==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAY-99 1QHF . COMPND 2 MOLECULE: PROTEIN (PHOSPHOGLYCERATE MUTASE); . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR G.CROWHURST,J.LITTLECHILD,H.C.WATSON . 480 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.8 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 . 1 0.2 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 . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.9 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 0 2 0 0 0 0 0 2 2 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 6 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A P 0 0 57 0, 0.0 214,-3.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.4 -19.5 -9.2 -5.1 2 2 A K E -A 214 0A 62 172,-0.3 174,-1.8 212,-0.2 2,-0.4 -0.970 360.0-169.7-124.5 129.8 -18.8 -9.4 -8.9 3 3 A L E -Ab 213 176A 0 210,-2.6 210,-3.1 -2,-0.4 2,-0.5 -0.973 3.4-163.2-118.9 129.6 -15.7 -10.9 -10.4 4 4 A V E -Ab 212 177A 0 172,-3.5 174,-2.7 -2,-0.4 2,-0.4 -0.969 4.8-165.9-120.4 127.8 -14.7 -10.6 -14.1 5 5 A L E -Ab 211 178A 4 206,-3.0 206,-2.8 -2,-0.5 2,-0.4 -0.904 4.2-173.9-113.2 133.3 -12.1 -12.9 -15.6 6 6 A V E - b 0 179A 0 172,-2.4 174,-2.0 -2,-0.4 2,-0.4 -0.985 11.6-153.6-128.8 123.2 -10.5 -12.3 -19.0 7 7 A R E - b 0 180A 46 -2,-0.4 201,-2.5 199,-0.4 174,-0.2 -0.767 29.6-115.6 -88.5 132.7 -8.1 -14.8 -20.7 8 8 A H - 0 0 16 172,-1.5 3,-0.1 -2,-0.4 52,-0.1 -0.331 29.6-120.7 -67.8 156.5 -5.7 -13.1 -23.1 9 9 A G - 0 0 2 22,-0.4 22,-0.2 1,-0.2 -1,-0.1 -0.088 57.3 -31.6 -86.1-166.2 -5.9 -13.9 -26.8 10 10 A Q - 0 0 40 17,-0.1 18,-2.7 20,-0.1 21,-0.3 -0.081 57.7-150.5 -53.3 133.8 -3.3 -15.4 -29.1 11 11 A S B > -F 27 0B 5 16,-0.3 4,-1.7 -3,-0.1 16,-0.3 -0.563 31.7-103.4 -93.6 171.3 0.4 -14.6 -28.3 12 12 A E H > S+ 0 0 82 14,-2.9 4,-0.7 1,-0.2 15,-0.1 0.801 123.7 49.1 -66.2 -25.2 3.1 -14.4 -31.0 13 13 A W H 4>S+ 0 0 32 13,-0.4 5,-2.5 2,-0.2 4,-0.3 0.821 103.2 59.0 -85.0 -27.6 4.4 -17.8 -29.9 14 14 A N H >45S+ 0 0 65 -3,-0.3 3,-1.1 1,-0.2 -2,-0.2 0.884 105.9 50.5 -65.6 -37.5 1.0 -19.4 -30.0 15 15 A E H 3<5S+ 0 0 115 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 112.1 46.4 -68.8 -24.3 0.8 -18.5 -33.6 16 16 A K T 3<5S- 0 0 128 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.347 116.5-114.2 -95.9 0.7 4.2 -20.1 -34.2 17 17 A N T < 5 + 0 0 62 -3,-1.1 80,-2.8 -4,-0.3 2,-0.4 0.759 66.6 139.6 70.8 39.4 3.3 -23.2 -32.3 18 18 A L B < -G 96 0C 31 -5,-2.5 2,-0.3 78,-0.2 -1,-0.2 -0.891 57.5-115.5-114.8 140.9 5.8 -22.9 -29.4 19 19 A F - 0 0 2 76,-2.2 75,-2.7 73,-0.5 76,-0.2 -0.604 34.6-177.1 -68.4 137.5 5.0 -23.6 -25.7 