==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-SEP-04 1XI3 . COMPND 2 MOLECULE: THIAMINE PHOSPHATE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR W.ZHOU,L.CHEN,W.TEMPEL,Z.-J.LIU,J.HABEL,D.LEE,D.LIN,S.- . 404 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 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 . 19 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.7 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 2 3 0 0 4 2 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 9 7 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A N > 0 0 168 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -89.8 1.7 20.8 91.9 2 3 A L H > + 0 0 34 2,-0.2 4,-1.2 1,-0.2 61,-0.1 0.913 360.0 60.7 -51.1 -46.5 5.1 20.9 90.2 3 4 A R H >4 S+ 0 0 96 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.918 106.5 42.8 -57.5 -42.0 6.4 21.2 93.7 4 5 A N H >4 S+ 0 0 118 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.879 111.7 53.6 -73.2 -33.4 4.9 17.8 94.8 5 6 A K H 3< S+ 0 0 39 -4,-1.9 3,-0.3 1,-0.2 58,-0.3 0.611 97.4 66.7 -79.8 -5.7 5.9 16.0 91.6 6 7 A L T << S+ 0 0 0 -4,-1.2 3,-0.4 -3,-0.5 -1,-0.2 0.432 71.1 103.0 -86.8 4.3 9.6 17.1 92.0 7 8 A K S < S+ 0 0 22 -3,-1.1 168,-2.1 1,-0.3 2,-0.5 0.873 90.3 21.2 -63.8 -43.0 10.1 15.0 95.1 8 9 A L E S-a 175 0A 0 -3,-0.3 24,-2.4 166,-0.2 25,-1.6 -0.873 77.7-177.1-128.5 102.4 12.0 12.0 93.6 9 10 A Y E -ab 176 33A 4 166,-2.7 168,-2.2 -2,-0.5 2,-0.5 -0.866 5.0-166.1-109.5 110.1 13.6 13.2 90.4 10 11 A V E -ab 177 34A 1 23,-2.6 25,-2.3 -2,-0.6 2,-0.4 -0.881 1.9-159.7-107.7 131.6 15.4 10.4 88.4 11 12 A I E - b 0 35A 3 166,-2.4 171,-0.2 -2,-0.5 25,-0.2 -0.867 17.9-121.2-114.5 136.7 17.8 11.3 85.6 12 13 A T - 0 0 1 23,-2.7 2,-0.2 -2,-0.4 7,-0.1 -0.295 24.1-178.7 -70.8 157.9 18.9 8.8 82.9 13 14 A D >> - 0 0 13 4,-0.4 3,-2.4 165,-0.1 4,-2.3 -0.638 13.1-169.8-158.1 95.7 22.5 7.8 82.1 14 15 A R T 34 S+ 0 0 87 23,-0.4 24,-0.1 1,-0.3 -1,-0.0 0.602 85.7 74.1 -64.0 -13.0 23.1 5.4 79.3 15 16 A R T 34 S+ 0 0 187 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.762 114.9 23.2 -62.4 -25.5 26.7 5.1 80.5 16 17 A L T <4 S- 0 0 82 -3,-2.4 -2,-0.2 1,-0.4 -1,-0.1 0.789 137.9 -4.3-106.1 -47.7 25.2 3.1 83.3 17 18 A K S < S- 0 0 25 -4,-2.3 -4,-0.4 4,-0.0 -1,-0.4 -0.994 76.4 -95.5-152.0 146.2 21.9 1.7 82.0 18 19 A P > - 0 0 91 0, 0.0 4,-2.0 0, 0.0 5,-0.3 -0.373 37.9-124.8 -66.6 152.5 19.8 2.0 78.9 19 20 A E H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.900 99.5 46.6 -69.9 -47.6 17.0 4.6 79.2 20 21 A V H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 116.6 43.2 -66.7 -47.5 13.8 2.8 78.4 