==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-NOV-10 3PKX . COMPND 2 MOLECULE: TOXOFLAVIN LYASE (TFLA); . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS POLYMYXA; . AUTHOR M.K.FENWICK,B.PHILMUS,T.P.BEGLEY,S.E.EALICK . 219 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 27 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 1 2 3 1 1 1 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 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 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 3 A S 0 0 44 0, 0.0 203,-3.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 164.9 15.1 54.4 39.1 2 4 A I E +A 203 0A 0 132,-0.4 132,-0.3 201,-0.2 201,-0.3 -0.747 360.0 177.3 -85.1 116.0 18.8 53.5 39.8 3 5 A K E S+ 0 0 100 199,-2.5 40,-2.0 -2,-0.7 2,-0.4 0.910 71.2 13.4 -80.9 -46.7 19.7 50.3 38.0 4 6 A Q E -Ab 202 43A 24 198,-2.0 198,-3.2 38,-0.2 2,-0.4 -0.996 60.4-176.4-137.9 133.0 23.3 50.2 39.0 5 7 A L E -Ab 201 44A 0 38,-2.3 40,-3.0 -2,-0.4 2,-0.5 -0.998 10.0-158.6-128.6 129.0 25.3 52.2 41.6 6 8 A T E +Ab 200 45A 7 194,-2.9 194,-1.7 -2,-0.4 2,-0.3 -0.941 19.6 168.2-111.7 121.3 29.1 51.8 42.0 7 9 A L E - b 0 46A 0 38,-2.8 40,-2.9 -2,-0.5 2,-0.3 -0.838 26.1-125.6-126.5 162.1 30.7 52.9 45.3 8 10 A Y E - b 0 47A 58 190,-0.4 2,-0.3 -2,-0.3 40,-0.2 -0.802 21.8-175.9-111.6 152.0 34.1 52.5 47.0 9 11 A T E - b 0 48A 1 38,-2.4 40,-2.5 -2,-0.3 3,-0.4 -0.990 27.8-157.3-148.0 139.1 34.9 51.0 50.4 10 12 A A S S+ 0 0 47 45,-0.4 3,-0.1 -2,-0.3 38,-0.1 0.330 96.2 59.3 -90.9 4.5 38.1 50.6 52.5 11 13 A E > + 0 0 75 1,-0.1 4,-2.9 2,-0.1 5,-0.3 -0.337 59.5 151.6-126.9 50.6 36.5 47.8 54.4 12 14 A L H > S+ 0 0 35 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.889 73.7 46.4 -52.9 -48.4 35.6 45.3 51.7 13 15 A D H > S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 116.3 42.7 -61.2 -51.8 35.9 42.2 53.9 14 16 A R H > S+ 0 0 140 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.859 115.4 51.5 -63.4 -36.2 33.8 43.6 56.8 15 17 A M H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.931 107.7 51.0 -67.3 -44.7 31.3 45.0 54.3 16 18 A L H X S+ 0 0 28 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.926 113.6 45.2 -57.4 -45.2 30.9 41.7 52.5 17 19 A A H X S+ 0 0 62 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.931 112.6 51.9 -63.1 -46.5 30.2 40.0 55.8 18 20 A F H X S+ 0 0 32 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.932 115.1 39.9 -57.0 -50.3 27.8 42.7 57.0 19 21 A Y H X>S+ 0 0 6 -4,-2.8 4,-2.9 2,-0.2 5,-0.6 0.844 112.0 55.9 -74.4 -31.9 25.7 42.7 53.8 20 22 A T H X5S+ 0 0 51 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.930 113.1 42.8 -61.9 -42.9 25.7 38.9 53.5 21 23 A N H <5S+ 0 0 117 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.910 118.9 43.9 -70.4 -42.1 24.4 38.6 57.0 22 24 A M H <5S+ 0 0 8 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.942 129.6 21.5 -65.2 -50.5 21.8 41.5 56.5 23 25 A L H <5S- 0 0 5 