==== 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 LYASE (ALDEHYDE) 14-FEB-96 4FUA . COMPND 2 MOLECULE: L-FUCULOSE-1-PHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.K.DREYER,G.E.SCHULZ . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 15.0 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 0 1 0 3 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 3 0 1 3 1 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 0 0 1 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 0 192 0, 0.0 2,-0.5 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 53.7 83.0 28.9 60.8 2 2 A E >> - 0 0 91 1,-0.1 4,-2.2 32,-0.0 3,-0.8 -0.936 360.0-129.0-108.6 128.4 80.7 26.3 62.4 3 3 A R H 3> S+ 0 0 52 -2,-0.5 4,-2.4 1,-0.3 5,-0.1 0.820 109.4 49.8 -43.9 -38.6 77.8 27.7 64.5 4 4 A N H 3> S+ 0 0 88 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.853 108.9 48.6 -72.9 -39.3 78.8 25.5 67.4 5 5 A K H <> S+ 0 0 98 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.817 114.5 48.6 -71.3 -29.4 82.5 26.5 67.4 6 6 A L H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 3,-0.4 0.927 105.3 55.9 -75.8 -45.5 81.5 30.1 67.3 7 7 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.904 106.4 52.6 -52.4 -43.8 78.9 29.9 70.1 8 8 A R H X S+ 0 0 127 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.855 109.6 47.0 -61.6 -40.9 81.6 28.6 72.4 9 9 A Q H X S+ 0 0 90 -4,-1.0 4,-2.8 -3,-0.4 -1,-0.2 0.879 107.5 57.8 -69.3 -40.1 84.1 31.4 71.7 10 10 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.927 110.1 42.7 -57.8 -44.7 81.3 34.0 72.2 11 11 A I H X S+ 0 0 14 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.914 112.1 54.8 -69.4 -39.8 80.6 32.8 75.7 12 12 A D H X S+ 0 0 91 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.913 106.1 52.1 -56.4 -45.5 84.3 32.5 76.4 13 13 A T H X S+ 0 0 10 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.893 108.6 49.9 -58.1 -43.8 84.8 36.1 75.4 14 14 A C H X S+ 0 0 13 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.875 113.9 46.8 -63.2 -37.7 82.0 37.2 77.8 15 15 A L H X S+ 0 0 52 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.866 111.2 50.8 -72.1 -37.4 83.7 35.1 80.5 16 16 A E H X S+ 0 0 55 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.834 106.7 54.4 -69.9 -34.4 87.1 36.6 79.7 17 17 A M H X>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 6,-0.8 0.840 110.9 45.1 -67.8 -36.9 85.8 40.1 79.9 18 18 A T H ><5S+ 0 0 19 -4,-1.3 3,-0.8 4,-0.2 -2,-0.2 0.903 112.4 53.5 -70.6 -38.3 84.4 39.6 83.3 19 19 A R H 3<5S+ 0 0 160 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.826 