==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-SEP-10 3ORL . COMPND 2 MOLECULE: SERINE/THREONINE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR N.ECHOLS,T.N.LOMBANA,N.D.THOMSEN,H.-L.NG,T.ALBER,TB STRUCTUR . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0.7 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 . 16 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 1 0 0 1 0 1 0 2 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 2 1 0 0 2 1 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 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 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 T 0 0 126 0, 0.0 40,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.1 20.5 47.9 -2.5 2 4 A P - 0 0 23 0, 0.0 3,-0.2 0, 0.0 78,-0.0 -0.129 360.0-167.9 -67.9 135.7 17.9 49.9 -0.5 3 5 A S S S- 0 0 106 1,-0.3 8,-0.3 7,-0.1 2,-0.3 0.924 83.8 -3.5 -74.0 -48.7 18.6 53.4 0.8 4 6 A H S S+ 0 0 65 6,-0.2 -1,-0.3 22,-0.0 2,-0.2 -0.859 72.3 173.7-153.1 110.0 15.5 53.4 3.2 5 7 A L B > +A 9 0A 22 4,-0.6 4,-1.3 -2,-0.3 3,-0.4 -0.608 63.5 32.7-108.9 172.4 12.9 50.7 3.5 6 8 A S T 4 S- 0 0 44 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.350 95.2-116.3 66.1 -6.5 9.9 50.3 5.9 7 9 A D T 4 S+ 0 0 100 2,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.454 114.2 69.3 52.6 -0.7 9.6 54.1 5.9 8 10 A R T 4 S+ 0 0 76 -3,-0.4 21,-2.7 1,-0.2 22,-0.5 0.572 94.1 54.5-113.0 -22.5 10.4 53.5 9.6 9 11 A Y E < -AB 5 28A 4 -4,-1.3 2,-0.9 19,-0.2 -4,-0.6 -0.971 63.2-157.8-121.8 123.8 14.1 52.5 9.2 10 12 A E E - B 0 27A 37 17,-1.8 17,-0.8 -2,-0.5 -6,-0.2 -0.865 23.7-142.9 -97.8 101.6 16.7 54.4 7.3 11 13 A L E + B 0 26A 21 -2,-0.9 15,-0.3 -8,-0.3 3,-0.1 -0.440 25.3 176.7 -66.7 133.3 19.4 51.9 6.3 12 14 A G E - 0 0 38 13,-1.2 14,-0.1 1,-0.3 -1,-0.1 -0.028 41.5 -8.8-111.2-144.0 23.0 53.1 6.5 13 15 A E E S- 0 0 73 11,-0.1 12,-2.6 12,-0.1 2,-0.5 -0.080 71.1-106.5 -53.7 148.7 26.4 51.5 6.0 14 16 A I E - B 0 24A 68 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.728 26.8-167.9 -76.6 122.1 26.8 47.8 5.5 15 17 A L E - 0 0 83 8,-2.8 2,-0.2 -2,-0.5 9,-0.2 0.784 62.9 -48.5 -79.7 -30.8 28.3 46.3 8.7 16 18 A G E - B 0 23A 30 7,-1.2 7,-2.7 -3,-0.1 2,-0.4 -0.897 50.0-100.5 169.4 164.7 29.0 43.0 7.0 17 19 A F E - B 0 22A 125 -2,-0.2 5,-0.2 5,-0.2 2,-0.2 -0.881 28.7-167.6-106.1 133.6 27.8 40.1 4.8 18 20 A G E > - B 0 21A 17 3,-3.3 3,-1.2 -2,-0.4 -2,-0.0 -0.584 48.2 -78.7-106.6 177.7 26.7 36.8 6.1 19 21 A G T 3 S+ 0 0 65 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.735 126.3 5.9 -48.3 -32.3 26.1 33.5 4.2 20 22 A M T 3 S+ 0 0 32 1,-0.1 21,-0.4 30,-0.0 2,-0.3 -0.067 123.2 50.0-147.8 41.7 22.7 34.7 3.0 21 23 A S E < -B 18 0A 8 -3,-1.2 -3,-3.3 19,-0.2 2,-0.5 -0.936 61.1-130.1-172.2 148.6 22.2 38.4 4.1 22 24 A E E -BC 17 39A 7 17,-2.6 17,-2.5 -2,-0.3 2,-0.6 -0.941 26.7-148.2-103.0 129.2 23.6 41.9 4.2 23 25 A V E -BC 16 38A 30 -7,-2.7 -8,-2.8 -2,-0.5 -7,-1.2 -0.880 17.5-168.2-102.2 115.2 23.5 43.5 7.7 24 26 A H E -BC 14 37A 6 13,-2.8 13,-2.7 -2,-0.6 2,-1.0 -0.638 27.5-122.8 -98.2 155.5 23.0 47.2 7.6 25 27 A L E - C 0 36A 41 -12,-2.6 -13,-1.2 -2,-0.2 11,-0.2 -0.864 45.1-179.6 -92.8 99.3 23.4 49.8 10.4 26 28 A A E -BC 11 35A 2 9,-1.2 9,-1.9 -2,-1.0 2,-0.4 -0.350 25.3-128.8 -89.8 175.8 19.9 51.4 10.2 27 29 A R E -BC 10 34A 32 -17,-0.8 -17,-1.8 7,-0.2 2,-0.6 -0.975 16.7-134.1-128.2 117.4 18.4 54.2 12.3 28 30 A D E > -BC 9 33A 15 5,-2.9 5,-1.2 -2,-0.4 4,-0.4 -0.601 19.2-169.1 -69.2 115.5 15.0 53.7 13.9 29 31 A L T 5S+ 0 0 91 -21,-2.7 -1,-0.2 -2,-0.6 -20,-0.1 0.831 79.3 48.7 -80.0 -33.7 13.1 56.8 13.1 30 32 A R T 5S+ 0 0 60 -22,-0.5 -1,-0.1 1,-0.2 -21,-0.1 0.957 122.8 29.9 -71.5 -52.6 10.1 56.3 15.5 31 33 A D T 5S- 0 0 115 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.414 103.7-128.7 -88.6 0.2 12.0 55.4 18.7 32 34 A H T 5 + 0 0 167 -4,-0.4 2,-0.3 1,-0.2 -3,-0.2 0.903 62.2 130.3 51.8 52.7 15.0 57.6 17.6 33 35 A R E < -C 28 0A 48 -5,-1.2 -5,-2.9 0, 0.0 2,-0.3 -0.962 63.6-109.2-136.1 149.5 17.6 54.9 18.2 34 36 A D E +C 27 0A 109 -2,-0.3 58,-0.5 -7,-0.2 2,-0.3 -0.630 47.9 171.6 -76.8 133.3 20.5 53.3 16.3 35 37 A V E -C 26 0A 3 -9,-1.9 -9,-1.2 -2,-0.3 2,-0.4 -0.884 32.0-120.0-141.9 163.0 19.7 49.7 15.2 36 38 A A E -CD 25 90A 6 54,-2.7 54,-3.1 -2,-0.3 2,-0.5 -0.935 22.3-163.5-111.0 136.0 20.9 46.8 13.1 37 39 A V E -CD 24 89A 2 -13,-2.7 -13,-2.8 -2,-0.4 2,-0.8 -0.963 7.1-157.3-123.9 117.3 18.9 45.4 10.2 38 40 A K E -CD 23 88A 35 50,-3.0 50,-1.9 -2,-0.5 2,-0.4 -0.828 19.6-176.0 -93.6 108.9 19.6 42.0 8.7 39 41 A V E -CD 22 87A 6 -17,-2.5 -17,-2.6 -2,-0.8 48,-0.2 -0.894 28.7-115.2-109.9 133.2 18.2 42.0 5.1 40 42 A L - 0 0 0 46,-2.4 -19,-0.2 -2,-0.4 5,-0.1 -0.418 45.4 -97.7 -61.0 136.2 18.2 39.0 2.8 41 43 A R > - 0 0 62 -21,-0.4 4,-0.9 1,-0.1 -1,-0.1 -0.244 22.7-129.1 -58.1 143.9 20.4 39.6 -0.3 42 44 A A H > S+ 0 0 29 