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.696 107.2-115.7 -98.7 -22.7 20.5 40.5 53.1 24 26 A G ><< - 0 0 20 -4,-1.7 3,-2.1 -5,-0.6 4,-0.5 0.081 32.4 -81.0 94.1 150.2 21.3 36.9 52.8 25 27 A A G > S+ 0 0 74 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.746 122.6 68.4 -57.2 -26.7 23.6 35.1 50.3 26 28 A Q G 3 S+ 0 0 127 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.573 107.2 37.8 -74.0 -8.3 21.0 35.2 47.6 27 29 A H G < S+ 0 0 45 -3,-2.1 11,-2.2 -7,-0.1 2,-0.5 0.362 109.4 70.8-116.3 -1.3 21.2 39.0 47.3 28 30 A V E < -C 37 0A 15 -3,-0.8 2,-0.5 -4,-0.5 9,-0.2 -0.972 57.6-173.6-127.8 124.4 25.0 39.3 47.8 29 31 A H E -C 36 0A 116 7,-2.2 7,-2.4 -2,-0.5 2,-0.3 -0.951 16.3-142.9-125.9 119.2 27.6 38.3 45.3 30 32 A E E +C 35 0A 127 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.590 29.1 168.8 -76.2 132.2 31.4 38.3 45.9 31 33 A Q - 0 0 75 3,-2.7 2,-0.8 -2,-0.3 3,-0.4 -0.421 48.7 -56.1-121.4-160.4 33.4 39.3 42.9 32 34 A A S S- 0 0 86 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.791 117.4 -22.9 -90.0 112.6 37.1 40.2 42.3 33 35 A D S S+ 0 0 127 -2,-0.8 15,-1.8 1,-0.2 2,-0.3 0.798 137.5 56.6 58.5 29.8 38.1 43.0 44.6 34 36 A A E - D 0 47A 5 -3,-0.4 -3,-2.7 13,-0.2 2,-0.3 -0.958 63.4-158.0-169.8 166.3 34.4 44.0 44.8 35 37 A F E -CD 30 46A 1 11,-1.8 11,-2.9 -2,-0.3 2,-0.3 -0.971 13.5-135.3-152.2 158.3 31.0 42.5 45.6 36 38 A T E -CD 29 45A 11 -7,-2.4 -7,-2.2 -2,-0.3 2,-0.4 -0.846 8.1-161.8-112.7 153.2 27.4 43.4 44.7 37 39 A I E -CD 28 44A 2 7,-2.4 7,-2.3 -2,-0.3 2,-0.6 -0.990 14.2-140.7-127.0 143.2 24.2 43.7 46.7 38 40 A Q E - D 0 43A 67 -11,-2.2 2,-0.6 -2,-0.4 5,-0.2 -0.911 16.0-177.7-106.6 123.7 20.7 43.6 45.2 39 41 A L E > - D 0 42A 2 3,-3.9 3,-2.1 -2,-0.6 2,-0.3 -0.807 61.8 -74.6-118.8 84.8 18.2 46.0 46.6 40 42 A G T 3 S- 0 0 38 -2,-0.6 93,-0.3 1,-0.3 92,-0.2 -0.468 117.0 -7.7 61.0-119.3 15.0 45.2 44.7 41 43 A V T 3 S+ 0 0 91 91,-2.2 2,-0.4 -2,-0.3 -1,-0.3 0.346 126.2 81.6 -89.6 6.2 15.4 46.7 41.3 42 44 A S E < - D 0 39A 0 -3,-2.1 -3,-3.9 90,-0.1 2,-0.4 -0.933 59.8-162.2-116.2 137.3 18.7 48.4 42.3 43 45 A Q E -bD 4 38A 58 -40,-2.0 -38,-2.3 -2,-0.4 2,-0.5 -0.929 0.7-162.6-114.3 139.3 22.2 47.0 42.4 44 46 A I E -bD 5 37A 1 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.6 -0.988 3.3-160.0-117.6 129.2 25.1 48.4 44.3 45 47 A Q E -bD 6 36A 31 -40,-3.0 -38,-2.8 -2,-0.5 2,-0.6 -0.948 7.4-156.8-103.9 122.7 28.7 47.3 43.5 46 48 A F E -bD 7 35A 0 -11,-2.9 -11,-1.8 -2,-0.6 2,-0.3 -0.910 13.9-169.9 -97.7 122.8 31.2 48.0 46.3 47 49 A R E -bD 8 34A 95 -40,-2.9 -38,-2.4 -2,-0.6 -13,-0.2 -0.815 33.3 -87.4-109.9 153.8 34.8 48.2 45.0 48 50 A A E -b 9 0A 50 -15,-1.8 -38,-0.2 -2,-0.3 2,-0.1 -0.318 46.9-128.5 -58.0 132.3 38.0 48.4 47.0 49 51 A A - 0 0 16 -40,-2.5 -1,-0.1 1,-0.1 3,-0.1 -0.421 27.5 -92.9 -79.5 157.6 38.9 52.0 47.9 50 52 A A > - 0 0 66 1,-0.1 3,-1.4 -2,-0.1 -1,-0.1 -0.405 52.6 -94.9 -61.5 143.8 42.3 53.5 47.2 51 53 A D T 3 S+ 0 0 162 