==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-NOV-12 4I7E . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS STEAROTHERMOPHILUS; . AUTHOR R.MOSSER,M.REDDY,J.B.BRUNING,J.C.SACCHETTINI,G.D.REINHART . 1276 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 950 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 160 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 3.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 70 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 444 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.2 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 0 3 1 4 0 2 6 1 8 5 6 2 2 0 0 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 7 4 5 10 5 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 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 4 2 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 M 0 0 73 0, 0.0 3,-0.1 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 139.4 40.0 -48.3 4.0 2 2 A K + 0 0 60 1,-0.3 31,-2.7 91,-0.1 2,-0.4 0.824 360.0 16.8 -81.4 -35.4 40.3 -50.1 0.7 3 3 A R E -a 33 0A 54 90,-0.2 92,-2.9 29,-0.2 93,-0.5 -0.989 62.1-179.7-148.8 129.3 37.0 -48.6 -0.6 4 4 A I E -a 34 0A 1 29,-2.6 31,-2.6 -2,-0.4 2,-0.3 -0.725 15.9-136.2-117.3 174.1 34.6 -45.7 0.1 5 5 A G E -ab 35 97A 0 91,-2.3 93,-2.5 -2,-0.2 2,-0.3 -0.852 8.6-162.0-125.0 164.2 31.4 -44.4 -1.2 6 6 A V E +ab 36 98A 0 29,-1.5 31,-2.4 -2,-0.3 2,-0.3 -0.989 12.3 169.8-147.1 136.6 29.9 -41.0 -2.1 7 7 A L E - b 0 99A 0 91,-2.3 93,-2.8 -2,-0.3 2,-0.4 -0.961 24.7-133.6-140.7 163.0 26.3 -39.8 -2.7 8 8 A T E + b 0 100A 0 61,-0.6 2,-0.3 29,-0.5 63,-0.3 -0.928 27.3 175.5-114.7 141.5 24.3 -36.6 -3.1 9 9 A S E + b 0 101A 13 91,-2.1 93,-0.6 -2,-0.4 2,-0.2 -0.989 40.0 26.3-146.3 154.6 21.1 -36.0 -1.3 10 10 A G S S- 0 0 38 61,-0.4 3,-0.1 -2,-0.3 115,-0.1 -0.483 105.1 -17.8 88.8-165.6 18.6 -33.1 -0.8 11 11 A G S S- 0 0 23 -2,-0.2 -2,-0.2 1,-0.1 1106,-0.1 -0.273 81.5 -89.8 -67.1 159.1 18.0 -30.5 -3.5 12 12 A A - 0 0 5 1104,-0.3 114,-0.3 58,-0.1 -1,-0.1 -0.320 46.8-171.2 -60.4 149.7 20.6 -29.8 -6.2 13 13 A S > - 0 0 0 52,-0.1 3,-1.9 112,-0.1 4,-0.3 -0.982 32.1-102.8-146.5 133.8 23.2 -27.2 -5.2 14 14 A P T 3 S+ 0 0 0 0, 0.0 127,-0.2 0, 0.0 50,-0.1 -0.445 109.2 30.7 -60.6 125.5 25.8 -25.5 -7.3 15 15 A G T 3> S+ 0 0 0 48,-0.4 4,-1.9 -2,-0.2 5,-0.2 0.347 76.4 116.5 106.6 -5.2 29.2 -27.2 -6.5 16 16 A M H <> S+ 0 0 0 -3,-1.9 4,-2.0 49,-0.2 5,-0.1 0.887 81.0 51.1 -55.3 -37.8 27.9 -30.7 -5.6 17 17 A N H > S+ 0 0 3 48,-0.6 4,-2.9 46,-0.4 -1,-0.2 0.905 106.4 52.8 -69.8 -40.3 29.9 -31.9 -8.7 18 18 A A H > S+ 0 0 0 43,-0.3 4,-1.8 45,-0.2 -1,-0.2 0.839 110.8 48.6 -55.1 -39.9 33.1 -30.1 -7.5 19 19 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.880 111.1 48.6 -70.2 -42.1 32.7 -31.9 -4.1 20 20 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.940 