==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUL-12 4G3Q . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.A.JAGTAP,S.K.VERMA,B.PRAKASH . 475 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 117 24.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 5.3 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 . 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 . 40 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 17.5 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 0 1 0 0 2 1 0 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 14 6 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 1 1 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 92 0, 0.0 101,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.5 -2.4 11.2 21.1 2 7 A T E -a 102 0A 11 99,-0.3 44,-1.7 101,-0.0 43,-1.0 -0.976 360.0-160.3-138.3 142.3 -0.2 14.1 20.0 3 8 A A E -ab 103 46A 0 99,-2.4 101,-3.2 -2,-0.4 2,-0.5 -0.978 17.0-153.8-115.5 134.8 -0.5 17.2 17.8 4 9 A V E -ab 104 47A 0 42,-2.5 44,-2.7 -2,-0.4 2,-0.4 -0.938 5.2-162.7-110.9 131.3 2.9 18.8 16.6 5 10 A L E -ab 105 48A 0 99,-3.4 101,-2.3 -2,-0.5 2,-0.5 -0.919 2.6-159.2-108.0 132.2 3.0 22.5 15.7 6 11 A V E -ab 106 49A 0 42,-2.8 44,-2.8 -2,-0.4 2,-0.7 -0.953 12.1-144.2-111.6 125.9 5.9 23.9 13.7 7 12 A L E +ab 107 50A 18 99,-2.4 101,-2.6 -2,-0.5 102,-0.3 -0.724 41.6 144.5 -92.8 112.1 6.5 27.6 14.1 8 13 A A E + b 0 51A 14 42,-2.0 44,-0.5 -2,-0.7 14,-0.2 0.004 40.0 95.7-136.8 31.6 7.6 28.9 10.8 9 14 A A + 0 0 8 42,-0.3 44,-0.4 43,-0.1 42,-0.1 0.360 50.4 114.6-112.2 9.9 5.9 32.4 10.6 10 15 A G S S- 0 0 52 1,-0.1 42,-0.2 42,-0.1 11,-0.1 -0.327 75.6-114.9 -72.1 161.4 8.7 34.7 11.9 11 16 A P - 0 0 93 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 0.795 29.5-144.8 -71.1 -31.3 10.1 37.3 9.5 12 17 A G > + 0 0 15 8,-0.1 3,-1.9 9,-0.1 4,-0.4 0.805 39.0 158.6 72.1 25.1 13.7 35.7 9.4 13 18 A T G > + 0 0 82 1,-0.3 3,-2.2 2,-0.2 4,-0.1 0.843 62.0 64.8 -57.3 -36.5 15.3 39.2 9.2 14 19 A R G 3 S+ 0 0 142 1,-0.3 222,-0.4 2,-0.1 -1,-0.3 0.678 91.0 65.2 -62.6 -19.2 18.7 38.0 10.5 15 20 A M G < S- 0 0 2 -3,-1.9 -1,-0.3 220,-0.2 -2,-0.2 0.722 94.0-147.1 -68.0 -23.0 19.1 35.8 7.3 16 21 A R < + 0 0 190 -3,-2.2 2,-0.3 -4,-0.4 -3,-0.1 0.944 51.7 134.0 49.7 55.8 19.2 39.1 5.3 17 22 A S - 0 0 37 -5,-0.3 -1,-0.2 -4,-0.1 4,-0.1 -0.972 66.9-146.6-136.5 144.0 17.4 37.2 2.4 18 23 A D S S+ 0 0 148 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.456 88.3 85.5 -83.4 -0.8 14.6 