==== 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 08-DEC-09 2X0D . COMPND 2 MOLECULE: WSAF; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR K.STEINER,G.HAGELUEKEN,J.H.NAISMITH . 756 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 2.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 83 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 3 2 0 2 1 0 6 1 0 0 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 5 6 6 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 . 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 26 A F 0 0 223 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.6 7.6 60.3 59.8 2 27 A I - 0 0 67 1,-0.0 2,-0.3 641,-0.0 605,-0.0 -0.772 360.0 -88.2 -96.4 154.2 7.2 56.8 58.4 3 28 A E + 0 0 70 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 -0.494 59.8 155.9 -64.1 119.6 8.0 53.8 60.6 4 29 A T + 0 0 38 -2,-0.3 2,-0.2 1,-0.3 614,-0.2 0.742 56.1 22.4-111.0 -54.1 11.8 53.2 60.2 5 30 A S S S- 0 0 54 612,-0.1 -1,-0.3 613,-0.1 610,-0.1 -0.694 73.6-112.1-121.2 172.9 13.0 51.3 63.3 6 31 A I > - 0 0 5 -2,-0.2 3,-1.3 608,-0.2 4,-0.0 -0.897 16.7-164.7-113.5 107.5 11.6 49.2 66.1 7 32 A P G > S+ 0 0 80 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.826 85.1 66.9 -62.6 -33.0 11.6 50.7 69.6 8 33 A E G 3 S+ 0 0 48 1,-0.3 112,-0.1 112,-0.0 -2,-0.0 0.758 103.0 47.7 -59.4 -24.9 10.9 47.4 71.4 9 34 A I G < S+ 0 0 21 -3,-1.3 -1,-0.3 111,-0.1 3,-0.1 0.140 70.6 148.9-110.8 19.6 14.4 46.2 70.3 10 35 A T < - 0 0 63 -3,-1.7 111,-0.0 1,-0.1 -5,-0.0 -0.315 65.3 -88.4 -46.2 128.0 16.6 49.1 71.2 11 36 A P - 0 0 86 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.068 33.3-148.9 -51.0 147.7 20.0 47.5 72.0 12 37 A F - 0 0 22 -3,-0.1 2,-0.2 109,-0.1 90,-0.1 -0.813 23.1-163.2-122.9 80.2 20.4 46.4 75.6 13 38 A N - 0 0 81 -2,-0.6 90,-1.5 88,-0.4 2,-0.3 -0.464 6.6-167.4 -83.4 142.0 24.1 46.8 76.2 14 39 A A E -a 103 0A 18 88,-0.3 2,-0.3 -2,-0.2 -1,-0.0 -0.738 10.2-160.5-118.2 163.6 26.1 45.2 79.0 15 40 A R E -a 104 0A 67 88,-1.8 90,-3.1 -2,-0.3 2,-0.1 -0.900 36.9 -92.2-132.8 163.5 29.5 45.5 80.6 16 41 A T E -a 105 0A 77 -2,-0.3 2,-0.3 88,-0.2 90,-0.2 -0.334 36.7-158.9 -77.7 162.3 31.3 43.0 82.8 17 42 A S - 0 0 16 88,-0.7 90,-0.4 2,-0.1 68,-0.0 -0.934 24.4-138.6-138.7 158.0 31.1 42.8 86.6 18 43 A S + 0 0 103 -2,-0.3 -1,-0.0 88,-0.1 88,-0.0 