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.828 108.3 52.7 -63.8 -35.8 18.7 40.8 -3.5 43 45 A D H 4 S+ 0 0 110 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.857 113.4 42.4 -67.9 -37.8 20.3 38.0 -5.6 44 46 A L H >4 S+ 0 0 22 1,-0.2 3,-0.8 2,-0.1 7,-0.4 0.598 103.1 71.5 -82.5 -12.5 19.2 35.3 -3.2 45 47 A A H 3< S+ 0 0 13 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.660 87.1 61.2 -80.2 -19.1 15.7 36.9 -2.9 46 48 A R T 3< S+ 0 0 160 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.1 0.098 92.7 81.1 -91.6 21.0 14.7 35.9 -6.4 47 49 A D S <> S- 0 0 60 -3,-0.8 4,-2.3 1,-0.1 3,-0.3 -0.953 72.8-153.5-130.0 104.9 15.2 32.3 -5.3 48 50 A P H > S+ 0 0 89 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.769 90.9 62.5 -54.1 -31.3 12.1 31.0 -3.3 49 51 A S H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.975 110.8 35.2 -56.6 -61.8 14.3 28.5 -1.4 50 52 A F H > S+ 0 0 60 -3,-0.3 4,-3.0 -6,-0.3 5,-0.3 0.871 114.6 58.8 -60.6 -41.6 16.4 31.2 0.3 51 53 A Y H X S+ 0 0 45 -4,-2.3 4,-2.7 -7,-0.4 -1,-0.2 0.921 112.3 39.5 -54.3 -47.7 13.5 33.6 0.6 52 54 A L H X S+ 0 0 116 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.847 112.7 56.6 -70.8 -37.3 11.6 31.0 2.6 53 55 A R H X S+ 0 0 121 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.891 114.0 39.8 -60.3 -43.2 14.8 30.0 4.6 54 56 A F H X S+ 0 0 9 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.938 113.0 54.6 -69.3 -50.0 15.2 33.6 5.6 55 57 A R H X S+ 0 0 33 -4,-2.7 4,-1.3 -5,-0.3 -2,-0.2 0.825 112.1 45.5 -55.3 -35.0 11.5 34.2 6.2 56 58 A R H X S+ 0 0 54 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.969 112.9 47.5 -71.2 -54.9 11.5 31.1 8.6 57 59 A E H < S+ 0 0 69 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.442 109.2 60.1 -66.6 -0.6 14.7 32.1 10.5 58 60 A A H < S+ 0 0 6 -4,-0.8 3,-0.4 -3,-0.2 -1,-0.2 0.881 110.3 33.2 -92.9 -51.7 13.2 35.6 10.8 59 61 A Q H < S+ 0 0 164 -4,-1.3 -2,-0.2 -3,-0.2 -3,-0.1 0.552 119.5 55.8 -81.5 -6.8 9.9 35.0 12.8 60 62 A N S < S+ 0 0 104 -4,-1.2 97,-0.7 -5,-0.1 2,-0.4 0.562 74.9 108.8-103.0 -11.5 11.5 32.1 14.7 61 63 A A B S-F 156 0B 12 -3,-0.4 95,-0.2 -4,-0.2 2,-0.1 -0.557 76.2-118.8 -66.4 120.8 14.5 33.9 16.1 62 64 A A - 0 0 19 93,-3.0 2,-0.7 -2,-0.4 93,-0.4 -0.365 14.4-141.6 -69.7 138.8 13.8 34.2 19.9 63 65 A A + 0 0 74 8,-0.1 2,-0.3 -2,-0.1 8,-0.1 -0.898 32.9 167.3-102.8 106.4 13.5 37.6 21.5 64 66 A L - 0 0 15 -2,-0.7 2,-0.8 6,-0.3 8,-0.1 -0.874 35.6-131.1-120.4 151.8 15.1 37.5 25.0 65 67 A N + 0 0 150 -2,-0.3 5,-0.1 6,-0.1 -2,-0.0 -0.862 55.2 123.3-105.8 99.1 16.0 40.2 27.4 66 68 A H B > -G 69 0C 40 -2,-0.8 3,-2.3 3,-0.5 -2,-0.1 -0.961 64.7-125.5-157.7 136.6 19.6 39.6 28.6 67 69 A P T 3 S+ 0 0 103 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.724 115.8 45.6 -55.9 -25.1 22.8 41.7 28.6 68 70 A A T 3 S+ 0 0 12 83,-0.1 84,-3.0 2,-0.1 2,-0.4 0.329 102.4 79.9-100.4 4.6 24.6 38.8 26.7 69 71 A I B < S-Gh 66 152C 1 -3,-2.3 -3,-0.5 82,-0.2 2,-0.5 -0.957 81.7-122.1-118.9 130.5 21.8 38.2 24.2 70 72 A V - 0 0 3 82,-3.5 -6,-0.3 -2,-0.4 2,-0.3 -0.558 33.2-131.5 -69.2 117.2 21.1 40.3 21.1 71 73 A A - 0 0 16 -2,-0.5 20,-2.7 -8,-0.1 2,-0.4 -0.553 10.6-141.5 -76.5 129.9 17.6 41.7 21.4 72 74 A V E +E 90 0A 26 -2,-0.3 18,-0.3 18,-0.2 3,-0.1 -0.746 24.3 172.0 -85.8 137.6 15.3 41.3 18.4 73 75 A Y E + 0 0 132 16,-3.2 2,-0.3 -2,-0.4 17,-0.2 0.793 54.7 3.6-109.8 -54.5 13.0 44.3 17.8 74 76 A D E -E 89 0A 52 15,-1.0 15,-3.3 2,-0.0 -1,-0.4 -0.884 48.7-165.0-137.9 162.3 11.2 44.0 14.5 75 77 A T E +E 88 0A 42 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.985 30.7 113.9-148.6 139.4 10.6 41.7 11.5 76 78 A G E -E 87 0A 24 11,-2.6 11,-3.7 -2,-0.3 2,-0.2 -0.965 49.1-113.8-177.2-169.4 9.1 42.3 8.1 77 79 A E E -E 86 0A 96 9,-0.3 2,-0.2 -2,-0.3 -38,-0.0 -0.742 25.2-162.1-156.4 102.7 9.6 42.4 4.3 78 80 A A E -E 85 0A 24 7,-0.9 7,-1.6 -2,-0.2 2,-0.5 -0.531 26.9-109.3 -86.2 150.6 9.3 45.6 2.4 79 81 A E E +E 84 0A 96 5,-0.2 -73,-0.1 -2,-0.2 -1,-0.1 -0.685 45.5 169.7 -78.5 125.2 8.8 45.9 -1.4 80 82 A T E > -E 83 0A 26 3,-2.2 3,-2.1 -2,-0.5 -75,-0.0 -0.753 54.9 -86.6-125.4 173.3 12.0 47.2 -3.1 81 83 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.482 129.6 55.7 -62.0 1.3 13.1 47.5 -6.8 82 84 A A T 3 S- 0 0 16 1,-0.6 -37,-0.0 -37,-0.0 -3,-0.0 0.066 121.1-102.8-116.0 20.8 14.3 43.9 -6.4 83 85 A G E < S- E 0 80A 32 -3,-2.1 -3,-2.2 2,-0.1 -1,-0.6 -0.497 75.9 -12.9 86.6-164.1 11.0 42.5 -5.2 84 86 A P E - E 0 79A 62 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.427 58.9-163.0 -66.9 145.6 10.3 41.7 -1.5 85 87 A L E - E 0 78A 6 -7,-1.6 -7,-0.9 -2,-0.1 2,-0.1 -0.918 12.4-143.2-131.0 105.1 13.2 41.7 0.8 86 88 A P E - E 0 77A 3 0, 0.0 -46,-2.4 0, 0.0 2,-0.3 -0.428 28.3-180.0 -64.8 141.0 12.6 39.9 4.2 87 89 A Y E -DE 39 76A 23 -11,-3.7 -11,-2.6 -48,-0.2 2,-0.4 -0.988 23.8-152.4-146.9 153.2 14.4 41.7 7.1 88 90 A I E -DE 