==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE(PHOSPHOTRANSFERASE) 25-JAN-88 2PFK . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTOKINASE ISOZYME I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.R.RYPNIEWSKI,P.R.EVANS . 1207 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 920 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 163 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 3.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 0.2 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 . 64 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 148 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 426 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 3.1 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 3 3 1 1 0 0 5 1 6 4 8 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 7 4 4 8 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 PARALLEL BRIDGES PER LADDER . 0 0 1 3 1 3 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 . 3 0 4 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 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 0 A M 0 0 172 0, 0.0 2,-0.1 0, 0.0 276,-0.1 0.000 360.0 360.0 360.0 116.3 6.5 1.6 20.7 2 1 A I + 0 0 25 274,-0.3 3,-0.1 275,-0.1 93,-0.1 -0.376 360.0 175.7 -69.6 139.9 3.7 0.1 18.7 3 2 A K + 0 0 151 1,-0.4 31,-1.4 91,-0.2 2,-0.3 0.628 67.5 24.1-116.8 -32.3 2.9 1.4 15.3 4 3 A K E -a 34 0A 35 29,-0.2 92,-3.6 90,-0.1 93,-0.9 -0.991 63.2-171.2-146.0 134.3 0.1 -0.9 14.0 5 4 A I E -ab 35 97A 0 29,-2.6 31,-2.4 -2,-0.3 2,-0.3 -0.894 14.0-139.7-127.5 156.3 -2.5 -3.0 15.7 6 5 A G E -ab 36 98A 0 91,-2.6 93,-2.6 -2,-0.3 2,-0.4 -0.817 13.5-159.6-110.3 148.7 -5.1 -5.6 14.8 7 6 A V E +ab 37 99A 0 29,-2.2 31,-2.9 -2,-0.3 2,-0.3 -0.997 16.7 165.5-132.8 136.8 -8.6 -5.9 16.2 8 7 A L E - b 0 100A 0 91,-1.5 93,-2.9 -2,-0.4 2,-0.4 -0.973 28.5-137.7-149.2 160.8 -10.9 -9.0 16.2 9 8 A T E + b 0 101A 0 29,-0.5 32,-0.5 61,-0.5 2,-0.3 -0.968 25.0 177.3-120.7 132.7 -14.1 -10.5 17.7 10 9 A S E + b 0 102A 14 91,-2.3 93,-0.5 -2,-0.4 96,-0.2 -0.975 43.8 28.0-139.2 145.1 -14.2 -14.1 18.8 11 10 A G S S- 0 0 31 61,-1.0 2,-0.2 -2,-0.3 115,-0.1 -0.513 108.7 -17.8 99.5-170.8 -16.9 -16.2 20.5 12 11 A G S S- 0 0 35 -2,-0.2 -2,-0.1 1,-0.1 115,-0.1 -0.533 80.8-107.7 -71.8 137.7 -20.7 -15.6 20.3 13 12 A D - 0 