==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-NOV-11 3UMO . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTOKINASE ISOZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.M.PEREIRA,A.CANIUGUIR,M.BAEZ,R.CABRERA,R.C.GARRATT,J.BABUL . 618 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25884.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 54 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 0 0 0 2 2 0 0 7 1 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 2 4 6 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 . 0 0 0 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 0 140 0, 0.0 267,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 135.7 2.8 -31.3 37.0 2 2 A V - 0 0 54 265,-0.7 2,-0.1 129,-0.1 130,-0.1 -0.353 360.0 -88.6 -79.7 165.8 5.6 -29.1 38.3 3 3 A R - 0 0 125 -2,-0.1 130,-2.5 52,-0.0 2,-0.4 -0.411 38.0-143.0 -76.2 152.8 5.3 -25.3 38.5 4 4 A I E +ab 55 133A 4 50,-0.5 52,-2.2 128,-0.2 2,-0.3 -0.961 18.4 177.7-122.2 133.4 6.3 -23.1 35.5 5 5 A Y E -ab 56 134A 26 128,-3.0 130,-2.9 -2,-0.4 2,-0.3 -0.929 11.1-154.8-126.1 153.2 8.0 -19.7 35.5 6 6 A T E -ab 57 135A 0 50,-2.8 52,-3.2 -2,-0.3 2,-0.4 -0.940 3.6-151.0-126.1 156.1 9.2 -17.4 32.7 7 7 A L E -ab 58 136A 0 128,-3.0 130,-1.9 -2,-0.3 2,-0.5 -0.987 11.5-179.9-129.1 123.7 11.9 -14.8 32.6 8 8 A T + 0 0 0 50,-2.4 130,-0.1 -2,-0.4 132,-0.1 -0.903 6.2 177.8-124.8 99.4 11.7 -11.7 30.4 9 9 A L S S+ 0 0 9 -2,-0.5 -1,-0.1 1,-0.3 131,-0.1 0.762 84.6 40.0 -73.8 -22.5 14.8 -9.5 30.8 10 10 A A S S+ 0 0 11 129,-0.3 129,-0.3 100,-0.1 -1,-0.3 -0.636 78.7 165.9-125.7 74.0 13.4 -7.2 28.1 11 11 A P - 0 0 6 0, 0.0 100,-0.5 0, 0.0 79,-0.4 -0.279 14.3-161.9 -76.4 172.1 9.7 -6.8 28.5 12 12 A S E -J 38 0B 6 26,-1.9 26,-2.5 77,-0.1 2,-0.7 -0.995 27.4-132.1-150.9 157.4 7.6 -4.1 26.7 13 13 A L E -J 37 0B 0 77,-2.5 2,-0.2 -2,-0.3 79,-0.1 -0.933 41.1-153.6-104.0 103.2 4.3 -2.3 26.8 14 14 A D E -J 36 0B 23 22,-2.6 22,-2.2 -2,-0.7 2,-0.5 -0.546 7.6-146.8 -87.4 143.3 3.3 -2.6 23.1 15 15 A S E -Jk 35 93B 10 77,-2.7 79,-3.0 -2,-0.2 2,-0.6 -0.924 7.4-162.3-105.2 128.5 1.0 -0.2 21.3 16 16 A A E +Jk 34 94B 22 18,-2.5 18,-2.6 -2,-0.5 2,-0.3 -0.958 21.4 169.2-109.5 121.5 -1.2 -1.5 18.6 17 17 A T E - k 0 95B 1 77,-3.0 79,-2.9 -2,-0.6 2,-0.4 -0.840 25.0-135.9-130.4 167.1 -2.5 1.3 16.3 18 18 A I E + k 0 96B 66 -2,-0.3 13,-2.4 77,-0.2 79,-0.2 -0.949 19.3 173.1-125.8 140.9 -4.4 1.6 13.0 19 19 A T E - k 0 97B 3 77,-2.4 79,-2.5 -2,-0.4 80,-0.3 -0.984 33.0-128.8-143.8 151.0 -3.8 3.9 10.0 20 20 A P S S+ 0 0 69 0, 0.0 79,-2.2 0, 0.0 2,-0.3 0.913 85.4 6.2 -71.0 -40.6 -5.4 4.1 6.6 21 21 A Q - 0 0 108 77,-0.1 2,-0.5 78,-0.1 77,-0.1 -0.913 63.0-135.1-137.6 160.6 -2.3 4.0 4.4 22 22 A I + 0 0 37 -2,-0.3 392,-0.0 75,-0.1 75,-0.0 -0.986 41.0 132.7-123.3 126.9 1.4 3.7 4.7 23 23 A Y - 0 0 116 -2,-0.5 392,-0.4 3,-0.1 -2,-0.1 -0.956 47.3-101.5-160.0 159.4 3.8 6.0 2.9 24 24 A P S S+ 0 0 40 0, 0.0 2,-2.1 0, 0.0 390,-0.2 -0.277 85.8 23.8 -86.9 174.2 6.9 8.0 3.8 25 25 A E S S+ 0 0 61 388,-3.0 389,-0.1 1,-0.1 3,-0.1 -0.340 98.9 83.9 77.2 -55.4 7.5 11.6 4.6 26 