0.552 60.2 130.0 -89.7 -13.6 33.2 41.3 89.4 19 44 A I - 0 0 17 1,-0.1 88,-0.5 88,-0.0 89,-0.4 -0.173 42.2-161.7 -52.3 134.6 30.1 40.2 91.4 20 45 A K + 0 0 168 86,-0.1 -1,-0.1 87,-0.1 3,-0.1 0.824 49.0 67.6 -98.9 -41.4 30.5 36.5 92.4 21 46 A G S S- 0 0 27 1,-0.1 2,-0.4 86,-0.0 87,-0.3 -0.014 90.0 -76.3 -81.3-175.8 27.3 34.7 93.3 22 47 A K - 0 0 98 32,-0.3 34,-2.0 87,-0.1 2,-0.4 -0.696 50.8-171.8 -77.6 130.6 24.2 33.6 91.5 23 48 A R E -bc 56 109B 2 85,-1.4 87,-2.9 -2,-0.4 2,-0.4 -0.983 16.1-144.2-131.5 122.4 22.0 36.5 90.9 24 49 A L E -bc 57 110B 0 32,-2.5 34,-2.6 -2,-0.4 2,-0.6 -0.730 14.7-160.7 -85.0 130.2 18.4 36.4 89.5 25 50 A N E -bc 58 111B 0 85,-2.8 87,-2.8 -2,-0.4 2,-0.7 -0.917 2.2-159.2-118.0 104.7 17.5 39.3 87.2 26 51 A L E -bc 59 112B 0 32,-2.2 34,-2.5 -2,-0.6 2,-0.7 -0.729 7.2-155.5 -86.3 114.3 13.8 40.0 86.6 27 52 A L E +b 60 0B 0 85,-2.8 87,-0.4 -2,-0.7 88,-0.3 -0.822 24.5 164.2 -89.4 114.4 13.3 42.1 83.4 28 53 A V E -b 61 0B 0 32,-2.1 34,-2.3 -2,-0.7 35,-0.4 -0.995 42.5-134.2-131.5 140.8 10.1 44.0 83.6 29 54 A P S S- 0 0 16 0, 0.0 34,-2.1 0, 0.0 35,-2.1 0.886 86.3 -10.6 -53.9 -42.3 8.7 47.0 81.6 30 55 A S - 0 0 3 33,-0.2 35,-0.1 32,-0.1 30,-0.0 -0.991 35.3-162.0-157.9 152.6 7.6 48.8 84.7 31 56 A I + 0 0 0 -2,-0.3 2,-0.2 33,-0.3 5,-0.1 0.097 53.4 133.4-119.8 15.7 7.0 48.6 88.5 32 57 A N >> - 0 0 8 1,-0.1 3,-2.1 32,-0.1 4,-0.5 -0.482 63.6-133.2 -65.6 132.7 4.7 51.7 88.5 33 58 A Q G >4 S+ 0 0 113 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.887 110.3 68.2 -52.8 -40.7 1.5 51.1 90.5 34 59 A E G 34 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.0 -2,-0.0 0.791 110.6 31.1 -34.0 -44.9 0.0 52.8 87.4 35 60 A H G <4 S+ 0 0 80 -3,-2.1 2,-2.9 1,-0.1 5,-0.3 0.286 83.1 122.2-108.6 7.1 1.0 49.6 85.5 36 61 A X << + 0 0 42 -3,-1.4 2,-0.2 -4,-0.5 -3,-0.1 -0.323 46.0 121.8 -71.9 60.9 0.6 47.1 88.3 37 62 A F S >> S- 0 0 99 -2,-2.9 4,-2.0 4,-0.0 3,-0.6 -0.635 73.7 -45.0-110.2 172.6 -2.0 45.0 86.4 38 63 A G H 3> S+ 0 0 44 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.467 124.2 31.3 15.8 -99.4 -2.1 41.3 85.4 39 64 A G H 3> S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.872 122.2 43.8 -56.0 -51.3 1.3 40.2 83.9 40 65 A I H <> S+ 0 0 29 -3,-0.6 4,-2.3 -5,-0.3 -1,-0.2 0.910 114.0 51.5 -66.7 -42.6 3.7 42.4 85.9 41 66 A S H X S+ 0 0 53 -4,-2.0 