7 -31.8 31.1 19.8 11.5 17 18 A E T 3<5S- 0 0 75 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.493 111.9-124.9 -86.1 0.1 28.1 22.0 11.8 18 19 A N T < 5 + 0 0 70 -3,-1.0 80,-3.1 -4,-0.5 81,-0.4 0.918 57.4 152.1 58.6 47.2 30.1 24.6 13.9 19 20 A R B < -G 97 0C 81 -5,-2.4 2,-0.3 78,-0.3 78,-0.2 -0.835 55.1-109.4-111.3 142.2 27.5 24.5 16.7 20 21 A F + 0 0 0 76,-2.4 75,-3.1 73,-0.4 76,-0.1 -0.599 42.3 178.3 -65.1 130.0 28.0 25.2 20.5 21 22 A T > + 0 0 18 -2,-0.3 3,-2.0 73,-0.2 69,-0.2 0.865 16.1 149.6-107.6 -58.2 27.5 21.7 21.9 22 23 A G T 3 S- 0 0 2 1,-0.3 65,-0.3 67,-0.1 67,-0.2 -0.383 84.8 -10.0 61.4-130.7 27.9 21.6 25.7 23 24 A W T 3 S+ 0 0 13 -2,-0.1 -1,-0.3 63,-0.1 2,-0.1 0.507 98.8 123.1 -83.6 -3.2 25.7 18.9 27.3 24 25 A Y < - 0 0 113 -3,-2.0 2,-1.8 1,-0.1 71,-0.1 -0.414 67.7-129.9 -56.4 130.1 23.8 18.3 24.0 25 26 A D + 0 0 33 -2,-0.1 -1,-0.1 34,-0.1 2,-0.1 -0.355 43.6 162.5 -93.1 65.5 24.3 14.5 23.4 26 27 A V - 0 0 10 -2,-1.8 34,-0.4 1,-0.1 2,-0.1 -0.425 33.2-118.5 -78.9 149.2 25.5 14.5 19.8 27 28 A D - 0 0 64 -2,-0.1 -14,-2.6 1,-0.1 -13,-0.3 -0.437 28.0 -95.0 -88.3 164.6 27.3 11.6 18.2 28 29 A L B -F 12 0B 14 -16,-0.3 -16,-0.3 31,-0.1 2,-0.1 -0.445 37.6-123.6 -59.1 145.4 30.8 11.3 16.8 29 30 A S > - 0 0 9 -18,-2.3 4,-2.5 -2,-0.1 5,-0.2 -0.379 35.4 -96.9 -75.0 168.8 31.2 11.7 13.0 30 31 A E H > S+ 0 0 165 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.909 130.0 54.5 -53.4 -38.0 32.8 8.9 11.0 31 32 A K H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.939 106.4 49.2 -64.0 -41.4 36.0 10.9 11.3 32 33 A G H > S+ 0 0 0 -21,-0.4 4,-1.9 2,-0.2 -22,-0.4 0.885 109.4 53.0 -69.8 -32.7 35.7 11.1 15.1 33 34 A V H X S+ 0 0 41 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.945 109.2 49.6 -61.8 -45.7 35.2 7.3 15.2 34 35 A S H X S+ 0 0 70 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.897 108.0 53.5 -61.0 -40.0 38.4 6.9 13.2 35 36 A E H X S+ 0 0 33 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.901 108.8 49.8 -61.2 -41.3 40.3 9.2 15.6 36 37 A A H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.936 111.9 47.1 -62.6 -45.6 39.2 7.0 18.6 37 38 A K H X S+ 0 0 96 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.925 111.3 51.3 -63.8 -40.8 40.3 3.8 16.8 38 39 A A H X S+ 0 0 59 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.903 108.9 51.4 -62.9 -40.1 43.7 5.4 15.9 39 40 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.924 110.9 47.9 -63.1 -40.9 44.3 6.5 19.5 40 41 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.915 111.4 49.4 -67.5 -41.7 43.6 3.0 20.8 41 42 A K H X S+ 0 0 116 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.921 111.3 50.3 -62.9 -38.6 45.8 1.3 18.2 42 43 A L H X S+ 0 0 34 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.920 108.5 51.8 -66.7 -41.2 48.6 3.7 19.1 43 44 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-0.2 0.941 111.0 48.6 -59.0 -43.5 48.2 3.0 22.8 44 45 A K H ><5S+ 0 0 119 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.964 111.6 48.7 -59.2 -51.3 48.5 -0.8 22.1 45 46 A E H 3<5S+ 0 0 118 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.831 108.7 53.0 -62.2 -30.4 51.6 -0.3 20.0 46 47 A E T 3<5S- 0 0 108 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.360 121.4-108.5 -86.1 6.4 53.2 1.9 22.6 47 48 A G T < 5 + 0 0 64 -3,-1.9 2,-0.3 -4,-0.2 -3,-0.2 0.653 65.7 148.5 85.3 19.2 52.6 -0.9 25.2 48 49 A Y < + 0 0 27 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.708 12.6 162.8 -88.5 138.0 49.8 0.7 27.3 49 50 A S - 0 0 49 -2,-0.3 2,-0.2 128,-0.0 25,-0.0 -0.916 19.4-143.7-144.1 168.9 47.0 -1.3 29.1 50 51 A F - 0 0 4 -2,-0.3 127,-0.2 1,-0.1 3,-0.1 -0.779 22.5-156.0-132.4 167.4 44.6 -0.3 31.9 51 52 A D S S+ 0 0 54 125,-3.1 2,-0.3 1,-0.4 126,-0.2 0.557 84.5 11.7-114.4 -21.5 42.8 -1.6 35.0 52 53 A F E -c 177 0A 17 124,-1.8 126,-1.6 25,-0.1 -1,-0.4 -0.984 61.5-151.3-157.8 147.2 39.9 0.9 35.1 53 54 A A E -cd 178 79A 0 25,-2.2 27,-2.5 -2,-0.3 2,-0.4 -0.972 3.4-164.5-129.0 140.1 38.3 3.6 32.8 54 55 A Y E +cd 179 80A 0 124,-2.4 126,-2.3 -2,-0.4 2,-0.3 -0.942 19.9 154.1-112.2 144.7 36.3 6.8 33.6 55 56 A T E -cd 180 81A 0 25,-2.3 27,-2.9 -2,-0.4 30,-0.2 -0.881 38.3 -97.9-150.9-177.6 34.2 8.7 31.1 56 57 A S - 0 0 0 124,-0.6 27,-0.2 -2,-0.3 -1,-0.1 -0.110 36.1-105.8 -87.7-166.3 31.2 11.1 31.0 57 58 A V S S+ 0 0 27 25,-0.3 2,-0.4 24,-0.1 26,-0.1 0.223 89.5 103.3-104.6 13.1 27.5 10.3 30.3 58 59 A L S >> S- 0 0 0 1,-0.1 4,-2.3 -34,-0.0 3,-1.3 -0.833 72.0-137.2-100.4 130.2 27.8 11.9 26.8 59 60 A K H 3> S+ 0 0 78 -2,-0.4 4,-3.0 1,-0.3 5,-0.3 0.749 98.4 65.7 -64.2 -26.3 28.0 9.3 23.9 60 61 A R H 3> S+ 0 0 4 -34,-0.4 4,-0.8 1,-0.2 -1,-0.3 0.884 112.8 36.2 -64.7 -31.1 30.7 11.1 21.9 61 62 A A H <> S+ 0 0 0 -3,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.895 117.2 51.6 -80.3 -44.2 33.1 10.4 24.9 62 63 A I H X S+ 0 0 21 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.928 111.0 47.7 -57.8 -47.2 31.6 7.0 25.7 63 64 A H H X S+ 0 0 54 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.836 108.2 55.9 -64.5 -31.7 32.0 5.8 22.1 64 65 A T H X S+ 0 0 1 -4,-0.8 4,-2.3 -5,-0.3 -1,-0.2 0.957 110.3 45.5 -60.1 -49.0 35.5 7.1 22.1 65 66 A L H X S+ 0 0 1 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.931 110.6 52.7 -60.3 -46.5 36.3 5.0 25.1 66 67 A W H X S+ 0 0 123 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.927 111.4 46.8 -57.7 -44.1 34.5 1.9 23.6 67 68 A N H X S+ 0 0 26 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.908 112.7 49.3 -65.7 -39.6 36.6 2.1 20.4 68 69 A V H X S+ 0 0 1 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.950 