111.4 51.4 -61.0 -47.9 32.1 -35.3 -5.7 21 21 A R H X S+ 0 0 8 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.889 111.1 48.0 -54.6 -44.6 35.3 -34.7 -7.9 22 22 A S H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.909 110.3 49.7 -66.2 -47.3 37.3 -33.8 -4.8 23 23 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.937 116.3 44.0 -54.7 -49.3 36.1 -36.9 -2.8 24 24 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.947 117.5 42.5 -63.2 -51.5 37.0 -39.1 -5.8 25 25 A R H X S+ 0 0 6 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.881 115.4 49.9 -65.5 -37.6 40.4 -37.6 -6.6 26 26 A K H X S+ 0 0 4 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.894 114.3 44.7 -68.7 -39.5 41.4 -37.3 -2.9 27 27 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.4 -5,-0.3 3,-1.3 0.977 114.7 47.8 -66.8 -53.2 40.6 -40.9 -2.2 28 28 A I H ><5S+ 0 0 43 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.871 104.8 60.6 -59.4 -37.5 42.2 -42.1 -5.4 29 29 A Y H 3<5S+ 0 0 111 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.842 107.9 46.1 -53.7 -35.4 45.3 -40.0 -4.6 30 30 A H T <<5S- 0 0 87 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.256 125.9 -99.7 -94.4 11.2 45.7 -42.1 -1.4 31 31 A G T < 5S+ 0 0 67 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.647 79.3 137.3 80.0 17.2 45.2 -45.4 -3.1 32 32 A V < - 0 0 8 -5,-2.4 -1,-0.3 -6,-0.2 -29,-0.2 -0.788 50.4-131.6 -99.1 136.1 41.5 -45.7 -2.1 33 33 A E E -a 3 0A 62 -31,-2.7 -29,-2.6 -2,-0.4 2,-0.4 -0.566 19.9-153.0 -76.8 150.1 38.7 -46.9 -4.5 34 34 A V E -aC 4 52A 0 18,-0.5 18,-2.8 -31,-0.2 2,-0.4 -0.994 5.5-162.3-132.1 126.6 35.5 -44.8 -4.7 35 35 A Y E -aC 5 51A 43 -31,-2.6 -29,-1.5 -2,-0.4 2,-0.4 -0.888 16.8-133.3-109.4 134.7 32.1 -46.1 -5.6 36 36 A G E -aC 6 50A 0 14,-3.3 14,-2.3 -2,-0.4 2,-0.5 -0.723 10.8-155.5 -86.7 136.0 29.4 -43.7 -6.7 37 37 A V E - C 0 49A 0 -31,-2.4 -29,-0.5 -2,-0.4 3,-0.5 -0.981 16.7-150.5-114.0 116.9 25.9 -44.1 -5.1 38 38 A Y + 0 0 43 10,-2.6 10,-0.2 -2,-0.5 31,-0.2 -0.543 69.4 18.3 -92.4 147.6 23.3 -42.7 -7.4 39 39 A H S >> S- 0 0 61 29,-2.8 4,-1.0 -2,-0.2 3,-0.9 0.789 106.9-100.8 65.0 33.1 19.9 -41.2 -6.4 40 40 A G H 3> S- 0 0 0 29,-0.8 4,-1.5 -3,-0.5 3,-0.2 -0.202 85.4 -17.2 59.5-144.4 21.0 -40.7 -2.7 41 41 A Y H 3> S+ 0 0 9 30,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.774 134.9 64.2 -62.7 -28.6 19.9 -43.1 -0.0 42 42 A A H <> S+ 0 0 35 -3,-0.9 4,-2.3 29,-0.3 -1,-0.2 0.951 106.5 43.3 -59.1 -47.2 17.2 -44.4 -2.4 43 43 A G H X>S+ 0 0 2 -4,-1.0 5,-2.7 2,-0.2 4,-1.2 0.820 108.9 58.1 -67.5 -33.2 20.0 -45.7 -4.7 44 44 A L H <5S+ 0 0 0 -4,-1.5 3,-0.5 3,-0.2 -1,-0.2 0.955 111.0 42.6 -60.0 -49.1 21.9 -47.0 -1.7 45 45 A I H <5S+ 0 0 22 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.880 116.2 47.8 -62.9 -43.0 19.0 -49.2 -0.8 46 46 A A H <5S- 0 0 77 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.614 112.9-118.1 -75.9 -12.5 18.4 -50.2 -4.4 47 47 A G T <5 + 0 0 20 -4,-1.2 2,-1.7 -3,-0.5 -3,-0.2 0.795 55.4 158.8 76.8 29.5 22.1 -51.0 -5.0 48 48 A N < + 0 0 75 -5,-2.7 -10,-2.6 -10,-0.2 2,-0.4 -0.590 26.2 139.8 -83.2 79.2 22.5 -48.3 -7.7 49 49 A I E +C 37 0A 19 -2,-1.7 2,-0.4 -12,-0.2 -12,-0.2 -0.977 26.2 174.2-134.4 131.6 26.2 -48.2 -7.1 50 50 A K E -C 36 0A 66 -14,-2.3 -14,-3.3 -2,-0.4 -2,-0.0 -0.996 36.3-107.0-143.9 131.6 29.0 -48.0 -9.7 51 51 A K E -C 35 0A 70 -2,-0.4 2,-0.5 -16,-0.3 -16,-0.3 -0.263 31.5-141.5 -53.0 142.2 32.8 -47.6 -9.3 52 52 A L E -C 34 0A 3 -18,-2.8 -18,-0.5 -28,-0.0 2,-0.1 -0.968 13.8-155.0-111.2 121.8 34.0 -44.1 -10.2 53 53 A E > - 0 0 92 -2,-0.5 3,-1.2 -20,-0.1 4,-0.5 -0.466 34.3 -99.4 -87.5 164.7 37.4 -43.8 -12.0 54 54 A V G > S+ 0 0 31 1,-0.2 3,-1.0 2,-0.2 -29,-0.1 0.902 125.0 47.2 -47.1 -45.0 39.8 -40.8 -12.0 55 55 A G G > S+ 0 0 39 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.612 92.3 76.6 -80.8 -12.0 38.4 -39.8 -15.4 56 56 A D G < S+ 0 0 81 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.626 99.0 46.6 -71.3 -14.3 34.7 -40.1 -14.5 57 57 A V G X S+ 0 0 0 -3,-1.0 3,-0.8 -4,-0.5 4,-0.4 0.108 87.4 118.6-111.6 16.1 35.0 -36.9 -12.5 58 58 A G T < S+ 0 0 30 -3,-1.4 -3,-0.0 1,-0.2 475,-0.0 -0.568 79.1 13.5 -73.4 147.6 36.8 -35.2 -15.4 59 59 A D T 3 S+ 0 0 57 -2,-0.2 -1,-0.2 1,-0.1 -4,-0.0 0.802 103.5 93.7 48.3 37.2 34.9 -32.2 -16.8 60 60 A I X + 0 0 12 -3,-0.8 3,-2.2 -43,-0.1 -42,-0.2 0.521 52.4 90.0-118.3 -14.5 32.4 -31.9 -13.9 61 61 A I T 3 S+ 0 0 0 -4,-0.4 -43,-0.3 1,-0.3 444,-0.1 0.850 98.0 38.8 -51.2 -34.5 34.2 -29.3 -11.6 62 62 A H T 3 S+ 0 0 2 -45,-0.1 2,-0.3 442,-0.1 -1,-0.3 0.316 96.4 99.6 -97.4 2.6 32.4 -26.5 -13.5 63 63 A R < - 0 0 56 -3,-2.2 -46,-0.4 192,-0.1 -48,-0.4 -0.748 65.2-131.6 -99.0 144.1 29.0 -28.1 -14.0 64 64 A G + 0 0 6 -2,-0.3 191,-0.1 -50,-0.1 189,-0.1 -0.197 69.5 29.1 -76.0 177.3 25.9 -27.5 -11.9 65 65 A G S S- 0 0 3 187,-0.4 -48,-0.6 189,-0.3 2,-0.3 -0.333 96.1 -70.4 71.7-151.4 23.7 -30.2 -10.4 66 66 A T > - 0 0 20 1049,-0.3 3,-1.0 -50,-0.1 4,-0.1 -0.970 17.9-151.9-149.4 125.3 25.0 -33.6 -9.5 67 67 A I T 3 S+ 0 0 49 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.599 103.8 54.1 -70.5 -11.2 26.1 -36.5 -11.8 68 68 A L T 3 S- 0 0 0 -30,-0.1 -29,-2.8 1,-0.1 -28,-0.3 0.547 104.3-142.0 -97.1 -11.6 25.1 -38.9 -9.0 69 69 A Y < - 0 0 83 -3,-1.0 -29,-0.8 -31,-0.2 -61,-0.6 0.221 5.4-117.4 65.5 162.9 21.5 -37.4 -8.8 70 70 A T + 0 0 6 -31,-0.2 1049,-0.7 1047,-0.2 2,-0.3 -0.957 28.3 175.7-130.4 151.4 19.4 -36.9 -5.6 71 71 A A - 0 0 17 -2,-0.3 2,-0.4 -63,-0.3 -61,-0.4 -0.969 36.0-105.4-147.8 153.8 16.1 -38.5 -4.5 72 72 A R - 0 0 161 -2,-0.3 3,-0.1 -63,-0.1 -63,-0.0 -0.701 33.0-167.7 -77.4 131.5 14.0 -38.3 -1.4 73 73 A C > + 