==== 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 13-FEB-00 1EG5 . COMPND 2 MOLECULE: AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR J.T.KAISER,T.CLAUSEN,G.P.BOURENKOW,H.-D.BARTUNIK,S.STEINBACH . 729 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 7.7 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 . 0 0.0 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 . 2 0.3 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 . 43 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 267 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 1 2 1 2 0 0 2 2 4 0 0 2 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 4 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 PARALLEL BRIDGES PER LADDER . 8 2 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 1 A X 0 0 90 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.1 14.7 74.2 44.8 2 2 A R - 0 0 112 314,-0.1 2,-0.5 2,-0.0 314,-0.2 -0.834 360.0-173.5 -89.9 120.2 15.0 70.5 44.0 3 3 A V E -a 316 0A 0 312,-3.7 314,-2.8 -2,-0.6 2,-0.9 -0.915 8.7-163.1-122.8 106.1 13.5 68.4 46.9 4 4 A Y E +a 317 0A 8 -2,-0.5 3,-0.2 312,-0.2 339,-0.1 -0.777 22.9 158.4 -91.6 104.3 13.8 64.7 46.7 5 5 A F + 0 0 0 312,-2.2 336,-2.2 -2,-0.9 314,-0.3 -0.273 51.6 89.9-116.5 42.7 11.3 63.0 49.0 6 6 A D B >> +b 341 0B 0 334,-0.2 3,-1.7 312,-0.2 4,-1.2 -0.116 39.9 134.7-130.8 41.6 11.2 59.6 47.4 7 7 A N T 34 + 0 0 4 334,-2.1 335,-0.1 1,-0.3 -1,-0.1 0.632 64.8 64.1 -67.6 -15.1 14.0 57.9 49.2 8 8 A N T 34 S+ 0 0 2 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.614 103.0 50.1 -82.0 -15.2 12.1 54.7 49.8 9 9 A A T <4 S- 0 0 14 -3,-1.7 2,-0.3 1,-0.5 -2,-0.2 0.838 135.9 -44.3 -86.1 -40.2 12.0 54.2 46.0 10 10 A T < - 0 0 0 -4,-1.2 -1,-0.5 193,-0.1 2,-0.3 -0.899 58.6-135.3-179.0 164.0 15.8 54.7 45.7 11 11 A T - 0 0 3 191,-1.8 2,-0.3 -2,-0.3 193,-0.1 -0.834 27.6 -95.1-131.5 167.2 18.4 57.1 47.1 12 12 A R - 0 0 58 -2,-0.3 380,-0.1 191,-0.1 2,-0.1 -0.660 50.6-106.1 -79.6 137.8 21.4 59.1 45.9 13 13 A V - 0 0 7 378,-1.2 193,-0.2 -2,-0.3 192,-0.1 -0.420 37.4-108.2 -66.9 136.2 24.7 57.3 46.4 14 14 A D > - 0 0 6 191,-2.2 4,-2.6 1,-0.1 3,-0.5 -0.394 21.1-127.4 -63.1 137.1 26.7 58.8 49.3 15 15 A D H > S+ 0 0 79 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.823 112.0 54.1 -56.1 -36.0 29.8 60.7 48.0 16 16 A R H > S+ 0 0 85 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.853 109.6 48.5 -67.1 -35.1 32.0 58.6 50.3 17 17 A V H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 3,-0.3 0.950 111.1 48.7 -69.7 -46.5 30.6 55.5 48.8 18 18 A L H X S+ 0 0 10 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.878 105.5 58.3 -61.8 -40.6 31.1 56.7 45.2 19 19 A E H X S+ 0 0 145 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.897 108.9 45.2 -56.9 -42.8 34.7 57.6 45.9 20 20 A E H >X S+ 0 0 63 -4,-1.2 4,-0.7 -3,-0.3 3,-0.6 0.896 110.6 54.0 -69.0 -38.3 35.4 54.0 46.9 21 21 A X H >X S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 4,-0.9 0.915 97.5 63.9 -61.7 -44.1 33.6 52.5 44.0 22 22 A I H >X S+ 0 0 44 -4,-2.4 4,-2.3 1,-0.3 3,-0.7 0.806 94.3 61.6 -52.8 -32.9 35.6 54.5 41.4 23 23 A V H S+ 0 0 38 -4,-0.7 5,-2.7 -3,-0.6 4,-2.6 0.871 103.1 50.3 -62.4 -37.7 38.8 52.8 42.4 24 24 A F H <<5S+ 0 0 10 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.668 111.3 47.6 -77.7 -15.7 37.3 49.4 41.4 25 25 A Y H <<5S+ 0 0 6 -4,-0.9 354,-1.5 -3,-0.7 -2,-0.2 0.858 126.7 25.3 -86.7 -41.2 36.3 50.7 37.9 26 26 A R H <5S+ 0 0 103 -4,-2.3 -2,-0.2 352,-0.2 -3,-0.2 0.809 137.2 7.9 -94.7 -40.6 39.6 52.4 37.2 27 27 A E T <5S+ 0 0 105 -4,-2.6 2,-0.8 -5,-0.3 -3,-0.2 0.797 125.4 43.6-112.0 -52.9 42.4 50.7 39.1 28 28 A K < + 0 0 50 -5,-2.7 -1,-0.1 1,-0.2 -2,-0.1 -0.487 69.7 134.3 -99.8 60.9 41.3 47.6 40.9 29 29 A Y + 0 0 31 -2,-0.8 -1,-0.2 -3,-0.1 -5,-0.1 0.252 26.6 132.7 -95.7 11.6 39.3 46.2 38.1 30 30 A G - 0 0 0 8,-0.3 211,-0.1 -3,-0.1 9,-0.1 -0.101 67.7-101.4 -62.8 157.5 40.5 42.6 38.2 31 31 A N > - 0 0 12 345,-0.1 3,-2.4 1,-0.1 12,-0.2 -0.758 27.5-138.8 -78.5 122.5 38.2 39.6 38.1 32 32 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.639 102.3 55.1 -59.8 -10.6 37.9 38.4 41.8 33 33 A N T 3 S+ 0 0 75 342,-0.1 2,-0.2 206,-0.1 6,-0.1 0.522 82.8 108.8 -98.1 -7.1 38.0 34.8 40.5 34 34 A S < - 0 0 17 -3,-2.4 9,-0.2 1,-0.1 8,-0.1 -0.475 66.9-140.9 -71.6 140.5 41.3 35.3 38.6 35 35 A A S S+ 0 0 52 -2,-0.2 -1,-0.1 651,-0.1 650,-0.1 0.679 72.9 88.4 -78.3 -12.5 44.3 33.6 40.2 36 36 A H S >> S- 0 0 1 648,-0.2 4,-2.6 1,-0.1 3,-0.6 -0.106 96.8 -85.2 -82.4 179.0 46.7 36.4 39.5 37 37 A G H 3> S+ 0 0 22 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.818 125.7 46.7 -52.1 -41.9 47.6 39.5 41.5 38 38 A X H 3> S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -8,-0.3 0.797 113.1 50.8 -74.6 -27.7 44.8 41.8 40.3 39 39 A G H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.899 110.9 48.2 -72.8 -42.5 42.3 39.0 40.8 40 40 A I H X S+ 0 0 98 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.909 110.5 52.4 -63.6 -44.3 43.6 38.5 44.4 41 41 A E H X S+ 0 0 46 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.931 112.7 43.6 -59.5 -44.7 43.4 42.2 45.0 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.918 113.5 50.8 -68.0 -42.5 39.8 42.3 43.9 43 43 A N H X S+ 0 0 61 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.921 108.3 54.5 -59.9 -41.2 38.9 39.2 45.8 44 44 A L H X S+ 0 0 96 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.939 111.1 42.6 -58.7 -51.6 40.5 40.7 48.9 45 45 A H H X S+ 0 0 40 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.836 