21 22 A E H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 118.4 44.5 -59.5 -47.2 14.5 -0.3 80.6 22 23 A S H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.874 110.2 53.3 -72.6 -37.7 15.8 1.7 83.5 23 24 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 5,-0.3 0.924 105.9 54.5 -64.5 -40.6 13.1 4.4 83.4 24 25 A R H X S+ 0 0 69 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.950 111.6 44.7 -54.6 -50.9 10.4 1.7 83.6 25 26 A E H X S+ 0 0 72 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.882 113.1 50.4 -60.7 -43.4 12.0 0.2 86.7 26 27 A A H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.5 0.901 111.0 48.8 -64.6 -40.9 12.5 3.7 88.3 27 28 A L H ><5S+ 0 0 6 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.941 110.5 51.2 -63.4 -46.2 8.8 4.5 87.7 28 29 A E H 3<5S+ 0 0 98 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.866 108.4 54.0 -53.1 -37.7 7.8 1.2 89.2 29 30 A G T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 166,-0.2 0.539 130.1 -92.3 -78.4 -8.7 10.0 2.1 92.2 30 31 A G T < 5 + 0 0 15 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.582 61.0 164.7 109.5 14.6 8.1 5.5 92.7 31 32 A A < - 0 0 7 -5,-2.4 -1,-0.2 1,-0.1 -22,-0.2 -0.362 19.8-164.3 -56.2 138.1 10.0 8.1 90.8 32 33 A T S S+ 0 0 18 -24,-2.4 31,-2.1 1,-0.3 2,-0.3 0.632 71.8 25.6-101.5 -18.0 7.8 11.2 90.4 33 34 A A E -bc 9 63A 0 -25,-1.6 -23,-2.6 29,-0.2 2,-0.4 -0.991 65.0-160.3-145.6 144.8 9.8 12.9 87.7 34 35 A I E -bc 10 64A 0 29,-2.4 31,-3.0 -2,-0.3 2,-0.5 -0.983 2.0-161.6-126.8 136.8 12.1 11.6 85.0 35 36 A Q E -bc 11 65A 7 -25,-2.3 -23,-2.7 -2,-0.4 2,-0.7 -0.985 12.0-145.6-119.6 123.5 14.7 13.6 83.0 36 37 A M E + c 0 66A 3 29,-2.6 31,-2.6 -2,-0.5 2,-0.5 -0.779 22.3 178.4 -82.7 116.8 16.1 12.2 79.8 37 38 A R + 0 0 92 -2,-0.7 2,-0.5 29,-0.2 -23,-0.4 -0.915 6.1 167.1-129.1 99.9 19.7 13.3 79.6 38 39 A I - 0 0 22 -2,-0.5 2,-0.4 29,-0.3 3,-0.3 -0.975 15.8-163.6-120.6 123.0 21.5 12.1 76.4 39 40 A K + 0 0 66 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.858 70.0 3.2 -99.1 138.5 24.9 13.3 75.2 40 41 A N S S+ 0 0 136 -2,-0.4 -1,-0.2 1,-0.2 204,-0.0 0.885 88.6 125.6 59.0 49.6 26.1 12.6 71.6 41 42 A A - 0 0 15 -3,-0.3 -1,-0.2 3,-0.0 -3,-0.1 -0.975 65.5 -96.0-126.8 153.1 23.2 10.9 70.0 42 43 A P > - 0 0 40 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.238 33.0-116.0 -61.5 150.0 21.4 11.9 66.7 43 44 A T H > S+ 0 0 2 247,-0.3 4,-2.6 1,-0.2 248,-0.3 0.879 115.2 60.1 -56.4 -36.1 18.3 14.0 67.1 44 45 A R H > S+ 0 0 74 246,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.915 107.0 45.7 -58.5 -43.8 16.2 11.1 65.6 45 46 A E H > S+ 