==== 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 17-APR-07 2PKM . COMPND 2 MOLECULE: ADENOSINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.C.M.REDDY,S.K.PALANINATHAN,N.D.SHETTY,J.L.OWEN,M.D.WATSON, . 329 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 7.3 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 . 3 0.9 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 . 24 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 2 1 0 2 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 4 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 0 0 0 1 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 -6 A D 0 0 86 0, 0.0 167,-0.0 0, 0.0 143,-0.0 0.000 360.0 360.0 360.0 114.7 23.0 27.1 2.4 2 -5 A L + 0 0 182 2,-0.0 3,-0.1 3,-0.0 2,-0.1 0.249 360.0 119.7 -99.5 10.2 25.3 27.5 -0.7 3 -4 A Y S S- 0 0 92 1,-0.1 137,-0.0 140,-0.0 141,-0.0 -0.349 75.1 -82.6 -70.7 157.5 28.3 25.7 0.8 4 -3 A F - 0 0 107 1,-0.1 140,-3.0 136,-0.1 2,-0.2 -0.222 45.5-119.9 -69.0 152.0 29.5 22.5 -1.0 5 -2 A Q B a 144 0A 75 138,-0.3 -1,-0.1 -3,-0.1 141,-0.0 -0.521 360.0 360.0 -93.0 154.5 27.9 19.1 -0.5 6 -1 A S 0 0 65 138,-3.0 136,-0.0 -2,-0.2 -2,-0.0 -0.315 360.0 360.0 172.4 360.0 29.3 15.8 0.8 7 ! 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 8 2 A T 0 0 28 0, 0.0 138,-1.9 0, 0.0 139,-1.2 0.000 360.0 360.0 360.0 152.5 27.9 11.9 4.1 9 3 A I E -bc 70 147B 6 60,-1.7 62,-2.4 136,-0.2 2,-0.6 -0.970 360.0-151.4-101.3 127.6 25.8 11.1 7.1 10 4 A A E -bc 71 148B 3 137,-2.6 139,-3.0 -2,-0.5 2,-0.7 -0.899 9.2-157.1 -97.5 124.0 27.0 13.0 10.3 11 5 A V E -bc 72 149B 0 60,-3.2 62,-3.0 -2,-0.6 2,-0.4 -0.917 11.2-175.9-105.2 111.2 26.2 11.0 13.4 12 6 A T E +bc 73 150B 0 137,-2.8 139,-2.5 -2,-0.7 2,-0.3 -0.854 36.1 79.7-102.9 146.9 25.9 13.1 16.6 13 7 A G S S- 0 0 0 60,-1.1 140,-0.3 -2,-0.4 62,-0.2 -0.944 75.0 -19.2 147.3-168.1 25.3 11.4 20.0 14 8 A S - 0 0 6 138,-2.1 43,-1.5 -2,-0.3 42,-1.3 -0.391 34.9-162.6 -79.7 155.0 27.1 9.5 22.7 15 9 A I + 0 0 0 60,-0.5 91,-0.7 41,-0.2 39,-0.3 -0.995 36.5 147.7-122.4 115.0 30.4 7.6 22.6 16 10 A A E -Jk 53 106C 0 37,-2.2 37,-2.6 -2,-0.4 2,-0.5 -0.927 52.8-110.3-143.8 173.6 30.7 5.2 25.6 17 11 A T E -Jk 52 107C 36 89,-2.5 91,-2.5 -2,-0.3 2,-0.5 -0.962 38.9-147.7-103.0 128.3 31.9 2.0 27.2 18 12 A D E -Jk 51 108C 4 33,-3.0 33,-2.3 -2,-0.5 2,-0.6 -0.844 11.3-162.9-100.6 129.9 28.9 -0.3 27.8 19 13 A H E -Jk 50 109C 46 89,-3.3 91,-2.7 -2,-0.5 2,-0.5 -0.950 18.6-167.2-107.7 106.8 28.8 -2.7 30.8 20 14 A L E +Jk 49 110C 6 29,-3.2 29,-1.9 -2,-0.6 2,-0.3 -0.863 9.0 177.2-105.4 127.9 26.1 -5.2 