112.2 54.8 -65.1 -33.1 38.4 43.8 48.8 46 46 A X H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.917 109.9 46.7 -66.4 -40.5 35.3 41.8 47.9 47 47 A E H X S+ 0 0 54 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.873 108.6 55.0 -70.8 -31.0 35.9 39.7 51.1 48 48 A K H X S+ 0 0 106 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.914 107.7 50.9 -63.8 -42.0 36.5 42.8 53.2 49 49 A A H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 109.6 49.6 -59.9 -47.1 33.1 44.1 52.0 50 50 A R H X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.903 113.0 47.1 -59.2 -42.7 31.5 40.8 53.0 51 51 A E H X S+ 0 0 101 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.859 109.9 52.7 -67.9 -36.0 33.1 41.0 56.4 52 52 A K H X S+ 0 0 52 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.919 111.8 46.1 -67.4 -39.1 32.1 44.6 56.8 53 53 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.924 112.1 50.8 -68.9 -44.2 28.5 43.7 56.1 54 54 A A H X>S+ 0 0 1 -4,-2.4 5,-2.5 1,-0.2 4,-0.9 0.910 110.0 50.3 -59.8 -44.0 28.6 40.6 58.4 55 55 A K H ><5S+ 0 0 182 -4,-2.4 3,-0.6 3,-0.2 -1,-0.2 0.929 110.6 49.1 -60.9 -45.1 30.0 42.8 61.2 56 56 A V H 3<5S+ 0 0 33 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.885 116.9 41.1 -62.1 -41.7 27.2 45.4 60.8 57 57 A L H 3<5S- 0 0 0 -4,-2.3 132,-2.5 -5,-0.1 133,-0.6 0.511 111.8-118.7 -85.7 -5.4 24.4 42.8 60.8 58 58 A G T <<5S+ 0 0 21 -4,-0.9 -3,-0.2 -3,-0.6 2,-0.2 0.846 74.4 109.6 72.3 34.5 26.0 40.7 63.6 59 59 A V S - 0 0 62 -2,-0.2 3,-2.6 1,-0.1 4,-0.3 -0.724 34.2-124.4 -90.3 142.7 29.3 35.4 60.1 61 61 A P G > S+ 0 0 48 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.842 110.8 63.2 -52.9 -32.9 30.9 36.5 56.8 62 62 A S G 3 S+ 0 0 39 1,-0.3 -11,-0.0 -11,-0.0 -12,-0.0 0.565 96.3 59.0 -70.7 -9.1 30.0 33.1 55.3 63 63 A E G < S+ 0 0 20 -3,-2.6 152,-2.6 154,-0.1 2,-0.5 0.430 89.0 89.8 -98.1 -2.0 26.3 33.8 55.8 64 64 A I E < +F 214 0C 1 -3,-1.8 2,-0.4 -4,-0.3 150,-0.2 -0.860 52.7 179.5-102.5 126.4 26.5 36.9 53.5 65 65 A F E -F 213 0C 9 148,-3.2 148,-2.8 -2,-0.5 2,-0.4 -0.961 19.7-135.5-126.3 139.6 25.8 36.6 49.8 66 66 A F E +F 212 0C 7 -2,-0.4 146,-0.2 146,-0.2 2,-0.2 -0.815 28.0 167.1-100.8 132.0 25.8 39.3 47.1 67 67 A T E -F 211 0C 9 144,-2.5 144,-3.1 -2,-0.4 3,-0.1 -0.649 48.9 -99.8-126.2-175.1 23.1 39.6 44.4 68 68 A S S S- 0 0 8 142,-0.3 2,-0.3 1,-0.3 141,-0.2 0.629 95.6 -23.2 -84.9 -13.7 22.0 42.1 41.9 69 69 A C > - 0 0 3 140,-0.2 4,-2.1 141,-0.1 3,-0.4 -0.914 67.4 -92.4 176.2 164.1 19.1 43.4 44.0 70 70 A A H > S+ 0 0 7 140,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.818 121.5 60.7 -62.9 -31.1 16.7 42.5 46.8 71 71 A T H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.932 105.5 46.6 -63.7 -42.6 14.2 41.2 44.2 72 72 A E H > S+ 0 0 0 -3,-0.4 