0 0 61 -3,-0.4 4,-2.8 245,-0.3 5,-0.4 0.911 110.5 51.9 -66.6 -46.2 17.3 8.8 68.4 46 47 A M H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.919 112.2 48.9 -54.9 -40.8 16.6 11.4 71.1 47 48 A Y H X S+ 0 0 42 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.937 111.3 47.4 -66.6 -47.9 13.2 11.8 69.6 48 49 A E H X S+ 0 0 105 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.923 116.6 42.8 -63.2 -45.1 12.4 8.1 69.4 49 50 A I H X S+ 0 0 25 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.903 113.1 54.7 -64.7 -41.7 13.5 7.4 73.0 50 51 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.4 -2,-0.2 0.876 104.4 53.0 -59.5 -40.4 11.8 10.6 74.1 51 52 A K H X S+ 0 0 55 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.931 111.1 47.3 -62.6 -44.4 8.5 9.4 72.7 52 53 A T H X S+ 0 0 63 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.932 113.7 46.4 -62.5 -47.3 8.7 6.1 74.6 53 54 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.843 108.1 57.5 -65.7 -30.9 9.6 7.8 77.8 54 55 A R H X S+ 0 0 11 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.929 109.9 45.0 -61.5 -45.7 6.8 10.3 77.3 55 56 A Q H X S+ 0 0 150 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.934 114.1 48.7 -63.0 -47.8 4.4 7.4 77.1 56 57 A L H X S+ 0 0 21 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.923 110.0 50.4 -59.1 -50.1 5.9 5.6 80.1 57 58 A T H ><>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 3,-0.7 0.926 109.0 52.0 -57.7 -43.5 5.9 8.7 82.3 58 59 A R H ><5S+ 0 0 129 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.897 104.0 58.2 -60.4 -36.6 2.2 9.3 81.5 59 60 A E H 3<5S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.798 114.5 37.0 -62.8 -31.0 1.4 5.8 82.5 60 61 A Y T <<5S- 0 0 64 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.276 112.1-116.8-103.7 9.6 2.8 6.4 85.9 61 62 A D T < 5 + 0 0 112 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.884 66.9 146.8 56.0 38.7 1.5 10.1 86.2 62 63 A A < - 0 0 5 -5,-2.7 -29,-0.2 -6,-0.2 -1,-0.2 -0.793 52.2-111.2-104.7 149.2 5.1 11.3 86.4 63 64 A L E -c 33 0A 29 -31,-2.1 -29,-2.4 -2,-0.3 2,-0.4 -0.491 28.5-149.0 -72.0 148.9 6.6 14.5 85.0 64 65 A F E +c 34 0A 0 -31,-0.2 15,-1.8 -2,-0.2 16,-1.5 -0.983 17.2 177.0-129.3 121.0 9.0 14.2 82.0 65 66 A F E -cd 35 80A 0 -31,-3.0 -29,-2.6 -2,-0.4 2,-0.4 -0.898 18.8-145.9-120.3 150.8 11.8 16.6 81.4 66 67 A V E -cd 36 81A 4 14,-1.8 16,-2.1 -2,-0.3 2,-0.3 -0.969 23.4-123.5-112.5 133.4 14.5 16.7 78.7 67 68 A D E S- d 0 82A 36 -31,-2.6 2,-2.7 -2,-0.4 -29,-0.3 -0.611 78.4 -30.1 -73.4 128.1 18.0 18.0 79.6 68 69 A D S S+ 0 0 33 14,-3.3 2,-0.9 -2,-0.3 20,-0.3 -0.335 107.5 102.5 75.1 -63.2 19.1 21.0 77.3 69 70 A R > + 0 0 23 -2,-2.7 4,-2.3 1,-0.2 5,-0.1 -0.402 36.4 173.6 -79.0 98.4 17.2 20.1 74.1 70 71 A V H > S+ 0 0 1 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.838 82.4 58.1 -66.4 -34.2 14.1 22.3 73.7 71 72 A D H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.948 109.7 43.3 -60.0 -48.7 13.5 20.8 70.2 72 73 A V H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 6,-0.2 0.938 112.5 52.8 -63.8 -46.3 13.4 17.3 71.6 73 74 A A H X>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 4,-0.5 0.916 113.9 43.4 -54.8 -46.5 11.2 18.5 74.5 74 75 A L H ><5S+ 0 0 45 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.937 112.3 52.2 -66.1 -45.5 8.7 20.1 72.1 75 76 A A H 3<5S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.841 117.4 37.7 -63.7 -35.3 8.7 17.2 69.6 76 77 A V H 3<5S- 0 0 5 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.391 109.7-119.6 -97.6 5.8 7.9 14.5 72.4 77 78 A D T <<5 + 0 0 99 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.871 46.5 179.6 55.0 43.2 5.5 16.8 74.3 78 79 A A < - 0 0 4 -5,-2.3 -13,-0.2 -6,-0.2 -1,-0.1 -0.289 38.4-120.8 -63.6 158.3 7.6 16.7 77.4 79 80 A D S S- 0 0 45 -15,-1.8 22,-2.5 1,-0.1 2,-0.3 0.801 81.7 -27.6 -68.7 -30.7 6.4 18.6 80.5 80 81 A G E -de 65 101A 0 -16,-1.5 -14,-1.8 20,-0.3 2,-0.3 -0.952 53.6-112.2-167.8-176.1 9.6 20.6 80.5 81 82 A V E -de 66 102A 0 20,-2.3 22,-2.8 -2,-0.3 2,-0.5 -0.977 20.4-135.8-136.3 144.1 13.3 21.2 79.8 82 83 A Q E -de 67 103A 8 -16,-2.1 -14,-3.3 -2,-0.3 2,-0.4 -0.916 25.3-164.5-100.8 131.6 16.3 21.6 82.2 83 84 A L E + e 0 104A 5 20,-2.9 22,-2.5 -2,-0.5 7,-0.1 -0.977 9.6 178.9-127.8 129.8 18.7 24.4 81.3 84 85 A G > - 0 0 12 -2,-0.4 3,-2.2 20,-0.2 22,-0.1 -0.491 51.3 -77.4-114.4-178.1 22.2 25.0 82.4 85 86 A P T 3 S+ 0 0 55 0, 0.0 21,-0.0 0, 0.0 -2,-0.0 0.711 129.0 48.1 -56.4 -27.1 24.9 27.7 81.7 86 87 A E T 3 S+ 0 0 72 162,-0.1 162,-2.6 2,-0.1 163,-0.4 0.285 103.7 80.6 -95.2 8.8 25.9 26.0 78.3 87 88 A D S < S- 0 0 17 -3,-2.2 -4,-0.1 160,-0.2 3,-0.1 -0.390 97.6 -56.0-108.0-177.7 22.3 25.7 77.1 88 89 A M - 0 0 11 -20,-0.3 -1,-0.2 -2,-0.1 160,-0.1 -0.324 67.9 -99.7 -54.8 135.2 19.7 28.0 75.6 89 90 A P >> - 0 0 10 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.334 30.1-119.3 -57.9 144.1 19.1 31.1 77.8 90 91 A I H 3> S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 111.8 51.3 -52.5 -47.0 16.0 30.9 79.9 91 92 A E H 3> S+ 0 0 94 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.852 111.5 47.6 -65.0 -32.1 14.3 33.9 78.3 92 93 A V H <> S+ 0 0 16 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.896 