110.9 50.0 -63.7 -44.8 39.8 2.6 22.4 69 70 A L H X>S+ 0 0 4 -4,-3.1 5,-2.8 1,-0.2 4,-0.5 0.909 107.7 53.9 -63.3 -37.9 39.1 -0.4 24.6 70 71 A D H ><5S+ 0 0 99 -4,-2.3 3,-1.5 -5,-0.3 -1,-0.2 0.950 107.3 50.3 -60.8 -44.3 38.3 -2.6 21.5 71 72 A E H 3<5S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 113.6 47.0 -65.5 -29.2 41.8 -1.7 20.0 72 73 A L H 3<5S- 0 0 11 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.475 111.0-122.3 -83.4 -2.9 43.4 -2.6 23.3 73 74 A D T <<5S+ 0 0 129 -3,-1.5 -3,-0.2 -4,-0.5 3,-0.1 0.894 81.5 117.5 54.2 43.3 41.4 -5.9 23.6 74 75 A Q > < + 0 0 13 -5,-2.8 3,-2.1 -6,-0.2 -4,-0.2 -0.182 14.1 130.4-129.5 40.6 40.1 -4.6 26.9 75 76 A A T 3 S+ 0 0 63 -6,-0.3 -5,-0.1 1,-0.3 -1,-0.1 0.734 72.2 64.9 -63.2 -21.1 36.3 -4.3 26.2 76 77 A W T 3 S+ 0 0 182 -7,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.472 76.7 123.6 -76.4 -6.5 35.9 -6.2 29.5 77 78 A L S < S- 0 0 7 -3,-2.1 -25,-0.1 1,-0.1 2,-0.1 -0.284 73.2-103.6 -61.3 143.0 37.5 -3.3 31.6 78 79 A P - 0 0 64 0, 0.0 -25,-2.2 0, 0.0 2,-0.4 -0.416 43.1-164.1 -61.8 135.1 35.4 -1.9 34.4 79 80 A V E -d 53 0A 45 -27,-0.2 2,-0.4 -2,-0.1 -25,-0.2 -0.984 14.9-164.3-125.1 134.3 33.9 1.5 33.3 80 81 A E E -d 54 0A 68 -27,-2.5 -25,-2.3 -2,-0.4 2,-0.6 -0.990 8.1-160.9-115.6 128.8 32.5 4.3 35.4 81 82 A K E +d 55 0A 100 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.3 -0.923 16.3 179.6-110.3 115.8 30.4 7.0 33.5 82 83 A S > - 0 0 12 -27,-2.9 3,-2.0 -2,-0.6 -25,-0.3 -0.972 36.6-146.4-126.4 132.3 29.9 10.2 35.4 83 84 A W G > S+ 0 0 41 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.736 98.0 75.9 -56.2 -25.5 28.1 13.5 34.6 84 85 A K G 3 S+ 0 0 54 1,-0.3 -1,-0.3 -28,-0.1 78,-0.1 0.690 93.6 50.9 -66.2 -15.4 30.9 15.2 36.6 85 86 A L G < S+ 0 0 6 -3,-2.0 97,-0.5 -30,-0.2 -1,-0.3 0.351 86.3 126.7 -97.5 4.8 33.2 14.6 33.5 86 87 A N S < S- 0 0 0 -3,-1.9 3,-0.1 -4,-0.2 -63,-0.1 -0.139 70.3 -94.0 -57.1 152.2 30.7 16.2 31.1 87 88 A E - 0 0 17 -65,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.156 59.8 -75.4 -48.8 155.7 31.7 19.0 28.7 88 89 A R - 0 0 5 1,-0.1 2,-0.3 -66,-0.1 -1,-0.1 -0.449 52.7-114.1 -52.3 135.6 31.0 22.5 30.0 89 90 A H - 0 0 0 -67,-0.2 61,-1.7 62,-0.2 -67,-0.1 -0.566 21.9-155.8 -76.4 129.1 27.3 23.4 29.8 90 91 A Y > - 0 0 10 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 0.286 19.6-151.7 -97.1 14.2 26.8 26.1 27.2 91 92 A G G > S- 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 -0.228 70.2 -9.8 58.3-145.0 23.5 27.5 28.5 92 93 A A G 3 S+ 0 0 27 30,-2.6 -1,-0.3 1,-0.3 31,-0.1 0.519 127.2 72.8 -66.1 -6.6 21.2 29.1 25.9 93 94 A L G X + 0 0 5 -3,-2.0 3,-2.6 29,-0.5 -73,-0.4 0.680 66.9 120.3 -79.6 -14.2 24.0 29.0 23.3 94 95 A Q T < S+ 0 0 12 -3,-1.7 -73,-0.2 1,-0.3 3,-0.1 -0.327 82.1 12.1 -57.0 