0 0 21 -2,-0.4 3,-0.8 1,-0.1 4,-0.4 -0.764 23.0 164.7-129.0 84.9 14.2 -41.5 0.7 74 74 A P G > S+ 0 0 74 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.829 78.0 71.1 -57.9 -37.3 11.6 -41.9 3.5 75 75 A E G > S+ 0 0 86 1,-0.3 3,-0.8 2,-0.2 6,-0.7 0.832 95.9 53.6 -45.8 -35.1 12.6 -45.6 3.6 76 76 A F G < S+ 0 0 8 -3,-0.8 -1,-0.3 1,-0.2 6,-0.2 0.691 89.4 72.6 -80.1 -20.0 15.9 -44.3 5.1 77 77 A K G < S+ 0 0 117 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.329 98.6 68.5 -71.8 8.9 14.1 -42.3 7.9 78 78 A T S <> S- 0 0 73 -3,-0.8 4,-2.2 -4,-0.1 3,-0.4 -0.949 89.0-118.1-154.0 162.0 13.4 -45.8 9.3 79 79 A E T 4 S+ 0 0 126 1,-0.4 4,-0.4 -2,-0.3 -3,-0.1 0.639 109.6 50.5 -99.4 -24.7 15.3 -48.5 10.8 80 80 A E T >> S+ 0 0 68 2,-0.2 4,-1.4 1,-0.1 3,-0.7 0.868 111.3 50.3 -72.9 -41.6 14.6 -51.3 8.2 81 81 A G H >> S+ 0 0 1 -6,-0.7 4,-2.1 -3,-0.4 3,-0.7 0.961 104.8 58.3 -59.4 -50.3 15.6 -48.9 5.3 82 82 A Q H 3X S+ 0 0 16 -4,-2.2 4,-0.6 -7,-0.4 -1,-0.2 0.696 108.3 46.6 -50.5 -23.9 18.8 -48.0 7.1 83 83 A K H <> S+ 0 0 33 -3,-0.7 4,-0.6 -4,-0.4 -1,-0.2 0.552 103.2 58.4-125.8 -2.0 19.8 -51.7 7.2 84 84 A K H S+ 0 0 0 -4,-1.6 5,-2.8 2,-0.2 -2,-0.2 0.873 115.6 43.1 -68.6 -40.2 27.3 -51.3 1.4 90 90 A K H ><5S+ 0 0 118 -4,-2.0 3,-1.0 3,-0.2 -2,-0.2 0.877 110.6 55.5 -72.4 -40.2 28.8 -54.6 2.6 91 91 A K H 3<5S+ 0 0 144 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.837 113.9 41.5 -60.2 -33.7 27.8 -56.4 -0.7 92 92 A H T 3<5S- 0 0 42 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.391 114.2-116.2 -96.5 1.9 29.8 -53.7 -2.6 93 93 A G T < 5 + 0 0 27 -3,-1.0 2,-0.6 1,-0.2 -90,-0.2 0.666 57.5 158.6 76.3 19.5 32.7 -53.7 -0.1 94 94 A I < + 0 0 3 -5,-2.8 -1,-0.2 -6,-0.2 -90,-0.2 -0.677 18.3 179.4 -86.2 119.2 32.1 -50.0 0.9 95 95 A E + 0 0 83 -92,-2.9 2,-0.3 -2,-0.6 -91,-0.2 0.564 64.6 13.7 -97.7 -13.1 33.7 -49.3 4.3 96 96 A G - 0 0 0 -93,-0.5 -91,-2.3 21,-0.2 2,-0.4 -0.981 65.0-142.5-160.3 162.1 32.8 -45.6 4.6 97 97 A L E -bd 5 119A 1 21,-1.9 23,-2.4 -2,-0.3 2,-0.6 -0.989 5.7-154.8-139.2 133.1 30.6 -43.0 3.0 98 98 A V E -bd 6 120A 0 -93,-2.5 -91,-2.3 -2,-0.4 2,-0.6 -0.957 17.3-163.2-103.5 123.0 30.7 -39.3 2.2 99 99 A V E -bd 7 121A 0 21,-2.2 23,-3.3 -2,-0.6 2,-0.6 -0.941 2.5-166.9-107.2 118.0 27.2 -37.7 2.0 100 100 A I E +bd 8 122A 0 -93,-2.8 -91,-2.1 -2,-0.6 2,-0.3 -0.921 47.0 76.4-106.5 114.2 27.0 -34.4 0.2 101 101 A G E S-bd 9 123A 0 21,-2.7 23,-2.7 -2,-0.6 -91,-0.2 -0.954 73.8 -58.8 179.4-159.7 23.8 -32.7 0.9 102 102 A G S >> S- 0 0 12 -93,-0.6 4,-0.9 -2,-0.3 3,-0.5 -0.159 71.5 -60.1 -96.0-164.6 21.7 -30.7 3.4 103 103 A D H >> S+ 0 0 60 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.827 128.4 53.4 -43.1 -52.9 20.4 -31.3 6.9 104 104 A G H 3> S+ 0 0 54 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.873 102.8 57.2 -57.8 -41.1 18.3 -34.4 6.1 105 105 