110.1 51.7 -74.7 -44.4 14.9 32.5 74.8 93 94 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.910 109.1 51.5 -55.9 -43.3 13.6 29.1 75.7 94 95 A K H < S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.849 108.9 52.1 -64.0 -35.0 10.5 30.6 77.2 95 96 A E H < S+ 0 0 159 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.920 117.3 35.4 -66.8 -45.5 9.9 32.6 74.0 96 97 A I H < S+ 0 0 36 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.699 131.9 29.9 -84.5 -16.7 10.2 29.6 71.7 97 98 A A >< + 0 0 1 -4,-2.0 3,-1.5 -5,-0.2 -1,-0.2 -0.560 67.3 167.2-141.8 66.7 8.5 27.1 74.0 98 99 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.641 74.2 53.0 -66.0 -16.5 6.0 29.0 76.1 99 100 A N T 3 S+ 0 0 159 2,-0.1 2,-0.2 -19,-0.0 -5,-0.1 0.521 86.1 102.7 -94.3 -6.2 4.2 26.0 77.5 100 101 A L S < S- 0 0 14 -3,-1.5 2,-0.4 -7,-0.2 -20,-0.3 -0.530 73.8-122.5 -78.5 141.6 7.3 24.1 78.8 101 102 A I E -e 80 0A 40 -22,-2.5 -20,-2.3 -2,-0.2 2,-0.6 -0.686 30.5-141.6 -73.8 133.3 8.2 24.0 82.5 102 103 A I E -e 81 0A 0 -2,-0.4 19,-2.7 17,-0.2 20,-1.6 -0.893 17.1-171.4-106.9 117.7 11.7 25.4 82.8 103 104 A G E -ef 82 122A 0 -22,-2.8 -20,-2.9 -2,-0.6 2,-0.5 -0.885 12.1-150.9 -99.3 142.1 14.2 24.0 85.3 104 105 A A E -ef 83 123A 3 18,-2.1 20,-3.1 -2,-0.4 2,-0.6 -0.961 8.2-140.8-116.5 128.3 17.4 25.8 85.8 105 106 A S E - f 0 124A 28 -22,-2.5 2,-0.4 -2,-0.5 20,-0.2 -0.748 32.0-179.2 -85.2 118.8 20.7 24.1 86.8 106 107 A V E - f 0 125A 4 18,-2.5 20,-2.0 -2,-0.6 3,-0.1 -0.960 27.3-176.9-130.5 143.7 22.4 26.5 89.3 107 108 A Y S S+ 0 0 52 -2,-0.4 2,-0.3 18,-0.2 3,-0.1 0.134 70.1 28.7-129.4 18.5 25.7 26.2 91.1 108 109 A S S > S- 0 0 39 1,-0.1 4,-2.5 33,-0.0 5,-0.1 -0.965 82.2-102.7-167.8 161.1 25.7 29.3 93.4 109 110 A L H > S+ 0 0 61 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.910 121.2 52.5 -56.6 -46.8 23.3 31.7 95.1 110 111 A E H > S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 110.1 48.4 -56.5 -45.5 23.8 34.3 92.4 111 112 A E H > S+ 0 0 53 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.910 110.8 52.3 -62.2 -42.3 22.9 31.8 89.7 112 113 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.942 112.3 43.5 -57.4 -49.2 19.8 30.7 91.8 113 114 A L H X S+ 0 0 64 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.900 114.4 50.2 -67.2 -38.7 18.5 34.3 92.1 114 115 A E H X S+ 0 0 37 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.928 110.4 49.7 -66.4 -46.2 19.2 35.1 88.4 115 116 A A H X>S+ 0 0 6 -4,-2.9 5,-2.3 1,-0.2 4,-0.6 0.927 112.4 47.2 -60.7 -43.9 17.5 32.0 87.2 116 117 A E H ><5S+ 0 0 50 -4,-2.3 3,-1.4 3,-0.2 -2,-0.2 