26 A G S S- 0 0 25 -2,-2.1 389,-0.7 1,-0.1 2,-0.5 -0.229 90.6 -90.6 -77.3 166.8 4.0 12.7 5.7 27 27 A K E -n 415 0C 125 387,-0.1 2,-0.8 389,-0.1 389,-0.2 -0.663 34.6-147.8 -75.7 122.6 2.4 12.4 9.1 28 28 A L E -n 416 0C 3 387,-2.7 389,-2.8 -2,-0.5 2,-0.6 -0.847 13.9-139.1 -92.3 111.3 0.5 9.1 9.3 29 29 A R E -n 417 0C 210 -2,-0.8 2,-0.3 387,-0.2 389,-0.2 -0.610 25.5-167.7 -73.2 115.7 -2.5 9.7 11.6 30 30 A C - 0 0 11 387,-3.0 -11,-0.2 -2,-0.6 65,-0.0 -0.819 20.0-110.5-109.5 145.1 -2.7 6.7 13.8 31 31 A T - 0 0 69 -13,-2.4 3,-0.1 -2,-0.3 -1,-0.1 -0.234 51.6 -75.6 -67.2 160.3 -5.6 5.7 16.1 32 32 A A - 0 0 67 386,-0.1 -1,-0.2 1,-0.1 388,-0.0 -0.395 66.9-110.9 -55.9 124.8 -5.4 5.8 19.9 33 33 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 -16,-0.2 -0.243 14.7-136.6 -71.0 148.3 -3.3 2.7 20.6 34 34 A V E -J 16 0B 101 -18,-2.6 -18,-2.5 -3,-0.1 2,-0.3 -0.902 28.4-136.6 -93.6 127.2 -4.5 -0.4 22.3 35 35 A F E +J 15 0B 33 -2,-0.5 -20,-0.2 -20,-0.2 -22,-0.0 -0.652 27.6 172.7 -90.5 142.9 -1.8 -1.5 24.8 36 36 A E E -J 14 0B 29 -22,-2.2 -22,-2.6 -2,-0.3 2,-0.1 -0.986 37.8 -93.6-144.3 153.3 -0.7 -5.1 25.2 37 37 A P E -J 13 0B 1 0, 0.0 2,-0.3 0, 0.0 -24,-0.2 -0.423 43.9-168.2 -65.6 139.0 2.0 -7.0 27.1 38 38 A G E +J 12 0B 0 -26,-2.5 -26,-1.9 -2,-0.1 2,-0.1 -0.915 31.4 82.2-128.5 156.9 5.1 -7.6 25.1 39 39 A G S > S- 0 0 16 -2,-0.3 4,-2.6 -28,-0.3 5,-0.2 -0.169 71.0 -98.0 123.6 145.0 8.2 -9.8 25.6 40 40 A G H > S+ 0 0 9 -30,-0.3 4,-2.2 2,-0.2 98,-0.3 0.953 118.5 37.1 -56.7 -64.3 9.2 -13.4 25.1 41 41 A G H > S+ 0 0 0 96,-1.8 4,-2.2 -34,-0.3 -1,-0.2 0.848 116.2 55.4 -60.4 -36.5 8.7 -14.9 28.5 42 42 A I H > S+ 0 0 0 95,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 109.9 45.4 -62.2 -45.0 5.7 -12.8 29.1 43 43 A N H X S+ 0 0 23 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.845 108.6 56.2 -69.1 -33.4 4.0 -14.1 25.9 44 44 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.930 108.8 48.5 -59.6 -43.9 5.0 -17.7 26.8 45 45 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 10,-0.2 0.884 111.4 49.2 -64.2 -39.5 3.2 -17.2 30.1 46 46 A R H X S+ 0 0 29 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.915 110.6 50.1 -66.2 -42.0 0.1 -15.8 28.3 47 47 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.897 108.0 54.0 -62.3 -40.0 0.1 -18.7 25.8 48 48 A I H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.3 0.917 107.0 51.1 -62.6 -41.3 0.3 -21.1 28.7 49 49 A A H ><5S+ 0 0 35 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.923 108.4 51.8 -59.4 -45.5 -2.8 -19.5 30.2 50 50 A H H 3<5S+ 0 0 79 -4,-2.2 247,-0.4 1,-0.3 -1,-0.2 0.865 107.4 53.2 -58.6 -36.9 -4.6 -19.9 26.9 51 51 A L T 3<5S- 0 0 15 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.423 126.5-100.1 -84.1 2.7 -3.8 -23.5 26.8 52 52 A G T < 5S+ 0 0 67 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.454 87.9 105.4 99.3 2.2 -5.2 -24.1 30.3 53 53 A G < - 0 0 23 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.245 62.0-121.6-100.0-169.7 -2.0 -24.0 32.3 54 54 A S + 0 0 80 -2,-0.1 -50,-0.5 -3,-0.1 2,-0.3 -0.997 25.7 172.4-140.6 134.2 -0.4 -21.5 34.6 55 55 A A E -a 4 0A 3 -2,-0.4 2,-0.6 -10,-0.2 -50,-0.2 -0.997 26.9-132.2-142.2 137.3 3.0 -19.8 34.5 56 56 A T E -a 5 0A 14 -52,-2.2 -50,-2.8 -2,-0.3 2,-0.6 -0.790 20.7-142.6 -92.0 122.6 4.4 -17.0 36.6 57 57 A A E -ac 6 80A 0 22,-2.6 24,-2.3 -2,-0.6 2,-0.5 -0.748 12.3-163.6 -88.6 118.4 6.1 -14.2 34.6 58 58 A I E +ac 7 81A 2 -52,-3.2 -50,-2.4 -2,-0.6 24,-0.2 -0.872 29.5 135.4-100.1 129.9 9.2 -12.7 36.2 59 59 A F E - c 0 82A 0 22,-1.5 24,-1.5 -2,-0.5 2,-0.3 -0.979 53.9-100.1-166.9 155.2 10.4 -9.4 34.7 60 60 A P E - c 0 83A 9 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.657 37.1-170.5 -79.3 140.4 11.6 -5.9 35.5 61 61 A A E - c 0 84A 10 22,-2.6 24,-2.4 -2,-0.3 2,-0.4 -0.998 4.4-178.1-133.7 139.0 9.0 -3.1 35.3 62 62 A G > - 0 0 1 -2,-0.4 27,-2.4 22,-0.2 4,-1.6 -0.997 41.4 -15.6-141.5 140.4 9.5 0.6 35.5 63 63 A G H > S- 0 0 30 -2,-0.4 4,-2.0 22,-0.3 5,-0.1 -0.038 101.8 -44.5 68.9-170.5 7.4 3.8 35.5 64 64 A A H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.786 137.7 56.6 -68.0 -29.8 3.8 4.1 34.5 65 65 A T H > S+ 0 0 3 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.904 107.9 48.0 -67.4 -40.9 4.3 2.0 31.4 66 66 A G H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.882 109.3 53.4 -64.0 -39.2 5.5 -0.8 33.6 67 67 A E H X S+ 0 0 142 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.899 109.8 47.8 -61.5 -40.8 2.6 -0.3 35.9 68 68 A H H X S+ 0 0 58 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.887 108.7 54.0 -69.6 -39.4 0.2 -0.7 33.0 69 69 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.932 110.7 46.6 -56.1 -47.8 2.1 -3.8 31.8 70 70 A V H X S+ 0 0 43 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.894 112.1 51.1 -62.1 -41.1 1.6 -5.3 35.2 71 71 A S H X S+ 0 0 53 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.859 106.8 53.3 -66.3 -37.9 -2.1 -4.3 35.3 72 72 A L H X S+ 0 0 29 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.893 109.8 48.1 -64.3 -40.2 -2.7 -5.9 31.8 73 73 A L H <>S+ 0 0 0 -4,-1.8 5,-2.7 2,-0.2 -2,-0.2 0.856 108.7 54.0 -69.6 -35.2 -1.3 -9.2 33.0 74 74 A A H ><5S+ 0 0 57 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.909 107.2 51.3 -62.6 -42.7 -3.4 -9.1 36.2 75 75 A D H 3<5S+ 0 0 119 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.757 110.2 49.7 -65.6 -25.3 -6.5 -8.6 34.0 76 76 A E T 3<5S- 0 0 66 -4,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.368 114.7-120.6 -92.9 3.1 -5.4 -11.6 32.0 77 77 A N T < 5 + 0 0 141 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.800 62.0 147.8 59.2 33.5 -5.0 -13.6 35.2 78 78 A V < - 0 0 7 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.889 46.9-129.8 -95.9 116.7 -1.3 -14.2 34.5 79 79 A P - 0 0 48 0, 0.0 -22,-2.6 0, 0.0 2,-0.3 -0.394 31.2-169.7 -65.8 143.1 0.6 -14.4 37.8 80 80 A V E -c 57 0A 50 -24,-0.3 2,-0.3 -2,-0.1 -22,-0.2 -0.872 26.3-161.5-130.8 165.5 3.7 -12.2 37.9 81 81 A A E -c 58 0A 24 -24,-2.3 -22,-1.5 -2,-0.3 2,-0.2 -0.893 29.7-172.9-144.5 111.9 6.8 -11.5 40.1 82 82 A T E -c 59 0A 61 -2,-0.3 2,-0.4 -24,-0.2 -24,-0.1 -0.692 24.7-150.5-114.4 159.8 8.4 -8.2 