4,-3.1 2,-0.2 -2,-0.2 0.941 112.5 50.9 -62.5 -45.1 16.8 38.6 43.0 73 73 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.885 110.9 48.0 -57.5 -43.5 17.5 37.7 46.7 74 74 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.920 113.8 46.4 -65.8 -44.3 13.8 37.2 47.4 75 75 A N H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 5,-0.4 0.924 112.5 51.9 -62.7 -44.9 13.3 35.1 44.3 76 76 A W H X S+ 0 0 0 -4,-3.1 4,-2.0 -5,-0.2 146,-0.3 0.932 115.6 39.6 -56.2 -52.3 16.4 33.1 45.1 77 77 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.4 0.963 119.6 42.2 -66.4 -54.7 15.3 32.3 48.6 78 78 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 5,-0.2 0.934 119.3 43.2 -63.4 -46.4 11.6 31.7 48.0 79 79 A K H X S+ 0 0 22 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.907 119.3 39.9 -68.7 -42.9 12.0 29.7 44.9 80 80 A T H X S+ 0 0 2 -4,-2.0 4,-1.6 -5,-0.4 -1,-0.2 0.772 114.1 51.9 -80.0 -25.3 14.9 27.5 45.9 81 81 A V H X S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.3 -2,-0.2 0.930 113.0 46.8 -72.6 -40.5 13.8 26.8 49.4 82 82 A A H >< S+ 0 0 0 -4,-1.8 3,-1.1 -5,-0.4 4,-0.4 0.922 108.1 57.3 -62.4 -43.6 10.4 25.8 48.0 83 83 A E H >< S+ 0 0 29 -4,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.887 103.5 52.6 -55.0 -40.8 12.3 23.6 45.5 84 84 A T H 3< S+ 0 0 12 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.725 110.6 48.4 -70.5 -22.1 14.0 21.7 48.3 85 85 A F T XX S+ 0 0 20 -3,-1.1 4,-2.4 -4,-0.9 3,-1.9 0.331 77.7 136.4 -99.1 5.2 10.7 21.0 49.9 86 86 A E T <4 S+ 0 0 97 -3,-1.2 4,-0.1 -4,-0.4 -3,-0.0 -0.296 80.4 7.5 -55.7 134.0 8.9 19.7 46.7 87 87 A K T 34 S+ 0 0 219 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.732 129.9 62.6 63.8 24.8 6.9 16.5 47.5 88 88 A R T <4 S+ 0 0 159 -3,-1.9 2,-0.3 1,-0.7 -2,-0.2 0.461 111.6 8.0-136.6 -58.7 7.6 17.0 51.2 89 89 A K < + 0 0 54 -4,-2.4 -1,-0.7 -7,-0.2 -2,-0.2 -0.920 53.8 177.0-128.5 156.7 6.1 20.3 52.5 90 90 A R + 0 0 116 49,-0.9 25,-3.8 -2,-0.3 2,-0.5 0.448 45.0 97.3-144.2 -1.1 3.8 22.5 50.5 91 91 A T E +gh 115 140C 0 48,-2.2 50,-1.9 23,-0.2 51,-0.9 -0.828 39.7 179.3-105.8 130.7 2.6 25.5 52.6 92 92 A I E -gh 116 142C 1 23,-2.8 25,-2.8 -2,-0.5 2,-0.4 -0.970 12.2-153.8-124.6 139.7 4.2 28.9 52.6 93 93 A I E +gh 117 143C 1 49,-2.5 51,-2.9 -2,-0.4 2,-0.2 -0.955 26.7 139.0-122.0 132.8 3.0 31.8 54.7 94 94 A T E -g 118 0C 2 23,-2.4 25,-2.4 -2,-0.4 51,-0.1 -0.786 42.9 -97.7-147.3-171.1 3.3 35.6 54.1 95 95 A T > - 0 0 4 49,-0.4 3,-0.8 23,-0.2 23,-0.0 -0.765 23.3-121.2-115.3 165.7 1.2 38.8 54.4 96 96 A P T 3 S+ 0 0 34 0, 0.0 230,-0.1 0, 0.0 -1,-0.0 0.583 107.1 63.5 -82.0 -7.4 -0.8 40.8 51.9 97 97 A I T 3 S+ 0 0 1 229,-0.1 226,-0.1 28,-0.1 3,-0.1 0.320 75.8 123.0 -96.6 4.8 1.3 44.0 52.4 98 98 A E S < S- 0 0 0 -3,-0.8 51,-0.0 1,-0.1 47,-0.0 -0.215 72.4 -92.7 -64.2 157.7 4.6 42.5 51.1 99 99 A H >> - 0 0 51 1,-0.1 4,-2.2 4,-0.1 3,-1.5 -0.311 39.1-107.1 -66.3 155.4 6.5 44.0 48.3 100 100 A K H 3> S+ 0 0 89 1,-0.3 4,-2.9 2,-0.2 5,-0.4 0.747 117.8 70.4 -57.6 -24.1 5.7 42.7 44.8 101 101 A A H 3> S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.894 110.6 33.4 -59.5 -39.3 9.0 40.9 44.8 102 102 A V H <> S+ 0 0 0 -3,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.939 119.9 48.9 -81.4 -49.2 7.5 38.6 47.4 103 103 A L H X S+ 0 0 25 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.851 111.9 48.3 -60.9 -38.3 3.9 38.6 46.2 104 104 A E H X S+ 0 0 57 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.840 111.4 50.0 -72.3 -33.2 4.7 37.8 42.6 105 105 A T H X S+ 0 0 0 -4,-0.7 4,-2.6 -5,-0.4 -2,-0.2 0.879 111.0 49.9 -70.7 -38.4 7.1 35.0 43.6 106 106 A X H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.892 107.7 53.8 -66.0 -37.6 4.3 33.6 45.8 107 107 A K H X S+ 0 0 137 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.877 111.4 46.8 -64.0 -36.2 1.9 33.9 42.8 108 108 A Y H X S+ 0 0 45 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.914 112.3 47.7 -71.1 -46.2 4.4 31.8 40.8 109 109 A L H <>S+ 0 0 5 -4,-2.6 5,-2.5 2,-0.2 -2,-0.2 0.829 110.3 54.4 -65.4 -29.9 4.9 29.2 43.5 110 110 A S H ><5S+ 0 0 59 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.952 106.6 49.7 -67.6 -48.0 1.2 29.0 43.9 111 111 A X H 3<5S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.778 106.0 59.1 -60.0 -28.1 0.8 28.3 40.2 112 112 A K T 3<5S- 0 0 80 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.361 131.4 -91.9 -82.2 0.8 3.5 25.6 40.7 113 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A I H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.818 108.1 49.8 -70.7 -25.5 2.1 72.3 48.4 359 370 A E H X S+ 0 0 115 -4,-1.4 4,-1.3 -3,-0.3 -2,-0.2 0.943 110.1 49.9 -73.5 -47.6 -0.3 74.9 49.8 360 371 A E H >X S+ 0 0 56 -4,-1.9 4,-1.3 1,-0.2 3,-0.7 0.915 112.1 49.5 -53.9 -45.2 0.2 77.1 46.7 361 372 A I H 3X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.875 105.6 55.9 -61.8 -42.3 -0.6 73.9 44.6 362 373 A L H 3< S+ 0 0 36 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.736 104.4 54.5 -63.3 -24.4 -3.7 73.2 46.6 363 374 A S H << S+ 0 0 87 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.860 109.9 45.7 -77.7 -35.3 -5.1 76.6 45.8 364 375 A F H < 0 0 145 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.801 360.0 360.0 -76.3 -32.2 -4.6 76.1 42.0 365 376 A L < 0 0 85 -4,-1.9 -63,-0.0 -58,-0.0 -58,-0.0 -0.574 360.0 360.0 -71.7 360.0 -6.2 72.6 42.0 366 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 367 1 B X 0 0 102 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.8 55.3 48.1 34.3 368 2 B R - 0 0 130 314,-0.1 2,-0.6 