111.1 45.0 -64.1 -34.5 87.7 37.9 84.2 20 20 A L H 3<5S- 0 0 72 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.538 114.8-112.8 -87.9 -8.3 89.8 40.9 83.0 21 21 A G T <<5S+ 0 0 47 -3,-0.8 75,-0.4 -4,-0.6 -3,-0.2 0.683 84.0 120.8 82.6 21.2 87.5 43.5 84.7 22 22 A L S + 0 0 124 -2,-0.3 3,-0.5 -3,-0.1 2,-0.3 -0.968 49.2 24.6-163.5 150.4 80.3 42.9 84.9 25 25 A G T 3 S- 0 0 44 -2,-0.3 22,-0.4 1,-0.2 -7,-0.0 -0.733 114.7 -40.3 96.5-146.8 76.6 42.4 85.6 26 26 A T T 3 S+ 0 0 109 -2,-0.3 18,-0.4 20,-0.1 -1,-0.2 0.297 106.0 115.6-100.1 7.1 74.1 41.9 82.8 27 27 A A < + 0 0 25 -3,-0.5 65,-0.1 17,-0.1 -2,-0.0 -0.272 50.4 40.1 -74.4 159.5 75.9 44.6 80.7 28 28 A G - 0 0 21 65,-0.1 2,-0.3 63,-0.0 65,-0.2 0.115 53.1-148.4 87.3 157.2 77.7 43.9 77.5 29 29 A N E -A 92 0A 12 63,-1.8 63,-2.0 42,-0.1 2,-0.3 -0.974 4.8-160.3-160.7 151.8 77.1 41.9 74.3 30 30 A V E +A 91 0A 0 -2,-0.3 11,-2.3 61,-0.2 2,-0.3 -0.996 11.2 172.7-141.9 146.6 79.2 40.1 71.8 31 31 A S E -AB 90 40A 0 59,-1.8 59,-2.0 -2,-0.3 2,-0.3 -0.954 16.9-149.5-147.8 161.4 78.7 38.8 68.3 32 32 A V E -AB 89 39A 12 7,-2.1 7,-2.3 -2,-0.3 2,-0.3 -0.935 36.4-101.1-130.5 152.8 80.5 37.3 65.3 33 33 A R E + B 0 38A 79 55,-2.4 2,-0.4 -2,-0.3 5,-0.3 -0.607 48.7 178.5 -73.6 129.3 79.8 37.7 61.6 34 34 A Y E > - B 0 37A 36 3,-1.5 3,-1.1 -2,-0.3 24,-0.1 -0.972 47.8 -47.9-140.6 127.7 78.0 34.5 60.6 35 35 A Q T 3 S- 0 0 135 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 -0.139 120.9 -22.6 47.0-139.9 76.6 33.7 57.1 36 36 A D T 3 S+ 0 0 99 -3,-0.1 -1,-0.3 2,-0.1 23,-0.1 0.790 144.0 16.8 -69.2 -24.2 74.6 36.6 55.9 37 37 A G E < S-B 34 0A 3 -3,-1.1 -3,-1.5 1,-0.1 2,-0.3 0.407 91.2 -92.8-113.7-114.2 74.0 37.9 59.4 38 38 A M E -BC 33 58A 0 20,-1.9 20,-2.1 -5,-0.3 2,-0.5 -0.977 15.9-116.2-166.4 166.0 75.7 37.2 62.8 39 39 A L E +BC 32 57A 0 -7,-2.3 -7,-2.1 -2,-0.3 2,-0.3 -0.966 42.3 177.3-112.3 128.2 75.6 35.2 66.0 40 40 A I E -BC 31 56A 0 16,-2.3 16,-2.4 -2,-0.5 -9,-0.2 -0.983 32.6-100.9-138.8 148.7 75.0 37.4 69.0 41 41 A T - 0 0 6 -11,-2.3 30,-1.5 -2,-0.3 2,-0.2 -0.151 46.7-105.8 -61.7 154.0 74.5 36.9 72.8 42 42 A P B > -H 70 0B 14 0, 0.0 3,-1.0 0, 0.0 2,-0.2 -0.635 38.9 -90.3 -86.8 154.2 71.0 37.0 74.1 43 43 A T T 3 S- 0 0 62 26,-1.4 26,-0.1 -2,-0.2 28,-0.1 -0.384 97.7 -8.9 -66.4 122.9 69.5 39.8 76.0 44 44 A G T 3 S+ 0 0 52 -18,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 0.720 86.9 133.1 65.5 30.6 69.8 39.7 79.8 45 45 A I < - 0 0 66 -3,-1.0 -1,-0.2 -19,-0.1 5,-0.1 -0.955 59.8-114.2-116.4 115.1 71.2 36.2 80.4 46 46 A P >> - 0 0 39 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.089 