38 75A 7 -50,-1.9 -50,-3.0 -2,-0.3 2,-0.4 -0.995 13.0-147.9-129.9 132.5 14.9 41.5 10.8 89 91 A V E +DE 37 74A 0 -15,-3.3 -16,-3.2 -2,-0.4 -15,-1.0 -0.851 30.5 155.7-102.6 133.4 15.7 44.4 13.1 90 92 A M E -DE 36 72A 9 -54,-3.1 -54,-2.7 -2,-0.4 -18,-0.2 -0.907 46.2 -55.9-150.4 173.3 17.8 43.9 16.2 91 93 A E - 0 0 42 -20,-2.7 2,-0.6 -2,-0.3 -56,-0.1 -0.321 56.1-119.5 -57.1 128.0 20.2 45.3 18.8 92 94 A Y - 0 0 62 -58,-0.5 2,-0.7 -2,-0.1 -1,-0.1 -0.625 26.9-164.4 -75.4 115.1 23.1 47.1 17.2 93 95 A V - 0 0 17 -2,-0.6 2,-1.4 2,-0.1 51,-0.1 -0.895 10.3-149.9-101.9 107.8 26.4 45.4 18.3 94 96 A D + 0 0 92 -2,-0.7 52,-1.6 2,-0.0 2,-0.3 -0.655 69.5 46.8 -76.2 94.6 29.4 47.6 17.6 95 97 A G E S-I 145 0C 34 -2,-1.4 2,-0.3 50,-0.2 50,-0.2 -0.960 85.5 -70.4 169.4-152.6 31.9 44.9 17.0 96 98 A V E -I 144 0C 61 48,-1.5 48,-2.6 -2,-0.3 2,-0.2 -0.849 33.1-111.3-132.4 164.2 32.6 41.6 15.3 97 99 A T E > -I 143 0C 14 -2,-0.3 4,-1.7 46,-0.2 46,-0.2 -0.602 37.4-107.7 -90.1 160.8 31.5 37.9 15.4 98 100 A L H > S+ 0 0 0 44,-2.5 4,-2.4 41,-1.3 42,-0.2 0.790 120.6 60.5 -57.8 -29.3 33.9 35.1 16.5 99 101 A R H > S+ 0 0 88 40,-0.8 4,-2.1 43,-0.2 -1,-0.2 0.971 102.4 50.3 -60.2 -53.9 34.0 34.0 12.8 100 102 A D H 4 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.2 5,-0.4 0.894 112.2 48.5 -48.5 -47.9 35.4 37.4 11.8 101 103 A I H >X>S+ 0 0 15 -4,-1.7 5,-2.6 1,-0.2 3,-1.1 0.922 110.0 50.3 -60.8 -48.1 38.1 37.1 14.5 102 104 A V H 3<5S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 115.6 42.9 -60.1 -35.8 39.0 33.6 13.5 103 105 A H T 3<5S+ 0 0 133 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.330 129.7 21.9 -98.7 6.5 39.4 34.5 9.8 104 106 A T T <45S+ 0 0 117 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.2 0.546 132.7 26.7-131.5 -61.2 41.3 37.8 10.3 105 107 A E T <5S- 0 0 138 -4,-1.0 -3,-0.2 -5,-0.4 -4,-0.1 0.842 97.8-143.4 -75.7 -36.7 43.0 38.1 13.7 106 108 A G < + 0 0 14 -5,-2.6 -1,-0.2 86,-0.0 -2,-0.1 -0.574 51.0 1.5 99.5-168.7 43.5 34.3 14.2 107 109 A P S S- 0 0 53 0, 0.0 83,-0.2 0, 0.0 82,-0.1 -0.242 75.4-123.9 -56.0 133.4 43.3 32.2 17.4 108 110 A M - 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0 0 33 -3,-0.3 -27,-0.1 -4,-0.2 15,-0.0 -0.648 65.6-118.0 -93.0 147.4 26.4 20.5 15.1 164 184 A S >> - 0 0 0 -2,-0.3 4,-2.6 1,-0.1 3,-0.6 -0.426 25.4-111.0 -78.9 156.1 26.0 18.0 17.9 165 185 A P H 3> S+ 0 0 9 0, 0.0 4,-0.7 0, 0.0 6,-0.2 0.825 121.9 52.4 -52.9 -35.4 26.0 