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.311 112.7 33.5 -56.2 146.7 44.7 53.3 50.1 52 54 A G T 3 S+ 0 0 91 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.509 103.8 96.4 81.7 3.4 44.7 56.3 52.3 53 55 A T < - 0 0 52 -3,-1.4 -1,-0.3 2,-0.0 -4,-0.1 -0.934 51.7-166.5-125.0 152.1 41.0 56.9 51.7 54 56 A K - 0 0 165 -2,-0.3 -3,-0.1 -3,-0.1 -45,-0.0 -0.587 22.2-164.9-132.6 70.8 37.9 55.9 53.7 55 57 A P + 0 0 3 0, 0.0 -45,-0.4 0, 0.0 2,-0.3 -0.231 14.8 165.0 -62.7 142.0 34.9 56.5 51.4 56 58 A F - 0 0 9 139,-0.2 2,-0.3 51,-0.1 139,-0.2 -0.966 9.1-176.4-149.3 164.6 31.4 56.6 52.7 57 59 A Y - 0 0 2 -2,-0.3 52,-2.4 137,-0.1 2,-0.5 -0.871 31.5-105.5-147.4 171.7 28.0 57.8 51.3 58 60 A H E +g 109 0B 10 -2,-0.3 80,-1.2 50,-0.2 2,-0.5 -0.967 38.6 179.2-110.4 120.2 24.4 58.2 52.3 59 61 A I E -gH 110 137B 2 50,-2.1 52,-2.7 -2,-0.5 2,-0.4 -0.983 10.5-165.1-123.3 124.2 22.2 55.6 50.8 60 62 A A E -gH 111 136B 0 76,-2.2 75,-2.6 -2,-0.5 76,-1.7 -0.926 8.1-153.2-108.2 140.9 18.4 55.4 51.4 61 63 A I E -gH 112 134B 8 50,-2.9 52,-2.4 -2,-0.4 73,-0.2 -0.949 17.0-126.0-115.0 122.0 16.5 52.2 50.4 62 64 A N E +gH 113 133B 2 71,-2.4 70,-2.6 -2,-0.5 71,-0.7 -0.447 30.7 179.0 -64.2 132.1 12.8 52.4 49.5 63 65 A I E -g 114 0B 0 50,-2.4 52,-0.6 68,-0.2 68,-0.1 -0.887 38.4 -75.7-127.0 165.9 10.5 50.1 51.5 64 66 A A > - 0 0 0 66,-0.4 3,-1.7 -2,-0.3 57,-0.2 -0.150 40.0-113.3 -61.1 155.4 6.7 49.7 51.3 65 67 A A T 3 S+ 0 0 7 55,-2.3 3,-0.4 1,-0.3 56,-0.2 0.807 117.6 41.4 -55.4 -34.9 4.3 52.3 52.7 66 68 A N T 3 S+ 0 0 63 54,-0.5 -1,-0.3 1,-0.2 4,-0.2 0.346 100.2 75.2 -98.2 8.3 3.1 49.8 55.3 67 69 A H <> + 0 0 0 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.285 59.1 104.7-106.2 10.1 6.4 48.3 56.2 68 70 A F H > S+ 0 0 13 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.924 80.1 45.5 -65.7 -48.0 8.1 50.9 58.3 69 71 A Q H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 118.3 43.9 -65.7 -41.3 7.8 49.5 61.8 70 72 A E H > S+ 0 0 81 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 113.8 52.2 -62.6 -39.6 8.9 46.0 60.7 71 73 A G H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.921 109.9 48.1 -62.5 -45.6 11.7 47.7 58.6 72 74 A K H X S+ 0 0 25 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.901 113.0 47.7 -61.9 -42.5 12.9 49.6 61.6 73 75 A A H < S+ 0 0 63 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.919 113.9 47.9 -65.3 -41.8 12.8 46.5 63.8 74 76 A W H >< S+ 0 0 46 -4,-2.6 3,-1.7 1,-0.2 4,-0.3 0.942 110.3 50.5 -61.7 -50.7 14.7 44.5 61.2 75 77 A L H >< S+ 0 0 1 -4,-3.1 3,-2.1 1,-0.3 4,-0.5 0.880 101.5 63.7 -58.6 -36.9 17.3 47.2 60.6 76 78 A S T 3< S+ 0 0 59 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.664 90.0 68.3 -64.2 -15.1 17.9 47.4 64.4 77 79 A G T < S+ 0 0 62 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.602 100.4 48.2 -77.4 -10.3 19.2 43.8 64.3 78 80 A F S < S- 0 0 48 -3,-2.1 2,-0.3 1,-0.4 -1,-0.2 0.523 127.2 -23.1-111.5 -7.8 22.2 44.8 62.3 79 81 