39.3 83 83 A V E -c 60 0A 6 -24,-1.5 -22,-2.6 -2,-0.2 2,-0.4 -0.996 30.3-122.9-120.8 131.3 11.4 -6.1 40.1 84 84 A E E -c 61 0A 158 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.627 32.2-161.9 -76.8 126.3 11.1 -2.3 40.0 85 85 A A - 0 0 8 -24,-2.4 -22,-0.3 -2,-0.4 4,-0.1 -0.818 23.8-134.5-112.0 152.4 13.6 -0.8 37.6 86 86 A K S S+ 0 0 178 -2,-0.3 2,-0.3 -24,-0.1 -1,-0.1 0.901 90.1 70.4 -69.0 -43.4 14.8 2.7 37.3 87 87 A D S S- 0 0 39 25,-0.4 -2,-0.1 1,-0.1 24,-0.1 -0.620 95.2-110.5 -80.6 132.2 14.5 2.9 33.5 88 88 A W - 0 0 19 -2,-0.3 -25,-0.2 1,-0.1 24,-0.1 -0.298 37.5 -91.5 -70.0 144.3 10.9 3.0 32.3 89 89 A T - 0 0 4 -27,-2.4 -1,-0.1 -4,-0.1 -77,-0.1 -0.304 49.6-128.9 -56.0 123.6 9.3 -0.0 30.5 90 90 A R - 0 0 37 -79,-0.4 -77,-2.5 -3,-0.1 2,-0.4 -0.246 14.3-131.5 -79.4 164.5 9.8 0.5 26.7 91 91 A Q - 0 0 23 -79,-0.2 2,-0.3 18,-0.1 -77,-0.2 -0.958 10.3-161.0-123.7 129.8 7.2 0.3 24.0 92 92 A N - 0 0 26 -2,-0.4 -77,-2.7 15,-0.1 2,-0.5 -0.701 22.2-129.3 -97.6 161.5 7.2 -1.4 20.6 93 93 A L E -kL 15 106B 11 13,-1.9 13,-3.0 -2,-0.3 2,-0.5 -0.953 17.2-170.4-122.5 127.2 4.7 -0.4 17.9 94 94 A H E -kL 16 105B 20 -79,-3.0 -77,-3.0 -2,-0.5 2,-0.5 -0.959 13.4-167.7-110.5 120.6 2.4 -2.6 15.9 95 95 A V E -kL 17 104B 0 9,-3.1 9,-2.6 -2,-0.5 2,-0.5 -0.939 8.3-160.1-116.2 120.6 0.7 -0.7 13.0 96 96 A H E -kL 18 103B 69 -79,-2.9 -77,-2.4 -2,-0.5 2,-0.7 -0.847 10.8-149.2 -94.1 127.5 -2.2 -2.1 11.0 97 97 A V E >> -k 19 0B 2 5,-3.0 4,-2.5 -2,-0.5 3,-0.5 -0.868 3.0-158.4 -98.3 114.9 -2.7 -0.6 7.6 98 98 A E T 34 S+ 0 0 123 -79,-2.5 -1,-0.2 -2,-0.7 -77,-0.1 0.868 85.7 55.3 -60.3 -41.9 -6.4 -0.6 6.7 99 99 A A T 34 S+ 0 0 62 -79,-2.2 -1,-0.2 -80,-0.3 -78,-0.1 0.821 124.1 21.8 -66.1 -31.7 -6.0 -0.3 2.9 100 100 A S T <4 S- 0 0 63 -3,-0.5 -1,-0.2 -80,-0.2 -2,-0.2 0.617 93.6-128.1-110.0 -20.1 -3.8 -3.3 2.5 101 101 A G < + 0 0 46 -4,-2.5 -3,-0.2 1,-0.3 2,-0.1 0.523 63.1 140.9 79.1 5.3 -4.5 -5.3 5.6 102 102 A E - 0 0 76 -5,-0.4 -5,-3.0 -6,-0.1 2,-0.4 -0.443 42.7-144.6 -80.8 152.9 -0.8 -5.5 6.3 103 103 A Q E -L 96 0B 11 -7,-0.2 232,-3.2 -2,-0.1 2,-0.4 -0.951 6.2-157.7-119.6 141.0 0.8 -5.2 9.7 104 104 A Y E -L 95 0B 19 -9,-2.6 -9,-3.1 -2,-0.4 2,-0.5 -0.959 5.0-160.7-119.8 137.1 4.1 -3.4 10.5 105 105 A R E -Lm 94 337B 37 231,-0.7 233,-2.7 -2,-0.4 2,-0.7 -0.929 4.6-168.0-127.9 109.1 6.1 -4.3 13.6 106 106 A F E -Lm 93 338B 1 -13,-3.0 -13,-1.9 -2,-0.5 2,-0.6 -0.860 10.9-168.2-101.8 111.5 8.7 -1.9 14.9 107 107 A V E + m 0 339B 47 231,-2.8 233,-3.1 -2,-0.7 -15,-0.1 -0.890 8.3 177.0-109.3 112.6 10.8 -3.7 17.6 108 108 A M - 0 0 20 -2,-0.6 233,-0.1 231,-0.2 234,-0.1 -0.625 38.5 -80.4-108.0 166.6 13.1 -1.6 19.7 109 109 A P - 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -18,-0.1 -0.221 47.5-107.8 -65.9 158.6 15.3 -2.6 22.6 110 110 A G - 0 0 8 1,-0.2 -98,-0.1 30,-0.1 -100,-0.1 -0.248 50.2 -72.0 -74.0 171.1 13.9 -3.1 26.1 111 111 A A - 0 0 15 -100,-0.5 -1,-0.2 1,-0.1 -22,-0.1 -0.200 60.4 -93.6 -57.8 155.6 14.6 -0.7 29.0 112 112 A A - 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0 0 0 0, 0.0 38,-2.0 0, 0.0 2,-0.1 -0.627 26.4-138.4 -77.2 146.1 16.0 -21.7 17.8 187 187 A N B > -g 224 0A 50 -2,-0.3 4,-2.4 36,-0.2 5,-0.2 -0.270 42.7 -85.4 -79.6-173.1 14.3 -20.9 14.5 188 188 A Q H > S+ 0 0 81 36,-0.6 4,-2.4 2,-0.2 5,-0.1 0.915 130.1 45.4 -65.4 -43.0 16.4 -21.4 11.4 189 189 A K H > S+ 0 0 177 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 114.0 49.8 -65.9 -42.3 18.1 -18.1 11.4 190 190 A E H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.860 110.7 50.0 -64.5 -37.1 18.9 -18.4 15.2 191 191 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.930 109.3 51.8 -66.1 -45.0 20.3 -21.9 14.6 192 192 A S H X>S+ 0 0 21 -4,-2.4 5,-1.7 1,-0.2 4,-0.7 0.908 112.2 45.4 -57.3 -43.7 22.5 -20.7 11.8 193 193 A A H <5S+ 0 0 56 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.891 111.1 54.5 -69.2 -37.7 23.9 -17.9 14.0 194 194 A L H <5S+ 0 0 29 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.931 116.5 34.4 -61.6 -50.6 24.4 -20.3 16.9 195 195 A V H <5S- 0 0 24 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.506 108.6-128.7 -83.5 -3.3 26.5 -22.8 15.0 196 196 A N T <5 + 0 0 143 -4,-0.7 2,-0.3 -5,-0.3 -3,-0.2 0.897 68.7 97.3 56.2 49.3 28.1 -20.0 13.0 197 197 A R S S- 0 0 116 -3,-0.2 3,-2.1 1,-0.1 4,-0.5 -0.744 86.2-112.7-103.7 151.4 22.2 -28.1 2.4 202 202 A P T 3 S+ 0 0 128 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.836 115.8 39.3 -50.6 -43.5 19.1 -30.3 3.0 203 203 A D T 3> S+ 0 0 66 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.407 88.8 97.8 -87.5 2.2 20.5 -32.1 6.1 204 204 A D H <> S+ 0 0 29 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 0.876 80.9 49.7 -62.2 -42.5 22.3 -29.1 7.6 205 205 A V H > S+ 0 0 25 -4,-0.5 4,-2.4 -3,-0.4 -1,-0.2 0.938 113.6 45.8 -62.0 -47.8 19.5 -28.2 10.1 206 206 A R H > S+ 0 0 78 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.929 113.7 48.7 -61.4 -47.1 19.3 -31.7 11.5 207 207 A K H X S+ 0 0 108 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.912 111.7 49.4 -60.1 -44.1 23.0 -32.1 11.7 208 208 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.908 111.7 48.6 -60.9 -44.3 23.4 -28.7 13.5 209 209 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.922 111.8 49.3 -61.5 -44.2 20.6 -29.7 16.0 210 210 A Q H X S+ 0 0 56 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.856 105.6 58.8 -61.2 -37.9 22.3 -33.0 16.6 211 211 A E H X S+ 0 0 90 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.886 105.4 48.6 -60.6 -41.8 25.6 -31.3 17.1 212 212 A I H <>S+ 0 0 7 -4,-1.6 5,-1.4 2,-0.2 6,-1.1 0.882 114.4 45.0 -67.4 -40.4 24.2 -29.2 20.0 213 213 A V H ><5S+ 0 0 12 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.961 113.9 49.3 -67.5 -50.5 22.6 -32.3 21.7 214 214 A N H 3<5S+ 0 0 132 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.826 106.3 56.6 -56.9 -35.3 25.8 -34.4 21.2 215 215 A S T 3<5S- 0 0 72 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.628 113.4-118.7 -74.7 -12.3 28.0 -31.6 22.6 216 216 A G T < 5S+ 0 0 35 -3,-1.5 -36,-2.7 -4,-0.4 -35,-0.2 0.492 80.7 121.4 88.2 5.8 25.9 -31.7 25.8 217 217 A K S - 0 0 10 4,-3.5 3,-2.3 1,-0.4 5,-0.2 -0.079 