A S H <> S+ 0 0 3 -3,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.777 100.0 60.0 -63.6 -26.6 21.2 -36.2 4.5 106 106 A Y H X S+ 0 0 45 -4,-2.7 4,-1.6 1,-0.2 3,-0.6 0.957 113.3 46.3 -55.9 -57.5 24.7 -40.3 11.9 111 111 A K H 3X S+ 0 0 81 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.861 108.8 56.9 -59.2 -39.2 22.5 -43.4 12.0 112 112 A L H 3<>S+ 0 0 1 -4,-1.9 5,-1.5 -5,-0.2 -1,-0.2 0.843 103.8 52.4 -60.7 -37.6 24.8 -45.3 9.5 113 113 A T H X<5S+ 0 0 35 -4,-1.3 3,-2.3 -3,-0.6 -1,-0.2 0.901 102.3 59.1 -69.0 -40.4 27.9 -44.8 11.8 114 114 A E H 3<5S+ 0 0 117 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.838 102.5 54.6 -53.6 -35.5 26.1 -46.3 14.7 115 115 A H T 3<5S- 0 0 64 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.154 135.3 -89.4 -89.2 18.9 25.6 -49.4 12.6 116 116 A G T < 5S+ 0 0 58 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.732 91.8 119.0 85.3 26.1 29.4 -49.5 12.1 117 117 A F < - 0 0 18 -5,-1.5 164,-0.2 -8,-0.1 -2,-0.2 -0.937 59.6-135.9-120.8 105.2 29.9 -47.4 8.9 118 118 A P + 0 0 37 0, 0.0 -21,-1.9 0, 0.0 2,-0.4 -0.409 31.5 179.5 -54.2 128.4 31.9 -44.3 9.3 119 119 A C E -d 97 0A 0 -23,-0.2 162,-1.7 -10,-0.1 163,-1.0 -0.998 14.8-162.2-133.7 137.7 30.1 -41.6 7.4 120 120 A V E -de 98 282A 0 -23,-2.4 -21,-2.2 -2,-0.4 2,-0.4 -0.990 14.1-139.5-122.1 133.4 31.1 -37.9 7.0 121 121 A G E -de 99 283A 0 161,-2.8 163,-2.3 -2,-0.4 -21,-0.2 -0.737 11.3-164.2 -94.7 135.4 28.6 -35.2 6.0 122 122 A V E -d 100 0A 0 -23,-3.3 -21,-2.7 -2,-0.4 2,-1.1 -0.962 26.5-119.1-118.6 130.3 29.5 -32.4 3.6 123 123 A P E +d 101 0A 0 0, 0.0 14,-2.7 0, 0.0 2,-0.7 -0.564 40.5 164.8 -80.0 102.6 27.2 -29.3 3.4 124 124 A G E +g 137 0B 1 -23,-2.7 2,-0.3 -2,-1.1 14,-0.1 -0.848 28.9 106.0-121.1 94.5 25.8 -29.0 -0.1 125 125 A T E -g 138 0B 18 12,-0.9 14,-0.5 -2,-0.7 3,-0.4 -0.964 61.1-136.7-163.3 149.8 22.8 -26.6 -0.2 126 126 A I S S+ 0 0 1 -114,-0.3 12,-0.1 -2,-0.3 10,-0.1 0.687 95.1 76.1 -79.1 -20.2 22.0 -23.1 -1.4 127 127 A D S S- 0 0 16 1,-0.1 48,-0.4 48,-0.1 49,-0.3 0.631 84.5-144.5 -69.1 -22.4 20.1 -22.3 1.8 128 128 A N + 0 0 5 -3,-0.4 -1,-0.1 1,-0.1 46,-0.1 0.765 59.1 129.5 59.5 31.3 23.1 -21.8 4.1 129 129 A D + 0 0 32 44,-0.1 175,-0.1 175,-0.1 -1,-0.1 -0.123 30.6 111.7-112.1 36.9 21.1 -23.4 6.9 130 130 A I > - 0 0 1 3,-0.2 3,-0.6 -5,-0.1 170,-0.1 -0.937 61.5-127.6-115.4 125.5 23.5 -26.0 8.2 131 131 A P T 3 S+ 0 0 19 0, 0.0 169,-0.1 0, 0.0 168,-0.1 -0.289 89.2 39.1 -56.1 150.7 25.2 -25.9 11.6 132 132 A G T 3 S+ 0 0 7 167,-0.2 2,-0.3 1,-0.1 160,-0.2 0.606 106.7 76.0 80.7 11.9 29.0 -26.3 12.0 133 133 A T < - 0 0 11 -3,-0.6 154,-0.2 152,-0.2 -3,-0.2 -0.940 61.9-154.3-156.3 130.0 29.6 -24.1 8.9 134 134 A D S S+ 0 0 43 152,-3.5 2,-0.3 -2,-0.3 153,-0.1 0.839 91.5 24.2 -64.3 -39.7 29.5 -20.4 8.1 135 135 A F - 0 0 20 151,-0.5 151,-0.4 -6,-0.0 2,-0.3 -0.965 