==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUL-11 3SPT . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.A.JAGTAP,B.PRAKASH . 474 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 5.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 48 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 0 2 1 1 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 11 9 1 1 3 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 . 2 1 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 120 0, 0.0 101,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 141.3 37.2 20.0 20.4 2 7 A T E -a 102 0A 8 99,-0.3 44,-1.4 101,-0.0 43,-1.2 -0.998 360.0-146.3-148.2 143.0 33.6 20.9 21.1 3 8 A A E -ab 103 46A 0 99,-3.6 101,-2.9 -2,-0.3 2,-0.5 -0.950 17.0-151.0-106.5 132.7 31.6 23.3 23.4 4 9 A V E -ab 104 47A 0 42,-2.7 44,-2.8 -2,-0.4 2,-0.4 -0.900 9.2-165.9-104.7 125.2 28.1 22.1 24.7 5 10 A L E -ab 105 48A 0 99,-3.3 101,-2.4 -2,-0.5 2,-0.6 -0.932 3.3-161.6-107.2 135.4 25.5 24.7 25.4 6 11 A V E -ab 106 49A 0 42,-2.7 44,-2.8 -2,-0.4 2,-0.6 -0.962 11.1-146.6-117.4 115.3 22.4 23.8 27.4 7 12 A L E +ab 107 50A 19 99,-2.8 101,-2.7 -2,-0.6 102,-0.2 -0.731 39.2 145.0 -85.2 119.8 19.5 26.2 27.1 8 13 A A E + b 0 51A 12 42,-2.3 44,-0.5 -2,-0.6 -1,-0.1 -0.048 39.6 97.3-143.2 30.3 17.6 26.3 30.3 9 14 A A + 0 0 9 42,-0.3 44,-0.4 43,-0.1 42,-0.1 0.293 50.8 114.2-108.7 10.6 16.5 30.0 30.5 10 15 A G S S- 0 0 47 42,-0.1 42,-0.2 1,-0.1 11,-0.1 -0.300 75.1-114.9 -77.8 166.1 12.9 29.7 29.2 11 16 A P - 0 0 97 0, 0.0 10,-0.2 0, 0.0 -1,-0.1 0.683 27.5-140.6 -82.9 -9.8 10.0 30.5 31.5 12 17 A G > + 0 0 16 8,-0.1 3,-1.8 1,-0.1 5,-0.4 0.824 37.4 164.4 59.9 30.9 8.5 26.9 31.6 13 18 A T G > + 0 0 86 1,-0.3 3,-2.3 2,-0.2 4,-0.1 0.886 65.1 60.2 -44.5 -52.1 4.9 28.4 31.5 14 19 A R G 3 S+ 0 0 138 1,-0.3 222,-0.5 2,-0.1 -1,-0.3 0.638 94.3 65.6 -65.9 -8.1 3.1 25.1 30.6 15 20 A M G < S- 0 0 3 -3,-1.8 -1,-0.3 220,-0.2 -2,-0.2 0.679 89.4-151.1 -75.9 -23.2 4.4 23.4 33.8 16 21 A R < + 0 0 195 -3,-2.3 2,-0.3 -4,-0.4 -3,-0.1 0.872 48.3 131.6 42.9 58.5 2.3 25.8 35.8 17 22 A S - 0 0 35 -5,-0.4 -1,-0.2 2,-0.2 4,-0.1 -0.923 66.0-143.6-133.1 151.1 4.8 25.5 38.7 18 23 A D S S+ 0 0 155 -2,-0.3 -2,-0.0 -3,-0.1 -1,-0.0 0.211 89.4 86.7 -90.4 10.2 6.7 27.9 41.0 19 24 A T S S- 0 0 61 -4,-0.1 -2,-0.2 2,-0.0 5,-0.1 -0.955 96.9-109.3-112.1 124.8 9.5 25.4 40.7 20 25 A P > - 0 0 11 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.354 27.6-121.0 -58.8 