20 20 A T > + 0 0 16 -2,-0.3 3,-2.0 73,-0.2 69,-0.1 0.908 16.6 154.5-106.4 -59.7 5.3 -20.3 -23.8 21 21 A G T 3 S- 0 0 3 1,-0.3 65,-0.2 67,-0.1 67,-0.2 -0.387 84.4 -11.7 68.1-129.2 4.7 -20.7 -20.1 22 22 A W T 3 S+ 0 0 5 107,-0.1 -1,-0.3 -2,-0.1 2,-0.1 0.420 100.1 120.9 -88.9 6.0 6.5 -17.8 -18.3 23 23 A V S < S- 0 0 19 -3,-2.0 2,-1.6 1,-0.1 106,-0.1 -0.497 70.0-125.0 -67.7 134.1 8.5 -16.6 -21.4 24 24 A D + 0 0 33 -2,-0.1 2,-0.1 34,-0.1 -1,-0.1 -0.412 47.4 157.6 -90.1 77.8 7.4 -13.0 -21.8 25 25 A V - 0 0 13 -2,-1.6 34,-0.6 1,-0.1 2,-0.1 -0.464 34.9-119.1 -98.4 158.3 6.1 -12.9 -25.4 26 26 A K - 0 0 44 -2,-0.1 -14,-2.9 1,-0.1 -13,-0.4 -0.336 32.6 -85.4 -92.7 172.9 3.6 -10.3 -26.7 27 27 A L B -F 11 0B 3 -16,-0.3 -16,-0.3 31,-0.1 -1,-0.1 -0.461 40.6-127.0 -72.0 150.6 0.2 -10.6 -28.2 28 28 A S > - 0 0 5 -18,-2.7 4,-2.1 -2,-0.1 5,-0.2 -0.306 36.2 -92.8 -81.1-176.8 -0.1 -11.3 -31.9 29 29 A A H > S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.916 130.8 48.8 -63.8 -37.4 -2.3 -9.0 -34.2 30 30 A K H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 108.3 55.6 -67.0 -39.6 -5.2 -11.3 -33.7 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-2.1 2,-0.2 -22,-0.4 0.890 105.1 51.8 -59.3 -37.7 -4.6 -11.3 -29.9 32 32 A Q H X S+ 0 0 76 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.918 109.4 49.8 -66.9 -36.7 -4.8 -7.5 -29.9 33 33 A Q H X S+ 0 0 138 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.888 108.1 53.3 -68.8 -37.6 -8.1 -7.6 -31.7 34 34 A E H X S+ 0 0 30 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.895 107.2 52.2 -65.8 -34.8 -9.5 -10.2 -29.2 35 35 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.890 107.6 51.4 -66.7 -37.7 -8.5 -7.8 -26.4 36 36 A A H X S+ 0 0 20 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.954 108.9 51.7 -65.2 -40.5 -10.4 -5.0 -28.0 37 37 A R H X S+ 0 0 88 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.900 105.9 54.8 -61.1 -41.8 -13.5 -7.2 -28.3 38 38 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.929 110.0 46.0 -57.0 -47.9 -13.3 -8.0 -24.6 39 39 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.903 109.3 54.5 -66.8 -31.0 -13.3 -4.3 -23.7 40 40 A E H X S+ 0 0 87 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.883 107.8 51.8 -68.3 -32.7 -16.2 -3.7 -26.1 41 41 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.914 105.6 53.0 -72.6 -37.0 -18.2 -6.4 -24.3 42 42 A L H <>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 4,-0.3 0.947 114.5 43.6 -62.9 -42.0 -17.5 -4.9 -20.9 43 43 A K H ><5S+ 0 0 110 -4,-2.1 3,-1.1 3,-0.2 -2,-0.2 0.940 113.7 48.6 -66.5 -51.0 -19.0 -1.6 -22.3 44 44 A E H 3<5S+ 0 0 110 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.907 119.4 39.2 -57.7 -42.3 -21.9 -3.1 -24.1 45 45 A K T 3<5S- 0 0 110 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.352 108.5-124.4 -91.6 4.4 -22.9 -5.2 -21.0 46 46 A K T < 5 + 0 0 158 -3,-1.1 2,-0.7 -4,-0.3 -3,-0.2 0.870 54.6 151.7 52.8 50.0 -22.1 -2.4 -18.5 47 47 A V < - 0 0 5 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.947 22.0-175.4-107.4 105.5 -19.7 -4.4 -16.4 48 48 A Y - 0 0 94 -2,-0.7 127,-0.2 -3,-0.1 -5,-0.0 -0.877 13.4-146.8-112.7 102.5 -17.4 -1.7 -15.0 49 49 A P - 0 0 0 0, 0.0 127,-0.2 0, 0.0 3,-0.1 -0.320 8.8-161.5 -68.8 143.7 -14.5 -3.0 -12.9 50 50 A D S S+ 0 0 44 125,-3.2 2,-0.3 1,-0.3 126,-0.2 0.497 76.7 21.7 -93.5 -25.7 -13.3 -0.9 -10.0 51 51 A V E -c 176 0A 3 124,-1.2 126,-2.4 25,-0.2 2,-0.4 -0.984 68.7-145.3-143.0 148.5 -9.9 -2.5 -9.7 52 52 A L E -cd 177 78A 0 25,-2.4 27,-2.2 -2,-0.3 2,-0.4 -0.958 8.2-170.6-118.9 139.5 -7.6 -4.6 -12.0 53 53 A Y E +cd 178 79A 5 124,-2.7 126,-2.7 -2,-0.4 2,-0.3 -0.974 14.6 172.2-120.1 135.3 -5.3 -7.5 -11.2 54 54 A T E -cd 179 80A 0 25,-2.6 27,-2.1 -2,-0.4 30,-0.2 -0.851 31.2-112.8-131.5 170.3 -2.9 -8.8 -13.8 55 55 A S - 0 0 0 124,-0.9 27,-0.2 -2,-0.3 -1,-0.1 -0.244 40.4-102.4 -78.2-167.3 -0.1 -11.3 -13.9 56 56 A K S S+ 0 0 41 25,-0.4 2,-0.5 24,-0.1 260,-0.1 0.219 89.8 106.0-101.1 16.2 3.5 -10.1 -14.5 57 57 A L S >> S- 0 0 0 1,-0.1 4,-1.7 258,-0.1 3,-1.2 -0.835 70.3-136.3-104.1 131.5 3.4 -11.3 -18.2 58 58 A S H 3> S+ 0 0 1 -2,-0.5 4,-3.6 1,-0.3 5,-0.3 0.801 98.6 63.2 -52.3 -42.2 3.1 -8.7 -20.9 59 59 A R H 3> S+ 0 0 5 -34,-0.6 4,-1.5 1,-0.2 -1,-0.3 0.859 108.8 41.4 -57.7 -36.6 0.5 -10.6 -22.9 60 60 A A H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.878 115.9 50.1 -77.0 -34.4 -2.1 -10.3 -20.1 61 61 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.936 110.3 48.8 -68.2 -40.6 -1.1 -6.7 -19.3 62 62 A Q H X S+ 0 0 2 -4,-3.6 4,-2.5 1,-0.2 5,-0.2 0.933 109.7 55.1 -63.2 -45.3 -1.4 -5.6 -22.9 63 63 A T H X S+ 0 0 1 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.2 0.887 110.0 44.3 -51.5 -53.9 -4.8 -7.4 -23.0 64 64 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.937 111.5 53.1 -57.9 -41.5 -6.1 -5.4 -20.0 65 65 A N H X S+ 0 0 15 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.903 113.3 43.5 -62.9 -39.7 -4.8 -2.1 -21.3 66 66 A I H X S+ 0 0 38 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.922 115.6 48.3 -70.1 -44.2 -6.5 -2.5 -24.6 67 67 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.915 111.2 48.7 -63.5 -41.8 -9.8 -3.7 -23.0 68 68 A L H <>S+ 0 0 4 -4,-3.0 