27.6-127.8-123.4 29.9 10.8 -24.0 10.7 226 226 A G G > S+ 0 0 56 1,-0.3 3,-1.9 3,-0.2 -1,-0.4 -0.357 91.3 1.3 58.0-127.8 7.9 -21.5 10.2 227 227 A P G 3 S+ 0 0 121 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.672 128.7 67.6 -66.9 -14.3 5.3 -23.1 7.9 228 228 A Q G < S- 0 0 112 -3,-2.3 2,-0.5 1,-0.3 -2,-0.2 0.509 101.4-136.9 -82.3 -1.6 7.4 -26.2 7.7 229 229 A G < - 0 0 4 -3,-1.9 -4,-3.5 13,-0.2 2,-0.3 -0.731 37.5 -52.0 89.6-123.8 6.7 -27.0 11.3 230 230 A A E -HI 224 241A 0 11,-2.3 11,-2.6 -2,-0.5 2,-0.5 -0.999 26.8-137.9-156.2 155.3 9.6 -28.1 13.4 231 231 A L E -HI 223 240A 15 -8,-2.6 -8,-2.9 -2,-0.3 2,-0.5 -0.977 23.7-162.6-116.1 120.7 12.4 -30.6 13.8 232 232 A G E -HI 222 239A 0 7,-3.0 7,-2.5 -2,-0.5 2,-0.4 -0.884 5.3-167.5-107.5 132.1 12.9 -32.0 17.3 233 233 A V E +HI 221 238A 2 -12,-2.7 -12,-1.9 -2,-0.5 5,-0.2 -0.965 10.7 168.7-125.7 136.5 16.1 -33.7 18.3 234 234 A D - 0 0 36 3,-3.2 -14,-0.1 -2,-0.4 -20,-0.1 -0.632 53.7 -97.4-122.4-177.2 17.0 -35.9 21.3 235 235 A S S S+ 0 0 90 -16,-0.2 -15,-0.1 -2,-0.2 3,-0.1 0.672 128.5 23.6 -74.2 -16.3 19.9 -38.1 22.3 236 236 A E S S+ 0 0 159 1,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.602 121.8 47.6-122.0 -22.9 17.7 -40.9 21.0 237 237 A N - 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0 0 88 2,-0.0 -3,-3.1 35,-0.0 2,-0.4 -0.979 42.4-171.3-145.2 150.2 -2.8 43.3 2.0 548 238 B C E +A 543 0E 51 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.947 23.3 172.6-137.4 112.2 -2.4 40.0 0.2 549 239 B I E -A 542 0E 26 -7,-2.6 -7,-3.0 -2,-0.4 2,-0.5 -0.974 19.3-157.7-130.3 132.1 1.2 38.7 -0.4 550 240 B Q E -A 541 0E 109 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.886 8.8-169.3-104.6 136.3 2.6 35.5 -1.7 551 241 B V E -A 540 0E 11 -11,-2.5 -11,-2.3 -2,-0.5 -2,-0.0 -0.992 4.2-161.9-123.0 126.5 6.2 34.5 -0.8 552 242 B V - 0 0 80 -2,-0.5 -13,-0.2 -13,-0.2 -14,-0.1 -0.906 20.5-121.0-111.5 135.7 7.8 31.6 -2.7 553 243 B P - 0 0 18 0, 0.0 38,-0.1 0, 0.0 -1,-0.0 -0.228 39.0 -88.2 -67.7 162.6 10.9 29.9 -1.2 554 244 B P - 0 0 22 0, 0.0 2,-2.2 0, 0.0 59,-0.0 -0.333 47.8 -96.5 -68.1 156.9 14.1 29.7 -3.2 555 245 B P S S+ 0 0 122 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 -0.468 76.6 131.9 -79.6 72.2 14.6 26.8 -5.6 556 246 B V - 0 0 96 -2,-2.2 2,-0.1 38,-0.0 42,-0.0 -0.967 62.1-102.7-123.4 139.9 16.6 24.6 -3.3 557 247 B K - 0 0 145 -2,-0.4 2,-0.3 1,-0.1 0, 0.0 -0.338 29.0-126.6 -67.1 138.4 15.8 20.9 -2.8 558 248 B S - 0 0 49 1,-0.2 40,-0.2 -2,-0.1 3,-0.1 -0.675 20.1-173.4 -81.6 135.6 14.0 19.9 0.4 559 249 B Q S S- 0 0 77 38,-3.2 2,-0.3 -2,-0.3 42,-0.2 0.788 76.1 -6.6 -94.3 -39.3 15.8 17.1 2.3 560 250 B S - 0 0 0 37,-1.9 -1,-0.3 40,-0.1 39,-0.3 -0.878 52.8-156.8-161.4 125.8 13.0 16.6 4.9 561 251 B T > + 0 0 61 -2,-0.3 3,-1.9 -3,-0.1 4,-0.3 0.520 53.0 124.5 -84.6 -6.4 9.8 18.6 5.5 562 252 B V T 3 S+ 0 0 13 39,-0.3 37,-0.1 1,-0.3 -2,-0.1 -0.246 79.3 14.0 -54.7 131.0 9.3 17.6 9.1 563 253 B G T 3> S+ 0 0 13 41,-0.1 4,-1.9 1,-0.0 42,-0.3 0.566 86.4 121.1 85.0 0.7 9.1 20.6 11.4 564 254 B A H <> S+ 0 0 23 -3,-1.9 4,-2.4 2,-0.2 5,-0.2 0.924 74.6 