==== 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 30-DEC-05 2FIQ . COMPND 2 MOLECULE: PUTATIVE TAGATOSE 6-PHOSPHATE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR U.A.RAMAGOPAL,E.FEDOROV,S.C.ALMO,S.K.BURLEY,NEW YORK SGX RES . 1637 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1219 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 174 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.0 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 0.2 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 . 83 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 182 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 701 42.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.7 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 4 1 3 6 9 4 8 4 1 0 1 7 4 6 2 0 4 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 4 12 12 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 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 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 X > 0 0 59 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 129.2 73.0 85.3 55.6 2 2 A K H > + 0 0 59 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.832 360.0 53.3 -70.3 -37.9 71.3 83.0 57.9 3 3 A T H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 109.0 49.3 -68.1 -41.6 69.2 81.1 55.3 4 4 A L H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 113.4 46.8 -62.4 -46.4 72.2 80.3 53.2 5 5 A I H X S+ 0 0 11 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.907 110.4 53.1 -61.6 -42.3 74.1 79.0 56.2 6 6 A A H X S+ 0 0 57 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.905 108.4 50.5 -60.1 -39.9 71.0 77.0 57.3 7 7 A R H <>S+ 0 0 108 -4,-2.6 5,-2.3 2,-0.2 -2,-0.2 0.923 111.0 49.0 -63.3 -41.5 71.0 75.5 53.8 8 8 A H H ><5S+ 0 0 9 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.942 111.2 49.1 -58.4 -48.9 74.6 74.6 54.2 9 9 A K H 3<5S+ 0 0 64 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.743 105.0 58.8 -63.8 -28.0 74.0 73.1 57.7 10 10 A A T 3<5S- 0 0 92 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.427 131.0 -94.3 -81.8 -2.1 71.1 71.0 56.2 11 11 A G T < 5S+ 0 0 68 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.492 77.5 139.4 109.0 5.9 73.6 69.5 53.8 12 12 A E < - 0 0 68 -5,-2.3 2,-1.2 -6,-0.2 -1,-0.3 -0.644 58.1-120.6 -79.7 136.1 73.5 71.6 50.7 13 13 A H + 0 0 39 -2,-0.3 398,-0.9 2,-0.0 2,-0.3 -0.693 64.9 129.3 -76.2 98.6 76.8 72.3 49.0 14 14 A I B +A 410 0A 11 -2,-1.2 2,-0.3 248,-0.2 396,-0.2 -0.975 24.7 164.0-156.2 135.5 76.6 76.1 49.2 15 15 A G - 0 0 3 394,-1.7 2,-0.4 -2,-0.3 253,-0.2 -0.808 29.0-117.7-137.7-177.7 79.0 78.8 50.4 16 16 A I E -b 268 0B 18 251,-3.6 253,-2.6 -2,-0.3 2,-0.6 -0.996 12.2-137.2-132.0 136.9 79.4 82.5 50.0 17 17 A C E -b 269 0B 17 -2,-0.4 2,-0.7 251,-0.2 25,-0.7 -0.818 18.8-150.8 -87.7 122.0 82.3 84.5 48.5 18 18 A S E -bc 270 42B 0 251,-2.9 253,-2.8 -2,-0.6 2,-0.8 -0.864 7.6-146.6 -99.6 112.1 83.1 87.5 50.7 19 19 A V E -bc 271 43B 4 23,-3.0 25,-2.1 -2,-0.7 2,-0.9 -0.662 