5,-2.6 2,-0.2 6,-0.3 0.825 107.5 56.4 -72.0 -21.0 -9.9 -1.0 -20.5 69 69 A E H ><5S+ 0 0 34 -4,-1.3 3,-1.3 -5,-0.2 -2,-0.2 0.963 110.3 45.2 -72.3 -43.9 -9.3 1.6 -23.2 70 70 A K H 3<5S+ 0 0 78 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.840 115.3 46.5 -68.0 -34.5 -12.3 0.3 -25.1 71 71 A A T 3<5S- 0 0 2 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.435 109.2-124.2 -89.4 6.8 -14.5 0.2 -21.9 72 72 A D T < 5S+ 0 0 63 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.910 79.4 112.7 53.2 49.5 -13.4 3.7 -20.9 73 73 A R > < + 0 0 17 -5,-2.6 3,-1.2 -6,-0.1 -4,-0.2 -0.161 23.6 130.5-139.4 38.3 -12.1 2.7 -17.5 74 74 A L T 3 + 0 0 5 -6,-0.3 -5,-0.1 1,-0.2 -6,-0.1 0.708 61.9 69.2 -68.5 -20.5 -8.4 3.2 -17.9 75 75 A W T 3 S+ 0 0 22 222,-0.1 -1,-0.2 -7,-0.1 3,-0.1 0.515 72.0 114.6 -76.1 -10.6 -8.0 5.2 -14.7 76 76 A I S < S- 0 0 1 -3,-1.2 -25,-0.2 1,-0.1 2,-0.1 -0.140 76.2 -95.7 -68.4 150.9 -8.7 2.3 -12.2 77 77 A P - 0 0 65 0, 0.0 -25,-2.4 0, 0.0 2,-0.4 -0.440 38.9-146.4 -68.2 155.7 -6.0 1.1 -10.0 78 78 A V E -d 52 0A 16 241,-0.4 2,-0.4 -27,-0.2 241,-0.4 -0.935 16.0-177.1-131.4 130.5 -3.8 -1.8 -11.0 79 79 A N E -d 53 0A 62 -27,-2.2 -25,-2.6 -2,-0.4 2,-0.4 -0.994 8.1-164.8-123.9 142.7 -2.1 -4.5 -9.1 80 80 A R E +d 54 0A 35 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.963 7.5 178.1-130.8 145.5 0.1 -7.2 -10.5 81 81 A S > - 0 0 11 -27,-2.1 3,-1.6 -2,-0.4 -25,-0.4 -0.991 36.2-136.1-144.7 146.4 1.4 -10.5 -9.0 82 82 A W G > S+ 0 0 16 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.814 101.8 74.5 -63.7 -26.7 3.5 -13.4 -10.2 83 83 A R G 3 S+ 0 0 64 1,-0.3 -1,-0.3 75,-0.1 -28,-0.1 0.648 91.8 53.8 -68.9 -11.1 0.8 -15.7 -8.6 84 84 A L G < S+ 0 0 2 -3,-1.6 97,-0.5 -30,-0.2 -1,-0.3 0.419 86.3 119.7 -96.9 4.4 -1.5 -15.0 -11.5 85 85 A N S < S- 0 0 0 -3,-2.0 3,-0.1 -4,-0.2 -63,-0.1 -0.146 73.4 -93.4 -65.0 160.3 1.1 -16.0 -14.1 86 86 A E - 0 0 20 -65,-0.2 -1,-0.1 1,-0.2 2,-0.0 -0.173 58.8 -74.9 -58.9 163.0 0.5 -18.9 -16.5 87 87 A R - 0 0 6 1,-0.1 2,-0.4 -66,-0.1 -1,-0.2 -0.354 51.0-115.3 -58.0 135.2 1.7 -22.4 -15.6 88 88 A H - 0 0 3 -67,-0.2 61,-1.7 62,-0.1 -67,-0.1 -0.715 22.0-151.3 -73.1 127.2 5.5 -22.6 -15.9 89 89 A Y > - 0 0 23 -2,-0.4 3,-2.1 1,-0.3 4,-0.2 0.291 20.0-153.1 -90.5 11.2 6.1 -25.1 -18.8 90 90 A G G > S- 0 0 0 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 -0.172 71.1 -5.9 57.8-140.2 9.5 -26.3 -17.5 91 91 A D G 3 S+ 0 0 55 30,-3.3 -1,-0.3 1,-0.3 33,-0.1 0.619 127.3 71.2 -65.5 -10.2 11.8 -27.7 -20.2 92 92 A L G X + 0 0 3 -3,-2.1 3,-2.6 29,-0.3 -73,-0.5 0.645 68.7 115.3 -79.4 -15.1 9.0 -27.4 -22.8 93 93 A Q T < S+ 