37.7 -0.0 19 24 A T S S- 0 0 67 -4,-0.1 5,-0.1 2,-0.0 -2,-0.1 -0.885 99.2-103.0 -98.4 125.2 14.1 33.9 0.3 20 25 A P > - 0 0 11 0, 0.0 3,-2.5 0, 0.0 4,-0.4 -0.222 31.6-121.3 -49.4 132.4 11.9 32.9 3.3 21 26 A K G > S+ 0 0 38 -10,-0.3 3,-1.8 1,-0.3 10,-0.3 0.796 109.5 55.3 -43.3 -49.5 14.3 31.6 6.1 22 27 A V G 3 S+ 0 0 10 1,-0.3 10,-2.5 -14,-0.2 11,-0.3 0.642 101.0 61.8 -71.1 -7.6 12.7 28.2 6.4 23 28 A L G < S+ 0 0 28 -3,-2.5 -1,-0.3 7,-0.2 -2,-0.2 0.541 76.5 110.6 -93.4 -7.9 13.3 27.6 2.6 24 29 A H < - 0 0 23 -3,-1.8 7,-1.9 -4,-0.4 2,-0.2 -0.400 63.5-133.6 -67.2 145.9 17.1 27.9 3.0 25 30 A T E +I 30 0B 91 5,-0.2 2,-0.3 6,-0.1 5,-0.2 -0.606 29.8 177.6-111.1 159.6 18.8 24.6 2.4 26 31 A L E > S-I 29 0B 5 3,-2.0 3,-1.5 -2,-0.2 8,-0.1 -0.915 77.7 -1.0-149.7 137.1 21.4 22.2 3.7 27 32 A A T 3 S- 0 0 16 -2,-0.3 244,-2.5 1,-0.3 245,-0.3 0.742 131.8 -51.6 56.9 31.9 22.3 18.8 2.3 28 33 A G T 3 S+ 0 0 48 242,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.435 120.6 84.1 93.0 -0.3 19.7 19.0 -0.5 29 34 A R E < S-I 26 0B 54 -3,-1.5 -3,-2.0 -5,-0.0 -1,-0.2 -0.998 75.7-113.2-132.6 144.7 16.6 19.9 1.6 30 35 A S E > -I 25 0B 24 -2,-0.3 4,-2.6 -5,-0.2 -5,-0.2 -0.220 36.1-109.5 -61.5 157.4 15.1 23.1 3.0 31 36 A M H > S+ 0 0 0 -7,-1.9 4,-2.4 -9,-0.3 5,-0.2 0.915 122.2 52.6 -51.8 -43.5 15.0 23.6 6.8 32 37 A L H > S+ 0 0 1 -10,-2.5 4,-3.1 1,-0.2 5,-0.2 0.932 107.7 49.1 -64.2 -45.0 11.3 23.1 6.6 33 38 A S H > S+ 0 0 13 -11,-0.3 4,-3.0 2,-0.2 5,-0.3 0.932 110.6 51.1 -57.4 -47.0 11.5 19.8 4.7 34 39 A H H X S+ 0 0 18 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.954 113.5 45.3 -53.0 -50.1 14.1 18.5 7.2 35 40 A V H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.936 114.7 46.5 -63.5 -47.1 11.8 19.4 10.1 36 41 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.887 111.0 53.2 -69.3 -32.9 8.6 17.9 8.4 37 42 A H H X S+ 0 0 44 -4,-3.0 4,-1.5 -5,-0.2 -1,-0.2 0.938 110.6 47.4 -60.0 -46.1 10.5 14.7 7.5 38 43 A A H X S+ 0 0 14 -4,-2.3 4,-0.9 -5,-0.3 -2,-0.2 0.902 115.6 44.3 -61.9 -43.3 11.5 14.2 11.1 39 44 A I H >X S+ 0 0 1 -4,-2.1 4,-1.3 1,-0.2 3,-0.6 0.907 107.8 57.7 -71.7 -40.0 8.0 14.8 12.4 40 45 A A H 3< S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 102.8 55.3 -58.0 -34.2 6.3 12.7 9.7 41 46 A K H 3< S+ 0 0 161 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.821 103.7 54.1 -70.2 -31.7 8.4 9.7 10.9 42 47 A L H << S- 0 0 39 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.807 100.8-148.6 -71.4 -28.4 7.2 10.2 