16.5-176.7 -84.3 105.4 84.4 90.4 48.5 20 20 A C + 0 0 24 251,-3.1 2,-0.4 -2,-0.8 25,-0.1 -0.564 41.0 111.5-103.2 67.4 87.0 92.3 50.6 21 21 A S - 0 0 5 -2,-0.9 23,-0.1 23,-0.2 -2,-0.0 -0.993 49.1-164.6-139.3 144.3 87.9 95.1 48.2 22 22 A A + 0 0 27 -2,-0.4 -1,-0.1 21,-0.0 23,-0.0 0.266 56.0 120.7-102.7 4.4 87.3 98.8 48.3 23 23 A H >> - 0 0 32 1,-0.1 4,-2.3 2,-0.0 3,-0.6 -0.608 61.2-142.8 -76.2 123.9 88.1 99.2 44.6 24 24 A P H 3> S+ 0 0 61 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.843 99.7 50.1 -57.3 -35.9 85.1 100.6 42.7 25 25 A L H 3> S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.826 110.2 50.6 -70.1 -33.3 85.7 98.4 39.6 26 26 A V H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.895 112.1 46.2 -69.3 -42.1 85.9 95.3 41.7 27 27 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.890 112.0 52.2 -66.2 -40.2 82.7 96.1 43.5 28 28 A E H X S+ 0 0 48 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.945 112.0 46.0 -60.0 -48.8 81.1 96.9 40.1 29 29 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.865 109.8 54.0 -61.0 -40.6 82.3 93.5 38.8 30 30 A A H X S+ 0 0 3 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.893 115.8 39.2 -61.0 -38.8 81.1 91.7 41.9 31 31 A L H < S+ 0 0 0 -4,-2.0 3,-0.5 2,-0.2 4,-0.3 0.911 116.7 48.7 -79.4 -46.6 77.6 93.1 41.5 32 32 A A H >< S+ 0 0 25 -4,-2.9 3,-1.1 1,-0.2 4,-0.4 0.851 103.7 62.1 -55.9 -43.0 77.5 92.8 37.7 33 33 A F H 3< S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.3 3,-0.2 0.822 115.5 32.1 -57.8 -33.9 78.6 89.2 37.9 34 34 A D T >< S+ 0 0 10 -4,-0.7 3,-1.8 -3,-0.5 -1,-0.3 0.303 84.2 114.7-104.9 9.3 75.5 88.3 39.9 35 35 A R T < S+ 0 0 115 -3,-1.1 43,-0.2 1,-0.3 -1,-0.1 0.870 86.8 33.5 -46.6 -45.7 73.1 90.8 38.3 36 36 A N T 3 S+ 0 0 139 -4,-0.4 -1,-0.3 -3,-0.2 2,-0.1 0.223 106.9 79.1-103.3 11.9 71.0 88.1 36.7 37 37 A S S < S- 0 0 41 -3,-1.8 -3,-0.1 2,-0.1 -4,-0.0 -0.342 81.0-122.2 -96.0-173.1 71.2 85.4 39.4 38 38 A T + 0 0 137 -2,-0.1 2,-0.1 2,-0.1 -3,-0.1 0.336 70.0 121.6-108.9 6.9 69.3 85.2 42.7 39 39 A R - 0 0 64 -5,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.377 63.1-122.0 -73.8 145.0 72.5 85.1 44.9 40 40 A K - 0 0 77 -2,-0.1 2,-0.5 42,-0.1 42,-0.2 -0.561 23.7-135.9 -73.0 144.1 73.2 87.7 47.6 41 41 A V E - d 0 82B 7 40,-2.6 42,-3.4 -2,-0.2 2,-0.6 -0.947 12.5-153.0-109.7 129.4 76.5 89.6 47.2 42 42 A L E +cd 18 83B 4 -25,-0.7 -23,-3.0 -2,-0.5 2,-0.4 -0.919 15.6 176.1-106.9 118.1 78.7 90.1 50.2 43 43 A I E -cd 19 84B 0 40,-2.3 42,-2.3 -2,-0.6 2,-0.4 -0.985 9.4-170.5-122.1 128.7 81.0 93.1 50.4 44 44 A E E - d 0 85B 0 -25,-2.1 2,-0.3 -2,-0.4 42,-0.2 -0.924 11.5-155.7-126.2 144.3 83.1 93.8 53.5 45 45 A A E - d 0 86B 0 40,-2.5 42,-3.2 -2,-0.4 2,-0.3 -0.844 17.4-131.7-109.9 150.5 85.3 96.6 54.8 46 46 A T E > - d 0 87B 26 -2,-0.3 4,-2.6 40,-0.2 3,-0.3 -0.716 29.4-109.8 -95.4 157.3 88.1 96.3 57.4 47 47 A S T 4 S+ 0 0 0 40,-1.1 8,-0.1 -2,-0.3 41,-0.1 0.756 120.6 53.8 -60.4 -22.8 88.3 98.8 60.3 48 48 A N T 4 S+ 0 0 50 1,-0.1 8,-1.0 7,-0.1 9,-0.3 0.890 109.8 45.1 -74.8 -44.0 91.4 