14.2 17.3 166 186 A E H 34>S+ 0 0 16 2,-0.2 5,-1.2 1,-0.2 11,-0.0 0.785 110.7 46.7 -72.2 -30.1 22.3 14.2 18.4 167 187 A Q H X45S+ 0 0 41 -3,-0.6 3,-1.4 3,-0.2 -1,-0.2 0.865 110.7 52.8 -73.4 -39.2 21.6 16.9 15.8 168 188 A A H 3<5S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.637 108.5 50.6 -72.5 -16.7 23.6 15.0 13.1 169 189 A R T 3<5S- 0 0 55 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.249 114.6-116.7-101.8 9.5 21.5 11.9 13.8 170 190 A G T < 5S+ 0 0 70 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.451 72.3 135.0 70.7 1.1 18.2 13.9 13.5 171 191 A D < - 0 0 104 -5,-1.2 -1,-0.1 -6,-0.2 -5,-0.0 0.138 62.9 -65.0 -67.0-174.1 17.4 13.1 17.2 172 192 A S - 0 0 100 -3,-0.1 2,-0.4 1,-0.0 -1,-0.2 -0.099 46.8-136.0 -66.3 173.6 16.1 15.6 19.8 173 193 A V + 0 0 26 -3,-0.1 2,-0.2 -6,-0.1 -40,-0.1 -0.999 27.4 163.2-139.8 130.9 18.1 18.6 21.0 174 194 A D >> - 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0 0 120 -2,-0.3 2,-0.2 -3,-0.1 24,-0.1 -0.550 28.2-102.9 -84.8 151.5 37.2 11.6 18.5 213 233 A P - 0 0 18 0, 0.0 -17,-0.1 0, 0.0 -1,-0.1 -0.551 29.4-121.8 -76.0 138.7 38.5 15.2 18.8 214 234 A I - 0 0 71 -19,-0.4 5,-0.1 -2,-0.2 0, 0.0 -0.647 44.6 -93.9 -75.0 129.5 42.3 15.8 18.8 215 235 A P > - 0 0 49 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.198 30.8-125.7 -48.7 130.7 43.3 17.6 22.1 216 236 A P G >> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 3,-1.4 0.819 110.8 55.6 -46.9 -40.2 43.4 21.4 21.5 217 237 A S G 34 S+ 0 0 50 1,-0.3 6,-0.1 2,-0.2 5,-0.1 0.732 98.6 62.0 -68.3 -24.0 46.9 21.5 22.8 218 238 A A G <4 S+ 0 0 71 -3,-1.9 -1,-0.3 1,-0.2 3,-0.1 0.573 112.5 38.1 -75.2 -10.2 48.0 18.9 20.2 219 239 A R T <4 S+ 0 0 99 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.626 122.4 31.4-111.3 -24.8 46.9 21.4 17.6 220 240 A H S >< S- 0 0 73 -4,-1.5 3,-0.6 3,-0.1 -1,-0.2 -0.986 74.8-115.7-141.4 149.5 48.1 24.8 19.0 221 241 A E T 3 S+ 0 0 174 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.505 91.0 31.7 -79.9 147.9 50.8 26.1 21.3 222 242 A G T 3 S+ 0 0 61 1,-0.2 2,-0.6 -2,-0.2 -1,-0.2 0.474 79.4 129.9 91.0 4.1 50.1 27.7 24.7 223 243 A L < - 0 0 15 -3,-0.6 -1,-0.2 -6,-0.1 -3,-0.1 -0.829 52.4-131.7 -99.3 121.9 47.1 25.6 25.7 224 244 A S > - 0 0 57 -2,-0.6 4,-1.1 1,-0.1 -7,-0.2 -0.143 15.0-123.0 -64.8 160.6 47.1 24.0 29.1 225 245 A A H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 42,-0.3 0.804 114.4 60.4 -71.3 -32.4 46.2 