A G S S- 0 0 28 -4,-0.5 -1,-0.4 -3,-0.3 2,-0.2 -0.912 83.3 -64.0 173.7 165.7 23.4 47.8 64.4 80 82 A E - 0 0 174 -2,-0.3 23,-0.4 -3,-0.1 2,-0.1 -0.480 60.6-110.7 -64.8 130.6 22.3 50.4 66.8 81 83 A L - 0 0 18 -2,-0.2 21,-0.2 21,-0.1 -1,-0.1 -0.396 33.6-119.3 -60.5 137.1 19.8 52.7 65.2 82 84 A L - 0 0 29 19,-2.6 19,-0.4 6,-0.1 2,-0.3 -0.405 30.2-153.1 -71.7 155.7 21.2 56.2 64.6 83 85 A T - 0 0 73 106,-0.3 2,-0.4 -2,-0.1 5,-0.2 -0.939 15.3-166.2-131.1 155.5 19.5 59.1 66.3 84 86 A E B > S-M 87 0C 50 3,-1.9 3,-1.8 -2,-0.3 5,-0.2 -0.982 84.4 -3.3-139.1 128.1 19.0 62.8 65.6 85 87 A N T 3 S- 0 0 138 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.877 131.4 -60.0 53.9 39.3 17.7 65.1 68.3 86 88 A D T 3 S+ 0 0 149 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.475 111.6 121.5 71.5 5.7 17.3 62.0 70.5 87 89 A E B < -M 84 0C 116 -3,-1.8 -3,-1.9 1,-0.1 -1,-0.2 -0.859 53.1-155.6-103.0 135.6 14.9 60.4 68.0 88 90 A D S S+ 0 0 64 -2,-0.4 13,-0.3 -5,-0.2 2,-0.3 0.198 80.7 30.6 -95.5 17.1 15.6 57.0 66.4 89 91 A Q S S- 0 0 49 -5,-0.2 2,-0.3 11,-0.1 11,-0.2 -0.959 71.4-141.2-157.0 167.4 13.4 57.7 63.4 90 92 A A E -I 99 0B 15 9,-2.3 9,-2.6 -2,-0.3 2,-0.5 -0.972 5.2-150.3-132.0 148.0 12.3 60.7 61.4 91 93 A Y E -I 98 0B 103 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.993 15.7-162.4-109.4 126.2 9.2 61.9 59.7 92 94 A F E >>> -I 97 0B 46 5,-2.9 5,-1.4 -2,-0.5 4,-1.2 -0.876 5.4-165.7-110.8 102.3 9.9 64.0 56.6 93 95 A P T 345S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.835 86.0 59.2 -59.5 -31.7 6.9 66.0 55.6 94 96 A F T 345S+ 0 0 151 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.878 119.7 29.1 -66.1 -35.3 8.3 66.9 52.2 95 97 A F T <45S- 0 0 20 -3,-0.8 22,-0.3 2,-0.2 23,-0.3 0.454 100.3-135.2 -94.7 -3.2 8.6 63.2 51.2 96 98 A N T <5 + 0 0 47 -4,-1.2 20,-2.9 1,-0.2 21,-0.4 0.958 64.0 132.9 40.1 57.5 5.6 62.3 53.5 97 99 A A E < -IJ 92 115B 0 -5,-1.4 -5,-2.9 18,-0.2 2,-0.4 -0.950 58.0-134.8-139.4 150.4 7.9 59.4 54.5 98 100 A Y E -IJ 91 114B 81 16,-1.9 16,-3.2 -2,-0.3 2,-0.3 -0.899 28.7-170.4-105.3 140.1 9.2 57.7 57.7 99 101 A S E -IJ 90 113B 0 -9,-2.6 -9,-2.3 -2,-0.4 2,-0.3 -0.971 15.2-177.9-133.1 147.0 12.9 57.0 57.9 100 102 A C E - J 0 112B 0 12,-1.8 12,-2.3 -2,-0.3 2,-0.3 -0.931 16.4-152.3-137.8 164.8 15.3 55.0 60.2 101 103 A Y E + J 0 111B 9 -19,-0.4 -19,-2.6 -13,-0.3 2,-0.3 -0.971 17.1 176.2-145.4 144.5 19.1 54.7 60.0 102 104 A V E - J 0 110B 1 8,-2.6 8,-2.8 -2,-0.3 2,-0.4 -0.969 28.6-121.7-142.6 158.1 22.1 52.5 60.7 103 105 A E E - J 0 109B 80 -23,-0.4 6,-0.2 -2,-0.3 -23,-0.1 -0.847 23.7-148.8 -97.4 135.2 25.8 52.8 60.1 104 106 A D > - 0 0 7 4,-1.9 3,-2.0 -2,-0.4 -89,-0.1 -0.352 40.7 -84.4 -91.8 179.5 27.6 50.1 58.1 105 107 A P T 3 S+ 0 0 23 0, 0.0 -90,-0.1 0, 0.0 -91,-0.1 0.725 130.6 48.4 -59.9 -22.0 31.2 49.0 58.6 106 108 A S T 3 S- 0 0 14 -95,-0.1 3,-0.1 -92,-0.1 -96,-0.1 0.422 121.7-104.5 -92.4 -2.4 32.5 51.8 56.3 107 109 A G < + 0 0 1 -3,-2.0 85,-0.1 