0 46 -2,-0.2 114,-0.3 58,-0.1 -1,-0.1 -0.049 35.7-164.9 -63.7 158.1 -21.5 -12.1 19.1 14 13 A A > - 0 0 0 112,-0.1 3,-2.3 52,-0.1 4,-0.3 -0.981 31.5 -97.3-147.4 140.1 -22.9 -9.5 21.5 15 14 A P T 3 S+ 0 0 0 0, 0.0 127,-0.2 0, 0.0 50,-0.1 -0.346 112.5 35.8 -58.6 123.0 -24.6 -6.2 21.1 16 15 A G T 3> S+ 0 0 0 48,-0.5 4,-2.6 50,-0.4 5,-0.2 0.193 75.8 110.9 117.0 -14.5 -21.9 -3.6 21.5 17 16 A M H <> S+ 0 0 0 -3,-2.3 4,-2.4 1,-0.2 5,-0.2 0.869 84.0 51.8 -55.4 -36.6 -19.0 -5.4 19.9 18 17 A N H > S+ 0 0 3 48,-0.8 4,-2.0 46,-0.5 -1,-0.2 0.893 107.1 49.4 -67.0 -40.6 -19.4 -2.8 17.1 19 18 A A H > S+ 0 0 0 45,-0.3 4,-1.8 43,-0.2 -2,-0.2 0.895 112.3 51.5 -62.8 -40.3 -19.2 0.2 19.6 20 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 3,-0.2 0.939 109.2 47.2 -63.8 -51.1 -16.1 -1.5 21.1 21 20 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.863 112.4 51.9 -58.7 -38.3 -14.3 -1.9 17.6 22 21 A R H X S+ 0 0 27 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.869 108.6 51.2 -61.5 -42.0 -15.2 1.8 17.0 23 22 A G H X S+ 0 0 5 -4,-1.8 4,-2.1 -3,-0.2 5,-0.3 0.962 112.0 45.0 -61.5 -54.7 -13.7 2.7 20.3 24 23 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.937 116.7 47.1 -54.9 -53.0 -10.4 0.9 19.6 25 24 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.857 112.9 45.6 -58.1 -49.1 -10.3 2.4 16.0 26 25 A R H X S+ 0 0 104 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.863 117.0 45.1 -66.2 -38.6 -11.0 6.0 16.9 27 26 A S H X S+ 0 0 27 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.953 110.8 53.8 -65.9 -54.2 -8.5 6.0 19.9 28 27 A A H <>S+ 0 0 0 -4,-2.7 5,-2.3 -5,-0.3 -2,-0.2 0.856 111.1 45.9 -49.4 -45.9 -5.8 4.2 17.8 29 28 A L H ><5S+ 0 0 38 -4,-1.8 3,-2.4 3,-0.2 -1,-0.2 0.941 107.2 56.9 -65.7 -45.3 -6.1 6.9 15.1 30 29 A T H 3<5S+ 0 0 91 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.845 108.3 49.5 -54.1 -37.9 -6.1 9.8 17.6 31 30 A E T 3<5S- 0 0 100 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 -0.010 123.1-106.2 -91.2 23.4 -2.8 8.4 18.8 32 31 A G T < 5S+ 0 0 71 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.449 74.9 133.2 63.6 6.8 -1.3 8.1 15.3 33 32 A L < - 0 0 13 -5,-2.3 2,-0.4 -6,-0.2 -29,-0.2 -0.244 52.9-122.8 -80.4 170.9 -1.5 4.3 14.9 34 33 A E E -a 4 0A 95 -31,-1.4 -29,-2.6 -2,-0.0 2,-0.4 -0.901 22.5-150.8-116.1 141.8 -2.8 2.1 12.1 