0.939 110.9 52.5 -59.4 -44.8 14.4 32.8 89.4 117 118 A K H 3<5S+ 0 0 193 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.893 106.3 53.4 -59.0 -39.8 14.5 36.4 88.1 118 119 A K H 3<5S- 0 0 95 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.553 128.6 -97.5 -73.1 -11.5 14.5 35.1 84.5 119 120 A G T <<5 + 0 0 27 -3,-1.4 -17,-0.2 -4,-0.6 -3,-0.2 0.653 58.4 169.5 103.7 22.2 11.4 33.0 85.2 120 121 A A < - 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0 0 14 -4,-2.1 4,-0.1 -5,-0.1 -36,-0.1 -0.643 54.9-157.5-102.5 160.8 9.6 16.7 41.9 354 154 B K S S+ 0 0 98 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.523 70.1 85.2-109.3 -15.4 7.9 20.1 41.8 355 155 B I S S- 0 0 33 1,-0.1 -29,-0.2 -31,-0.0 -2,-0.1 -0.518 96.2 -78.0 -82.6 158.5 9.6 21.7 44.8 356 156 B P - 0 0 11 0, 0.0 -29,-2.6 0, 0.0 2,-0.5 -0.230 44.0-150.8 -61.5 150.5 13.0 23.3 44.5 357 157 B V E -o 327 0B 3 -31,-0.2 20,-2.6 18,-0.2 21,-1.1 -0.982 8.7-167.0-128.5 122.8 16.1 21.2 44.3 358 158 B V E -op 328 378B 2 -31,-3.5 -29,-2.4 -2,-0.5 21,-0.2 -0.938 20.4-136.2-106.5 122.6 19.5 22.1 45.5 359 159 B A E +op 329 379B 0 19,-2.6 21,-3.1 -2,-0.5 2,-0.3 -0.538 27.8 179.0 -74.5 145.7 22.4 19.9 44.4 360 160 B I E + p 0 380B 46 -31,-2.3 -28,-2.2 -2,-0.2 -29,-0.5 -0.998 28.4 74.5-146.7 149.2 25.0 18.9 46.9 361 161 B G S S- 0 0 7 19,-0.6 -28,-1.6 -2,-0.3 -1,-0.1 0.575 100.7 -8.4 119.4 100.9 28.2 16.8 47.2 362 162 B G S S+ 0 0 35 1,-0.2 2,-0.3 -30,-0.1 5,-0.1 0.689 83.4 158.9 69.6 21.5 31.6 17.5 45.9 363 163 B I + 0 0 7 17,-0.4 21,-0.4 -30,-0.1 19,-0.3 -0.609 5.2 148.0 -84.2 133.9 30.5 20.5 43.9 364 164 B N >> - 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0 0 3 -5,-0.6 -1,-0.2 1,-0.1 -18,-0.2 -0.190 47.6-134.7 -58.0 160.1 18.4 22.1 39.7 377 177 B D S S- 0 0 33 -20,-2.6 2,-0.3 1,-0.2 -19,-0.2 0.513 79.3 -3.1 -91.6 -15.2 17.5 25.5 41.2 378 178 B G E - p 0 358B 0 -21,-1.1 -19,-2.6 -166,-0.0 2,-0.4 -0.984 59.5-123.4-166.6 164.0 20.7 25.8 43.1 379 179 B I E -ip 212 359B 0 -168,-2.1 -166,-2.7 -2,-0.3 2,-0.5 -0.983 18.8-150.8-118.5 136.9 24.1 24.3 44.1 380 180 B A E -ip 213 360B 4 -21,-3.1 -19,-0.6 -2,-0.4 -17,-0.4 -0.931 18.9-177.0-104.5 136.2 25.2 23.8 47.7 381 181 B V E +i 214 0B 3 -168,-2.3 -166,-2.2 -2,-0.5 -17,-0.1 -0.925 21.9 161.0-133.8 147.7 28.9 24.0 48.5 382 182 B I S >> S+ 0 0 47 -2,-0.3 4,-3.0 -19,-0.3 3,-1.3 0.419 81.7 28.3-122.8 -80.1 31.1 23.5 51.5 383 183 B S H 3> S+ 0 0 83 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.794 111.6 65.2 -58.5 -38.7 34.7 22.8 50.7 384 184 B A H 34 S+ 0 0 30 -21,-0.4 -1,-0.3 2,-0.1 -19,-0.1 0.799 122.3 18.3 -58.0 -30.3 34.8 