1,-0.3 -51,-0.1 0.555 64.5 160.3 85.7 9.3 30.4 54.4 58.0 108 110 A N - 0 0 0 -53,-0.1 -4,-1.9 -52,-0.1 2,-1.0 -0.426 44.2-126.1 -59.1 139.2 27.9 54.6 55.2 109 111 A I E -gJ 58 103B 1 -52,-2.4 -50,-2.1 -6,-0.2 2,-0.6 -0.825 30.5-165.4 -93.3 101.5 24.6 56.1 56.5 110 112 A I E -gJ 59 102B 2 -8,-2.8 -8,-2.6 -2,-1.0 2,-0.4 -0.829 7.8-175.1 -99.3 118.8 22.1 53.5 55.5 111 113 A E E -gJ 60 101B 0 -52,-2.7 -50,-2.9 -2,-0.6 2,-0.5 -0.890 22.2-150.5-115.8 140.9 18.5 54.6 55.7 112 114 A L E -gJ 61 100B 0 -12,-2.3 -12,-1.8 -2,-0.4 2,-0.5 -0.965 22.0-166.2-100.5 126.9 15.2 52.7 55.2 113 115 A I E -gJ 62 99B 0 -52,-2.4 -50,-2.4 -2,-0.5 2,-0.7 -0.972 10.3-164.4-118.9 126.6 12.6 55.2 53.8 114 116 A S E -gJ 63 98B 0 -16,-3.2 -16,-1.9 -2,-0.5 2,-0.5 -0.892 11.5-153.4-111.3 98.6 8.9 54.3 53.8 115 117 A R E > - J 0 97B 2 -2,-0.7 4,-0.6 -52,-0.6 -18,-0.2 -0.630 5.5-151.0 -77.8 120.2 7.1 56.8 51.5 116 118 A Q T 4 S+ 0 0 67 -20,-2.9 -1,-0.2 -2,-0.5 -19,-0.1 0.796 89.6 7.1 -72.4 -29.3 3.6 56.9 52.8 117 119 A Q T 4 S+ 0 0 172 -21,-0.4 -1,-0.2 -22,-0.3 -21,-0.1 0.570 125.7 62.0-120.0 -16.4 1.9 57.7 49.5 118 120 A A T 4 S+ 0 0 44 -23,-0.3 -2,-0.2 -22,-0.3 -3,-0.1 0.170 100.4 60.1 -99.6 15.7 4.8 57.3 47.0 119 121 A A S < S- 0 0 14 -4,-0.6 -55,-0.1 -5,-0.1 -5,-0.0 -0.966 89.6-104.2-135.1 154.3 5.3 53.6 47.8 120 122 A P - 0 0 67 0, 0.0 -55,-2.3 0, 0.0 2,-0.7 -0.297 24.7-118.7 -75.2 159.4 3.0 50.7 47.4 121 123 A V - 0 0 107 -57,-0.2 2,-0.7 -56,-0.2 -5,-0.0 -0.907 29.6-165.6 -93.1 116.0 1.1 48.9 50.2 122 124 A L - 0 0 43 -2,-0.7 2,-2.3 2,-0.1 -58,-0.0 -0.898 11.8-149.1-106.5 108.2 2.3 45.3 50.2 123 125 A D + 0 0 164 -2,-0.7 -2,-0.0 2,-0.0 -1,-0.0 -0.472 67.3 80.9 -81.8 76.2 0.0 43.2 52.2 124 126 A K S S- 0 0 99 -2,-2.3 -2,-0.1 0, 0.0 2,-0.1 -0.944 90.9 -73.4-164.1 163.8 2.6 40.7 53.3 125 127 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -58,-0.1 -0.393 49.1-116.3 -67.3 144.9 5.3 40.5 56.0 126 128 A F + 0 0 18 -60,-0.1 2,-0.3 -2,-0.1 5,-0.0 -0.508 46.6 152.8 -71.0 149.5 8.4 42.7 55.5 127 129 A S > - 0 0 41 -2,-0.2 3,-2.4 -53,-0.0 -56,-0.0 -0.947 62.8 -79.4-159.2-179.8 11.7 40.9 55.1 128 130 A A G > S+ 0 0 18 1,-0.3 3,-0.6 -2,-0.3 -2,-0.0 0.673 127.2 61.2 -58.9 -18.7 15.1 41.3 53.5 129 131 A D G 3 S+ 0 0 88 1,-0.2 -1,-0.3 -90,-0.1 -106,-0.0 0.430 91.6 69.7 -86.1 0.5 13.5 40.3 50.3 130 132 A Q G < + 0 0 32 -3,-2.4 -66,-0.4 -63,-0.0 2,-0.4 0.169 60.2 122.8-109.5 18.1 11.1 43.3 50.4 131 133 A L < - 0 0 6 -3,-0.6 -68,-0.2 1,-0.1 3,-0.1 -0.668 44.7-164.1 -76.5 131.4 13.6 46.1 49.7 132 134 A L - 0 0 42 -70,-2.6 -91,-2.2 -2,-0.4 2,-0.3 0.896 45.3 -52.4 -92.8 -42.1 12.2 47.9 46.7 133 135 A S E -H 62 0B 5 -71,-0.7 -71,-2.4 -93,-0.3 2,-0.5 -0.955 66.9 -63.5-179.4 173.1 15.0 50.1 45.2 134 136 A I E -H 61 0B 2 -132,-0.3 -132,-0.4 -2,-0.3 -73,-0.3 -0.735 43.4-177.6 -77.6 124.8 17.5 52.8 46.1 135 137 A G E + 0 0 0 -75,-2.6 42,-2.5 -2,-0.5 2,-0.3 0.666 63.7 13.6 -97.4 -22.2 15.4 55.8 47.2 136 138 A E E +Hk 60 177B 5 -76,-1.7 -76,-2.2 40,-0.2 2,-0.3 -0.991 52.6 174.0-151.4 146.5 18.3 58.3 47.8 137 139 A I E -Hk 59 178B 0 40,-1.1 42,-2.7 -2,-0.3 2,-0.2 -0.963 34.6-115.0-145.9 141.5 22.0 58.7 47.1 138 140 A N E - k 0 179B 5 -80,-1.2 2,-0.6 -2,-0.3 42,-0.2 -0.553 14.9-161.5 -74.0 138.5 24.2 61.7 47.8 139 141 A I E - k 0 180B 0 40,-2.6 42,-2.1 -2,-0.2 2,-0.7 -0.873 17.4-177.1-114.4 89.6 25.7 63.6 45.0 140 142 A T E + k 0 181B 6 -2,-0.6 2,-0.3 57,-0.2 57,-0.3 -0.830 14.5 174.8 -95.6 114.4 28.4 65.5 46.9 141 143 A T - 0 0 1 40,-2.3 3,-0.3 -2,-0.7 75,-0.2 -0.824 48.0-132.8-130.6 157.5 30.2 67.7 44.4 142 144 A S S S+ 0 0 73 73,-1.5 2,-0.2 -2,-0.3 74,-0.1 0.522 107.7 34.8 -81.3 -8.8 32.8 70.4 44.1 143 145 A D > + 0 0 68 72,-0.6 4,-2.6 38,-0.1 -1,-0.3 -0.693 62.1 178.8-150.3 91.9 30.4 72.4 42.0 144 146 A V H > S+ 0 0 7 -3,-0.3 4,-3.5 21,-0.3 5,-0.2 0.920 85.2 50.3 -60.4 -47.6 26.7 72.2 42.8 145 147 A E H > S+ 0 0 128 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 113.3 45.3 -59.6 -48.3 25.6 74.6 40.0 146 148 A Q H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.929 115.1 49.0 -58.2 -45.3 27.6 72.8 37.4 147 149 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.930 111.3 48.5 -61.3 -45.7 26.3 69.5 38.7 148 150 A A H X S+ 0 0 0 -4,-3.5 4,-1.3 1,-0.2 -1,-0.2 0.893 111.9 50.7 -62.3 -39.7 22.7 70.7 38.7 149 151 A T H X S+ 0 0 42 -4,-2.4 4,-2.5 -5,-0.2 3,-0.3 0.928 111.6 45.6 -63.8 -47.9 23.1 72.0 35.2 150 152 A R H < S+ 0 0 64 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.832 109.3 56.1 -66.5 -33.1 24.4 68.8 33.8 151 153 A L H <>S+ 0 0 0 -4,-2.2 5,-2.0 -5,-0.2 -1,-0.2 0.798 109.8 46.2 -68.5 -29.3 21.8 66.8 35.6 152 154 A K H ><5S+ 0 0 100 -4,-1.3 3,-2.6 -3,-0.3 -2,-0.2 0.904 108.2 54.6 -76.0 -44.6 19.2 68.9 33.8 153 155 A Q T 3<5S+ 0 0 144 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.613 103.7 59.1 -60.1 -12.7 21.0 68.4 30.5 154 156 A A T 3 5S- 0 0 12 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.350 125.5-105.7 -97.6 2.6 20.6 64.7 31.4 155 157 A E T < 5S+ 0 0 176 -3,-2.6 -3,-0.2 1,-0.3 -2,-0.1 0.755 72.0 142.1 79.6 28.9 16.8 65.2 31.4 156 158 A L < - 0 0 22 -5,-2.0 2,-0.8 1,-0.0 -1,-0.3 -0.716 64.3 -94.6 -94.9 152.0 16.3 65.0 35.2 157 159 A P + 0 0 73 0, 0.0 15,-0.5 0, 0.0 2,-0.4 -0.536 62.3 156.5 -69.8 105.4 13.8 67.2 37.0 158 160 A V - 0 0 7 -2,-0.8 2,-0.9 13,-0.1 3,-0.1 -0.993 37.9-156.1-136.2 127.9 15.7 70.3 38.1 159 161 A K >> - 0 0 125 -2,-0.4 3,-2.0 1,-0.2 4,-0.5 -0.839 14.5-166.3 -98.0 96.0 14.7 73.8 38.9 160 162 A L G >4 S+ 0 0 74 -2,-0.9 3,-0.9 1,-0.3 -1,-0.2 0.794 83.8 56.2 -54.7 -34.0 17.9 75.7 38.3 161 163 A D G 34 S+ 0 0 145 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.663 105.0 53.4 -75.3 -15.0 16.7 78.9 40.0 162 164 A Q G <4 S+ 0 0 109 -3,-2.0 2,-0.2 2,-0.0 -1,-0.2 0.495 81.3 119.1 -93.7 -6.4 16.0 76.9 43.2 163 165 A I << - 0 0 23 -3,-0.9 6,-0.1 -4,-0.5 3,-0.1 -0.444 49.8-157.5 -70.2 125.9 19.4 75.4 43.5 164 166 A