100.3 58.6 49 49 A Q T 4 S+ 0 0 15 -3,-0.3 8,-1.6 1,-0.3 7,-0.6 0.962 130.7 12.4 -62.7 -54.4 89.7 100.9 55.2 50 50 A V B < S+j 59 0C 0 -4,-2.6 -1,-0.3 5,-0.2 2,-0.3 -0.990 75.4 131.0-136.8 127.2 86.6 102.4 56.8 51 51 A N S > S- 0 0 8 8,-0.9 3,-1.7 -2,-0.4 58,-0.1 -0.858 71.5 -69.1-152.9-173.8 85.8 103.6 60.4 52 52 A Q T 3 S+ 0 0 48 1,-0.3 8,-0.1 -2,-0.3 -5,-0.0 0.660 132.4 46.9 -62.6 -18.9 84.4 106.6 62.2 53 53 A F T 3 S- 0 0 137 6,-0.1 -1,-0.3 7,-0.0 7,-0.1 0.410 126.0 -97.3-100.5 -1.9 87.4 108.7 61.2 54 54 A G X>> - 0 0 6 -3,-1.7 4,-1.8 5,-0.3 5,-1.4 0.445 44.1-133.4 99.6 3.5 87.3 107.6 57.5 55 55 A G T 345 - 0 0 35 1,-0.2 -6,-0.3 3,-0.2 -5,-0.2 -0.233 61.4 -48.9 48.9-126.7 90.0 104.9 57.8 56 56 A Y T 345S+ 0 0 95 -8,-1.0 -1,-0.2 -7,-0.6 -7,-0.2 0.446 140.2 61.3-114.1 -3.5 92.4 105.4 54.9 57 57 A T T <45S- 0 0 52 -8,-1.6 -2,-0.2 -3,-0.7 3,-0.1 0.428 107.2-118.9 -94.4 -1.9 89.8 105.6 52.2 58 58 A G T <5S+ 0 0 59 -4,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.713 74.0 129.6 64.9 22.3 88.1 108.7 53.8 59 59 A X B < -j 50 0C 33 -5,-1.4 -8,-0.9 -10,-0.6 -5,-0.3 -0.935 47.6-156.5-114.5 126.1 84.9 106.7 54.2 60 60 A T > - 0 0 42 -2,-0.5 4,-2.8 -10,-0.2 5,-0.2 -0.416 44.1 -99.6 -74.3 165.5 82.8 106.2 57.3 61 61 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.927 129.6 51.5 -53.6 -45.3 80.7 103.1 57.3 62 62 A A H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.897 110.6 49.5 -55.1 -41.8 77.7 105.2 56.2 63 63 A D H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 109.0 51.1 -62.0 -48.7 79.9 106.5 53.3 64 64 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.863 107.3 54.4 -57.9 -41.4 81.0 103.1 52.3 65 65 A R H X S+ 0 0 56 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.929 111.7 42.7 -57.3 -50.1 77.3 101.9 52.2 66 66 A E H X S+ 0 0 85 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.832 111.3 56.7 -69.6 -32.5 76.3 104.7 49.8 67 67 A F H X S+ 0 0 53 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.939 112.3 40.8 -60.9 -49.8 79.4 104.2 47.8 68 68 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.929 114.8 52.8 -65.9 -43.1 78.5 100.5 47.2 69 69 A F H X S+ 0 0 31 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.833 106.1 53.0 -59.5 -39.0 74.8 101.4 46.7 70 70 A A H X S+ 0 0 58 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.880 109.9 48.0 -67.3 -40.6 75.6 104.0 44.0 71 71 A I H X S+ 0 0 24 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.884 111.0 52.4 -62.6 -40.7 77.6 101.4 42.1 72 72 A A H X>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-2.0 0.922 107.0 51.7 -62.2 -47.2 74.7 98.9 42.5 73 73 A D H <5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.858 108.6 51.1 -54.2 -40.2 72.2 101.4 41.0 74 74 A K H <5S+ 0 0 178 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.792 114.3 44.8 -72.1 -26.1 74.5 101.9 38.0 75 75 A V H <5S- 0 0 22 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.764 112.1-115.3 -86.6 -31.2 74.6 98.2 37.5 76 76 A G T <5 + 0 0 39 -4,-2.0 2,-0.6 1,-0.3 -3,-0.2 0.729 