29.9 21 15 A M E -Jk 48 111C 29 89,-2.9 91,-2.4 -2,-0.5 2,-0.5 -0.869 20.5-134.3-125.3 156.7 24.6 -7.6 32.5 22 16 A R E - k 0 112C 75 25,-0.8 24,-2.7 -2,-0.3 25,-0.5 -0.957 3.9-157.3-118.8 127.2 21.9 -10.2 32.5 23 17 A F - 0 0 31 89,-3.0 2,-1.9 -2,-0.5 91,-0.3 -0.903 15.2-146.5 -93.9 113.6 19.2 -10.7 35.2 24 18 A P S S+ 0 0 79 0, 0.0 2,-0.2 0, 0.0 89,-0.1 -0.206 76.2 55.6 -79.6 51.2 18.0 -14.3 34.9 25 19 A G S S- 0 0 19 -2,-1.9 89,-2.8 18,-0.0 2,-0.5 -0.814 94.0 -80.0-155.2-165.4 14.5 -13.3 35.9 26 20 A R > - 0 0 89 -2,-0.2 4,-0.6 87,-0.2 0, 0.0 -0.954 18.1-157.0-119.7 124.2 11.7 -10.9 34.9 27 21 A F H >> S+ 0 0 5 -2,-0.5 3,-1.3 1,-0.2 4,-1.1 0.897 96.3 55.9 -61.2 -44.4 11.6 -7.2 35.8 28 22 A S H >4 S+ 0 0 73 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.895 101.3 58.1 -56.7 -42.7 7.8 -7.0 35.4 29 23 A E H 34 S+ 0 0 131 1,-0.3 -1,-0.3 3,-0.1 -2,-0.2 0.704 111.8 41.7 -59.4 -24.0 7.4 -9.8 37.9 30 24 A Q H << S+ 0 0 95 -3,-1.3 2,-1.2 -4,-0.6 -1,-0.3 0.577 94.0 93.3 -98.9 -14.6 9.3 -7.6 40.5 31 25 A L << - 0 0 75 -4,-1.1 -1,-0.1 -3,-0.7 5,-0.0 -0.674 60.5-165.9 -87.3 91.9 7.6 -4.4 39.5 32 26 A L >> - 0 0 47 -2,-1.2 4,-1.1 1,-0.1 3,-0.9 -0.709 16.2-142.0 -82.5 121.7 4.6 -4.0 41.8 33 27 A P T 34 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.366 98.5 53.2 -67.1 7.6 2.1 -1.3 40.6 34 28 A E T >4 S+ 0 0 163 2,-0.1 3,-0.6 4,-0.0 4,-0.0 0.803 110.8 46.7 -96.1 -47.0 1.3 0.1 44.1 35 29 A H G X4 S+ 0 0 117 -3,-0.9 3,-2.4 1,-0.2 -4,-0.0 0.527 83.6 96.9 -70.4 -13.3 5.0 0.6 44.8 36 30 A L G 3< + 0 0 64 -4,-1.1 3,-0.4 1,-0.3 -1,-0.2 0.692 69.6 73.0 -53.7 -16.0 5.7 2.3 41.4 37 31 A H G < S+ 0 0 103 -3,-0.6 -1,-0.3 1,-0.3 2,-0.3 0.913 121.7 7.6 -59.0 -45.1 5.3 5.6 43.2 38 32 A K S < S- 0 0 178 -3,-2.4 -1,-0.3 -4,-0.0 2,-0.1 -0.844 83.0-153.5-139.9 95.7 8.7 4.7 44.7 39 33 A V - 0 0 84 -3,-0.4 2,-0.2 -2,-0.3 -3,-0.1 -0.413 10.5-171.4 -67.5 161.9 10.6 1.7 43.3 40 34 A S + 0 0 125 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.649 28.7 160.1-149.2 76.0 13.2 -0.3 45.5 41 35 A L + 0 0 66 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.873 18.6 168.1-114.8 133.6 14.8 -2.6 43.0 42 36 A S - 0 0 120 -2,-0.4 2,-0.6 2,-0.0 -2,-0.0 -0.896 16.3-159.0-145.8 118.5 18.1 -4.6 43.1 43 37 A F - 0 0 41 -2,-0.3 2,-0.6 -18,-0.0 -2,-0.0 -0.844 12.6-142.2-106.1 118.2 18.8 -7.3 40.6 44 38 A L - 0 0 153 -2,-0.6 2,-0.2 2,-0.0 -2,-0.0 -0.675 31.7-150.3 -73.1 115.6 21.5 -10.0 41.2 45 39 A V - 0 0 45 -2,-0.6 -22,-0.2 -22,-0.2 3,-0.1 -0.500 20.5-152.6 -97.8 163.9 23.0 -10.5 37.8 46 40 A D S S+ 0 0 120 -24,-2.7 2,-0.3 1,-0.2 -23,-0.1 