14.4 43 48 A A < - 0 0 69 -4,-1.3 -3,-0.1 1,-0.1 -2,-0.1 0.894 18.7-172.4 61.9 53.4 3.6 10.0 13.0 44 49 A P - 0 0 7 0, 0.0 -41,-0.1 0, 0.0 -1,-0.1 -0.295 34.0-117.4 -66.8 158.9 1.6 12.3 15.3 45 50 A Q S S+ 0 0 106 -43,-1.0 2,-0.4 1,-0.1 -42,-0.2 0.882 100.3 29.2 -65.4 -35.9 -2.2 12.4 14.8 46 51 A R E -b 3 0A 57 -44,-1.7 -42,-2.5 2,-0.0 2,-0.4 -0.973 61.6-175.4-132.3 145.3 -2.0 16.1 13.9 47 52 A L E -b 4 0A 1 -2,-0.4 27,-2.4 -44,-0.2 2,-0.4 -0.984 11.5-179.6-143.3 113.2 0.8 18.2 12.2 48 53 A I E -bc 5 74A 0 -44,-2.7 -42,-2.8 -2,-0.4 2,-0.6 -0.984 12.8-159.1-126.1 128.1 0.2 21.9 11.9 49 54 A V E -bc 6 75A 0 25,-3.0 27,-2.2 -2,-0.4 2,-0.6 -0.948 12.7-145.0-110.3 124.7 2.6 24.4 10.3 50 55 A V E -bc 7 76A 0 -44,-2.8 -42,-2.0 -2,-0.6 2,-0.3 -0.789 24.0-177.0 -89.9 120.7 2.2 28.1 11.3 51 56 A L E -bc 8 77A 0 25,-2.6 27,-2.7 -2,-0.6 -42,-0.3 -0.828 7.4-175.4-121.4 158.5 3.0 30.4 8.5 52 57 A G - 0 0 8 -44,-0.5 4,-0.1 1,-0.4 27,-0.1 0.006 52.5 -5.5-121.9-141.6 3.1 34.2 8.2 53 58 A H S S+ 0 0 166 -44,-0.4 2,-1.2 1,-0.2 -1,-0.4 -0.314 131.4 27.7 -56.9 142.3 3.6 36.9 5.5 54 59 A D S S+ 0 0 56 -3,-0.1 2,-6.3 1,-0.1 -1,-0.2 -0.855 73.2 141.9 102.0 -83.8 4.5 35.1 2.3 55 60 A H >> + 0 0 61 -2,-1.2 4,-3.1 1,-0.2 3,-0.5 -0.084 66.8 70.1 17.6 -30.7 2.6 32.0 3.3 56 61 A Q T 34 S+ 0 0 155 -2,-6.3 -1,-0.2 1,-0.2 -3,-0.1 0.839 99.3 45.9 -61.6 -33.3 1.7 32.0 -0.4 57 62 A R T 34 S+ 0 0 133 2,-0.1 -1,-0.2 1,-0.1 4,-0.2 0.599 123.0 32.9 -82.4 -16.2 5.3 31.1 -1.2 58 63 A I T <> S+ 0 0 6 -3,-0.5 4,-2.1 2,-0.1 3,-0.5 0.744 101.0 70.8-110.9 -35.7 5.6 28.3 1.5 59 64 A A H X S+ 0 0 30 -4,-3.1 4,-1.9 1,-0.2 5,-0.1 0.832 97.5 53.6 -59.8 -35.8 2.1 26.6 1.8 60 65 A P H > S+ 0 0 70 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.890 107.7 50.8 -61.8 -40.2 2.4 24.9 -1.6 61 66 A L H > S+ 0 0 57 -3,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.895 108.7 53.2 -64.6 -37.6 5.7 23.4 -0.6 62 67 A V H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.901 109.3 47.8 -62.1 -42.8 4.0 22.2 2.5 63 68 A G H X S+ 0 0 34 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.878 110.1 52.0 -69.5 -39.5 1.2 20.5 0.5 64 69 A E H X S+ 0 0 122 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.891 111.2 48.3 -58.9 -39.8 3.8 18.9 -1.8 65 70 A L H X S+ 0 0 23 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.859 106.6 56.1 -72.5 -34.1 5.6 17.6 1.2 66 71 A A H X>S+ 0 0 9 -4,-2.1 5,-2.3 2,-0.2 4,-0.5 0.889 110.5 45.6 -60.5 -39.4 2.3 16.2 2.7 67 72 A D H ><5S+ 0 0 135 -4,-1.8 3,-0.9 3,-0.2 -2,-0.2 0.946 113.9 48.8 -68.3 -50.3 1.8 14.2 -0.5 68 73 A T H 3<5S+ 0 0 103 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.843 116.3 41.9 -55.7 -41.5 5.3 13.0 -0.5 69 74 A L H 3<5S- 0 0 46 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.534 109.8-125.5 -89.2 -2.6 5.1 12.0 3.1 70 75 A G T <<5S+ 0 0 65 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.945 73.3 89.7 60.3 57.3 1.6 10.5 2.7 71 76 A R S - 0 0 8 119,-0.2 4,-2.5 1,-0.1 -1,-0.3 -0.504 49.8 -70.9 135.5 166.8 6.1 36.4 18.8 84 89 A T H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 120,-0.2 0.841 126.3 53.9 -60.0 -34.5 6.5 32.6 19.4 85 90 A G H > S+ 0 0 0 118,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.912 111.0 46.4 -68.5 -40.5 3.8 32.4 22.1 86 91 A H H > S+ 0 0 38 117,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.888 108.2 56.5 -66.9 -36.3 1.3 34.1 19.7 87 92 A A H X S+ 0 0 5 -4,-2.5 4,-2.2 116,-0.3 -2,-0.2 0.917 106.4 50.2 -62.9 -41.6 2.4 31.8 16.9 88 93 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.928 108.4 53.3 -60.7 -43.2 1.5 28.8 19.1 89 94 A L H X S+ 0 0 73 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.927 109.6 48.1 -53.4 -46.8 -1.9 30.4 19.8 90 95 A C H < S+ 0 0 21 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.901 111.0 51.1 -62.5 -39.9 -2.4 30.6 16.1 91 96 A G H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.899 104.2 56.9 -63.1 -42.7 -1.4 27.0 15.6 92 97 A L H >< S+ 0 0 2 -4,-3.0 3,-2.2 1,-0.3 -1,-0.2 0.794 91.8 72.8 -60.5 -28.0 -3.8 25.8 18.3 93 98 A S T 3< S+ 0 0 89 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.632 87.8 60.8 -62.5 -15.0 -6.6 27.4 16.3 94 99 A A T < S+ 0 0 32 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.455 95.9 79.9 -87.1 -5.8 -6.3 24.5 13.7 95 100 A L S < S- 0 0 11 -3,-2.2 2,-0.0 -4,-0.2 -92,-0.0 -0.693 96.3 -93.8 -92.8 151.6 -7.2 22.0 16.6 96 101 A P > - 0 0 56 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.385 34.1-116.3 -56.9 146.6 -10.7 21.3 17.8 97 102 A D T 3 S+ 0 0 163 1,-0.3 -2,-0.0 -4,-0.1 -4,-0.0 0.787 118.0 48.3 -46.1 -34.8 -11.8 23.4 20.8 98 103 A D T 3 S+ 0 0 141 2,-0.0 -1,-0.3 0, 0.0 0, 0.0 0.363 78.8 147.5 -99.2 6.2 -12.0 20.1 22.7 99 104 A Y < + 0 0 17 -3,-1.9 -4,-0.0 1,-0.1 85,-0.0 -0.091 19.8 177.9 -45.0 130.2 -8.6 18.6 21.7 100 105 A A + 0 0 90 84,-0.1 84,-0.2 2,-0.1 -1,-0.1 0.529 40.2 104.7-118.0 -5.8 -7.2 16.5 24.5 101 106 A G S S- 0 0 9 1,-0.1 83,-0.4 82,-0.1 -99,-0.3 -0.147 