4,-1.5 -6,-0.2 -1,-0.2 0.874 112.5 46.6 -60.5 -41.0 1.9 41.8 89.2 42 67 A T H X S+ 0 0 25 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.918 110.3 51.9 -67.2 -45.5 2.0 38.0 88.5 43 68 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.905 110.6 49.0 -58.4 -42.4 5.7 38.1 87.5 44 69 A L H X S+ 0 0 22 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.875 110.3 50.1 -65.7 -37.4 6.6 39.9 90.8 45 70 A K H < S+ 0 0 124 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.933 114.4 45.3 -66.4 -44.3 4.6 37.5 92.9 46 71 A L H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 4,-0.4 0.926 111.1 51.8 -62.4 -49.9 6.4 34.6 91.2 47 72 A F H >< S+ 0 0 6 -4,-3.1 3,-1.3 1,-0.3 -1,-0.2 0.851 102.5 61.9 -55.7 -38.2 9.9 36.3 91.5 48 73 A E T 3< S+ 0 0 117 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.693 93.5 64.5 -60.9 -22.6 9.1 36.7 95.2 49 74 A Q T < S+ 0 0 89 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.654 77.5 102.1 -76.4 -19.8 9.0 32.9 95.6 50 75 A F S < S- 0 0 1 -3,-1.3 2,-0.5 -4,-0.4 324,-0.1 -0.487 89.4-101.0 -70.1 139.9 12.6 32.4 94.7 51 76 A D >> - 0 0 48 1,-0.2 4,-1.6 -2,-0.2 3,-1.1 -0.490 26.8-161.6 -71.8 113.3 14.8 31.9 97.8 52 77 A N T 34 S+ 0 0 94 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 0.750 91.1 61.7 -62.1 -27.4 16.6 35.1 98.8 53 78 A K T 34 S+ 0 0 195 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.738 112.2 36.8 -70.7 -23.8 19.0 33.0 100.9 54 79 A K T <4 S+ 0 0 122 -3,-1.1 2,-0.4 1,-0.2 -32,-0.3 0.679 121.9 37.0-103.2 -23.1 20.1 31.2 97.7 55 80 A F < - 0 0 13 -4,-1.6 -1,-0.2 -34,-0.1 -32,-0.2 -0.995 67.1-134.1-136.1 134.5 20.0 34.0 95.1 56 81 A K E -b 23 0B 50 -34,-2.0 -32,-2.5 -2,-0.4 2,-0.4 -0.419 35.5-140.1 -69.0 162.8 20.8 37.7 95.0 57 82 A K E +bd 24 90B 4 32,-2.4 34,-1.8 -34,-0.2 2,-0.4 -0.992 24.8 175.0-142.3 130.8 18.0 39.6 93.3 58 83 A R E -bd 25 91B 2 -34,-2.6 -32,-2.2 -2,-0.4 2,-0.6 -0.997 15.8-154.6-137.4 131.7 17.9 42.5 90.8 59 84 A I E -bd 26 92B 1 32,-2.3 34,-3.0 -2,-0.4 2,-0.6 -0.927 12.5-159.1-103.4 123.6 14.9 44.0 89.0 60 85 A I E -bd 27 93B 0 -34,-2.5 -32,-2.1 -2,-0.6 2,-0.6 -0.910 9.2-144.5-105.8 118.6 15.8 45.7 85.8 61 86 A L E +bd 28 94B 0 32,-2.9 34,-2.1 -2,-0.6 -31,-0.1 -0.739 20.0 178.1 -87.1 120.3 13.2 48.3 84.5 62 87 A T S S+ 0 0 4 -34,-2.3 -1,-0.1 -2,-0.6 -32,-0.1 0.693 71.3 16.1 -96.5 -22.0 13.0 48.2 80.7 63 88 A D S S+ 0 0 78 -34,-2.1 2,-0.3 -35,-0.4 -33,-0.2 0.703 118.6 24.7-125.8 -35.5 10.3 50.8 79.8 64 89 A A - 0 0 23 -35,-2.1 -1,-0.3 33,-0.0 -33,-0.3 -0.997 61.4-132.4-143.7 143.9 9.4 53.2 82.6 65 90 A T - 0 0 68 -2,-0.3 2,-0.1 -35,-0.1 -35,-0.0 -0.718 31.8-116.5 -94.6 147.1 11.0 54.6 85.7 66 91 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.351 13.8-122.3 -83.1 159.0 9.1 54.7 89.1 67 92 A N > - 0 0 80 1,-0.1 4,-1.9 -2,-0.1 5,-0.1 -0.435 34.7-108.3 -75.3 163.7 7.9 57.5 91.4 68 93 A P H > S+ 0 0 112 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.876 127.6 56.6 -55.4 -38.5 9.1 57.7 95.0 69 94 A K H >4 S+ 0 0 179 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.929 104.7 50.6 -55.5 -50.0 5.5 56.6 95.6 70 95 A D H >4 S+ 0 0 8 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.888 104.7 56.3 -56.7 -43.3 6.0 53.6 93.4 71 96 A L H >< S+ 0 0 41 -4,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.632 85.8 82.9 -69.9 -13.5 9.2 52.5 95.3 72 97 A Q G X< S+ 0 0 126 -3,-1.1 3,-0.6 -4,-0.7 -1,-0.3 0.763 86.7 55.1 -61.4 -28.5 7.3 52.4 98.6 73 98 A S G < S+ 0 0 71 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.379 109.0 50.3 -86.4 6.2 6.1 48.9 97.8 74 99 A F G X + 0 0 26 -3,-1.8 3,-1.2 3,-0.1 -1,-0.2 -0.359 66.8 142.8-132.9 51.2 9.7 47.8 97.3 75 100 A K T < + 0 0 166 -3,-0.6 -2,-0.1 1,-0.3 -1,-0.1 0.819 68.4 57.6 -64.5 -34.4 11.2 49.1 100.5 76 101 A S T 3 S+ 0 0 87 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.601 95.4 84.1 -73.8 -11.6 13.6 46.2 101.0 77 102 A F S < S- 0 0 40 -3,-1.2 2,-0.4 -6,-0.2 14,-0.3 -0.705 76.1-129.9 -97.1 145.3 15.2 46.9 97.6 78 103 A K E -e 91 0B 120 12,-2.0 14,-3.1 -2,-0.3 2,-0.7 -0.777 16.3-135.8 -93.0 131.8 18.0 49.4 96.8 79 104 A Y E +e 92 0B 81 -2,-0.4 2,-0.4 12,-0.2 14,-0.2 -0.826 34.9 176.1 -92.8 119.2 17.4 51.8 93.9 80 105 A V - 0 0 4 12,-2.6 11,-0.0 -2,-0.7 -2,-0.0 -0.963 29.5-122.8-135.2 134.5 20.7 52.0 92.0 81 106 A X > - 0 0 69 -2,-0.4 3,-1.1 12,-0.2 14,-0.1 -0.380 26.8-121.3 -72.8 154.0 21.8 53.7 88.7 82 107 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 13,-0.1 0.762 110.6 66.5 -71.5 -21.9 23.2 51.5 85.9 83 108 A E T 3 S+ 0 0 105 20,-0.1 2,-0.1 2,-0.0 20,-0.1 0.717 94.9 77.5 -63.3 -23.6 26.5 53.4 86.0 84 109 A E < - 0 0 73 -3,-1.1 2,-0.2 2,-0.0 -4,-0.1 -0.429 63.7-162.2 -85.3 161.7 27.0 51.9 89.5 85 110 A D + 0 0 68 -2,-0.1 2,-0.4 18,-0.1 -67,-0.1 -0.724 24.0 161.6-147.5 91.1 28.0 48.3 90.3 86 111 A K - 0 0 99 -2,-0.2 2,-1.5 2,-0.0 -2,-0.0 -0.927 41.9-131.0-123.4 137.8 27.2 47.3 93.8 87 112 A D + 0 0 90 -2,-0.4 2,-0.1 -31,-0.0 -67,-0.0 -0.264 47.8 156.5 -86.1 52.1 26.9 43.9 95.4 88 113 A F - 0 0 72 -2,-1.5 -31,-0.2 1,-0.1 3,-0.2 -0.450 47.3-135.7 -71.6 148.1 23.5 44.4 97.2 89 114 A A S S+ 0 0 65 1,-0.3 -32,-2.4 -33,-0.1 2,-0.4 0.862 95.8 24.7 -67.8 -36.4 21.3 41.4 98.0 90 115 A L E S+d 57 0B 43 -34,-0.2 -12,-2.0 -14,-0.2 2,-0.3 -0.987 78.1 151.7-137.6 123.2 18.3 43.3 96.7 91 116 A Q E -de 58 78B 5 -34,-1.8 -32,-2.3 -2,-0.4 2,-0.4 -0.985 30.5-147.1-151.3 158.3 18.3 46.1 94.1 92 117 A I E -de 59 79B 2 -14,-3.1 -12,-2.6 -2,-0.3 -32,-0.2 -0.994 16.7-166.0-127.0 132.6 16.3 47.8 91.3 93 118 A V E -d 60 0B 2 -34,-3.0 -32,-2.9 -2,-0.4 2,-0.4 -0.974 14.5-140.0-126.9 121.9 17.9 49.4 88.3 94 119 A P E +d 61 0B 11 0, 0.0 -32,-0.1 0, 0.0 -29,-0.1 -0.661 33.7 155.7 -79.2 130.9 16.2 51.8 85.8 95 120 A F + 0 0 1 -34,-2.1 3,-0.1 -2,-0.4 -35,-0.0 -0.214 32.8 110.7-153.6 45.2 17.3 51.0 82.2 96 121 A N S S+ 0 0 61 1,-0.2 2,-0.6 -33,-0.1 -34,-0.1 0.509 79.4 57.8 -96.9 -10.7 14.6 52.4 79.9 97 122 A D + 0 0 97 1,-0.1 -1,-0.2 -33,-0.0 -34,-0.1 -0.921 69.3 150.7-118.3 98.9 16.9 55.1 78.6 98 123 A R > + 0 0 20 -2,-0.6 3,-2.7 -3,-0.1 -85,-0.2 0.515 9.9 134.6-114.7 -13.6 19.7 52.9 77.3 99 124 A Y T 3 S- 0 0 189 1,-0.3 3,-0.1 -87,-0.1 -87,-0.0 -0.237 91.9 -12.6 -56.4 121.1 21.4 54.7 74.5 100 125 A N T 3 S+ 0 0 134 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.690 116.0 109.5 62.1 20.9 25.2 54.5 74.9 101 126 A R < - 0 0 76 -3,-2.7 -88,-0.4 -6,-0.0 2,-0.3 -0.884 52.0-155.4-120.0 156.0 24.7 53.3 78.5 102 127 A T - 0 0 43 -2,-0.3 -88,-0.3 -3,-0.1 -89,-0.0 -0.848 9.6-138.9-126.2 164.9 25.4 49.8 79.8 103 128 A I E -a 14 0A 0 -90,-1.5 -88,-1.8 -2,-0.3 2,-0.4 -0.960 33.5-108.1-118.9 140.1 24.2 47.7 82.7 104 129 A P E -a 15 0A 3 0, 0.0 2,-0.5 0, 0.0 -88,-0.2 -0.580 35.3-169.6 -70.8 123.6 26.7 45.5 84.7 105 130 A V E -a 16 0A 0 -90,-3.1 -88,-0.7 -2,-0.4 2,-0.1 -0.960 8.6-149.0-120.3 116.8 26.2 41.8 83.9 106 131 A A > - 0 0 0 -2,-0.5 3,-1.6 -90,-0.2 -88,-0.1 -0.299 28.4-105.4 -80.3 161.8 28.0 39.2 86.1 107 132 A K T 3 S+ 0 0 91 -88,-0.5 -87,-0.1 -90,-0.4 