49.9 -65.2 -43.8 8.5 23.2 8.6 565 255 B G H > S+ 0 0 30 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.934 112.7 44.4 -61.5 -48.7 5.2 24.3 10.0 566 256 B D H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.876 112.3 53.3 -65.5 -37.1 6.4 24.9 13.5 567 257 B S H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 26,-0.2 0.936 109.9 48.0 -61.7 -47.6 9.6 26.6 12.3 568 258 B M H X S+ 0 0 12 -4,-2.4 4,-2.7 24,-0.2 5,-0.2 0.924 112.0 49.8 -57.8 -45.5 7.5 29.0 10.2 569 259 B V H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.916 110.1 49.5 -63.2 -42.7 5.1 29.7 13.1 570 260 B G H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.921 112.9 48.4 -60.7 -44.0 8.0 30.4 15.5 571 261 B A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.922 112.9 46.3 -60.9 -47.6 9.6 32.8 12.9 572 262 B M H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.884 108.8 56.5 -66.2 -35.5 6.3 34.6 12.3 573 263 B T H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.902 106.3 50.2 -59.7 -44.5 5.7 34.9 16.1 574 264 B L H X S+ 0 0 8 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.888 111.8 47.7 -62.0 -39.8 9.0 36.7 16.5 575 265 B K H <>S+ 0 0 19 -4,-1.8 5,-2.8 2,-0.2 -2,-0.2 0.875 109.7 52.8 -70.8 -35.0 8.1 39.1 13.7 576 266 B L H ><5S+ 0 0 1 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.901 107.0 53.1 -63.2 -38.4 4.7 39.7 15.3 577 267 B A H 3<5S+ 0 0 9 -4,-2.2 -265,-0.6 1,-0.3 -1,-0.2 0.791 109.1 49.2 -65.7 -27.3 6.5 40.5 18.5 578 268 B E T 3<5S- 0 0 96 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.359 113.3-120.6 -91.6 3.4 8.6 43.0 16.7 579 269 B N T < 5 + 0 0 121 -3,-1.4 -3,-0.2 -4,-0.1 -2,-0.1 0.858 51.4 175.3 55.4 39.9 5.5 44.6 15.1 580 270 B A < - 0 0 23 -5,-2.8 -1,-0.1 1,-0.1 2,-0.0 -0.186 34.7 -93.0 -70.0 165.2 6.9 43.8 11.7 581 271 B S > - 0 0 63 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.284 36.8-107.5 -71.0 164.4 5.0 44.4 8.4 582 272 B L H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.930 121.4 50.9 -60.5 -43.9 2.9 41.6 6.9 583 273 B E H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 111.3 46.5 -59.7 -44.8 5.4 41.1 4.1 584 274 B E H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.933 113.1 50.8 -63.6 -44.7 8.4 40.9 6.6 585 275 B M H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.926 113.6 43.1 -57.8 -49.4 6.5 38.5 8.8 586 276 B V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.906 113.2 52.1 -68.6 -39.4 5.6 36.1 5.9 587 277 B R H X S+ 0 0 64 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.919 111.6 46.2 -62.1 -42.4 9.0 36.3 4.4 588 278 B F H X S+ 0 0 29 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.893 112.0 52.9 -69.5 -35.2 10.7 35.4 7.7 589 279 B G H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.922 111.2 44.7 -62.5 -46.8 8.1 32.6 8.1 590 280 B V H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.4 0.907 111.4 55.2 -63.6 -40.6 8.9 31.2 4.7 591 281 B A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.943 114.0 39.1 -57.7 -48.0 12.6 31.6 5.4 592 282 B A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -24,-0.2 