0 0 1 -3,-2.1 -73,-0.2 1,-0.3 36,-0.2 -0.330 86.6 12.1 -54.8 128.7 9.3 -23.6 -22.7 94 94 A G T 3 S+ 0 0 16 -75,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.392 101.7 124.6 83.8 -0.7 10.5 -22.5 -26.2 95 95 A K < - 0 0 66 -3,-2.6 -76,-2.2 -76,-0.2 2,-0.3 -0.587 67.4-107.2 -95.7 152.0 9.9 -25.9 -27.8 96 96 A D B > -G 18 0C 54 -2,-0.2 4,-2.6 -78,-0.2 -78,-0.2 -0.544 21.3-142.1 -74.0 133.1 7.7 -26.7 -30.8 97 97 A K H > S+ 0 0 23 -80,-2.8 4,-1.9 -2,-0.3 -1,-0.1 0.873 100.2 47.2 -66.7 -39.5 4.5 -28.4 -29.9 98 98 A A H > S+ 0 0 34 -81,-0.3 4,-2.0 2,-0.2 5,-0.2 0.939 113.4 48.4 -69.7 -42.1 4.4 -30.7 -33.0 99 99 A E H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.938 111.9 50.7 -61.4 -37.5 8.1 -31.6 -32.5 100 100 A T H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.917 107.7 53.0 -67.8 -38.7 7.4 -32.3 -28.8 101 101 A L H X S+ 0 0 64 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.894 111.2 45.2 -64.1 -40.6 4.4 -34.5 -29.6 102 102 A K H < S+ 0 0 171 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.929 114.4 50.3 -70.7 -37.5 6.5 -36.7 -32.0 103 103 A K H < S+ 0 0 142 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.927 124.6 25.2 -64.3 -49.5 9.3 -36.9 -29.5 104 104 A F H X S- 0 0 53 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.621 104.2-121.9 -91.1 -24.5 7.2 -38.0 -26.5 105 105 A G H X - 0 0 32 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.056 36.1 -78.0 92.3 157.5 4.1 -39.7 -28.0 106 106 A E H > S+ 0 0 137 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.852 127.4 58.0 -61.0 -40.7 0.5 -38.6 -27.5 107 107 A E H > S+ 0 0 159 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.972 113.8 35.0 -55.6 -60.1 0.4 -40.2 -24.0 108 108 A K H X S+ 0 0 108 -4,-0.6 4,-2.8 2,-0.2 5,-0.3 0.964 116.8 56.1 -63.4 -43.9 3.2 -38.2 -22.5 109 109 A F H X S+ 0 0 9 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.909 110.7 43.7 -50.9 -50.9 2.3 -35.1 -24.5 110 110 A N H X S+ 0 0 70 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.852 110.9 54.7 -70.2 -26.8 -1.2 -35.1 -23.1 111 111 A T H X S+ 0 0 44 -4,-1.9 4,-2.7 -5,-0.3 7,-0.3 0.975 112.7 43.1 -68.1 -48.6 -0.0 -35.8 -19.6 112 112 A Y H < S+ 0 0 33 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.893 120.8 41.6 -61.3 -42.2 2.3 -32.8 -19.7 113 113 A R H < S+ 0 0 38 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.916 135.2 9.0 -74.6 -45.4 -0.4 -30.6 -21.4 114 114 A R H < S+ 0 0 40 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.352 83.7 120.3-126.4 13.8 -3.4 -31.7 -19.4 115 115 A S < - 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