35 34 A V E -aC 5 53A 0 18,-0.6 18,-1.7 -2,-0.4 2,-0.5 -0.952 8.1-165.3-123.6 138.7 -5.6 -0.4 12.6 36 35 A M E -aC 6 52A 12 -31,-2.4 -29,-2.2 -2,-0.4 2,-0.4 -0.992 15.0-145.3-120.8 122.2 -6.2 -3.7 10.8 37 36 A G E -aC 7 51A 0 14,-3.9 14,-2.6 -2,-0.5 2,-0.5 -0.787 14.4-146.6 -91.1 132.0 -9.6 -5.3 11.3 38 37 A I E > - C 0 50A 0 -31,-2.9 3,-0.6 -2,-0.4 -29,-0.5 -0.907 12.0-130.9-106.6 123.9 -9.4 -9.1 11.3 39 38 A Y T 3 >S- 0 0 84 10,-2.0 5,-0.8 -2,-0.5 31,-0.2 -0.424 75.9 -0.2 -77.0 145.5 -12.3 -11.1 9.9 40 39 A D T >>5S- 0 0 46 29,-2.5 3,-1.4 -2,-0.2 4,-0.6 0.822 103.2 -91.7 50.7 48.3 -13.9 -14.0 11.7 41 40 A G H <>5S- 0 0 0 29,-0.8 4,-1.1 -3,-0.6 3,-0.3 -0.240 95.8 -13.0 59.8-139.8 -11.9 -14.1 14.9 42 41 A Y H 3>5S+ 0 0 12 1,-0.2 4,-2.1 30,-0.2 -1,-0.3 0.659 131.6 66.8 -69.3 -19.7 -8.8 -16.4 15.0 43 42 A L H <>5S+ 0 0 37 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.882 105.4 39.0 -70.3 -43.9 -9.9 -18.1 11.8 44 43 A G H XXS+ 0 0 0 -5,-0.8 5,-2.6 -4,-0.6 4,-0.7 0.767 113.0 58.7 -76.9 -24.0 -9.4 -15.1 9.6 45 44 A L H ><5S+ 0 0 0 -4,-1.1 3,-0.6 1,-0.2 -2,-0.2 0.951 110.5 42.8 -62.8 -51.5 -6.3 -14.3 11.7 46 45 A Y H 3<5S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.758 118.1 44.3 -63.0 -37.5 -5.0 -17.7 10.6 47 46 A E H 3<5S- 0 0 99 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.401 109.8-119.5 -90.2 -6.1 -6.1 -17.3 7.0 48 47 A D T <<5 + 0 0 49 -4,-0.7 2,-0.9 -3,-0.6 -3,-0.2 0.834 58.3 151.5 67.7 39.1 -4.9 -13.7 6.6 49 48 A R < + 0 0 77 -5,-2.6 -10,-2.0 -10,-0.2 2,-0.3 -0.877 22.5 141.3-100.4 100.2 -8.3 -12.2 5.8 50 49 A M E -C 38 0A 20 -2,-0.9 2,-0.3 -12,-0.2 -12,-0.2 -0.870 34.7-153.1-135.8 171.3 -7.9 -8.6 7.2 51 50 A V E -C 37 0A 45 -14,-2.6 -14,-3.9 -2,-0.3 2,-0.5 -0.989 25.0-114.0-148.8 147.3 -8.9 -5.1 6.3 52 51 A Q E -C 36 0A 102 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.742 34.2-151.9 -86.8 122.5 -7.5 -1.6 7.0 53 52 A L E +C 35 0A 5 -18,-1.7 -18,-0.6 -2,-0.5 2,-0.2 -0.839 17.8 175.0 -98.6 132.4 -10.0 0.4 9.2 54 53 A D - 0 0 91 -2,-0.4 4,-0.4 -20,-0.1 5,-0.1 -0.535 49.5 -84.6-124.2-174.0 -10.2 4.2 9.1 55 54 A R S > S+ 0 0 124 1,-0.2 3,-0.8 -2,-0.2 4,-0.2 0.845 126.7 50.7 -63.4 -41.5 -12.5 6.8 10.7 56 55 A Y G > S+ 0 0 90 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.825 99.3 64.7 -65.1 -41.1 -15.1 6.5 8.1 57 56 A S