70.0-148.0-132.5 145.6 28.8 -21.2 4.4 136 136 A T > - 0 0 0 -2,-0.3 3,-1.4 -11,-0.1 2,-0.6 -0.801 38.6 -92.9-108.2 157.1 27.3 -24.1 2.6 137 137 A I E 3 S+g 124 0B 0 -14,-2.7 -12,-0.9 -2,-0.3 -9,-0.1 -0.594 113.3 27.3 -75.5 113.2 28.3 -25.1 -0.9 138 138 A G E 3> S+g 125 0B 0 -2,-0.6 4,-2.4 -14,-0.1 -1,-0.2 0.081 91.0 100.2 125.4 -18.0 26.0 -23.5 -3.4 139 139 A F H <> S+ 0 0 0 -3,-1.4 4,-2.3 -14,-0.5 5,-0.2 0.935 82.1 47.6 -59.8 -57.4 25.1 -20.4 -1.3 140 140 A D H > S+ 0 0 0 -4,-0.5 4,-1.7 2,-0.2 438,-0.2 0.870 113.1 50.1 -51.2 -41.9 27.5 -17.9 -3.0 141 141 A T H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.956 108.5 51.9 -67.3 -48.9 26.3 -19.1 -6.4 142 142 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.861 108.0 53.6 -49.7 -43.2 22.7 -18.7 -5.4 143 143 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.857 107.8 48.9 -62.6 -40.6 23.5 -15.2 -4.3 144 144 A N H X S+ 0 0 32 -4,-1.7 4,-1.3 -3,-0.3 -1,-0.2 0.796 108.5 54.0 -69.9 -30.5 25.0 -14.3 -7.7 145 145 A T H X S+ 0 0 12 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.858 110.5 48.1 -64.4 -39.0 21.9 -15.8 -9.4 146 146 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 3,-0.3 0.933 110.4 48.6 -67.2 -45.9 19.7 -13.5 -7.3 147 147 A I H X S+ 0 0 5 -4,-2.3 4,-3.4 1,-0.2 5,-0.2 0.815 102.3 63.8 -70.5 -26.6 21.8 -10.3 -8.0 148 148 A D H X S+ 0 0 60 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.942 107.7 43.2 -51.2 -51.0 21.7 -11.1 -11.7 149 149 A A H X S+ 0 0 3 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.923 115.2 48.4 -60.8 -48.3 17.9 -10.6 -11.5 150 150 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.927 109.3 53.2 -62.2 -42.4 18.2 -7.5 -9.3 151 151 A D H < S+ 0 0 27 -4,-3.4 4,-0.5 1,-0.2 1063,-0.3 0.910 110.4 46.8 -62.0 -42.6 20.8 -6.0 -11.6 152 152 A K H >< S+ 0 0 34 -4,-1.8 3,-1.3 -5,-0.2 1062,-0.4 0.879 107.5 55.8 -64.9 -44.2 18.6 -6.4 -14.6 153 153 A I H >< S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.2 4,-0.5 0.870 97.9 65.6 -54.4 -38.1 15.6 -5.0 -12.8 154 154 A R T 3< S+ 0 0 18 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.740 99.1 52.3 -57.1 -25.3 17.7 -1.9 -12.1 155 155 A D T < S+ 0 0 23 -3,-1.3 -1,-0.3 -4,-0.5 871,-0.2 0.579 103.7 59.1 -82.7 -10.9 17.7 -1.1 -15.8 156 156 A T S < S+ 0 0 0 -3,-1.9 816,-0.4 -4,-0.3 -2,-0.2 0.487 71.9 122.2-104.1 -6.4 14.0 -1.3 -16.2 157 157 A A + 0 0 24 -4,-0.5 873,-0.3 -3,-0.3 2,-0.2 -0.169 29.1 168.0 -64.9 147.5 12.7 1.3 -13.8 158 158 A T - 0 0 13 3,-1.8 873,-0.1 56,-0.1 -2,-0.0 -0.742 52.2 -89.2-137.4-170.1 10.5 4.2 -15.1 159 159 A S S S+ 0 0 71 871,-0.7 3,-0.2 -2,-0.2 872,-0.1 0.887 127.7 33.9 -73.0 -39.9 8.3 6.8 -13.3 160 160 A H S S+ 0 0 38 1,-0.2 2,-0.8 80,-0.1 81,-0.5 0.818 120.9 48.1 -83.8 -38.0 5.2 4.6 -13.2 161 161 A E E S+h 241 0C 9 1,-0.1 -3,-1.8 -5,-0.1 -1,-0.2 -0.809 72.7 125.4-108.1 