137.0 11.6 26.1 37.7 21 26 A K G > S+ 0 0 38 1,-0.3 3,-4.0 2,-0.2 10,-0.3 0.913 108.7 57.9 -40.2 -70.8 11.1 23.4 35.0 22 27 A V G 3 S+ 0 0 9 1,-0.3 10,-2.1 9,-0.1 9,-0.6 0.737 101.4 60.3 -33.2 -36.0 14.6 22.2 34.8 23 28 A L G < S+ 0 0 25 -3,-1.5 -1,-0.3 7,-0.2 2,-0.2 0.450 75.5 113.3 -79.6 -1.9 14.5 21.4 38.5 24 29 A H < - 0 0 20 -3,-4.0 7,-2.4 -4,-0.2 2,-0.2 -0.549 61.8-136.8 -75.2 137.7 11.6 18.9 38.1 25 30 A T E +I 30 0B 92 5,-0.3 2,-0.3 -2,-0.2 5,-0.3 -0.629 28.1 174.8-102.2 147.4 12.8 15.4 39.0 26 31 A L E > S+I 29 0B 7 3,-2.2 3,-1.7 -2,-0.2 8,-0.1 -0.907 77.2 0.2-140.1 143.0 12.3 11.9 37.5 27 32 A A T 3 S- 0 0 13 -2,-0.3 244,-2.4 1,-0.3 245,-0.3 0.750 132.8 -51.0 57.1 31.7 14.1 8.8 38.8 28 33 A G T 3 S+ 0 0 47 242,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.404 120.5 84.0 95.3 -4.0 16.0 10.7 41.6 29 34 A R E < S-I 26 0B 51 -3,-1.7 -3,-2.2 -5,-0.0 -1,-0.2 -0.989 76.5-114.3-132.2 145.0 17.5 13.5 39.4 30 35 A S E > -I 25 0B 19 -2,-0.4 4,-2.6 -5,-0.3 -5,-0.3 -0.300 36.5-112.5 -62.9 151.5 16.3 16.9 38.1 31 36 A M H > S+ 0 0 0 -7,-2.4 4,-2.9 -9,-0.6 5,-0.2 0.938 121.2 53.2 -54.5 -43.0 16.0 17.1 34.3 32 37 A L H > S+ 0 0 0 -10,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.943 107.8 50.1 -56.8 -49.3 18.9 19.5 34.3 33 38 A S H > S+ 0 0 13 -11,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.902 110.2 50.0 -57.4 -44.7 21.0 17.0 36.3 34 39 A H H X S+ 0 0 17 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.928 111.0 48.9 -51.7 -54.5 20.1 14.2 33.8 35 40 A V H X S+ 0 0 2 -4,-2.9 4,-2.1 73,-0.2 -2,-0.2 0.947 114.6 46.3 -54.5 -46.3 21.1 16.4 30.9 36 41 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.839 108.9 52.7 -70.9 -36.5 24.4 17.4 32.6 37 42 A H H X S+ 0 0 43 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.912 110.6 50.5 -58.5 -42.5 25.4 13.9 33.6 38 43 A A H X S+ 0 0 14 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.948 113.4 43.1 -62.4 -49.9 24.9 12.9 30.1 39 44 A I H >X S+ 0 0 1 -4,-2.1 3,-0.9 1,-0.2 4,-0.9 0.895 109.1 57.1 -64.3 -41.6 27.1 15.6 28.6 40 45 A A H >< S+ 0 0 20 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.851 99.5 59.7 -63.7 -32.6 29.8 15.2 31.2 41 46 A K H 3< S+ 0 0 158 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.803 103.1 53.4 -57.0 -32.6 30.2 11.5 30.2 42 47 A L H << S- 0 0 41 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.742 101.7-146.1 -76.4 -22.4 31.0 12.9 26.8 43 48 A A << - 0 0 62 -4,-0.9 -3,-0.2 -3,-0.7 -2,-0.1 0.904 21.5-172.1 61.0 48.8 33.7 15.1 28.4 44 49 A P - 0 0 5 0, 0.0 -41,-0.1 0, 0.0 -1,-0.1 -0.290 31.7-119.5 -68.0 163.5 33.4 18.1 26.1 45 50 A Q S S+ 0 0 95 -43,-1.2 2,-0.4 1,-0.2 -42,-0.2 0.907 97.2 26.6 -68.7 -43.8 36.1 20.9 26.5 46 51 A R E -b 3 0A 53 -44,-1.4 -42,-2.7 2,-0.0 2,-0.4 -0.947 62.2-176.6-125.0 145.3 33.5 23.5 27.4 47 52 A L E -b 4 0A 1 -2,-0.4 27,-2.5 25,-0.2 2,-0.4 -0.978 9.0-179.8-142.5 120.6 30.1 23.2 28.9 48 53 A I E -bc 5 74A 0 -44,-2.8 -42,-2.7 -2,-0.4 2,-0.5 -0.993 13.5-158.1-128.4 129.7 27.8 26.2 29.3 49 54 A V E -bc 6 75A 0 25,-3.1 27,-2.4 -2,-0.4 2,-0.7 -0.905 13.9-145.1-108.6 128.9 24.3 26.4 30.9 50 55 A V E -bc 7 76A 0 -44,-2.8 -42,-2.3 -2,-0.5 2,-0.3 -0.893 23.4-172.4 -99.7 120.0 22.2 29.4 29.8 51 56 A L E -bc 8 77A 0 25,-2.9 27,-2.5 -2,-0.7 -42,-0.3 -0.750 7.3-156.1-112.7 156.1 20.0 30.5 32.7 52 57 A G > - 0 0 1 -44,-0.5 3,-2.4 -2,-0.3 4,-0.1 0.006 54.7 -42.0-112.6-144.2 17.2 33.1 33.0 53 58 A H T 3 S+ 0 0 155 -44,-0.4 3,-0.5 1,-0.3 26,-0.1 0.834 133.2 52.8 -69.9 -27.2 15.5 35.2 35.6 54 59 A D T >> S+ 0 0 34 1,-0.2 3,-1.9 2,-0.1 4,-0.9 0.131 70.4 123.8 -87.6 24.9 15.5 32.4 38.2 55 60 A H H <> + 0 0 45 -3,-2.4 4,-3.2 1,-0.3 3,-0.2 0.751 63.4 68.0 -53.1 -27.0 19.3 31.8 37.7 56 61 A Q H 34 S+ 0 0 148 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.754 103.4 42.0 -70.2 -24.8 19.7 32.3 41.4 57 62 A R H <4 S+ 0 0 132 -3,-1.9 4,-0.3 2,-0.1 -1,-0.2 0.621 123.6 36.9 -91.7 -15.4 17.9 29.1 42.3 58 63 A I H >X S+ 0 0 3 -4,-0.9 4,-2.0 -3,-0.2 3,-0.7 0.829 100.7 70.2-100.0 -41.4 19.5 27.1 39.5 59 64 A A H 3X S+ 0 0 32 -4,-3.2 4,-2.1 1,-0.3 -3,-0.1 0.839 99.1 52.1 -48.3 -41.2 23.1 28.4 39.4 60 65 A P H 3> S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.899 107.5 50.0 -65.4 -44.4 23.9 26.8 42.8 61 66 A L H <> S+ 0 0 68 -3,-0.7 4,-2.3 -4,-0.3 -2,-0.2 0.834 107.5 57.0 -55.9 -33.6 22.6 23.3 41.7 62 67 A V H X S+ 0 0 1 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.966 106.8 47.8 -62.9 -46.3 24.8 23.8 38.6 63 68 A G H X S+ 0 0 40 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.922 108.4 54.9 -59.4 -46.6 27.9 24.3 40.9 64 69 A E H X S+ 0 0 131 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.944 112.3 43.2 -49.5 -49.9 26.9 21.2 42.9 65 70 A L H X S+ 0 0 18 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.879 109.9 55.3 -69.8 -40.4 26.8 19.1 39.7 66 71 A A H X>S+ 0 0 12 -4,-3.1 5,-2.0 2,-0.2 4,-0.7 0.985 111.3 46.2 -50.6 -54.4 30.1 20.7 