19.7-122.7 -44.5 136.4 74.2 36.0 82.8 47 47 A Y G >4 S+ 0 0 49 -22,-0.4 3,-0.6 1,-0.3 -32,-0.1 0.776 112.4 60.5 -53.4 -27.6 77.4 34.9 81.2 48 48 A E G 34 S+ 0 0 129 1,-0.2 -1,-0.3 -33,-0.0 -37,-0.0 0.692 106.7 43.6 -74.4 -24.9 77.4 32.0 83.8 49 49 A K G <4 S+ 0 0 150 -3,-1.9 -1,-0.2 2,-0.0 -2,-0.2 0.372 91.1 116.5-102.1 3.9 74.1 30.6 82.6 50 50 A L << + 0 0 23 -3,-0.6 2,-0.3 -4,-0.6 -3,-0.0 -0.461 36.0 172.2 -78.5 143.7 75.0 30.9 78.9 51 51 A T >> - 0 0 47 -2,-0.2 3,-2.9 -40,-0.0 4,-0.9 -0.955 50.0 -97.0-144.3 159.4 75.3 28.0 76.5 52 52 A E T 34 S+ 0 0 73 -2,-0.3 3,-0.2 1,-0.3 -45,-0.1 0.744 121.8 61.9 -47.9 -29.0 75.7 27.5 72.7 53 53 A S T 34 S+ 0 0 81 1,-0.2 -1,-0.3 -46,-0.0 -3,-0.0 0.658 98.7 55.5 -73.1 -20.9 71.9 27.0 72.5 54 54 A H T <4 S+ 0 0 63 -3,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.723 81.2 104.2 -84.7 -25.5 71.3 30.5 73.8 55 55 A I < - 0 0 0 -4,-0.9 2,-0.3 -3,-0.2 -14,-0.2 -0.353 66.6-142.2 -58.7 136.8 73.4 32.2 71.1 56 56 A V E -C 40 0A 0 -16,-2.4 -16,-2.3 13,-0.1 2,-0.5 -0.822 6.2-143.8-108.6 143.5 71.0 33.7 68.6 57 57 A F E -C 39 0A 32 -2,-0.3 8,-1.7 -18,-0.2 2,-0.4 -0.913 14.8-173.0-107.5 130.8 71.3 34.0 64.8 58 58 A I E -CD 38 64A 0 -20,-2.1 -20,-1.9 -2,-0.5 6,-0.2 -0.980 14.8-144.3-120.9 131.0 70.0 37.1 63.0 59 59 A D > - 0 0 32 4,-2.0 3,-1.9 -2,-0.4 -24,-0.1 -0.257 38.1 -80.9 -85.7-174.6 69.9 37.2 59.3 60 60 A G T 3 S+ 0 0 43 1,-0.3 -1,-0.1 2,-0.1 -25,-0.0 0.664 129.6 51.4 -60.4 -19.2 70.6 40.0 56.8 61 61 A N T 3 S- 0 0 119 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.525 122.7-100.8 -96.0 -7.3 67.1 41.3 57.4 62 62 A G S < S+ 0 0 15 -3,-1.9 2,-0.7 1,-0.3 -2,-0.1 0.600 71.2 152.3 96.6 13.0 67.3 41.4 61.1 63 63 A K - 0 0 120 3,-0.0 -4,-2.0 -4,-0.0 2,-0.3 -0.710 27.9-162.2 -83.3 111.5 65.3 38.2 61.5 64 64 A H B -D 58 0A 77 -2,-0.7 -6,-0.2 -6,-0.2 3,-0.1 -0.700 32.9 -94.3 -91.1 145.2 66.3 36.4 64.6 65 65 A E > - 0 0 58 -8,-1.7 3,-1.0 -2,-0.3 -1,-0.1 -0.327 56.0 -88.5 -58.6 141.5 65.5 32.7 64.9 66 66 A E T 3 S+ 0 0 191 1,-0.2 -1,-0.1 -3,-0.0 3,-0.1 0.002 105.2 22.1 -52.9 154.6 62.2 32.1 66.7 67 67 A G T 3 S+ 0 0 89 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.544 103.0 98.8 64.8 10.6 61.8 31.6 70.4 68 68 A K < - 0 0 49 -3,-1.0 -1,-0.1 -11,-0.1 -4,-0.1 -0.990 61.8-146.7-130.4 138.2 65.1 33.5 71.1 69 69 A L - 0 0 120 -2,-0.4 -26,-1.4 -26,-0.1 3,-0.1 -0.906 18.8-148.4-107.6 112.0 65.6 37.1 72.1 70 70 A P B -H 42 0B 13 0, 0.0 -27,-0.1 0, 0.0 -29,-0.1 -0.215 40.3 -69.0 -72.5 165.8 68.8 38.7 70.7 71 71 A S > - 0 0 4 -30,-1.5 3,-2.7 1,-0.2 4,-0.2 -0.305 41.7-123.3 -55.2 137.9 70.8 41.4 72.5 