0.531 76.5 22.9-103.9 -18.3 24.6 -13.5 36.2 47 41 A D - 0 0 63 -25,-0.5 -25,-0.8 2,-0.0 2,-0.3 -0.977 52.2-166.6-160.1 146.0 27.0 -11.9 33.8 48 42 A L E +J 21 0C 101 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.935 19.0 166.1-147.9 124.7 28.9 -8.7 33.2 49 43 A V E -J 20 0C 48 -29,-1.9 -29,-3.2 -2,-0.3 2,-0.4 -0.995 24.9-136.6-145.7 144.9 30.6 -7.9 30.0 50 44 A M E +J 19 0C 126 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.870 27.1 164.0-109.8 135.0 32.1 -4.7 28.4 51 45 A H E -J 18 0C 18 -33,-2.3 -33,-3.0 -2,-0.4 2,-0.2 -0.941 44.2 -88.4-141.5 160.1 31.6 -3.6 24.8 52 46 A R E +J 17 0C 80 -2,-0.3 247,-0.6 -35,-0.2 248,-0.3 -0.491 62.7 149.3 -66.3 139.8 32.1 -0.4 22.7 53 47 A G E +J 16 0C 0 -37,-2.6 -37,-2.2 -2,-0.2 4,-0.2 -0.697 20.9 128.0-155.1-156.8 29.0 1.7 22.8 54 48 A G > - 0 0 6 -39,-0.3 4,-2.9 -2,-0.2 5,-0.2 0.191 64.1-103.2 95.3 136.7 27.2 5.1 22.6 55 49 A V H > S+ 0 0 8 97,-0.2 4,-2.7 1,-0.2 5,-0.2 0.909 123.7 45.4 -59.9 -42.7 24.4 5.7 20.2 56 50 A A H > S+ 0 0 0 -42,-1.3 4,-3.1 96,-0.3 5,-0.3 0.920 112.8 50.3 -68.0 -44.9 26.6 7.6 17.8 57 51 A G H > S+ 0 0 0 -43,-1.5 4,-2.5 -4,-0.2 -2,-0.2 0.938 114.6 45.2 -51.7 -51.8 29.4 5.0 18.0 58 52 A N H X S+ 0 0 9 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.906 116.7 43.1 -61.0 -51.0 26.9 2.3 17.3 59 53 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.925 115.3 48.7 -63.6 -46.2 25.1 4.1 14.4 60 54 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.923 110.4 52.7 -60.8 -44.6 28.4 5.3 12.8 61 55 A F H X S+ 0 0 3 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.922 110.7 46.1 -52.4 -52.5 29.9 1.8 13.1 62 56 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 6,-0.2 0.871 110.9 51.3 -64.9 -39.4 26.9 0.2 11.2 63 57 A I H <>S+ 0 0 1 -4,-2.2 5,-2.9 2,-0.2 -1,-0.2 0.921 112.5 48.7 -61.6 -41.5 26.8 2.8 8.5 64 58 A G H ><5S+ 0 0 9 -4,-2.3 3,-1.7 -5,-0.2 -2,-0.2 0.930 109.1 50.5 -63.3 -50.2 30.5 2.1 8.0 65 59 A V H 3<5S+ 0 0 28 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.923 108.5 53.9 -50.1 -48.5 30.1 -1.7 7.9 66 60 A L T 3<5S- 0 0 6 -4,-2.4 264,-0.4 -5,-0.1 -1,-0.3 0.484 124.4-106.6 -70.2 -4.1 27.3 -1.2 5.3 67 61 A G T < 5S+ 0 0 54 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.511 70.3 145.9 93.6 7.0 29.8 0.8 3.2 68 62 A G < - 0 0 21 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.3 -0.340 55.9-112.5 -74.0 154.0 28.3 4.2 3.8 69 63 A E + 0 0 143 -2,-0.1 -60,-1.7 23,-0.1 2,-0.3 -0.790 51.4 169.6 -85.4 126.3 30.3 7.5 4.1 70 64 A V E -bd 9 92B 3 21,-0.5 23,-2.6 -2,-0.5 2,-0.5 -0.998 29.8-157.6-150.9 136.6 30.0 