81.1 -87.7 -67.7 169.3 -3.9 15.1 23.1 102 107 A N E -a 2 0A 32 -101,-2.4 -99,-2.4 81,-0.1 2,-0.5 -0.386 40.1-134.0 -68.8 157.7 -0.4 16.4 24.1 103 108 A V E -aD 3 182A 0 79,-2.3 79,-2.3 -101,-0.2 2,-0.4 -0.977 16.6-164.9-118.1 122.5 0.9 19.4 22.0 104 109 A V E -aD 4 181A 0 -101,-3.2 -99,-3.4 -2,-0.5 2,-0.4 -0.889 6.4-165.7-105.3 135.0 4.4 19.3 20.8 105 110 A V E +aD 5 180A 1 75,-2.6 75,-2.3 -2,-0.4 2,-0.3 -0.974 15.5 158.1-122.6 134.1 6.0 22.6 19.6 106 111 A T E -a 6 0A 0 -101,-2.3 -99,-2.4 -2,-0.4 2,-0.2 -0.949 34.8-111.4-143.0 167.5 9.2 23.0 17.6 107 112 A S E > -a 7 0A 26 -2,-0.3 3,-1.0 71,-0.2 -99,-0.2 -0.630 17.5-127.3 -96.5 158.8 10.6 25.7 15.2 108 113 A G T 3 S+ 0 0 0 -101,-2.6 -73,-0.2 1,-0.2 -100,-0.1 0.543 106.1 64.6 -78.9 -5.4 11.1 25.6 11.5 109 114 A D T 3 S+ 0 0 22 -102,-0.3 124,-1.6 1,-0.1 -1,-0.2 0.081 77.6 83.1-109.9 24.7 14.7 26.6 12.1 110 115 A T X + 0 0 2 -3,-1.0 3,-1.3 122,-0.2 122,-0.2 -0.746 54.8 167.2-115.1 76.1 16.0 23.5 14.1 111 116 A P T 3 + 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -73,-0.1 0.664 63.5 58.1 -85.6 -10.6 16.7 21.4 11.1 112 117 A L T 3 S+ 0 0 14 119,-0.4 118,-0.1 116,-0.3 120,-0.1 0.462 72.6 125.0 -90.6 4.0 18.7 18.5 12.7 113 118 A L < - 0 0 6 -3,-1.3 2,-0.3 118,-0.2 -75,-0.2 -0.355 48.6-157.4 -61.7 135.0 15.9 17.7 15.1 114 119 A D > - 0 0 54 115,-0.1 4,-2.0 1,-0.1 3,-0.3 -0.750 28.5-109.2-119.9 162.5 15.2 13.9 14.6 115 120 A A H > S+ 0 0 17 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.880 116.3 55.1 -52.2 -44.3 12.2 11.5 15.2 116 121 A D H > S+ 0 0 121 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.883 106.5 50.4 -58.6 -44.1 14.1 9.8 18.1 117 122 A T H > S+ 0 0 12 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.905 113.2 46.4 -62.1 -42.8 14.6 13.1 20.0 118 123 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.878 111.9 50.3 -65.4 -42.5 10.9 13.9 19.6 119 124 A A H X S+ 0 0 43 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.934 109.9 50.5 -64.1 -38.5 9.8 10.4 20.7 120 125 A D H X S+ 0 0 103 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.890 109.7 52.5 -63.5 -37.9 12.1 10.7 23.8 121 126 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.938 111.3 44.4 -63.3 -50.2 10.5 14.1 24.6 122 127 A I H X S+ 0 0 17 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.921 113.8 51.0 -64.9 -41.3 7.0 12.7 24.4 123 128 A A H X S+ 0 0 61 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.915 112.7 45.7 -61.7 -42.7 8.0 9.6 26.4 124 