72 72 A S T 3 S+ 0 0 45 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.762 113.0 57.5 -54.5 -24.0 68.9 44.7 72.7 73 73 A E T >> + 0 0 9 1,-0.2 3,-1.6 2,-0.1 4,-0.8 0.377 67.4 116.2 -91.8 9.3 71.9 46.2 71.0 74 74 A W H X> + 0 0 41 -3,-2.7 4,-1.9 1,-0.3 3,-0.8 0.802 69.0 63.5 -50.3 -29.2 71.8 43.9 67.9 75 75 A R H 3> S+ 0 0 79 -3,-0.5 4,-2.3 1,-0.2 -1,-0.3 0.882 102.3 46.9 -65.6 -37.5 71.2 46.9 65.7 76 76 A F H <> S+ 0 0 1 -3,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.534 108.0 55.1 -82.3 -7.3 74.6 48.5 66.5 77 77 A H H < + 0 0 33 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.3 -0.794 62.0 173.6-129.2 89.2 83.8 48.0 59.0 85 85 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.580 82.2 63.5 -68.0 -14.0 83.6 45.1 56.4 86 86 A D T 3 S+ 0 0 67 -3,-0.1 2,-0.4 2,-0.0 -5,-0.1 0.501 88.6 90.7 -87.3 -11.1 87.1 44.1 57.5 87 87 A A < + 0 0 0 -3,-1.8 75,-0.3 -7,-0.2 -3,-0.1 -0.776 42.5 172.1 -95.3 134.8 85.7 43.3 60.9 88 88 A N + 0 0 72 73,-2.0 -55,-2.4 -2,-0.4 2,-0.3 0.452 67.3 44.2-115.6 -5.3 84.3 39.8 61.9 89 89 A A E -AE 32 161A 0 72,-2.0 72,-1.6 -57,-0.2 2,-0.4 -0.998 58.2-164.1-144.6 137.6 83.7 40.3 65.7 90 90 A V E -AE 31 160A 0 -59,-2.0 -59,-1.8 -2,-0.3 2,-0.4 -0.965 5.5-168.9-122.0 136.9 82.2 43.0 67.8 91 91 A V E -AE 30 159A 0 68,-2.6 68,-2.6 -2,-0.4 2,-0.4 -0.982 4.7-176.4-126.6 130.8 82.6 43.3 71.6 92 92 A H E +AE 29 158A 1 -63,-2.0 -63,-1.8 -2,-0.4 2,-0.3 -0.996 13.2 152.3-129.9 133.0 80.6 45.7 73.8 93 93 A N E - E 0 157A 0 64,-2.0 64,-2.5 -2,-0.4 -70,-0.1 -0.950 49.0-122.5-151.3 167.8 81.0 46.3 77.4 94 94 A H + 0 0 74 -2,-0.3 -71,-0.1 62,-0.2 62,-0.1 -0.389 42.6 179.3-108.3 50.8 80.4 48.9 80.2 95 95 A A > - 0 0 0 -73,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.345 32.6-122.5 -56.2 128.5 84.1 48.9 81.3 96 96 A V H > S+ 0 0 101 -75,-0.4 4,-1.5 1,-0.2 5,-0.1 0.792 103.5 38.0 -40.7 -56.8 84.6 51.4 84.2 97 97 A H H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 116.3 50.6 -71.4 -40.4 87.2 53.7 82.8 98 98 A C H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.896 112.9 49.3 -62.0 -40.1 86.0 53.8 79.2 99 99 A T H X S+ 0 0 25 -4,-2.6 4,-1.2 2,-0.2 55,-0.3 0.841 107.8 52.2 -69.5 -35.9 82.5 54.6 80.6 100 100 A A H X S+ 0 0 34 -4,-1.5 4,-1.8 2,-0.2 3,-0.3 0.912 109.3 49.3 -67.7 -43.6 83.7 57.4 82.8 101 101 A V H <>S+ 0 0 1 -4,-2.1 5,-1.5 1,-0.2 4,-0.5 0.894 109.9 53.5 -62.5 -34.9 85.5 59.1 79.9 102 102 A S H <5S+ 0 0 0 -4,-1.5 52,-0.7 1,-0.2 -1,-0.2 0.779 103.8 54.3 -71.5 -26.5 82.3 58.7 78.0 103 103 A I H <5S+ 0 0 94 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.877 108.1 50.1 -71.3 -35.8 80.3 60.5 80.7 104 104 A L T <5S- 0 0 94 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.618 110.4-133.9 -73.8 -11.5 82.8 63.3 80.3 105 105 A N T 5 + 0 0 78 -4,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.928 54.6 141.5 54.8 51.7 82.0 63.1 76.6 106 106 A R < - 0 0 86 -5,-1.5 -1,-0.2 18,-0.1 2,-0.2 -0.892 53.2-127.3-121.8 148.7 85.7 63.2 75.5 107 107 A S - 0 0 60 -2,-0.3 18,-0.0 18,-0.1 43,-0.0 -0.576 36.0-114.8 -82.0 156.1 87.6 61.5 72.8 108 108 A I B -I 123 0C 0 15,-2.6 15,-1.5 -2,-0.2 70,-0.1 -0.894 39.0-147.6 -95.1 122.6 90.7 59.8 74.2 109 109 A P - 0 0 34 0, 0.0 2,-2.4 0, 0.0 3,-0.3 -0.135 33.0 -72.0 -80.5-177.8 93.8 61.6 72.7 110 110 A A S S+ 0 0 6 11,-0.3 84,-3.2 1,-0.2 12,-0.1 -0.337 74.3 136.0 -74.1 60.7 97.3 60.4 71.8 111 111 A I S S+ 0 0 34 -2,-2.4 2,-0.3 82,-0.2 -1,-0.2 0.680 73.4 24.4 -83.4 -15.3 98.6 60.0 75.3 112 112 A H S > S- 0 0 69 -3,-0.3 3,-1.7 82,-0.1 4,-0.2 -0.987 79.7-119.9-147.2 148.2 100.3 56.7 74.5 113 113 A Y G > S+ 0 0 120 -2,-0.3 3,-1.3 1,-0.3 4,-0.1 0.687 106.5 73.1 -64.9 -16.5 101.6 55.2 71.3 114 114 A M G > S+ 0 0 30 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.543 71.2 86.1 -74.0 -9.2 99.2 52.3 71.6 115 115 A I G X >S+ 0 0 1 -3,-1.7 3,-1.8 1,-0.3 5,-0.7 0.808 76.8 70.5 -58.2 -28.2 96.3 54.6 70.7 116 116 A A G X 5S+ 0 0 3 -3,-1.3 3,-1.8 1,-0.3 -1,-0.3 0.659 77.9 79.3 -63.2 -17.2 97.4 53.7 67.1 117 117 A A G < 5S+ 0 0 8 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.796 87.5 55.6 -62.3 -30.4 96.0 50.2 67.9 118 118 A A G < 5S- 0 0 2 -3,-1.8 30,-2.4 -4,-0.3 31,-0.4 0.348 128.4 -96.9 -84.2 7.1 92.4 51.6 67.3 119 119 A G T < 5S+ 0 0 32 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.450 91.3 22.6 96.6 0.7 93.5 52.8 63.8 120 120 A G S - 0 0 77 -2,-0.3 3,-1.1 1,-0.1 6,-0.3 -0.245 61.7 -98.4 -49.5 137.7 68.7 55.5 74.0 131 131 A F T 3 S+ 0 0 125 1,-0.3 3,-0.1 5,-0.1 -1,-0.1 -0.201 107.5 20.7 -58.5 151.2 70.2 52.0 74.2 132 132 A G T 3 S+ 0 0 25 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.700 97.7 134.4 60.2 26.2 68.9 49.5 71.7 133 133 A T <> - 0 0 44 -3,-1.1 4,-0.9 -4,-0.1 -1,-0.2 -0.684 64.4-130.6-106.7 152.6 67.7 52.3 69.5 134 134 A R H > S+ 0 0 110 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.816 110.1 57.3 -70.8 -31.2 68.2 52.7 65.7 135 135 A E H > S+ 0 0 106 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.800 101.5 56.6 -68.7 -27.6 69.5 56.3 66.2 136 136 A L H > S+ 0 0 5 -6,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.825 103.2 55.9 -69.5 -34.7 72.2 54.8 68.5 137 137 A S H X S+ 0 0 6 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.875 