65.3 145.4 92.8 30.6 70.9 97.4 38.0 77 77 A F < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.921 53.9-117.5-107.6 116.2 71.6 95.3 41.1 78 78 A A > - 0 0 38 -2,-0.6 3,-1.7 -43,-0.2 4,-0.1 -0.265 15.5-134.9 -55.5 127.4 68.8 95.6 43.8 79 79 A R G > S+ 0 0 100 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.760 102.5 63.5 -55.1 -30.5 70.2 97.1 47.0 80 80 A E G 3 S+ 0 0 147 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.693 91.0 64.3 -71.4 -21.0 68.4 94.4 49.1 81 81 A R G < S+ 0 0 38 -3,-1.7 -40,-2.6 -41,-0.1 2,-0.5 0.392 88.2 97.5 -79.5 4.2 70.5 91.6 47.5 82 82 A I E < -d 41 0B 20 -3,-1.2 2,-0.5 -42,-0.2 -40,-0.2 -0.834 56.2-164.7-102.3 125.8 73.5 93.2 49.1 83 83 A I E -d 42 0B 10 -42,-3.4 -40,-2.3 -2,-0.5 2,-0.4 -0.918 11.3-156.2-101.6 126.2 75.1 92.0 52.4 84 84 A L E -d 43 0B 9 -2,-0.5 36,-1.7 33,-0.4 35,-1.4 -0.885 14.7-170.1-103.4 136.5 77.5 94.5 54.0 85 85 A G E -de 44 120B 0 -42,-2.3 -40,-2.5 -2,-0.4 2,-0.5 -0.891 23.3-140.2-129.8 150.1 80.1 93.3 56.4 86 86 A G E -de 45 121B 0 34,-2.9 36,-2.0 -2,-0.3 2,-0.4 -0.947 22.9-153.1-107.2 129.5 82.7 94.5 58.9 87 87 A D E -d 46 0B 14 -42,-3.2 -40,-1.1 -2,-0.5 37,-0.1 -0.842 69.6 -10.3-106.1 133.0 86.0 92.6 58.9 88 88 A H E S- 0 0 23 -2,-0.4 4,-0.3 1,-0.2 2,-0.3 0.861 79.3-174.2 46.8 48.9 88.3 92.3 62.0 89 89 A L E + e 0 123B 0 33,-2.2 35,-3.2 -3,-0.3 -1,-0.2 -0.595 39.7 77.1 -76.5 134.9 86.3 94.9 64.0 90 90 A G S S- 0 0 0 -2,-0.3 3,-0.4 33,-0.2 35,-0.2 -0.952 102.8 -38.3 152.4-167.9 88.0 95.7 67.3 91 91 A P S > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.207 84.9 130.8 -74.2 16.9 91.1 97.7 68.5 92 92 A N G > S+ 0 0 41 32,-0.3 3,-0.8 -4,-0.3 -3,-0.1 0.805 76.1 29.1 -43.8 -56.7 93.1 96.8 65.4 93 93 A C G 3 S+ 0 0 52 -3,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.311 117.5 58.2 -93.7 9.8 94.4 100.2 64.2 94 94 A W G X S+ 0 0 16 -3,-2.1 3,-1.9 1,-0.1 -1,-0.2 0.091 70.2 120.9-116.5 20.3 94.4 101.7 67.7 95 95 A Q T < + 0 0 68 -3,-0.8 35,-0.4 1,-0.3 -2,-0.1 0.721 65.4 59.9 -51.8 -33.3 96.8 99.0 68.9 96 96 A Q T 3 S+ 0 0 167 33,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.674 95.9 78.9 -76.5 -16.9 99.5 101.5 69.9 97 97 A E S < S- 0 0 61 -3,-1.9 33,-2.4 -6,-0.2 -3,-0.1 -0.375 93.8 -88.5 -85.9 165.1 97.1 103.1 72.4 98 98 A N B > -k 130 0D 90 31,-0.2 4,-2.5 -2,-0.1 3,-0.3 -0.277 44.6 -97.6 -70.3 164.0 96.2 101.8 75.9 99 99 A V H > S+ 0 0 40 31,-0.8 4,-3.0 1,-0.2 5,-0.3 0.878 120.1 51.4 -47.5 -53.2 93.3 99.4 76.4 100 100 A D H > S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.883 114.5 40.9 -55.1 -48.3 90.8 102.1 77.5 101 101 A A H > S+ 0 0 28 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.874 117.0 47.2 -72.9 -41.8 91.4 104.3 74.4 102 102 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.899 114.7 47.2 -66.7 -40.4 91.6 101.5 71.9 103 103 A X H X S+ 0 0 23 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.774 108.5 55.7 -73.5 -27.3 88.4 99.9 73.3 104 104 A E H X S+ 0 0 143 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.904 111.1 43.6 -67.6 -42.9 86.6 103.2 73.3 105 105 A K H X S+ 0 0 62 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.906 112.1 54.0 -69.2 -40.4 87.2 103.7 69.6 106 106 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.850 106.1 52.5 -59.4 -41.3 86.4 100.0 68.9 107 107 A V H X S+ 0 0 27 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.915 112.9 43.6 -60.9 -46.0 83.0 100.4 70.7 108 108 A E H X S+ 0 0 76 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.826 111.6 56.1 -69.4 -32.1 82.2 103.4 68.5 109 109 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.961 109.1 44.6 -58.7 -55.8 83.5 101.6 65.4 110 110 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.881 114.7 50.0 -57.1 -39.7 81.1 98.6 66.0 111 111 A K H X S+ 0 0 47 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.927 108.5 51.9 -66.9 -45.1 78.3 101.1 66.6 112 112 A A H X S+ 0 0 18 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.927 112.9 45.8 -54.1 -48.1 79.1 103.0 63.4 113 113 A Y H <>S+ 0 0 0 -4,-2.6 5,-2.0 2,-0.2 -2,-0.2 0.915 115.1 46.1 -62.3 -44.7 79.0 99.8 61.4 114 114 A V H ><5S+ 0 0 2 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.949 112.1 49.8 -68.4 -47.5 75.8 98.6 63.0 115 115 A R H 3<5S+ 0 0 134 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.831 105.1 59.4 -56.5 -35.9 74.0 101.9 62.7 116 116 A A T 3<5S- 0 0 6 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.395 124.1-103.3 -75.1 1.4 75.0 102.1 59.0 117 117 A G T < 5 + 0 0 39 -3,-2.0 2,-0.5 1,-0.3 -33,-0.4 0.618 66.2 154.2 83.0 14.3 73.1 98.8 58.3 118 118 A F < - 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0 0 4 -4,-1.9 3,-1.7 -5,-0.3 -114,-0.2 -0.340 57.5-134.3 -65.1 139.0 122.7 113.7 7.6 1569 345 D L T 3 S+ 0 0 0 -116,-2.0 -1,-0.1 -117,-0.3 -116,-0.1 0.734 101.4 76.0 -60.6 -26.3 124.2 117.0 6.4 1570 346 D S T 3 S- 0 0 12 1,-0.1 -1,-0.3 -17,-0.0 -2,-0.1 0.761 88.2-153.4 -57.3 -27.0 121.5 117.1 3.7 1571 347 D D X + 0 0 2 -3,-1.7 3,-2.1 -7,-0.2 4,-0.2 0.884 30.6 164.9 60.4 39.7 119.1 118.1 6.6 1572 348 D R G > + 0 0 17 1,-0.3 3,-1.8 -8,-0.2 4,-0.1 0.792 64.7 76.8 -64.5 -22.0 116.0 116.7 4.8 1573 349 D I G >> S+ 0 0 2 -8,-0.3 3,-2.1 1,-0.3 4,-0.7 0.719 74.7 80.7 -54.2 -24.5 114.3 117.0 8.2 1574 350 D R G <4 S+ 0 0 54 -3,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.789 84.3 58.3 -60.1 -27.5 114.0 120.7 7.6 1575 351 D Y G <4 S+ 0 0 50 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.512 102.4 56.2 -76.6 -3.1 111.0 120.1 5.3 1576 352 D Y T X4 S+ 0 0 6 -3,-2.1 3,-2.0 -4,-0.1 6,-0.2 0.652 77.3 88.1-107.0 -16.4 109.1 118.5 8.2 1577 353 D W T 3< S+ 0 0 18 -4,-0.7 -1,-0.1 -3,-0.4 -2,-0.1 0.806 87.2 55.3 -50.6 -39.0 109.2 121.2 10.8 1578 354 D P T 3 S+ 0 0 88 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.618 78.4 114.9 -71.1 -12.7 106.0 122.8 9.5 1579 355 D H S <> S- 0 0 45 -3,-2.0 4,-3.1 1,-0.1 3,-0.3 -0.377 72.3-129.9 -61.2 132.2 104.0 119.5 9.8 1580 356 D S H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.831 105.2 52.4 -58.3 -38.0 101.3 120.1 12.4 1581 357 D R