38.5 67 72 A D H ><5S+ 0 0 142 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.922 115.7 45.5 -53.7 -50.9 31.6 19.5 41.8 68 73 A T H 3<5S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.877 114.0 48.3 -58.3 -43.0 30.1 16.0 41.5 69 74 A L H 3<5S- 0 0 44 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.501 109.6-124.0 -81.3 -1.6 31.0 15.6 37.9 70 75 A G T <<5S+ 0 0 69 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.2 0.875 73.3 95.1 65.4 41.2 34.6 16.7 38.6 71 76 A R S - 0 0 8 119,-0.3 4,-2.7 1,-0.1 -1,-0.3 -0.461 48.6 -80.6 130.1 160.8 14.0 32.9 22.0 84 89 A T H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 120,-0.2 0.802 126.4 54.6 -67.0 -31.0 16.2 29.9 21.6 85 90 A G H > S+ 0 0 0 118,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.945 110.7 45.8 -66.1 -42.6 18.3 31.7 19.0 86 91 A H H > S+ 0 0 44 117,-0.8 4,-2.5 1,-0.2 -2,-0.2 0.888 109.4 56.6 -66.7 -41.4 18.9 34.6 21.5 87 92 A A H X S+ 0 0 4 -4,-2.7 4,-2.4 116,-0.3 -1,-0.2 0.884 104.5 51.3 -57.1 -44.9 19.6 32.0 24.2 88 93 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.883 106.2 54.8 -63.3 -37.8 22.4 30.5 22.1 89 94 A L H X S+ 0 0 70 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.959 108.1 50.7 -57.5 -48.1 23.9 34.0 21.6 90 95 A C H >< S+ 0 0 19 -4,-2.5 3,-0.7 1,-0.2 4,-0.4 0.956 110.1 49.0 -52.8 -48.6 24.0 34.4 25.3 91 96 A G H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.885 105.9 57.2 -59.1 -40.4 25.7 31.0 25.7 92 97 A L H >< S+ 0 0 3 -4,-2.6 3,-2.7 1,-0.3 -1,-0.3 0.857 92.3 69.9 -59.7 -30.3 28.3 32.0 23.0 93 98 A S T << S+ 0 0 93 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.729 92.5 59.7 -64.2 -15.6 29.2 35.0 25.1 94 99 A A T < S+ 0 0 31 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.470 94.7 76.0 -94.9 1.3 30.8 32.6 27.6 95 100 A L S < S- 0 0 6 -3,-2.7 -92,-0.0 -4,-0.2 -49,-0.0 -0.737 99.8 -90.8 -99.5 154.1 33.2 31.1 24.9 96 101 A P > - 0 0 58 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.383 37.7-116.9 -59.1 146.0 36.3 33.1 23.7 97 102 A D T 3 S+ 0 0 145 1,-0.3 -3,-0.0 -4,-0.1 -2,-0.0 0.722 117.3 47.6 -54.3 -26.4 35.5 35.3 20.7 98 103 A D T 3 S+ 0 0 136 2,-0.0 -1,-0.3 0, 0.0 0, 0.0 0.169 78.4 147.7-100.3 15.6 38.0 33.2 18.7 99 104 A Y < - 0 0 33 -3,-2.2 -4,-0.0 1,-0.1 0, 0.0 -0.240 21.2-179.8 -52.5 136.6 36.6 29.8 19.8 100 105 A A + 0 0 91 84,-0.1 84,-0.2 2,-0.1 -1,-0.1 0.393 41.7 101.2-124.0 -0.1 37.1 27.4 16.9 101 106 A G S S- 0 0 12 1,-0.1 83,-0.6 82,-0.1 -99,-0.3 -0.143 82.5 -81.3 -69.0 174.8 35.7 24.1 18.2 102 107 A N E -aD 2 183A 31 -101,-2.4 -99,-3.6 81,-0.1 2,-0.5 -0.469 38.3-137.1 -72.0 153.5 32.2 22.7 17.3 103 108 A V E -aD 3 182A 0 79,-2.2 79,-2.5 -101,-0.2 2,-0.5 -0.971 15.1-167.9-113.6 117.2 29.2 23.9 19.2 104 109 A V E -aD 4 181A 1 -101,-2.9 -99,-3.3 -2,-0.5 2,-0.4 -0.915 8.3-161.2 -99.6 132.6 26.6 21.4 20.3 105 110 A V E +aD 5 180A 1 75,-1.9 75,-2.3 -2,-0.5 2,-0.3 -0.945 17.5 161.1-112.4 136.2 23.3 22.9 21.5 106 111 A T E -a 6 0A 0 -101,-2.4 -99,-2.8 -2,-0.4 2,-0.3 -0.932 32.5-109.9-143.7 166.1 20.9 21.1 23.6 107 112 A S E > -a 7 0A 27 -2,-0.3 3,-0.8 -101,-0.2 -99,-0.2 -0.702 16.2-131.3 -94.6 155.2 17.9 21.8 25.9 108 113 A G T 3 S+ 0 0 2 -101,-2.7 -73,-0.2 -2,-0.3 -100,-0.1 0.544 104.1 62.6 -75.9 -2.7 17.6 21.5 29.6 109 114 A D T 3 S+ 0 0 20 -102,-0.2 124,-1.5 1,-0.1 -1,-0.2 0.003 74.6 88.9-110.7 28.0 14.3 19.6 29.1 110 115 A T X + 0 0 2 -3,-0.8 3,-1.7 122,-0.2 122,-0.1 -0.602 51.5 170.0-119.6 65.1 15.4 16.5 27.1 111 116 A P T 3 + 0 0 4 0, 0.0 -1,-0.1 0, 0.0 121,-0.1 0.457 66.8 53.7 -67.3 -7.0 16.2 14.3 30.1 112 117 A L T 3 S+ 0 0 14 119,-0.4 118,-0.1 116,-0.3 120,-0.1 0.336 75.1 126.0-101.3 2.2 16.8 10.9 28.3 113 118 A L < - 0 0 6 -3,-1.7 2,-0.3 118,-0.2 -75,-0.1 -0.384 48.0-157.7 -62.2 137.6 19.3 12.4 26.1 114 119 A D > - 0 0 52 1,-0.1 4,-1.8 115,-0.1 3,-0.3 -0.837 29.9-113.5-126.2 158.6 22.4 10.2 26.4 115 120 A A H > S+ 0 0 8 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.878 114.2 56.8 -53.9 -40.7 26.2 10.5 25.8 116 121 A D H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 106.7 48.9 -59.9 -42.7 26.0 7.9 23.0 117 122 A T H > S+ 0 0 13 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.902 113.6 47.3 -64.9 -35.7 23.5 9.9 21.0 118 123 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.927 110.5 50.3 -72.6 -44.1 25.6 13.1 21.4 119 124 A A H X S+ 0 0 47 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.935 111.7 49.9 -58.0 -45.5 28.8 11.3 20.4 120 125 A D H X S+ 0 0 106 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.865 108.8 52.8 -56.2 -40.6 27.0 10.0 17.3 121 126 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.947 112.0 44.1 -62.5 -49.4 25.7 13.5 16.5 122 127 A I H X S+ 0 0 18 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.960 113.3 50.5 -62.9 -52.3 29.3 14.9 16.7 123 128 A A H X S+ 0 0 59 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.931 113.6 46.3 -48.4 -49.2 30.8 12.0 14.6 124 