129 A T H X S+ 0 0 36 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.887 111.1 52.7 -65.7 -42.0 9.6 11.8 29.2 125 130 A H H <>S+ 0 0 5 -4,-2.5 5,-1.9 2,-0.2 4,-0.4 0.904 112.6 44.5 -60.3 -47.8 6.6 14.2 29.3 126 131 A R H ><5S+ 0 0 129 -4,-2.4 3,-0.6 -5,-0.2 -2,-0.2 0.899 112.2 53.3 -62.6 -41.4 4.2 11.3 29.8 127 132 A A H 3<5S+ 0 0 82 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.880 115.0 37.2 -62.9 -48.0 6.4 9.6 32.4 128 133 A V T 3<5S- 0 0 55 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.406 103.6-127.1 -85.0 1.7 6.8 12.6 34.7 129 134 A S T < 5 - 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0 0 110 -2,-0.3 -15,-0.2 -18,-0.1 -2,-0.1 -0.068 37.0-147.4 -46.2 146.1 24.1 10.4 -44.7 437 442 A V B -h 421 0C 10 -17,-2.3 -15,-3.6 -4,-0.1 -12,-0.1 -0.984 17.4-129.9-124.2 111.6 27.1 8.0 -44.8 438 443 A P > - 0 0 82 0, 0.0 3,-2.3 0, 0.0 5,-0.0 -0.187 40.8 -76.7 -54.4 156.2 26.4 4.4 -45.7 439 444 A P T 3 S+ 0 0 98 0, 0.0 -15,-0.2 0, 0.0 -16,-0.2 -0.255 119.3 8.1 -51.8 133.9 27.7 1.5 -43.5 440 445 A G T 3 S+ 0 0 61 -17,-1.3 2,-0.2 -18,-0.3 -15,-0.1 0.559 98.4 130.9 68.3 8.1 31.3 0.9 -44.2 441 446 A A < - 0 0 32 -3,-2.3 -15,-2.5 -19,-0.1 2,-0.5 -0.524 55.1-134.1 -81.0 155.0 31.7 4.1 -46.4 442 447 A L E -i 426 0C 115 -17,-0.2 2,-0.5 -2,-0.2 -15,-0.2 -0.986 19.9-157.8-107.6 120.7 34.5 6.6 -45.9 443 448 A A E +i 427 0C 20 -17,-2.3 -15,-2.8 -2,-0.5 2,-0.3 -0.904 20.1 166.9 -98.4 133.0 33.2 10.2 -45.9 444 449 A V + 0 0 102 -2,-0.5 -13,-0.1 -17,-0.2 -14,-0.1 -0.904 23.9 158.6-138.4 161.9 35.7 13.0 -46.7 445 450 A S + 0 0 55 -2,-0.3 -14,-0.1 -16,-0.3 -1,-0.1 0.380 41.0 114.0-155.0 -16.6 35.7 16.7 -47.7 446 451 A A - 0 0 63 -17,-0.3 3,-0.1 1,-0.1 -15,-0.1 -0.365 64.4-121.7 -65.5 137.4 39.1 18.2 -46.8 447 452 A G - 0 0 63 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.328 39.1 -81.2 -70.8 169.4 41.1 19.3 -49.9 448 453 A P - 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.336 45.7-103.9 -72.6 150.1 44.6 17.9 -50.6 449 454 A Q - 0 0 168 -3,-0.1 2,-0.4 -2,-0.1 -3,-0.0 -0.558 34.5-169.4 -69.8 134.3 47.8 19.2 -48.9 450 455 A R - 0 0 193 -2,-0.3 2,-0.5 2,-0.0 0, 0.0 -0.997 10.7-148.1-122.5 131.3 50.0 21.5 -50.9 451 456 A N - 0 0 123 -2,-0.4 2,-0.8 2,-0.0 -2,-0.0 -0.879 3.6-154.8 -94.8 129.2 53.5 22.4 -49.7 452 457 A I > - 0 0 78 -2,-0.5 3,-1.5 0, 0.0 -2,-0.0 -0.878 22.6-137.6-102.2 101.2 54.7 25.9 -50.8 453 458 A E T 3 S+ 0 0 148 -2,-0.8 -2,-0.0 1,-0.3 0, 0.0 -0.263 76.9 1.4 -65.7 140.3 58.5 25.6 -50.7 454 459 A N T 3> S+ 0 0 103 1,-0.1 4,-1.7 3,-0.1 -1,-0.3 0.637 82.6 138.0 58.2 22.1 60.5 28.5 -49.3 455 460 A W H <> + 0 0 96 -3,-1.5 4,-3.2 1,-0.2 5,-0.4 0.903 69.6 54.0 -59.9 -43.7 57.4 30.5 -48.3 456 461 A V H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 7,-0.2 0.890 105.5 51.3 -61.6 -43.0 58.9 31.4 -45.0 457 462 A Q H 4 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.908 117.7 41.6 -58.8 -39.2 62.2 32.9 -46.5 458 463 A R H < S+ 0 0 151 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.915 127.7 25.9 -76.1 -46.5 60.0 35.0 -48.8 459 464 A K H < S+ 0 0 112 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.559 130.0 35.9-101.0 -13.1 57.2 36.2 -46.5 460 465 A R S >< S- 0 0 131 -4,-2.4 3,-1.8 -5,-0.4 6,-0.5 -0.375 81.6-178.7-128.1 52.8 58.8 36.1 -43.0 461 466 A P T 3 + 0 0 96 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.263 69.6 5.8 -58.5 135.2 62.4 37.2 -44.1 462 467 A G T 3 S+ 0 0 64 1,-0.2 -5,-0.1 -5,-0.1 0, 0.0 0.559 96.0 135.2 69.0 6.4 64.9 37.4 -41.1 463 468 A S S <> S- 0 0 28 -3,-1.8 4,-2.6 -7,-0.2 5,-0.3 -0.444 75.2-105.2 -74.2 157.5 62.3 35.8 -38.6 464 469 A P H > S+ 0 0 100 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.886 124.4 54.0 -56.0 -33.7 63.5 33.1 -36.3 465 470 A A H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.911 107.9 49.0 -64.5 -41.6 61.6 30.6 -38.5 466 471 A A H > S+ 0 0 4 -6,-0.5 4,-2.4 -10,-0.2 -1,-0.2 0.947 111.9 47.9 -60.5 -48.6 63.4 31.8 -41.7 467 472 A Q H X S+ 0 0 83 -4,-2.6 4,-3.3 1,-0.2 -1,-0.2 0.889 111.8 52.5 -57.6 -39.0 66.9 31.6 -40.0 468 473 A A H X S+ 0 0 40 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.870 108.9 46.3 -68.1 -40.9 65.9 28.0 -38.8 469 474 A S H X S+ 0 0 51 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.894 114.6 50.1 -69.5 -39.1 64.9 26.7 -42.3 470 475 A K H X S+ 0 0 102 -4,-2.4 4,-1.7 -5,-0.2 3,-0.2 0.966 111.5 47.8 -51.7 -59.7 68.2 28.3 -43.6 471 476 A R H X S+ 0 0 122 -4,-3.3 4,-1.5 1,-0.2 -2,-0.2 0.827 112.8 48.2 -54.1 -38.8 70.2 26.6 -40.7 472 477 A A H < S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.833 106.8 58.5 -72.8 -34.4 68.5 23.2 -41.5 473 478 A S H < S+ 0 0 102 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.897 110.9 41.6 -54.5 -48.3 69.2 23.6 -45.2 474 479 A E H < 0 0 123 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.1 0.990 360.0 360.0 -67.1 -66.0 73.0 23.9 -44.5 475 480 A M < 0 0 180 -4,-1.5 0, 0.0 0, 0.0 0, 0.0 0.105 360.0 360.0 -46.3 360.0 73.9 21.2 -41.9