2,-0.0 314,-0.2 -0.857 360.0-171.2 -91.8 120.4 51.8 46.8 35.0 369 3 B V E -p 682 0H 0 312,-3.5 314,-3.1 -2,-0.6 2,-0.9 -0.898 8.0-166.8-123.0 105.6 50.7 44.6 32.1 370 4 B Y E +p 683 0H 9 -2,-0.6 3,-0.2 312,-0.2 340,-0.1 -0.776 22.6 155.8 -94.3 102.1 47.1 43.5 32.0 371 5 B F + 0 0 0 312,-1.9 337,-2.7 -2,-0.9 314,-0.3 -0.232 51.9 87.2-118.1 41.1 46.7 40.6 29.5 372 6 B D B >> +q 708 0I 0 335,-0.2 3,-1.6 312,-0.2 4,-1.1 -0.202 40.9 136.4-132.1 40.9 43.6 39.0 30.9 373 7 B N T 34 + 0 0 5 335,-2.3 336,-0.1 1,-0.3 -1,-0.1 0.644 63.6 67.5 -65.5 -15.1 40.9 41.1 29.2 374 8 B N T 34 S+ 0 0 3 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.659 102.1 48.7 -77.9 -16.6 38.8 38.0 28.4 375 9 B A T <4 S- 0 0 14 -3,-1.6 2,-0.3 1,-0.4 -2,-0.2 0.813 135.2 -40.2 -86.9 -38.9 38.1 37.6 32.2 376 10 B T < - 0 0 0 -4,-1.1 -1,-0.4 193,-0.1 2,-0.3 -0.909 57.6-134.8-178.1 162.0 37.2 41.3 32.6 377 11 B T - 0 0 3 191,-1.8 2,-0.3 -2,-0.3 193,-0.1 -0.816 27.1 -99.1-129.0 164.3 38.2 44.7 31.4 378 12 B R - 0 0 56 -2,-0.3 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1,-0.3 3,-0.9 0.838 94.2 63.2 -55.0 -33.5 28.8 59.1 37.5 389 23 B V H 3X>S+ 0 0 40 -4,-0.9 4,-2.8 -3,-0.4 5,-2.5 0.872 103.4 48.8 -59.7 -40.0 26.0 61.5 36.4 390 24 B F H <<5S+ 0 0 10 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.656 112.5 47.1 -77.9 -15.7 23.5 58.8 37.3 391 25 B Y H <<5S+ 0 0 7 -3,-0.9 -378,-1.2 -4,-0.7 -2,-0.2 0.878 126.2 27.6 -86.7 -41.0 25.0 58.1 40.7 392 26 B R H <5S+ 0 0 106 -4,-2.8 -2,-0.2 -380,-0.1 -3,-0.2 0.789 137.0 6.5 -90.3 -39.1 25.2 61.8 41.6 393 27 B E T <5S+ 0 0 95 -4,-2.8 2,-0.6 -5,-0.3 -3,-0.2 0.772 125.3 42.2-116.6 -52.5 22.5 63.7 39.8 394 28 B K < + 0 0 48 -5,-2.5 -2,-0.1 1,-0.2 -1,-0.1 -0.429 69.8 137.2 -99.7 60.6 20.0 61.6 37.8 395 29 B Y + 0 0 28 -2,-0.6 -1,-0.2 -4,-0.1 -5,-0.1 0.249 27.5 133.1 -90.0 12.3 19.6 59.0 40.5 396 30 B G - 0 0 0 8,-0.3 211,-0.1 1,-0.1 -385,-0.1 -0.162 67.7-100.2 -65.5 161.6 15.9 58.6 40.3 397 31 B N > - 0 0 12 1,-0.1 3,-2.4 -387,-0.1 12,-0.2 -0.723 27.8-140.3 -80.2 122.8 14.1 55.3 40.1 398 32 B P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.619 101.0 55.9 -61.3 -12.0 13.2 54.7 36.4 399 33 B N T 3 S+ 0 0 75 -390,-0.1 2,-0.2 206,-0.1 7,-0.1 0.533 82.9 105.8 -98.6 -5.8 9.9 53.3 37.4 400 34 B S < - 0 0 16 -3,-2.4 9,-0.2 1,-0.1 8,-0.1 -0.507 67.1-141.1 -74.6 141.1 8.8 56.4 39.4 401 35 B A S S+ 0 0 54 -2,-0.2 -1,-0.1 4,-0.1 -82,-0.1 0.553 72.5 93.4 -80.8 -4.3 6.2 58.6 37.8 402 36 B H S > S- 0 0 1 -84,-0.1 4,-2.9 1,-0.1 3,-0.3 -0.247 94.6 -89.6 -83.3 174.6 7.8 61.9 38.9 403 37 B G H > S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.798 125.1 46.1 -52.5 -44.7 10.3 64.1 37.1 404 38 B X H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -8,-0.3 0.843 115.2 50.5 -72.9 -24.9 13.5 62.4 38.3 405 39 B G H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.927 110.5 46.1 -75.9 -44.2 11.9 59.1 37.6 406 40 B I H X S+ 0 0 103 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.852 112.2 54.0 -66.7 -33.9 10.8 59.9 34.0 407 41 B E H X S+ 0 0 45 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.920 110.1 45.1 -65.9 -45.7 14.3 61.4 33.5 408 42 B A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.936 112.0 52.8 -63.2 -45.1 16.0 58.2 34.6 409 43 B N H X S+ 0 0 57 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.887 105.3 56.2 -58.3 -38.0 13.6 56.1 32.5 410 44 B L H X S+ 0 0 94 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.943 109.9 43.1 -59.1 -52.7 14.5 58.3 29.5 411 45 B H H X S+ 0 0 43 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.833 112.2 53.7 -64.8 -31.5 18.2 57.6 29.7 412 46 B X H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.906 111.9 45.4 -68.0 -42.7 17.6 53.9 30.4 413 47 B E H X S+ 0 0 57 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.884 109.6 54.6 -69.4 -35.8 15.5 53.7 27.2 414 48 B K H X S+ 0 0 109 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.889 108.9 49.5 -63.6 -36.4 18.1 55.7 25.3 415 49 B A H X S+ 0 0 5 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.938 109.4 50.7 -66.1 -47.0 20.6 53.0 26.4 416 50 B R H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.914 112.1 47.8 -55.8 -42.4 18.3 50.2 25.2 417 51 B E H X S+ 0 0 104 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.827 109.6 52.5 -67.7 -36.5 17.9 51.9 21.8 418 52 B K H X S+ 0 0 62 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.921 112.0 45.7 -66.6 -42.3 21.7 52.5 21.5 419 53 B V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.935 112.9 50.7 -66.2 -44.2 22.3 48.7 22.2 420 54 B A H X>S+ 0 0 1 -4,-2.6 5,-2.4 -5,-0.2 4,-1.2 0.913 110.3 49.8 -62.3 -39.2 19.5 47.7 19.8 421 55 B K H ><5S+ 0 0 180 -4,-2.2 3,-0.5 2,-0.2 -1,-0.2 0.939 110.5 49.0 -65.1 -46.8 21.0 50.0 17.1 422 56 B V H 3<5S+ 0 0 34 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 117.3 41.6 -58.5 -42.7 24.5 48.5 17.5 423 57 B L H 3<5S- 0 0 0 -4,-2.4 132,-2.4 -5,-0.1 133,-0.8 0.549 111.1-120.2 -81.9 -12.9 23.1 44.9 17.3 424 58 B G T <<5S+ 0 0 27 -4,-1.2 -3,-0.2 -3,-0.5 2,-0.2 0.804 73.1 110.0 77.0 32.4 20.7 45.7 14.5 425 59 B V S - 0 0 62 -2,-0.2 3,-3.0 1,-0.1 4,-0.3 -0.703 33.7-125.1 -87.3 141.5 14.4 46.4 17.9 427 61 B P G > S+ 0 0 52 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.866 111.4 63.6 -50.3 -36.7 14.7 48.2 21.2 428 62 B S G 3 S+ 0 0 35 1,-0.3 -11,-0.0 -11,-0.0 -12,-0.0 0.639 96.7 58.2 -65.4 -13.5 11.8 46.0 22.4 429 63 B E G < S+ 0 0 20 -3,-3.0 152,-2.3 154,-0.1 2,-0.5 0.410 87.5 90.7 -95.8 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