122.3 23.6 25.2 23.0 95 96 A G T 3 S+ 0 0 12 -75,-3.1 -1,-0.3 1,-0.3 -74,-0.1 0.064 97.6 124.2 97.4 -18.3 22.7 24.3 19.4 96 97 A L < - 0 0 71 -3,-2.6 -76,-2.4 -76,-0.1 2,-0.4 -0.411 69.1-107.6 -76.3 154.1 23.4 27.8 17.9 97 98 A N B > -G 19 0C 35 -78,-0.2 4,-2.2 1,-0.1 -78,-0.3 -0.641 21.7-144.1 -76.7 132.0 25.9 28.3 15.1 98 99 A K H > S+ 0 0 52 -80,-3.1 4,-2.1 -2,-0.4 5,-0.1 0.870 98.4 46.3 -68.6 -38.2 29.1 29.9 16.3 99 100 A A H > S+ 0 0 57 -81,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.918 113.9 48.2 -72.9 -38.2 29.7 32.0 13.2 100 101 A E H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.870 111.9 51.1 -65.2 -36.8 26.1 33.2 13.1 101 102 A T H X>S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 5,-0.5 0.923 108.3 50.6 -66.3 -44.4 26.3 34.0 16.8 102 103 A A H X5S+ 0 0 13 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.889 111.5 50.1 -62.4 -37.1 29.5 36.0 16.3 103 104 A E H <5S+ 0 0 167 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.940 115.7 40.8 -65.1 -45.2 27.8 38.0 13.5 104 105 A K H <5S+ 0 0 152 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.828 131.5 21.9 -77.3 -30.9 24.7 38.8 15.5 105 106 A Y H <5S- 0 0 141 -4,-2.6 4,-0.3 -5,-0.1 -3,-0.2 0.465 116.2 -95.3-115.1 -9.6 26.3 39.6 18.8 106 107 A G X< - 0 0 29 -4,-1.5 4,-1.8 -5,-0.5 5,-0.2 0.036 24.2 -99.2 107.2 145.8 29.9 40.5 17.9 107 108 A D H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.915 120.1 50.6 -65.1 -44.5 33.2 38.7 17.7 108 109 A E H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 107.9 53.5 -62.5 -42.3 34.5 40.0 21.1 109 110 A Q H > S+ 0 0 77 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.916 110.2 47.4 -61.5 -40.6 31.2 39.0 22.9 110 111 A V H X S+ 0 0 11 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.913 108.1 55.7 -68.2 -37.2 31.6 35.4 21.6 111 112 A K H X S+ 0 0 121 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.897 110.7 45.5 -59.5 -40.0 35.2 35.3 22.6 112 113 A Q H X S+ 0 0 78 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.919 112.4 49.9 -67.8 -45.2 34.1 36.2 26.2 113 114 A W H < S+ 0 0 28 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.851 118.9 39.9 -58.9 -37.4 31.2 33.7 26.2 114 115 A R H < S+ 0 0 75 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.884 135.2 8.4 -78.7 -39.9 33.7 30.9 24.9 115 116 A R H < S+ 0 0 34 -4,-2.4 2,-0.4 -5,-0.2 -3,-0.2 0.420 78.0 122.3-134.1 -1.2 36.8 31.7 26.9 116 117 A G >< - 0 0 15 -4,-2.3 3,-1.2 -5,-0.3 36,-0.4 -0.604 66.7-128.2 -65.5 126.4 36.4 34.3 29.7 117 118 A F T 3 S+ 0 0 44 -2,-0.4 36,-2.2 1,-0.3 35,-0.5 0.825 98.9 14.4 -47.2 -49.0 37.5 32.2 32.7 118 119 A A T 3 S+ 0 0 67 34,-0.2 2,-0.3 33,-0.1 -1,-0.3 0.245 97.0 122.2-111.0 12.4 34.5 32.9 34.9 119 120 A V < - 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