103.5 52.5 -64.3 -41.4 73.2 52.6 65.5 138 138 A E H X S+ 0 0 122 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.884 109.1 51.6 -62.8 -38.0 73.6 55.7 63.3 139 139 A H H X S+ 0 0 48 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.945 113.6 40.8 -65.4 -49.1 75.9 57.2 65.9 140 140 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 3,-0.3 0.955 112.3 55.5 -67.2 -45.7 78.3 54.1 66.3 141 141 A A H < S+ 0 0 18 -4,-2.5 4,-0.4 1,-0.3 -1,-0.2 0.884 109.9 47.6 -51.0 -44.9 78.3 53.4 62.5 142 142 A L H >< S+ 0 0 119 -4,-1.8 3,-0.5 -5,-0.2 4,-0.4 0.861 112.5 48.4 -65.9 -36.8 79.5 56.9 61.9 143 143 A A H 3< S+ 0 0 15 -4,-1.7 3,-0.4 -3,-0.3 -2,-0.2 0.817 109.6 51.7 -73.8 -32.0 82.2 56.7 64.6 144 144 A L T 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.429 81.2 93.5 -85.4 -3.0 83.6 53.3 63.4 145 145 A K S < S+ 0 0 128 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.942 108.4 12.2 -56.1 -46.1 84.0 54.4 59.8 146 146 A N S S+ 0 0 104 -3,-0.4 2,-0.3 -4,-0.4 -1,-0.2 0.224 126.7 58.4-117.7 12.5 87.6 55.4 60.5 147 147 A R - 0 0 28 -4,-0.2 -28,-0.2 -27,-0.1 -24,-0.1 -0.983 64.3-143.5-139.8 149.2 88.2 53.8 63.9 148 148 A K S S+ 0 0 48 -30,-2.4 12,-2.6 -2,-0.3 2,-0.3 0.527 88.5 35.9 -86.8 -12.0 88.0 50.2 65.2 149 149 A A E - G 0 159A 0 -31,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.992 61.8-179.0-143.3 147.7 86.7 51.3 68.6 150 150 A T E - G 0 158A 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.2 -0.992 22.6-132.1-147.3 144.6 84.4 53.9 69.9 151 151 A L E -fG 125 157A 0 -27,-2.5 -25,-2.7 -2,-0.3 2,-0.5 -0.589 22.7-135.2 -87.0 159.3 83.1 55.0 73.3 152 152 A L E >> -fG 126 156A 3 4,-2.6 3,-2.2 -2,-0.2 4,-1.1 -0.986 28.5-109.5-119.7 117.8 79.4 55.6 73.7 153 153 A Q T 34 S- 0 0 39 -27,-2.9 -24,-0.3 -2,-0.5 -50,-0.2 -0.243 98.1 -5.3 -51.3 131.0 78.4 58.7 75.6 154 154 A H T 34 S+ 0 0 107 -52,-0.7 -1,-0.3 -55,-0.3 -51,-0.1 0.776 134.2 65.5 56.0 26.7 76.9 58.0 79.0 155 155 A H T <4 S- 0 0 20 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.518 91.5 -95.6-137.8 -71.7 77.1 54.3 78.1 156 156 A G E < - G 0 152A 0 -4,-1.1 -4,-2.6 -58,-0.1 2,-0.3 -0.862 43.8 -51.1 179.2-139.2 80.2 52.3 77.5 157 157 A L E -EG 93 151A 0 -64,-2.5 -64,-2.0 -6,-0.3 2,-0.4 -0.971 27.4-167.0-137.0 145.0 82.6 51.0 74.8 158 158 A I E +EG 92 150A 0 -8,-2.6 -8,-2.5 -2,-0.3 2,-0.4 -0.990 13.4 174.2-134.6 122.4 82.4 49.1 71.6 159 159 A A E -EG 91 149A 0 -68,-2.6 -68,-2.6 -2,-0.4 2,-0.3 -0.997 4.6-175.1-129.6 140.1 85.4 47.5 69.8 160 160 A C E +E 90 0A 0 -12,-2.6 2,-0.2 -2,-0.4 -70,-0.2 -0.975 10.1 154.2-138.2 147.7 85.6 45.3 66.7 161 