129 A T H X S+ 0 0 35 -4,-2.7 4,-2.1 2,-0.2 6,-0.2 0.946 109.3 53.5 -58.6 -52.1 28.0 12.5 11.9 125 130 A H H <>S+ 0 0 4 -4,-2.7 5,-1.7 1,-0.2 4,-0.2 0.876 115.0 42.1 -49.0 -43.7 28.4 16.3 11.8 126 131 A R H ><5S+ 0 0 135 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.917 109.2 57.6 -69.9 -46.0 32.2 15.7 11.2 127 132 A A H 3<5S+ 0 0 84 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.853 117.7 32.6 -56.9 -33.9 31.8 12.9 8.7 128 133 A V T 3<5S- 0 0 54 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.362 103.0-128.1-105.8 3.8 29.6 15.0 6.4 129 134 A S T < 5 - 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0 0 99 -2,-0.3 -15,-0.2 -18,-0.1 -2,-0.1 -0.182 36.7-139.0 -50.1 146.7 18.2 1.4 85.8 437 442 A V B -h 421 0C 9 -17,-2.8 -15,-3.7 -4,-0.1 -12,-0.1 -0.946 17.0-129.6-114.3 115.9 17.7 -2.4 85.8 438 443 A P > - 0 0 84 0, 0.0 3,-2.5 0, 0.0 5,-0.0 -0.213 40.5 -82.1 -56.6 147.5 20.8 -4.5 86.8 439 444 A P T 3 S+ 0 0 95 0, 0.0 -15,-0.2 0, 0.0 -16,-0.2 -0.149 117.7 12.7 -38.4 140.0 21.9 -7.4 84.6 440 445 A G T 3 S+ 0 0 61 -17,-1.9 2,-0.2 -18,-0.3 -15,-0.1 0.539 99.3 127.6 66.0 3.6 19.8 -10.4 85.4 441 446 A A < - 0 0 33 -3,-2.5 -15,-2.6 -18,-0.2 2,-0.6 -0.530 56.6-131.1 -89.5 157.4 17.2 -8.5 87.4 442 447 A L E -i 426 0C 112 -17,-0.2 2,-0.5 -2,-0.2 -15,-0.2 -0.959 20.9-159.8-101.6 120.7 13.4 -8.6 86.9 443 448 A A E +i 427 0C 20 -17,-2.7 -15,-2.0 -2,-0.6 2,-0.3 -0.881 20.3 161.3 -98.2 127.9 11.8 -5.1 86.8 444 449 A V + 0 0 95 -2,-0.5 -13,-0.1 -17,-0.2 -14,-0.1 -0.942 19.9 163.5-134.2 162.4 8.1 -4.8 87.6 445 450 A S + 0 0 49 -2,-0.3 -14,-0.1 -16,-0.3 -1,-0.1 0.473 40.7 110.7-146.0 -24.1 5.7 -2.0 88.6 446 451 A A - 0 0 67 -17,-0.3 3,-0.1 -16,-0.1 -15,-0.1 -0.231 68.0-116.5 -55.1 143.4 2.0 -3.0 87.9 447 452 A G - 0 0 63 1,-0.2 -1,-0.1 -3,-0.0 -2,-0.1 -0.156 44.6 -71.7 -73.3 174.8 -0.0 -3.6 91.1 448 453 A P - 0 0 130 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.368 54.0-101.1 -65.8 145.0 -1.5 -7.0 92.0 449 454 A Q - 0 0 169 -3,-0.1 2,-0.4 -2,-0.0 -3,-0.0 -0.398 37.1-163.1 -57.2 136.4 -4.5 -8.3 90.0 450 455 A R - 0 0 198 -2,-0.1 2,-0.6 -3,-0.1 -3,-0.0 -0.989 4.1-156.8-126.5 119.3 -7.7 -7.8 91.9 451 456 A N - 0 0 114 -2,-0.4 2,-0.8 4,-0.0 -2,-0.0 -0.896 3.8-159.7 -94.4 117.5 -10.8 -9.8 90.8 452 457 A I > - 0 0 95 -2,-0.6 3,-1.1 2,-0.0 2,-0.1 -0.888 18.5-142.1 -98.4 107.7 -14.0 -8.2 91.8 453 458 A E T 3 S+ 0 0 159 -2,-0.8 -2,-0.0 1,-0.2 0, 0.0 -0.403 75.9 9.9 -75.1 142.2 -16.6 -10.9 