G 3 S+ 0 0 39 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.588 113.5 31.4 -67.0 -13.1 -15.3 2.7 8.3 58 57 A V G X S+ 0 0 1 -3,-0.8 3,-1.6 -4,-0.4 4,-0.3 0.185 87.2 109.0-126.1 5.6 -16.6 2.8 11.9 59 58 A S T < S+ 0 0 76 -3,-0.9 3,-0.2 1,-0.3 -2,-0.1 0.737 86.9 34.8 -56.5 -30.8 -18.6 6.0 11.6 60 59 A D T 3 S+ 0 0 69 -4,-0.3 3,-0.4 1,-0.1 -1,-0.3 0.169 93.2 98.0-110.9 14.8 -22.0 4.3 11.7 61 60 A M X + 0 0 16 -3,-1.6 3,-0.8 1,-0.2 -2,-0.1 0.565 53.6 83.0 -83.1 -13.2 -21.2 1.5 14.1 62 61 A I T 3 S+ 0 0 12 -4,-0.3 -43,-0.2 1,-0.2 -1,-0.2 0.778 98.8 36.0 -64.8 -32.1 -22.3 2.6 17.6 63 62 A N T 3 S+ 0 0 48 -3,-0.4 2,-0.3 193,-0.1 -1,-0.2 0.447 95.9 108.9-102.8 4.2 -26.0 1.7 17.4 64 63 A R < - 0 0 121 -3,-0.8 -48,-0.5 192,-0.2 -46,-0.5 -0.644 59.2-140.5 -87.8 132.5 -25.4 -1.5 15.3 65 64 A G + 0 0 27 -2,-0.3 191,-0.1 -50,-0.1 189,-0.1 -0.201 63.2 28.5 -79.8 174.4 -25.8 -5.0 16.7 66 65 A G S S- 0 0 16 187,-0.4 -48,-0.8 189,-0.3 2,-0.4 -0.192 97.7 -70.5 72.0-166.7 -23.6 -8.0 15.9 67 66 A T > - 0 0 20 -50,-0.1 3,-1.5 -49,-0.1 -1,-0.1 -0.964 32.2-151.7-127.6 115.1 -19.9 -7.8 15.0 68 67 A F T 3 S+ 0 0 62 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.503 96.5 54.0 -64.9 -11.1 -19.2 -6.3 11.6 69 68 A L T 3 S- 0 0 3 1,-0.2 -29,-2.5 -31,-0.1 -1,-0.3 0.497 110.1-126.5 -96.4 -12.5 -15.9 -8.3 11.3 70 69 A G < - 0 0 19 -3,-1.5 -29,-0.8 -31,-0.2 -61,-0.5 0.049 13.7-119.5 83.2 170.6 -17.6 -11.6 12.0 71 70 A S - 0 0 42 -31,-0.3 2,-0.3 -63,-0.1 -61,-0.2 -0.993 27.3-179.5-143.8 143.3 -16.9 -14.3 14.6 72 71 A A - 0 0 26 -2,-0.3 -61,-1.0 -63,-0.3 2,-0.5 -0.793 31.3-116.2-137.4 175.0 -15.9 -18.0 14.0 73 72 A R + 0 0 113 -2,-0.3 3,-0.1 -63,-0.1 -2,-0.0 -0.999 35.4 166.9-117.2 114.9 -15.1 -21.1 16.1 74 73 A F > + 0 0 35 -2,-0.5 3,-1.1 1,-0.1 -2,-0.0 -0.740 4.1 166.9-135.5 80.1 -11.5 -22.1 15.3 75 74 A P G > + 0 0 68 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.739 66.6 82.2 -66.7 -22.4 -10.8 -24.6 18.1 76 75 A E G > + 0 0 99 1,-0.3 3,-0.9 2,-0.2 6,-0.3 0.407 66.8 85.8 -62.2 0.4 -7.7 -25.6 16.1 77 76 A F G < + 0 0 13 -3,-1.1 -1,-0.3 1,-0.2 6,-0.1 0.530 69.0 78.3 -82.6 -7.7 -6.0 -22.5 17.7 78 77 A R G < S+ 0 0 204 -3,-1.8 2,-0.5 4,-0.1 -1,-0.2 0.717 81.7 91.9 -74.4 -17.2 -5.2 -24.9 20.6 79 78 A D S X> S- 0 0 64 -3,-0.9 4,-2.9 1,-0.1 3,-1.3 -0.671 71.2-148.9 -92.9 123.6 -2.4 -26.1 18.1 80 79 A E H 3> S+ 0 0 119 -2,-0.5 4,-2.2 1,-0.3 -1,-0.1 0.830 99.7 56.6 -49.1 -45.0 1.1 -24.6 18.1 81 80 A N H 3> S+ 0 0 121 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.736 110.2 44.6 -64.7 -32.5 1.4 -25.2 14.4 82 81 A I H X> S+ 0 0 30 -3,-1.3 4,-1.3 -6,-0.3 3,-0.7 0.906 112.6 49.4 -81.8 -44.1 -1.7 -23.1 13.7 83 82 A R H 3X S+ 0 0 14 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.852 104.4 64.5 -60.8 -33.5 -0.7 -20.3 16.1 84 83 A A H 3X S+ 0 0 37 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.886 102.9 44.5 -51.6 -47.9 2.6 -20.4 14.3 85 84 A V H S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-1.0 0.899 115.0 49.4 -59.7 -46.7 0.8 -10.8 11.8 91 90 A K H ><5S+ 0 0 119 -4,-3.8 3,-2.8 2,-0.2 -2,-0.2 0.993 106.7 52.8 -59.1 -62.4 4.5 -10.4 11.2 92 91 A K H 3<5S+ 0 0 194 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.823 115.3 43.6 -39.8 -45.9 4.2 -10.3 7.4 93 92 A R H 3<5S- 0 0 74 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.567 112.1-120.8 -75.0 -19.6 1.7 -7.4 7.9 94 93 A G T <<5 + 0 0 36 -3,-2.8 2,-0.6 -4,-1.0 -3,-0.2 0.831 49.9 164.5 78.1 37.4 3.7 -5.6 10.6 95 94 A I < - 0 0 3 -5,-2.5 -1,-0.2 1,-0.2 -90,-0.2 -0.835 19.1-171.7 -90.9 123.6 1.1 -5.8 13.3 96 95 A D - 0 0 59 -92,-3.6 2,-0.3 -2,-0.6 -91,-0.2 0.845 62.5 -2.6 -81.9 -43.5 2.6 -5.0 16.7 97 96 A A E -b 5 0A 0 -93,-0.9 -91,-2.6 21,-0.1 2,-0.3 -0.878 62.2-133.9-142.7 176.9 -0.4 -5.9 19.0 98 97 A L E -bd 6 120A 0 21,-2.6 23,-2.0 -2,-0.3 2,-0.4 -0.999 5.4-147.8-142.3 138.5 -4.0 -7.0 19.1 99 98 A V E -bd 7 121A 0 -93,-2.6 -91,-1.5 -2,-0.3 2,-0.5 -0.846 21.0-163.6-101.0 139.3 -7.3 -6.2 20.7 100 99 A V E -bd 8 122A 0 21,-2.8 23,-2.6 -2,-0.4 2,-0.5 -0.998 3.5-167.8-124.7 122.1 -9.4 -9.3 21.2 101 100 A I E +bd 9 123A 0 -93,-2.9 -91,-2.3 -2,-0.5 2,-0.3 -0.967 43.7 70.3-111.7 122.8 -13.1 -8.8 21.9 102 101 A G E S-bd 10 124A 0 21,-2.3 23,-2.5 -2,-0.5 -91,-0.2 -0.970 72.3 -44.9 170.2-163.6 -15.0 -11.9 23.1 103 102 A G S >> S- 0 0 15 -93,-0.5 4,-1.1 -2,-0.3 3,-0.6 -0.013 70.7 -72.4 -85.8-169.4 -15.8 -14.5 25.8 104 103 A D H >> S+ 0 0 91 26,-0.3 4,-1.0 1,-0.2 3,-1.0 0.918 129.9 58.5 -52.8 -48.0 -13.6 -16.7 28.2 105 104 A G H 3> S+ 0 0 59 1,-0.3 4,-0.9 2,-0.2 3,-0.4 0.816 100.1 53.1 -49.5 -46.1 -12.6 -18.7 25.1 106 105 A S H <> S+ 0 0 2 -3,-0.6 4,-0.6 1,-0.2 -1,-0.3 0.782 102.2 61.3 -64.7 -30.0 -11.1 -15.8 23.2 107 106 A Y H X S+ 0 0 19 -4,-2.3 4,-2.3 1,-0.2 3,-0.9 0.951 109.4 52.6 -58.6 -55.5 -2.6 -15.4 26.4 112 111 A R H 3X S+ 0 0 81 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.733 108.2 48.3 -54.6 -35.0 -1.0 -17.8 23.9 113 112 A L H 3<>S+ 0 0 0 -4,-1.1 5,-2.9 2,-0.2 -1,-0.3 0.698 107.8 58.4 -79.3 -23.4 -0.1 -14.9 21.5 114 113 A T H X<5S+ 0 0 41 -4,-1.1 3,-1.7 -3,-0.9 -2,-0.2 0.982 106.4 47.7 -66.0 -54.2 1.3 -13.1 24.5 115 114 A E H 3<5S+ 0 0 119 -4,-2.3 2,-2.2 1,-0.3 -2,-0.2 0.955 108.4 51.7 -52.5 -72.3 3.7 -16.0 25.2 116 115 A M T 3<5S- 0 0 55 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.444 133.0 -97.3 -50.6 13.8 4.8 -16.1 21.5 117 116 A G T < 5S+ 0 0 50 -2,-2.2 -3,-0.2 -3,-1.7 -1,-0.2 0.874 83.1 131.4 65.8 52.8 5.4 -12.4 22.0 118 117 A F < - 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0 0 9 -3,-2.2 3,-0.5 1,-0.1 4,-0.2 -0.890 54.5-164.8-153.7 118.6 37.1 39.2 75.3 1080 174 D G >> + 0 0 0 -2,-0.3 4,-3.4 1,-0.2 3,-1.0 0.549 64.5 102.2 -78.2 -9.4 40.6 38.2 74.1 1081 175 D D H 3> S+ 0 0 65 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.807 81.6 48.0 -39.5 -56.3 40.1 34.4 74.5 1082 176 D L H 3> S+ 0 0 0 -3,-0.5 4,-1.5 -49,-0.4 -1,-0.3 0.814 115.6 45.7 -62.5 -36.4 39.6 33.8 70.8 1083 177 D T H <> S+ 0 0 0 -3,-1.0 4,-2.8 -4,-0.2 -2,-0.2 0.887 113.5 49.1 -72.0 -43.8 42.7 35.9 69.9 1084 178 D L H X S+ 0 0 69 -4,-3.4 4,-2.7 2,-0.2 -2,-0.2 0.976 113.1 45.8 -57.3 -56.3 44.8 34.3 72.6 1085 179 D A H X S+ 0 0 15 -4,-2.9 4,-3.4 1,-0.3 5,-0.3 0.874 114.8 47.5 -53.3 -46.2 43.9 30.7 71.6 1086 180 D A H X S+ 0 0 0 -4,-1.5 4,-2.8 -5,-0.2 -1,-0.3 0.891 109.0 54.2 -65.6 -43.0 44.4 31.4 68.0 1087 181 D A H X>S+ 0 0 6 -4,-2.8 5,-2.5 2,-0.2 4,-1.0 0.933 114.2 42.3 -60.1 -44.7 47.8 33.1 68.7 1088 182 D I H ><5S+ 0 0 74 -4,-2.7 3,-1.3 -5,-0.2 -2,-0.2 0.996 120.7 39.2 -64.8 -59.8 48.9 30.0 70.5 1089 183 D A H 3<5S+ 0 0 0 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.758 117.8 52.1 -61.0 -25.2 47.5 27.4 68.1 1090 184 D G H 3<5S- 0 0 2 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.610 107.3-125.8 -83.8 -19.1 48.6 29.6 65.2 1091 185 D G T <<5 + 0 0 11 -3,-1.3 2,-0.5 -4,-1.0 -3,-0.2 0.849 45.0 175.6 70.2 40.1 52.1 30.0 66.4 1092 186 D C < - 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