8.6 7.8 71 65 A A E -bd 10 93B 0 -62,-2.4 -60,-3.2 -2,-0.3 2,-0.5 -0.969 16.4-143.5-118.0 130.3 31.4 11.1 10.2 72 66 A L E -b 11 0B 0 21,-3.0 2,-0.5 -2,-0.5 24,-0.4 -0.817 17.8-175.2 -93.7 125.4 31.2 10.5 14.0 73 67 A V E +b 12 0B 0 -62,-3.0 -60,-1.1 -2,-0.5 2,-0.3 -0.934 34.0 95.8-127.9 106.7 30.6 13.7 16.0 74 68 A G - 0 0 0 -2,-0.5 24,-2.5 22,-0.4 2,-0.4 -0.959 66.3 -87.7-171.7 179.9 30.7 13.4 19.8 75 69 A A E +m 98 0D 2 -2,-0.3 -60,-0.5 -62,-0.2 31,-0.3 -0.917 41.0 167.9-115.5 135.4 32.9 13.9 22.9 76 70 A A E -m 99 0D 0 22,-2.8 24,-3.2 -2,-0.4 27,-0.1 -0.852 33.0-100.8-135.7 165.7 35.1 11.1 24.4 77 71 A G > - 0 0 0 -2,-0.3 3,-2.1 22,-0.2 27,-0.2 -0.250 46.8 -91.6 -80.8 177.6 37.9 10.8 27.0 78 72 A A G > S+ 0 0 76 25,-0.6 3,-1.0 1,-0.3 26,-0.1 0.806 122.1 74.5 -59.3 -27.7 41.6 10.6 26.3 79 73 A D G > + 0 0 65 1,-0.2 3,-0.9 2,-0.1 4,-0.5 0.573 69.7 97.3 -59.3 -6.7 41.0 6.8 26.3 80 74 A F G <> + 0 0 1 -3,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.646 53.3 87.4 -63.5 -22.6 39.4 7.2 22.9 81 75 A A H <> S+ 0 0 38 -3,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.837 91.8 44.6 -48.7 -43.0 42.5 6.3 20.7 82 76 A D H <> S+ 0 0 109 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.893 113.8 48.1 -70.0 -44.7 41.7 2.6 20.8 83 77 A Y H > S+ 0 0 3 -4,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.885 108.1 58.0 -61.2 -43.1 38.0 2.9 20.1 84 78 A R H X S+ 0 0 84 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.903 104.8 50.0 -49.9 -46.9 38.9 5.3 17.2 85 79 A D H X S+ 0 0 95 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.898 109.0 52.2 -63.9 -39.5 41.0 2.5 15.6 86 80 A W H < S+ 0 0 84 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.901 114.1 42.5 -61.8 -44.4 38.1 0.1 15.9 87 81 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 3,-1.6 0.917 111.0 54.4 -67.9 -45.1 35.7 2.6 14.2 88 82 A K H ><5S+ 0 0 115 -4,-3.0 3,-2.2 1,-0.3 -2,-0.2 0.831 97.7 66.0 -59.1 -35.2 38.3 3.6 11.5 89 83 A A T 3<5S+ 0 0 66 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.729 103.8 46.0 -59.6 -24.8 38.7 -0.1 10.6 90 84 A R T < 5S- 0 0 105 -3,-1.6 -1,-0.3 -4,-0.4 -23,-0.3 0.167 129.2 -96.6-104.3 19.3 35.0 0.0 9.4 91 85 A G T < 5 + 0 0 50 -3,-2.2 -21,-0.5 1,-0.2 2,-0.4 0.629 69.9 153.8 83.8 16.0 35.5 3.3 7.5 92 86 A V E < -d 70 0B 4 -5,-1.8 2,-0.7 -8,-0.1 -1,-0.2 -0.657 43.3-132.8 -80.7 126.3 34.2 5.8 10.2 93 87 A N E +d 71 0B 49 -23,-2.6 -21,-3.0 -2,-0.4 3,-0.2 -0.719 29.6 173.2 -75.8 113.6 35.6 9.3 10.0 94 88 A C > + 0 0 10 -2,-0.7 3,-1.7 -23,-0.2 -1,-0.1 0.238 43.6 109.7-108.2 12.0 36.6 10.1 13.6 