0.890 116.1 50.4 -72.6 -40.3 12.4 29.5 8.6 593 283 B G H X S+ 0 0 6 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.942 116.3 41.5 -61.7 -46.0 9.9 27.0 7.3 594 284 B S H X S+ 0 0 21 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.850 109.9 58.3 -72.8 -32.4 12.1 26.3 4.2 595 285 B A H >< S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.4 4,-0.4 0.885 101.4 57.6 -59.6 -37.2 15.2 26.4 6.3 596 286 B A H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.883 98.9 58.9 -60.0 -39.3 13.7 23.6 8.2 597 287 B T H 3< S+ 0 0 21 -4,-1.1 -38,-3.2 1,-0.2 -37,-1.9 0.685 92.1 69.0 -66.6 -15.1 13.4 21.5 5.1 598 288 B L T << S+ 0 0 48 -3,-1.1 2,-0.4 -4,-0.6 -1,-0.2 0.674 90.0 76.6 -75.5 -17.2 17.2 21.7 4.5 599 289 B N S < S- 0 0 24 -3,-1.4 -37,-0.1 -4,-0.4 -39,-0.1 -0.780 85.5-110.4-103.9 140.3 17.9 19.5 7.5 600 290 B Q S > S- 0 0 109 -2,-0.4 3,-1.3 2,-0.1 -40,-0.1 -0.188 75.1 -16.8 -63.3 153.8 17.5 15.7 7.7 601 291 B G T 3 S- 0 0 17 1,-0.2 -39,-0.3 -42,-0.2 -2,-0.1 -0.167 123.5 -19.8 55.5-136.0 14.8 14.1 9.9 602 292 B T T 3 S+ 0 0 26 -41,-0.1 -1,-0.2 -39,-0.1 -2,-0.1 0.374 89.7 132.5 -93.1 2.0 13.1 16.2 12.5 603 293 B R < - 0 0 136 -3,-1.3 -4,-0.3 1,-0.1 3,-0.1 -0.304 47.7-139.1 -59.7 133.8 15.6 19.0 12.9 604 294 B L - 0 0 2 1,-0.2 -40,-0.1 -7,-0.0 -1,-0.1 -0.017 39.1 -53.8 -81.3-170.6 14.1 22.4 12.9 605 295 B C - 0 0 1 -42,-0.3 2,-0.3 -41,-0.1 -1,-0.2 -0.311 49.4-137.7 -66.2 146.6 15.3 25.6 11.2 606 296 B S > - 0 0 31 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.791 16.6-123.2-102.8 152.6 18.8 26.9 11.9 607 297 B H H > S+ 0 0 88 -247,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.934 109.8 47.5 -56.7 -50.5 19.5 30.6 12.4 608 298 B D H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 112.3 47.2 -64.3 -43.9 22.0 30.9 9.6 609 299 B D H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 113.9 48.7 -64.0 -39.2 19.9 29.1 7.0 610 300 B T H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.940 111.2 49.9 -66.7 -44.8 16.9 31.2 7.9 611 301 B Q H X S+ 0 0 113 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.903 110.9 50.3 -58.8 -42.4 18.9 34.4 7.7 612 302 B K H X S+ 0 0 144 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.925 113.7 43.4 -64.9 -44.4 20.3 33.4 4.3 613 303 B I H X S+ 0 0 16 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.896 111.9 54.5 -69.9 -38.3 16.9 32.6 2.8 614 304 B Y H X S+ 0 0 51 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.886 106.5 51.4 -62.5 -38.4 15.4 35.8 4.4 615 305 B A H < S+ 0 0 58 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.896 111.3 48.7 -63.8 -38.4 18.1 37.9 2.7 616 306 B Y H >< S+ 0 0 132 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.905 110.8 49.5 -65.9 -42.6 17.3 36.3 -0.6 617 307 B L H 3< S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.742 107.7 55.0 -70.3 -23.6 13.5 36.8 -0.2 618 308 B S T 3< 0 0 47 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.265 360.0 360.0 -92.5 9.6 14.2 40.5 0.7 619 309 B R < 0 0 122 -3,-1.5 -1,-0.1 -5,-0.1 -4,-0.1 -0.600 360.0 360.0 89.8 360.0 16.1 40.8 -2.6