E > - 0 0 116 -2,-0.2 3,-2.2 1,-0.1 -1,-0.1 -0.876 2.4-162.8-103.9 102.3 21.4 76.3 46.6 165 167 A P T 3 S+ 0 0 73 0, 0.0 -21,-0.3 0, 0.0 -1,-0.1 0.696 91.8 44.2 -60.0 -19.4 25.1 75.8 46.0 166 168 A A T 3 S+ 0 0 91 15,-0.1 2,-0.2 2,-0.1 15,-0.1 0.335 114.5 52.4-106.1 6.1 25.8 75.8 49.7 167 169 A G S < S- 0 0 21 -3,-2.2 2,-0.4 13,-0.1 -3,-0.1 -0.721 92.7 -77.8-131.8-178.6 23.0 73.5 50.8 168 170 A L - 0 0 40 -2,-0.2 2,-0.5 13,-0.2 13,-0.2 -0.669 40.4-161.5 -85.0 134.4 21.3 70.2 50.1 169 171 A N E -L 180 0B 14 11,-2.7 11,-2.3 -2,-0.4 2,-0.8 -0.979 12.9-140.2-121.4 121.2 19.1 70.0 47.0 170 172 A F E -L 179 0B 91 -2,-0.5 2,-0.6 9,-0.2 9,-0.2 -0.722 22.7-171.2 -80.7 111.0 16.5 67.3 46.5 171 173 A I E +L 178 0B 7 7,-2.6 7,-3.2 -2,-0.8 2,-0.3 -0.909 47.4 25.6-110.0 112.2 16.7 66.3 42.8 172 174 A G E -L 177 0B 22 -2,-0.6 2,-0.3 -15,-0.5 5,-0.2 -0.949 63.2-128.6 142.7-161.2 13.9 64.0 41.6 173 175 A D E > +L 176 0B 83 3,-1.1 3,-1.8 -2,-0.3 2,-0.4 -0.950 67.1 35.2-171.2-176.7 10.4 63.0 42.4 174 176 A Q T 3 S- 0 0 150 -2,-0.3 -56,-0.1 1,-0.2 3,-0.0 -0.434 127.1 -23.6 58.1-115.0 8.2 60.0 43.1 175 177 A D T 3 S+ 0 0 59 -2,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.268 122.3 69.7-117.9 12.4 10.5 57.5 44.9 176 178 A L E < + L 0 173B 23 -3,-1.8 -3,-1.1 -175,-0.1 2,-0.4 -0.977 50.9 173.3-133.9 124.9 14.0 58.5 43.9 177 179 A F E -kL 136 172B 17 -42,-2.5 -40,-1.1 -2,-0.4 2,-0.5 -0.992 23.3-145.1-128.9 133.7 15.9 61.6 45.0 178 180 A L E -kL 137 171B 4 -7,-3.2 -7,-2.6 -2,-0.4 2,-1.2 -0.835 18.9-140.7 -89.8 131.1 19.5 62.6 44.4 179 181 A L E -kL 138 170B 6 -42,-2.7 -40,-2.6 -2,-0.5 2,-0.5 -0.731 25.5-171.0 -98.3 88.6 20.8 64.5 47.4 180 182 A L E +kL 139 169B 0 -11,-2.3 -11,-2.7 -2,-1.2 -40,-0.2 -0.692 25.9 115.2 -88.7 121.2 22.9 67.2 45.6 181 183 A G E -k 140 0B 2 -42,-2.1 -40,-2.3 -2,-0.5 -13,-0.2 -0.969 57.1 -80.9-168.1-178.3 25.1 69.4 47.8 182 184 A P > - 0 0 27 0, 0.0 3,-0.7 0, 0.0 12,-0.2 -0.456 47.3 -97.0 -92.2 164.2 28.6 70.4 48.8 183 185 A P T 3 S+ 0 0 58 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.348 100.4 53.1 -67.6 161.6 31.1 68.7 51.1 184 186 A G T 3 S+ 0 0 51 10,-3.0 2,-0.4 1,-0.3 11,-0.1 -0.054 72.3 118.1 106.0 -31.0 31.2 70.0 54.7 185 187 A R < - 0 0 82 -3,-0.7 9,-2.6 8,-0.1 -1,-0.3 -0.566 67.9-122.2 -73.6 123.1 27.5 69.7 55.6 186 188 A R B -N 193 0D 107 -2,-0.4 2,-0.4 7,-0.3 7,-0.3 -0.462 25.5-120.4 -66.3 135.2 26.9 67.3 58.4 187 189 A W > - 0 0 11 5,-2.5 3,-1.9 -2,-0.2 5,-0.1 -0.633 29.4-108.7 -76.0 130.6 24.6 64.5 57.6 188 190 A L T 3 S+ 0 0 69 -2,-0.4 -104,-0.1 1,-0.2 -1,-0.1 -0.257 105.6 21.2 -50.4 143.2 21.5 64.2 59.7 189 191 A F T 3 S+ 0 0 12 1,-0.2 2,-0.3 -106,-0.1 -106,-0.3 0.433 116.3 83.9 72.0 4.6 21.6 61.2 62.0 190 192 A S S < S- 0 0 10 -3,-1.9 -1,-0.2 2,-0.1 -81,-0.0 -0.929 71.3-141.0-136.6 154.6 25.5 61.1 61.7 191 193 A E S S+ 0 0 187 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.624 78.6 103.5 -78.9 -17.1 28.6 62.6 63.2 192 194 