95 89 A D T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -22,-0.0 -22,-0.1 0.805 77.6 50.8 -60.1 -32.0 38.3 13.5 12.8 96 90 A H T 3 S+ 0 0 41 -24,-0.4 2,-0.5 -3,-0.2 -22,-0.4 0.180 76.9 121.3-100.8 17.2 35.5 15.5 14.5 97 91 A V < - 0 0 15 -3,-1.7 2,-0.5 -24,-0.2 -22,-0.2 -0.697 61.4-134.8 -75.4 124.3 35.4 13.6 17.8 98 92 A L E -m 75 0D 57 -24,-2.5 -22,-2.8 -2,-0.5 2,-0.6 -0.736 15.9-152.3 -80.7 124.0 36.2 16.0 20.7 99 93 A I E -m 76 0D 65 -2,-0.5 -22,-0.2 -24,-0.2 -21,-0.1 -0.873 14.5-129.9-103.6 117.8 38.7 14.5 23.1 100 94 A S - 0 0 4 -24,-3.2 -22,-0.2 -2,-0.6 5,-0.1 -0.383 4.4-150.3 -67.1 140.0 38.4 15.7 26.7 101 95 A E S S+ 0 0 194 -24,-0.1 -1,-0.1 -2,-0.1 -24,-0.1 0.753 94.6 11.1 -73.2 -26.7 41.6 16.9 28.4 102 96 A T S S+ 0 0 133 2,-0.0 2,-0.2 24,-0.0 -1,-0.1 0.655 107.0 83.9-127.8 -27.5 40.3 15.9 31.8 103 97 A A - 0 0 31 -27,-0.1 -25,-0.6 22,-0.1 2,-0.2 -0.536 66.6-119.7 -99.1 155.5 37.1 13.7 31.6 104 98 A H - 0 0 133 -27,-0.2 22,-3.6 -2,-0.2 23,-0.3 -0.588 38.5 -91.9 -87.9 147.2 36.5 10.0 31.1 105 99 A T - 0 0 4 -2,-0.2 -89,-0.1 20,-0.2 20,-0.1 -0.310 60.2 -88.7 -53.2 138.7 34.6 8.4 28.3 106 100 A A E -k 16 0C 0 -91,-0.7 -89,-2.5 18,-0.3 2,-0.5 -0.060 39.1-139.2 -53.6 149.8 30.9 7.9 29.3 107 101 A R E -kL 17 123C 116 16,-2.2 16,-3.1 -91,-0.2 2,-0.5 -0.972 11.6-165.6-121.9 123.0 29.8 4.7 31.1 108 102 A F E -kL 18 122C 24 -91,-2.5 -89,-3.3 -2,-0.5 2,-0.5 -0.886 3.4-169.7-103.1 127.7 26.6 2.8 30.3 109 103 A T E +kL 19 121C 31 12,-2.6 12,-2.2 -2,-0.5 2,-0.4 -0.962 15.8 177.6-123.3 111.5 25.6 0.2 32.9 110 104 A C E -kL 20 120C 0 -91,-2.7 -89,-2.9 -2,-0.5 2,-0.5 -0.925 21.2-162.4-125.9 135.5 22.7 -1.9 31.7 111 105 A T E -kL 21 119C 16 8,-2.9 8,-2.3 -2,-0.4 2,-0.4 -0.978 11.0-165.9-117.0 127.2 20.8 -4.9 33.0 112 106 A T E -kL 22 118C 7 -91,-2.4 -89,-3.0 -2,-0.5 6,-0.2 -0.920 7.9-153.1-111.4 135.9 18.7 -7.1 30.6 113 107 A D > - 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0 0 16 -3,-0.1 2,-0.3 -6,-0.1 -9,-0.1 -0.554 59.6-135.9-101.0 170.6 27.9 -8.3 14.3 303 297 A Q - 0 0 166 -2,-0.2 2,-0.3 -11,-0.1 -2,-0.1 -0.832 3.0-129.6-128.0 169.5 29.2 -9.1 10.9 304 298 A W + 0 0 62 -2,-0.3 2,-0.1 -239,-0.0 -238,-0.0 -0.794 28.5 158.9-124.0 145.1 28.4 -8.4 7.3 305 299 A D > - 0 0 93 -2,-0.3 4,-2.1 2,-0.0 3,-0.4 -0.591 27.9-154.5-177.9 69.8 28.3 -11.1 4.6 306 300 A Y H > S+ 0 0 42 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.812 93.1 58.7 -38.9 -20.6 26.3 -10.0 1.6 307 301 A E H > S+ 0 0 75 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.953 108.5 40.9 -72.2 -52.8 25.5 -13.7 0.8 308 302 A A H > S+ 0 0 46 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.773 111.7 60.0 -66.0 -27.2 23.8 -14.5 4.2 309 303 A A H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.930 105.1 46.2 -66.1 -48.5 22.0 -11.1 4.0 310 304 A A H X S+ 0 0 30 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.911 112.2 52.0 -58.4 -47.6 20.3 -11.9 0.7 311 305 A S H X S+ 0 0 84 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.911 113.0 43.0 -56.3 -50.4 19.2 -15.3 1.9 312 306 A R H X S+ 0 0 58 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.858 112.6 51.8 -66.6 -40.8 17.6 -13.9 5.2 313 307 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.5 0.917 110.2 50.3 -63.8 -43.3 15.9 -11.0 3.4 314 308 A A H X S+ 0 0 27 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.931 108.3 52.8 -56.2 -50.2 14.4 -13.4 0.9 315 309 A G H < S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.765 120.3 31.7 -58.9 -29.6 13.1 -15.7 3.7 316 310 A A H < S+ 0 0 36 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.777 136.5 16.8 -99.6 -31.9 11.3 -12.9 5.5 317 311 A Y H < S- 0 0 47 -4,-2.8 4,-0.4 -5,-0.2 -3,-0.2 0.428 108.4 -98.2-126.0 -4.6 10.2 -10.5 2.7 318 312 A G X - 0 0 34 -4,-2.1 4,-1.8 -5,-0.5 3,-0.3 0.002 41.1 -78.7 92.2 158.3 10.4 -12.4 -0.5 319 313 A E H > S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.573 123.1 63.0 -77.4 -11.1 13.1 -12.5 -3.2 320 314 A H H > S+ 0 0 132 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.941 107.1 44.4 -70.9 -51.6 12.1 -9.2 -4.8 321 315 A A H > S+ 0 0 2 -4,-0.4 4,-2.3 -3,-0.3 5,-0.2 0.951 113.9 51.1 -50.9 -54.8 12.9 -7.3 -1.6 322 316 A A H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.899 112.2 44.8 -53.3 -49.6 16.2 -9.3 -1.2 323 317 A A H X S+ 0 0 55 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.850 112.6 51.6 -67.0 -37.6 17.4 -8.6 -4.8 324 318 A E H X S+ 0 0 84 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.884 114.6 42.4 -65.2 -41.2 16.5 -4.9 -4.6 325 319 A I H < S+ 0 0 2 -4,-2.3 3,-0.3 -5,-0.2 -2,-0.2 0.945 112.5 49.9 -73.6 -51.7 18.4 -4.3 -1.3 326 320 A V H < S+ 0 0 52 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.844 106.6 59.6 -56.4 -37.9 21.6 -6.4 -2.0 327 321 A A H < S+ 0 0 73 -4,-1.4 2,-2.1 1,-0.2 -1,-0.2 0.905 94.4 60.1 -59.0 -49.4 22.0 -4.6 -5.4 328 322 A V S < S+ 0 0 57 -4,-1.0 2,-0.2 -3,-0.3 -1,-0.2 -0.364 107.8 44.9 -86.0 61.9 22.2 -1.0 -4.1 329 323 A L 0 0 52 -2,-2.1 -262,-0.1 -3,-0.3 -3,-0.0 -0.886 360.0 360.0-166.3-175.7 25.3 -1.7 -2.0 330 324 A A 0 0 109 -264,-0.4 -2,-0.0 -2,-0.2 0, 0.0 -0.665 360.0 360.0-123.5 360.0 28.8 -3.3 -1.8