H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 115.3 42.4 -63.9 -41.7 102.1 116.9 14.5 1582 358 D I H > S+ 0 0 1 -3,-0.3 4,-2.8 -6,-0.2 5,-0.2 0.947 114.5 50.1 -68.5 -52.0 105.8 118.0 14.7 1583 359 D K H X S+ 0 0 110 -4,-3.1 4,-2.2 -7,-0.2 -2,-0.2 0.879 113.4 47.0 -46.0 -48.0 104.9 121.6 15.4 1584 360 D N H X S+ 0 0 94 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.889 113.1 46.0 -70.5 -39.9 102.5 120.6 18.2 1585 361 D S H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -50,-0.3 0.900 112.9 51.2 -74.4 -36.0 104.9 118.2 19.9 1586 362 D V H X S+ 0 0 24 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.917 110.7 49.1 -61.5 -41.9 107.7 120.6 19.6 1587 363 D E H X S+ 0 0 123 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.903 110.2 50.0 -64.6 -40.7 105.5 123.3 21.2 1588 364 D T H X S+ 0 0 65 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.930 110.6 51.4 -59.1 -45.1 104.5 121.0 24.0 1589 365 D X H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.899 110.6 47.8 -53.4 -49.1 108.1 120.2 24.6 1590 366 D X H X S+ 0 0 23 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.905 110.7 51.3 -65.4 -43.5 108.9 123.9 24.8 1591 367 D V H X S+ 0 0 82 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.937 112.1 47.3 -55.4 -47.5 106.1 124.6 27.2 1592 368 D N H >< S+ 0 0 31 -4,-2.5 3,-0.8 1,-0.2 4,-0.4 0.954 116.9 42.2 -61.2 -52.3 107.3 121.8 29.5 1593 369 D L H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.828 109.1 57.1 -65.3 -37.3 110.9 122.9 29.4 1594 370 D Q H 3< S+ 0 0 114 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.611 103.4 57.8 -70.0 -14.6 110.1 126.7 29.8 1595 371 D G T << S+ 0 0 68 -3,-0.8 2,-0.3 -4,-0.8 -1,-0.2 0.564 106.0 52.1 -90.7 -13.5 108.3 125.8 33.0 1596 372 D V S < S- 0 0 65 -3,-1.1 2,-0.5 -4,-0.4 -69,-0.0 -0.842 84.9-109.1-121.1 160.2 111.2 124.2 34.7 1597 373 D D - 0 0 160 -2,-0.3 25,-0.1 25,-0.1 -3,-0.1 -0.777 34.0-137.7 -83.4 123.8 114.9 125.1 35.5 1598 374 D I - 0 0 8 23,-0.5 23,-0.1 -2,-0.5 5,-0.1 -0.767 24.9-114.2 -84.3 121.9 117.2 122.9 33.4 1599 375 D P >> - 0 0 27 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.264 16.8-126.1 -57.2 138.9 120.1 121.6 35.4 1600 376 D L H 3> S+ 0 0 30 1,-0.2 4,-2.1 -556,-0.2 3,-0.1 0.863 108.5 59.8 -48.4 -44.7 123.5 123.0 34.4 1601 377 D G H 3> S+ 0 0 0 -558,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.758 101.3 54.3 -62.5 -28.1 125.0 119.5 34.0 1602 378 D X H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 5,-0.4 0.875 107.8 49.5 -74.5 -36.6 122.3 118.6 31.3 1603 379 D I H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 8,-0.4 0.906 110.6 51.0 -62.5 -41.0 123.4 121.7 29.3 1604 380 D S H < S+ 0 0 7 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.896 114.0 44.5 -64.6 -39.4 127.0 120.5 29.7 1605 381 D Q H < S+ 0 0 7 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.919 129.2 21.4 -67.9 -46.5 126.1 117.0 28.4 1606 382 D Y H < S+ 0 0 23 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.734 137.2 25.0-102.9 -25.5 123.8 117.9 25.5 1607 