A R - 0 0 82 -85,-0.1 -5,-2.5 -5,-0.1 2,-0.3 -0.470 63.7-145.0 -79.4 132.2 30.0 62.6 59.7 193 195 A V B -N 186 0D 72 -7,-0.3 -7,-0.3 -2,-0.3 -8,-0.1 -0.678 39.3 -89.4 -86.1 146.7 30.3 65.7 57.5 194 196 A A - 0 0 3 -9,-2.6 -10,-3.0 -2,-0.3 2,-0.4 -0.314 49.3-176.0 -58.9 136.4 29.8 65.2 53.8 195 197 A V - 0 0 52 -12,-0.2 2,-0.4 -139,-0.2 -139,-0.2 -0.988 30.1-107.2-135.7 141.7 33.0 64.5 51.9 196 198 A I + 0 0 35 -2,-0.4 -55,-0.1 18,-0.1 -139,-0.0 -0.581 45.3 163.1 -71.8 122.9 33.5 64.1 48.2 197 199 A Y - 0 0 50 -2,-0.4 -57,-0.2 -57,-0.3 17,-0.1 -0.978 39.4-102.4-135.8 148.1 34.1 60.5 47.1 198 200 A P + 0 0 32 0, 0.0 -190,-0.4 0, 0.0 2,-0.3 -0.325 46.2 157.7 -69.9 155.2 33.9 59.0 43.6 199 201 A L E - E 0 211A 5 12,-1.6 12,-2.5 -192,-0.1 2,-0.3 -0.956 26.7-142.8-160.1 169.3 30.9 57.0 42.4 200 202 A Q E -AE 6 210A 88 -194,-1.7 -194,-2.9 -2,-0.3 2,-0.3 -0.976 15.6-168.5-135.6 155.2 29.1 55.9 39.2 201 203 A M E -AE 5 209A 3 8,-2.8 8,-2.5 -2,-0.3 2,-0.5 -0.999 12.3-164.6-149.5 135.5 25.4 55.5 38.5 202 204 A E E -AE 4 208A 73 -198,-3.2 -199,-2.5 -2,-0.3 -198,-2.0 -0.976 15.8-152.7-122.7 119.6 23.2 54.0 35.8 203 205 A L E > -A 2 0A 14 4,-2.5 3,-1.9 -2,-0.5 -201,-0.2 -0.493 30.2-110.0 -85.3 159.3 19.5 54.9 35.7 204 206 A D T 3 S+ 0 0 109 -203,-3.0 -202,-0.1 1,-0.3 -1,-0.1 0.777 115.9 64.4 -59.5 -26.2 16.9 52.6 34.2 205 207 A N T 3 S- 0 0 101 -204,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.229 121.1-103.2 -85.4 14.3 16.5 55.0 31.3 206 208 A G S < S+ 0 0 52 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.188 75.0 139.0 91.1 -18.2 20.0 54.4 30.1 207 209 A V - 0 0 24 -53,-0.1 -4,-2.5 -5,-0.1 2,-0.4 -0.399 35.0-160.4 -66.8 135.7 21.6 57.7 31.4 208 210 A S E +E 202 0A 64 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.961 13.7 171.4-121.2 133.0 25.0 57.2 33.0 209 211 A L E -E 201 0A 3 -8,-2.5 -8,-2.8 -2,-0.4 2,-0.3 -0.957 9.0-169.2-141.0 159.8 26.8 59.6 35.4 210 212 A A E -EF 200 218A 22 8,-2.2 8,-2.8 -2,-0.3 2,-0.5 -0.991 17.7-143.9-147.2 150.5 29.8 59.7 37.6 211 213 A I E -EF 199 217A 4 -12,-2.5 -12,-1.6 -2,-0.3 6,-0.2 -0.985 26.9-140.1-114.9 121.7 31.4 61.8 40.3 212 214 A T > - 0 0 39 4,-1.9 3,-1.6 -2,-0.5 -15,-0.0 -0.199 31.7 -98.6 -73.6 172.7 35.2 62.0 40.0 213 215 A E T 3 S+ 0 0 131 1,-0.3 -1,-0.1 2,-0.1 -17,-0.1 0.641 125.7 53.8 -72.3 -10.9 37.4 61.8 43.2 214 216 A T T 3 S- 0 0 86 2,-0.1 -1,-0.3 -17,-0.1 -18,-0.1 0.410 124.9-100.6-101.1 -1.0 37.6 65.6 43.1 215 217 A G < + 0 0 0 -3,-1.6 -73,-1.5 1,-0.3 -72,-0.6 0.547 68.5 147.5 103.8 9.6 33.9 66.0 43.0 216 218 A E - 0 0 67 -75,-0.2 -4,-1.9 -74,-0.1 2,-0.5 -0.670 39.5-142.5 -84.0 121.7 33.0 66.8 39.4 217 219 A L E +F 211 0A 0 -2,-0.5 2,-0.3 -74,-0.2 -6,-0.2 -0.727 28.0 176.6 -79.6 124.2 29.7 65.4 38.2 218 220 A V E F 210 0A 43 -8,-2.8 -8,-2.2 -2,-0.5 -71,-0.0 -0.880 360.0 360.0-126.6 159.1 30.0 64.2 34.6 219 221 A I 0 0 103 -2,-0.3 -10,-0.3 -10,-0.2 -68,-0.0 -0.777 360.0 360.0-110.4 360.0 27.6 62.5 32.2