89.2 7.0 1.2 -12.8 162 162 A R E + 0 0 11 -2,-0.8 54,-2.2 79,-0.6 2,-0.5 0.431 47.3 75.0-128.7 -6.0 9.4 1.9 -10.0 163 163 A T E -hi 242 216C 1 78,-0.9 80,-2.2 52,-0.2 2,-0.4 -0.969 56.0-173.8-127.4 122.6 8.8 -0.7 -7.2 164 164 A Y E -hi 243 217C 3 52,-2.6 54,-2.9 -2,-0.5 2,-0.4 -0.970 12.2-165.5-126.7 133.0 10.0 -4.3 -7.5 165 165 A V E -hi 244 218C 0 78,-2.9 80,-2.5 -2,-0.4 2,-0.5 -0.978 8.9-173.0-111.8 129.2 9.5 -7.3 -5.3 166 166 A I E -hi 245 219C 1 52,-2.8 54,-2.5 -2,-0.4 2,-0.5 -0.994 12.6-148.6-122.6 125.1 11.7 -10.4 -5.8 167 167 A E E -hi 246 220C 31 78,-2.6 80,-1.7 -2,-0.5 81,-0.5 -0.841 19.4-171.6 -94.6 125.8 11.0 -13.6 -4.0 168 168 A V E - 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d 0 739G 0 91,-2.4 93,-2.3 -2,-0.3 2,-0.4 -0.966 24.5-136.4-139.9 162.8 29.9 -36.0 -37.1 648 8 C T E + d 0 740G 0 61,-0.5 63,-0.4 29,-0.5 2,-0.3 -0.970 25.9 173.3-116.6 135.0 31.7 -32.8 -36.0 649 9 C S + 0 0 14 91,-2.3 93,-0.5 -2,-0.4 115,-0.1 -0.932 40.7 36.7-134.9 162.7 34.9 -31.5 -37.7 650 10 C G S S- 0 0 34 61,-0.3 3,-0.1 -2,-0.3 115,-0.1 -0.349 105.1 -29.8 87.7-178.6 37.0 -28.4 -37.5 651 11 C G S S- 0 0 24 1,-0.1 -2,-0.1 -2,-0.1 91,-0.1 -0.271 84.1 -83.8 -61.0 160.7 37.6 -26.5 -34.2 652 12 C A - 0 0 5 -176,-0.3 114,-0.3 58,-0.1 -1,-0.1 -0.351 48.1-168.0 -60.7 147.7 34.9 -26.7 -31.6 653 13 C S > - 0 0 0 52,-0.2 3,-1.9 112,-0.1 4,-0.2 -0.988 30.1-106.0-139.4 131.6 32.1 -24.1 -32.1 654 14 C P T 3 S+ 0 0 0 0, 0.0 127,-0.2 0, 0.0 50,-0.1 -0.383 107.7 35.0 -59.6 126.7 29.4 -23.2 -29.6 655 15 C G T 3> S+ 0 0 0 48,-0.5 4,-1.9 50,-0.2 5,-0.2 0.199 77.3 112.2 111.5 -14.3 26.1 -24.8 -30.8 656 16 C M H <> S+ 0 0 0 -3,-1.9 4,-2.8 49,-0.3 5,-0.2 0.909 81.8 50.9 -53.6 -43.2 27.6 -28.0 -32.3 657 17 C N H > S+ 0 0 4 48,-0.7 4,-2.6 46,-0.4 -1,-0.2 0.914 106.5 53.4 -65.1 -42.3 25.8 -29.9 -29.6 658 18 C A H > S+ 0 0 0 43,-0.4 4,-1.5 45,-0.3 -1,-0.2 0.834 112.1 47.2 -51.6 -36.5 22.5 -28.1 -30.4 659 19 C A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.895 109.5 50.5 -77.2 -44.1 23.1 -29.3 -34.0 660 20 C I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.935 112.4 49.6 -56.3 -47.5 23.9 -32.9 -33.1 661 21 C R H X S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.863 110.1 49.5 -59.6 -41.3 20.7 -32.9 -30.9 662 22 C S H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.918 111.2 49.7 -64.2 -45.1 18.6 -31.5 -33.8 663 23 C V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.920 114.9 43.3 -58.9 -48.1 19.9 -34.1 -36.2 664 24 C V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.954 117.9 44.4 -65.3 -49.6 19.2 -37.0 -33.8 665 25 C R H X S+ 0 0 4 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.877 114.5 47.5 -67.3 -37.7 15.8 -35.8 -32.8 666 26 C K H X S+ 0 0 7 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.2 0.914 114.7 46.7 -69.9 -43.4 