24.7 47.4 385 185 B V H X4 S+ 0 0 0 -3,-1.3 3,-1.3 -170,-0.1 -2,-0.2 0.812 128.2 46.8-104.9 -53.3 34.1 28.0 49.3 386 186 B M H 3< S+ 0 0 0 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.1 0.786 115.9 45.9 -67.5 -26.9 35.0 27.3 53.0 387 187 B G T 3< S+ 0 0 43 -4,-1.7 -1,-0.3 -5,-0.4 -3,-0.1 0.357 90.3 113.7 -96.0 2.9 38.4 25.6 52.2 388 188 B A S < S- 0 0 21 -3,-1.3 3,-0.3 1,-0.1 4,-0.1 -0.413 71.7-131.3 -76.7 152.1 39.4 28.3 49.7 389 189 B E S S+ 0 0 113 1,-0.3 2,-0.5 -2,-0.1 -1,-0.1 0.855 108.7 32.1 -65.5 -32.6 42.4 30.6 50.2 390 190 B D S > S- 0 0 78 1,-0.1 4,-2.5 2,-0.0 -1,-0.3 -0.896 73.7-173.4-128.9 93.3 40.1 33.5 49.2 391 191 B V H > S+ 0 0 10 -2,-0.5 4,-2.2 -3,-0.3 5,-0.2 0.901 83.9 48.9 -57.6 -47.6 36.5 32.7 50.3 392 192 B R H > S+ 0 0 97 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.927 112.2 48.2 -61.6 -44.9 34.9 35.7 48.7 393 193 B K H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.927 110.5 52.2 -63.9 -41.8 36.7 35.1 45.3 394 194 B A H X S+ 0 0 9 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.906 111.7 46.9 -57.3 -43.2 35.7 31.4 45.4 395 195 B T H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.915 109.6 52.8 -65.6 -44.2 32.1 32.4 46.0 396 196 B E H X S+ 0 0 84 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.901 107.5 53.0 -57.0 -41.3 32.2 35.0 43.2 397 197 B E H X S+ 0 0 64 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.901 113.0 43.3 -63.1 -42.5 33.5 32.4 40.8 398 198 B L H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.900 110.5 54.1 -71.2 -39.7 30.6 30.1 41.6 399 199 B R H X S+ 0 0 68 -4,-2.9 4,-2.7 -166,-0.2 -2,-0.2 0.872 105.7 54.6 -62.8 -36.3 27.9 32.8 41.6 400 200 B K H X S+ 0 0 129 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.940 109.8 46.6 -61.8 -46.7 29.1 33.8 38.0 401 201 B I H X S+ 0 0 19 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.917 111.7 51.1 -61.7 -47.4 28.6 30.2 36.8 402 202 B V H X>S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.5 0.946 112.3 46.3 -54.7 -48.1 25.2 30.0 38.5 403 203 B E H X5S+ 0 0 67 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.877 113.1 51.5 -61.2 -38.3 24.1 33.3 36.8 404 204 B E H <5S+ 0 0 93 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.944 118.9 33.3 -65.2 -49.4 25.4 32.0 33.5 405 205 B V H <5S+ 0 0 45 -4,-2.9 -2,-0.2 1,-0.1 -3,-0.2 0.903 127.5 35.9 -77.3 -41.9 23.6 28.7 33.6 406 206 B L H <5 0 0 67 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.805 360.0 360.0 -85.1 -31.8 20.4 29.7 35.4 407 207 B G << 0 0 103 -4,-1.6 -1,-0.1 -5,-0.5 -2,-0.1 -0.086 360.0 360.0 79.3 360.0 19.9 33.2 34.0