161 A E E -E 89 0A 15 -72,-1.6 -73,-2.0 -2,-0.3 -72,-2.0 -0.806 59.1 -68.0-149.2-168.7 88.4 43.4 64.9 162 162 A V S S+ 0 0 53 -75,-0.3 2,-0.3 -2,-0.2 -72,-0.1 0.632 112.0 1.0 -68.6 -19.5 89.0 40.5 62.6 163 163 A N S > S- 0 0 66 -74,-0.2 4,-1.8 1,-0.0 3,-0.3 -0.972 82.7 -92.3-161.3 166.1 88.2 37.9 65.2 164 164 A L H > S+ 0 0 4 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.776 119.0 49.5 -55.1 -36.3 87.0 37.7 68.9 165 165 A E H > S+ 0 0 151 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.880 113.9 44.9 -76.5 -33.5 90.4 37.5 70.5 166 166 A K H > S+ 0 0 105 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.782 114.5 51.3 -75.3 -25.7 91.7 40.5 68.6 167 167 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.854 112.7 44.9 -75.7 -37.3 88.4 42.3 69.4 168 168 A L H X S+ 0 0 20 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.886 111.9 52.3 -72.8 -42.3 88.9 41.4 73.1 169 169 A W H X S+ 0 0 109 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.947 111.3 47.2 -57.4 -50.9 92.5 42.4 73.1 170 170 A L H X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.900 110.9 50.2 -58.1 -48.5 91.6 45.8 71.6 171 171 A A H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.886 112.5 49.3 -58.9 -37.8 88.7 46.4 74.1 172 172 A H H X S+ 0 0 61 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.853 108.1 52.5 -68.7 -39.6 91.2 45.6 76.9 173 173 A E H X S+ 0 0 38 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.857 106.0 54.2 -63.5 -39.1 93.8 47.9 75.5 174 174 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.819 103.3 56.2 -69.1 -28.0 91.2 50.8 75.4 175 175 A E H X S+ 0 0 12 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.837 108.5 48.5 -68.8 -37.6 90.4 50.2 79.1 176 176 A V H X S+ 0 0 54 -4,-1.2 4,-2.1 2,-0.2 5,-0.2 0.968 113.2 46.0 -65.4 -53.3 94.1 50.8 79.8 177 177 A L H X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.852 112.9 50.6 -57.1 -40.4 94.2 54.0 77.6 178 178 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.857 111.3 48.9 -67.1 -34.2 91.0 55.2 79.3 179 179 A Q H X S+ 0 0 89 -4,-1.6 4,-1.7 -3,-0.2 -2,-0.2 0.826 109.5 50.4 -73.6 -33.4 92.5 54.6 82.7 180 180 A L H X S+ 0 0 70 -4,-2.1 4,-1.7 2,-0.2 5,-0.2 0.847 112.3 50.5 -70.3 -34.3 95.8 56.4 81.8 181 181 A Y H X S+ 0 0 17 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.947 110.7 44.9 -68.5 -53.4 93.7 59.3 80.6 182 182 A L H X S+ 0 0 39 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.862 114.0 51.3 -60.0 -38.2 91.5 59.6 83.8 183 183 A T H < S+ 0 0 82 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.886 116.3 37.8 -67.9 -42.9 