20.4 29.7 226 246 A D H > S+ 0 0 74 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.829 102.6 52.1 -62.1 -34.4 43.5 21.6 32.1 227 247 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.861 104.2 56.3 -69.1 -38.0 42.0 23.4 29.2 228 248 A D H X S+ 0 0 7 -4,-1.1 4,-3.1 1,-0.2 5,-0.3 0.955 103.9 54.7 -55.5 -51.1 42.0 20.2 27.2 229 249 A A H X S+ 0 0 6 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.901 112.1 42.1 -47.6 -53.5 39.9 18.5 29.9 230 250 A V H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.957 117.4 45.4 -61.8 -56.7 37.2 21.2 29.8 231 251 A V H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.4 0.955 115.3 46.7 -50.4 -58.4 37.0 21.4 25.9 232 252 A L H < S+ 0 0 38 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.761 108.5 55.5 -62.9 -29.3 37.1 17.7 25.4 233 253 A K H >< S+ 0 0 40 -4,-1.7 3,-1.2 -5,-0.3 -1,-0.3 0.885 107.5 49.3 -68.4 -40.3 34.4 17.1 28.0 234 254 A A H 3< S+ 0 0 0 -4,-1.9 -51,-0.2 -3,-0.4 -2,-0.2 0.764 111.1 51.5 -66.8 -25.2 32.1 19.5 26.2 235 255 A L T 3< S+ 0 0 1 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.334 80.8 136.8 -92.8 6.3 32.9 17.6 23.0 236 256 A A < - 0 0 16 -3,-1.2 6,-0.2 -5,-0.2 -3,-0.1 -0.276 55.8-136.6 -54.8 136.8 32.0 14.2 24.7 237 257 A K S S+ 0 0 51 4,-0.1 -1,-0.1 -73,-0.1 -71,-0.1 0.898 88.5 63.6 -66.0 -45.3 30.0 12.0 22.3 238 258 A N S >> S- 0 0 78 1,-0.1 3,-2.1 -73,-0.1 4,-1.0 -0.743 81.1-138.5 -86.0 124.4 27.5 10.9 24.9 239 259 A P T 34 S+ 0 0 28 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.810 104.4 59.2 -47.2 -37.2 25.4 13.8 26.4 240 260 A E T 34 S+ 0 0 119 1,-0.2 4,-0.1 -3,-0.0 -3,-0.0 0.738 103.2 53.8 -67.4 -23.6 25.7 12.2 29.9 241 261 A N T <4 S+ 0 0 103 -3,-2.1 -1,-0.2 2,-0.1 -5,-0.1 0.721 103.3 65.3 -81.5 -26.8 29.5 12.6 29.5 242 262 A R S < S- 0 0 1 -4,-1.0 -8,-0.2 -3,-0.5 2,-0.2 -0.211 107.6 -63.2 -85.5-178.5 29.5 16.3 28.7 243 263 A Y - 0 0 3 1,-0.1 -64,-0.2 -67,-0.1 -1,-0.2 -0.493 40.1-148.4 -65.9 134.8 28.4 19.2 30.9 244 264 A Q S S+ 0 0 59 -2,-0.2 2,-0.3 -4,-0.1 -68,-0.2 0.818 78.6 23.0 -78.1 -31.5 24.7 19.0 31.7 245 265 A T S > S- 0 0 57 1,-0.1 4,-1.6 -70,-0.1 5,-0.1 -0.911 75.0-120.8-130.7 160.5 24.2 22.7 31.9 246 266 A A H > S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.836 116.9 57.9 -64.8 -34.7 25.9 25.8 30.4 247 267 A A H > S+ 0 0 45 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.886 103.3 52.9 -59.9 -41.8 26.4 27.0 34.0 248 268 A E