91.7 454 459 A N T 3> S+ 0 0 106 -2,-0.1 4,-1.5 1,-0.1 -1,-0.2 0.616 82.6 132.5 69.9 14.0 -20.2 -10.2 90.5 455 460 A W H <> + 0 0 100 -3,-1.1 4,-2.2 1,-0.2 5,-0.4 0.874 68.4 53.6 -64.0 -33.2 -19.2 -6.8 89.3 456 461 A V H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 7,-0.3 0.892 107.9 46.7 -74.6 -36.1 -20.9 -7.3 86.0 457 462 A Q H 4 S+ 0 0 56 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.826 119.8 42.9 -68.0 -34.6 -24.3 -8.3 87.4 458 463 A R H < S+ 0 0 193 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.705 126.9 26.2 -86.9 -27.2 -24.1 -5.3 89.8 459 464 A K H < S+ 0 0 120 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.592 132.2 31.2-115.2 -18.8 -22.8 -2.6 87.5 460 465 A R S >< S- 0 0 131 -4,-2.0 3,-2.0 -5,-0.4 6,-0.5 -0.286 85.1-172.1-131.5 54.5 -23.9 -3.8 84.1 461 466 A P T 3 - 0 0 92 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.563 66.7 -3.3 -87.8 158.8 -27.3 -5.6 84.6 462 467 A G T 3 S+ 0 0 57 1,-0.3 -5,-0.1 -2,-0.2 -4,-0.0 0.075 91.1 139.2 -93.0 73.1 -28.8 -7.3 82.4 463 468 A S S <> S- 0 0 29 -3,-2.0 4,-2.4 -7,-0.3 -1,-0.3 -0.327 75.4 -97.1 -54.1 158.9 -26.3 -6.3 79.7 464 469 A P H > S+ 0 0 105 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.858 129.8 55.2 -50.2 -36.4 -25.5 -9.2 77.3 465 470 A A H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.878 105.3 48.5 -65.4 -46.6 -22.4 -9.7 79.6 466 471 A A H > S+ 0 0 4 -6,-0.5 4,-2.0 -10,-0.2 -1,-0.2 0.912 113.9 49.0 -57.7 -44.8 -24.5 -10.0 82.8 467 472 A Q H X S+ 0 0 106 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.951 111.4 47.6 -63.7 -45.3 -26.7 -12.5 81.0 468 473 A A H X S+ 0 0 45 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.871 113.2 49.7 -60.4 -38.2 -23.7 -14.6 79.7 469 474 A S H X S+ 0 0 51 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.835 108.4 51.1 -71.8 -37.7 -22.2 -14.6 83.2 470 475 A K H X S+ 0 0 128 -4,-2.0 4,-0.6 1,-0.2 3,-0.5 0.919 108.5 53.5 -65.1 -43.2 -25.5 -15.7 84.8 471 476 A R H >< S+ 0 0 146 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.838 101.4 60.8 -57.2 -35.1 -25.6 -18.6 82.3 472 477 A A H 3< S+ 0 0 79 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.855 90.1 66.7 -69.7 -33.3 -22.1 -19.6 83.3 473 478 A S H 3< 0 0 101 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.845 360.0 360.0 -43.8 -39.7 -23.2 -20.2 87.0 474 479 A E << 0 0 175 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.876 360.0 360.0 -83.1 360.0 -25.2 -23.1 85.5