383 D L >X + 0 0 0 -4,-2.4 4,-2.3 -5,-0.4 3,-0.8 -0.458 67.3 163.5-138.0 56.8 124.8 121.5 24.6 1608 384 D P H 3> S+ 0 0 6 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.772 74.9 52.5 -58.0 -33.8 128.4 121.9 25.8 1609 385 D K H 3> S+ 0 0 26 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.861 112.0 47.6 -69.2 -34.8 129.2 125.1 23.8 1610 386 D Q H <> S+ 0 0 1 -3,-0.8 4,-2.0 -7,-0.2 -1,-0.2 0.881 109.1 55.7 -69.8 -37.6 126.1 126.7 25.2 1611 387 D F H X S+ 0 0 12 -4,-2.3 4,-3.0 -8,-0.4 -2,-0.2 0.928 104.4 52.0 -56.7 -47.3 127.2 125.5 28.6 1612 388 D E H X S+ 0 0 71 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.896 110.0 49.4 -57.9 -44.2 130.6 127.3 28.2 1613 389 D R H <>S+ 0 0 45 -4,-1.6 5,-2.8 2,-0.2 6,-0.6 0.793 109.2 51.5 -65.5 -32.9 128.7 130.5 27.4 1614 390 D I H ><5S+ 0 0 28 -4,-2.0 3,-2.4 4,-0.2 -2,-0.2 0.957 107.4 53.8 -65.5 -47.1 126.5 130.1 30.4 1615 391 D Q H 3<5S+ 0 0 34 -4,-3.0 -2,-0.2 1,-0.3 -538,-0.2 0.819 108.5 49.5 -52.7 -36.2 129.6 129.7 32.6 1616 392 D S T 3<5S- 0 0 63 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.339 117.7-113.9 -87.7 3.5 131.0 133.0 31.2 1617 393 D G T < 5S+ 0 0 68 -3,-2.4 -3,-0.2 2,-0.2 -2,-0.1 0.748 87.9 113.5 72.0 29.3 127.7 134.8 31.9 1618 394 D E S - 0 0 77 -2,-1.8 4,-2.1 1,-0.1 3,-0.4 -0.928 60.7-129.5-117.9 123.6 116.7 129.0 28.7 1623 399 D P H > S+ 0 0 6 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.818 105.8 44.7 -43.1 -49.4 115.3 126.9 25.8 1624 400 D H H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 114.1 48.6 -65.9 -44.5 114.8 129.7 23.4 1625 401 D Q H > S+ 0 0 72 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.829 108.3 56.0 -62.0 -33.0 118.2 131.2 24.0 1626 402 D L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.904 109.0 46.2 -69.6 -43.8 119.8 127.8 23.6 1627 403 D I H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.933 111.8 50.3 -60.1 -53.7 118.3 127.4 20.1 1628 404 D X H X S+ 0 0 10 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.934 109.8 52.8 -49.5 -46.5 119.3 130.9 19.0 1629 405 D D H X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.865 105.1 52.6 -64.5 -39.3 122.8 130.3 20.2 1630 406 D K H X S+ 0 0 15 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.932 114.1 43.8 -59.1 -43.8 123.2 127.1 18.2 1631 407 D I H >X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-0.9 0.895 108.0 60.2 -66.9 -41.1 122.1 129.0 15.1 1632 408 D Y H 3X S+ 0 0 44 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.839 95.2 62.1 -52.9 -42.2 124.3 131.9 16.0 1633 409 D D H 3X S+ 0 0 21 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.806 104.8 47.6 -58.5 -32.1 127.5 129.7 15.9 1634 410 D V H XX S+ 0 0 25 -3,-0.9 4,-1.4 -4,-0.7 3,-0.5 0.945 113.4 47.8 -70.3 -49.4 126.8 129.0 12.2 1635 411 D L H 3X S+ 0 0 10 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.806 107.1 57.5 -57.3 -34.1 126.3 132.8 11.6 1636 412 D R H 3X S+ 0 0 55 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.811 103.0 53.0 -67.1 -33.7 129.5 133.6 13.5 1637 413 D A H