H > S+ 0 0 73 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.912 110.3 46.9 -59.1 -47.4 28.3 23.7 34.7 249 269 A M H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.875 113.8 48.5 -62.7 -41.3 30.6 24.4 31.7 250 270 A R H X S+ 0 0 76 -4,-2.3 4,-3.2 2,-0.2 3,-0.5 0.954 105.2 57.3 -63.8 -50.5 31.1 28.0 32.9 251 271 A A H X S+ 0 0 37 -4,-3.3 4,-1.1 1,-0.3 -1,-0.2 0.835 111.8 44.7 -47.8 -34.2 31.8 26.9 36.4 252 272 A D H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -1,-0.3 0.781 111.0 50.3 -86.0 -29.8 34.6 24.8 34.9 253 273 A L H X S+ 0 0 0 -4,-1.6 4,-2.9 -3,-0.5 -2,-0.2 0.869 106.5 57.2 -71.1 -38.8 35.9 27.5 32.5 254 274 A V H X S+ 0 0 48 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.891 106.5 50.4 -56.0 -43.4 36.1 29.9 35.5 255 275 A R H <>S+ 0 0 47 -4,-1.1 5,-2.9 -5,-0.3 -2,-0.2 0.978 111.5 45.1 -59.4 -59.6 38.4 27.5 37.3 256 276 A V H ><5S+ 0 0 15 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.894 113.3 52.7 -51.1 -45.0 40.8 27.1 34.4 257 277 A H H 3<5S+ 0 0 43 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.936 111.2 45.8 -55.9 -48.4 40.7 30.8 33.9 258 278 A N T 3<5S- 0 0 90 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.137 123.0-104.0 -85.2 20.2 41.6 31.3 37.6 259 279 A G T < 5S+ 0 0 71 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.835 77.6 137.5 61.0 35.6 44.3 28.7 37.5 260 280 A E < - 0 0 94 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.828 61.4 -98.6-110.1 150.9 42.2 26.1 39.3 261 281 A P - 0 0 101 0, 0.0 -6,-0.0 0, 0.0 -5,-0.0 -0.492 41.2-123.3 -68.7 132.4 41.9 22.4 38.5 262 282 A P - 0 0 21 0, 0.0 4,-0.1 0, 0.0 -10,-0.1 -0.303 6.1-132.0 -69.2 157.2 38.8 21.5 36.5 263 283 A E S S+ 0 0 145 2,-0.1 3,-0.1 -2,-0.0 -11,-0.0 0.307 78.9 109.4 -87.5 5.1 36.1 19.0 37.6 264 284 A A S S- 0 0 9 -38,-0.1 -34,-0.1 1,-0.1 -35,-0.1 -0.633 86.9 -92.9 -80.4 139.5 36.4 17.5 34.1 265 285 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 -0.283 50.9-100.7 -52.7 130.5 38.1 14.1 33.8 266 286 A K - 0 0 169 1,-0.1 2,-0.9 -4,-0.1 -40,-0.1 -0.258 29.3-123.5 -56.0 134.6 41.9 14.5 33.1 267 287 A V + 0 0 44 -42,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.764 41.9 175.6 -81.7 107.8 42.8 14.1 29.4 268 288 A L 0 0 136 -2,-0.9 -2,-0.0 1,-0.1 0, 0.0 -0.972 360.0 360.0-124.7 135.8 45.5 11.3 29.5 269 289 A T 0 0 159 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.1 0.134 360.0 360.0 59.1 360.0 47.3 9.5 26.7