14.5 -34.9 -36.3 667 27 C A H ><>S+ 0 0 0 -4,-1.9 5,-2.7 -5,-0.3 3,-1.1 0.941 113.4 48.3 -61.2 -49.6 15.7 -38.2 -37.7 668 28 C I H ><5S+ 0 0 50 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.824 103.9 61.8 -63.0 -30.6 14.2 -40.2 -34.8 669 29 C Y H 3<5S+ 0 0 116 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.784 107.4 44.8 -64.3 -25.9 10.9 -38.2 -35.3 670 30 C H T <<5S- 0 0 93 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.192 126.9-100.7-105.2 15.8 10.8 -39.7 -38.8 671 31 C G T < 5S+ 0 0 69 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.741 77.9 139.0 74.1 26.1 11.7 -43.2 -37.6 672 32 C V < - 0 0 7 -5,-2.7 -1,-0.2 -8,-0.1 2,-0.2 -0.838 49.1-130.4-106.5 137.8 15.3 -43.0 -38.6 673 33 C E E -c 643 0G 65 -31,-2.8 -29,-2.8 -2,-0.4 2,-0.4 -0.606 18.2-154.4 -78.3 144.7 18.3 -44.3 -36.6 674 34 C V E -c 644 0G 0 18,-0.5 18,-2.9 -2,-0.2 2,-0.4 -0.991 4.2-162.6-123.0 131.5 21.3 -42.0 -36.0 675 35 C Y E -cE 645 691G 39 -31,-2.4 -29,-1.5 -2,-0.4 2,-0.3 -0.930 17.7-131.7-111.7 132.7 24.8 -43.2 -35.4 676 36 C G E -cE 646 690G 0 14,-3.4 14,-2.1 -2,-0.4 2,-0.5 -0.679 11.2-154.7 -85.4 135.1 27.4 -40.9 -33.9 677 37 C V E - E 0 689G 0 -31,-2.7 3,-0.5 -2,-0.3 -29,-0.5 -0.974 18.0-148.4-110.5 121.7 30.8 -40.8 -35.5 678 38 C Y + 0 0 49 10,-2.4 10,-0.2 -2,-0.5 5,-0.2 -0.614 68.8 15.9 -96.6 146.7 33.4 -39.7 -33.0 679 39 C H S >> S- 0 0 51 29,-2.9 3,-1.0 -2,-0.2 4,-0.9 0.781 105.9-102.2 63.6 31.9 36.6 -37.7 -33.7 680 40 C G H 3> S- 0 0 0 29,-0.6 4,-1.8 -3,-0.5 3,-0.3 -0.184 86.3 -13.1 59.5-143.7 35.4 -36.5 -37.1 681 41 C Y H 3> S+ 0 0 11 30,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.771 134.8 61.5 -65.2 -26.2 36.8 -38.1 -40.2 682 42 C A H <> S+ 0 0 33 -3,-1.0 4,-2.6 29,-0.3 -1,-0.2 0.939 107.0 44.4 -61.0 -49.4 39.6 -39.8 -38.2 683 43 C G H X>S+ 0 0 2 -4,-0.9 5,-2.6 -3,-0.3 4,-1.5 0.821 110.4 56.1 -65.2 -32.8 37.0 -41.7 -36.1 684 44 C L H ><5S+ 0 0 0 -4,-1.8 3,-0.5 3,-0.2 -2,-0.2 0.975 111.7 41.4 -61.8 -53.6 35.1 -42.5 -39.3 685 45 C I H 3<5S+ 0 0 22 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.4 47.9 -58.1 -43.0 38.2 -44.1 -40.9 686 46 C A H 3<5S- 0 0 67 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.655 115.0-115.9 -74.4 -19.8 39.0 -45.8 -37.5 687 47 C G T <<5 + 0 0 20 -4,-1.5 2,-2.2 -3,-0.5 -3,-0.2 0.689 55.0 159.2 88.9 22.1 35.4 -47.0 -37.0 688 48 C N < + 0 0 67 -5,-2.6 -10,-2.4 -10,-0.2 2,-0.4 -0.493 27.1 142.6 -71.4 74.1 34.5 -45.0 -33.9 689 49 C I E +E 677 0G 22 -2,-2.2 2,-0.3 -12,-0.2 -12,-0.2 -0.962 19.9 163.7-125.5 136.1 30.8 -45.3 -34.5 690 50 C K E -E 676 0G 146 -14,-2.1 -14,-3.4 -2,-0.4 -2,-0.0 -0.988 40.9 -97.2-153.7 140.9 28.0 -45.8 -31.9 691 51 C K E -E 675 0G 67 -2,-0.3 2,-0.7 -16,-0.3 -16,-0.3 -0.305 28.7-145.9 -62.4 133.6 24.2 -45.5 -31.9 692 52 C L - 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