26,-0.1 0.902 121.7 34.8 -49.8 -49.9 29.3 35.8 85.0 108 133 A H T 3 S+ 0 0 72 -89,-0.4 -85,-1.4 -87,-0.3 2,-0.5 -0.004 82.1 138.9-103.3 28.2 26.4 34.0 86.8 109 134 A D E < -c 23 0B 0 -3,-1.6 2,-0.4 -87,-0.2 -85,-0.2 -0.636 37.6-159.3 -67.7 123.2 23.7 36.6 86.2 110 135 A I E -c 24 0B 6 -87,-2.9 -85,-2.8 -2,-0.5 2,-0.4 -0.902 5.8-140.1-108.7 136.5 20.6 34.7 85.3 111 136 A F E -c 25 0B 2 28,-0.5 30,-2.8 -2,-0.4 2,-0.5 -0.813 13.3-167.0-108.2 138.6 17.7 36.4 83.4 112 137 A I E -cf 26 141B 1 -87,-2.8 -85,-2.8 -2,-0.4 30,-0.2 -0.977 18.9-159.5-119.7 112.1 13.9 36.1 83.9 113 138 A A E + f 0 142B 0 28,-2.9 30,-2.5 -2,-0.5 3,-0.1 -0.592 20.5 167.8 -93.7 152.1 12.0 37.6 81.0 114 139 A T + 0 0 8 1,-0.5 31,-0.3 -87,-0.4 -1,-0.2 0.496 63.5 43.2-121.6 -81.4 8.4 38.8 81.0 115 140 A A S >> S- 0 0 9 -88,-0.3 4,-1.5 1,-0.1 3,-1.3 -0.379 91.6-109.7 -69.8 148.5 7.3 40.8 78.0 116 141 A W H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.829 118.4 54.6 -51.9 -39.4 8.6 39.5 74.7 117 142 A W H 3> S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.802 104.2 55.0 -68.4 -28.5 11.0 42.4 74.2 118 143 A T H <> S+ 0 0 1 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.873 111.4 44.5 -65.3 -39.6 12.6 41.6 77.6 119 144 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.834 109.2 57.5 -69.3 -35.8 13.2 38.0 76.4 120 145 A Y H X S+ 0 0 8 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.944 112.5 40.2 -57.7 -47.9 14.4 39.4 73.1 121 146 A A H >X S+ 0 0 9 -4,-2.0 4,-2.4 2,-0.2 3,-0.7 0.923 112.1 55.5 -66.9 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22.8-130.5-122.2 149.0 0.6 27.6 86.8 198 223 A Q - 0 0 40 -2,-0.3 -22,-0.0 171,-0.2 -2,-0.0 -0.675 31.1 -88.0 -99.9 153.8 -3.3 27.6 86.9 199 224 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.344 45.0-162.4 -52.9 134.8 -5.7 30.5 87.5 200 225 A K - 0 0 92 -3,-0.0 166,-0.2 166,-0.0 165,-0.1 -0.997 23.2-107.4-128.1 128.5 -6.4 30.7 91.2 201 226 A I - 0 0 5 164,-2.6 166,-0.1 -2,-0.4 5,-0.0 -0.206 43.4 -98.5 -50.6 134.1 -9.4 32.6 92.7 202 227 A N > - 0 0 55 1,-0.1 4,-2.0 2,-0.0 -1,-0.1 -0.342 29.9-128.0 -52.1 138.7 -8.5 35.9 94.5 203 228 A T H > S+ 0 0 96 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.745 106.7 48.8 -68.3 -29.1 -8.3 35.3 98.2 204 229 A T H >4 S+ 0 0 43 2,-0.2 3,-0.6 1,-0.1 4,-0.3 0.929 111.1 50.5 -74.9 -47.3 -10.7 38.1 99.1 205 230 A L H >4 S+ 0 0 0 1,-0.2 3,-1.9 2,-0.2 4,-0.4 0.853 102.2 61.1 -55.3 -40.1 -13.3 37.0 96.6 206 231 A K H >< S+ 0 0 72 -4,-2.0 3,-1.1 1,-0.3 4,-0.3 0.822 95.2 62.2 -61.0 -35.6 -13.2 33.4 97.9 207 232 A N T << S+ 0 0 113 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.597 106.7 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151.2-115.7 66.1 7.0 25.8 40.3 744 394 B X G >> + 0 0 107 -2,-0.4 3,-1.6 1,-0.2 4,-0.8 0.829 60.7 74.3 -67.6 -35.2 6.4 25.5 36.6 745 395 B F G >4 S+ 0 0 69 1,-0.2 3,-0.8 -3,-0.2 -1,-0.2 0.820 85.0 70.4 -41.0 -37.8 2.8 26.7 36.7 746 396 B Y G <4 S+ 0 0 1 -3,-0.9 -164,-3.0 1,-0.2 -1,-0.2 0.764 110.9 23.5 -60.8 -33.8 4.1 30.3 37.3 747 397 B I G <4 0 0 41 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.325 360.0 360.0-115.7 5.5 5.5 30.8 33.8 748 398 B N << 0 0 124 -4,-0.8 -166,-0.0 -3,-0.8 0, 0.0 -0.802 360.0 360.0-112.5 360.0 3.5 28.4 31.6 749 ! 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 0.0 750 402 B E 0 0 119 0, 0.0 -171,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -27.5 -5.5 30.5 35.7 751 403 B F > + 0 0 23 1,-0.1 3,-1.2 -173,-0.1 4,-0.2 -0.470 360.0 143.4-112.6 56.8 -9.3 30.7 36.2 752 404 B S T 3 + 0 0 116 1,-0.2 4,-0.3 -2,-0.2 3,-0.2 0.566 66.3 59.3 -72.8 -12.2 -10.1 27.2 34.8 753 405 B F T 3> S+ 0 0 14 1,-0.2 4,-2.1 -3,-0.1 -1,-0.2 0.372 71.8 99.3-100.3 -0.2 -12.9 26.6 37.3 754 406 B I H <> S+ 0 0 10 -3,-1.2 4,-2.9 1,-0.2 -1,-0.2 0.919 84.5 49.0 -58.0 -47.3 -15.1 29.6 36.4 755 407 B K H > S+ 0 0 160 -4,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 109.0 51.4 -56.4 -51.0 -17.5 27.5 34.3 756 408 B E H 4 S+ 0 0 103 -4,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.848 113.7 46.5 -56.3 -35.5 -17.9 24.9 37.0 757 409 B I H >X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 3,-1.1 0.909 108.0 55.5 -70.9 -43.0 -18.8 27.7 39.4 758 410 B E H >< S+ 0 0 12 -4,-2.9 3,-0.9 1,-0.3 -2,-0.2 0.923 107.4 49.5 -54.6 -48.1 -21.2 29.3 36.8 759 411 B E T 3< S+ 0 0 147 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.680 113.2 49.3 -62.4 -18.8 -23.1 26.0 36.6 760 412 B K T <4 0 0 65 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.592 360.0 360.0-101.0 -14.6 -23.2 25.9 40.4 761 413 B L << 0 0 30 -4,-1.1 -241,-0.3 -3,-0.9 -2,-0.2 0.831 360.0 360.0 -89.8 360.0 -24.5 29.5 41.2