94.5 59.3 86.1 184 184 A T H >X S+ 0 0 54 -4,-1.7 4,-2.7 1,-0.2 3,-0.8 0.853 111.5 59.2 -80.4 -29.1 96.6 62.0 84.4 185 185 A L H 3< S+ 0 0 22 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.720 99.3 58.5 -70.8 -23.4 93.6 64.3 83.7 186 186 A A T 3< S+ 0 0 89 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.758 116.2 35.2 -76.1 -24.3 92.9 64.5 87.4 187 187 A I T <4 S+ 0 0 135 -3,-0.8 2,-0.3 -4,-0.4 -2,-0.2 0.749 131.4 15.7 -98.6 -30.3 96.4 65.9 87.9 188 188 A T < - 0 0 75 -4,-2.7 -1,-0.3 4,-0.0 3,-0.1 -0.990 65.1-137.1-151.3 143.4 96.7 67.9 84.7 189 189 A D S S+ 0 0 98 -2,-0.3 2,-0.1 1,-0.3 -4,-0.0 -0.961 93.3 32.0-145.9 117.1 94.5 69.3 82.0 190 190 A P S S- 0 0 106 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.471 90.6-142.7 -76.6 153.3 95.4 69.1 79.1 191 191 A V - 0 0 15 -2,-0.1 -6,-0.1 1,-0.1 -2,-0.1 -0.648 30.5 -99.9 -82.1 133.4 97.2 65.9 79.4 192 192 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.196 45.3-166.6 -53.0 142.6 100.4 65.8 77.2 193 193 A V - 0 0 82 -3,-0.1 2,-0.2 -82,-0.0 -82,-0.2 -0.867 24.6-108.1-132.2 160.4 100.1 64.0 73.9 194 194 A L - 0 0 60 -84,-3.2 -84,-0.2 -2,-0.3 -82,-0.1 -0.642 49.4-102.3 -81.9 152.5 102.3 62.6 71.2 195 195 A S > - 0 0 69 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.312 23.4-114.2 -73.5 160.7 102.2 64.6 68.0 196 196 A D H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.820 118.3 57.2 -63.5 -31.7 100.2 63.5 65.0 197 197 A E H > S+ 0 0 157 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.962 107.3 47.4 -63.8 -47.3 103.4 63.1 63.1 198 198 A E H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.907 110.4 51.8 -59.4 -45.1 104.7 60.7 65.7 199 199 A I H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.906 105.8 56.4 -60.0 -36.2 101.4 58.8 65.6 200 200 A A H X S+ 0 0 49 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.942 108.0 47.4 -58.8 -48.4 101.8 58.6 61.8 201 201 A V H X S+ 0 0 69 -4,-2.1 4,-2.0 1,-0.2 3,-0.5 0.918 111.8 49.8 -57.1 -49.4 105.2 56.9 62.3 202 202 A V H X S+ 0 0 16 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.849 108.4 53.3 -61.0 -36.3 103.9 54.5 64.9 203 203 A L H < S+ 0 0 63 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.799 106.9 53.3 -69.8 -26.7 101.0 53.6 62.6 204 204 A E H < S+ 0 0 165 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.907 108.6 48.3 -72.5 -39.8 103.7 52.8 59.9 205 205 A K H < 0 0 181 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.685 360.0 360.0 -72.9 -18.7 105.5 50.5 62.3 206 206 A F < 0 0 121 -4,-1.2 -3,-0.0 -5,-0.2 -89,-0.0 -0.469 360.0 360.0 -76.0 360.0 102.3 48.7 63.2