==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAY-07 2V0H . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR I.MOCHALKIN,S.LIGHTLE,J.F.OHREN,N.Y.CHIRGADZE . 449 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 5.6 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 . 0 0.0 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 . 1 0.2 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 . 49 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 0 2 2 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 15 4 3 1 2 1 0 1 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 . 1 1 0 1 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 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 1 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 4 A K 0 0 155 0, 0.0 93,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.7 85.8 61.3 39.2 2 5 A A - 0 0 41 91,-0.4 93,-2.5 1,-0.0 2,-0.3 -0.045 360.0-148.9 -65.4 172.0 86.6 59.2 36.0 3 6 A L E +a 95 0A 14 41,-0.4 43,-3.3 91,-0.2 44,-0.5 -0.998 16.1 178.8-146.2 139.2 85.6 55.6 35.6 4 7 A S E -a 96 0A 0 91,-2.1 93,-1.9 -2,-0.3 2,-0.3 -0.949 18.2-140.6-132.9 160.8 86.9 52.6 33.7 5 8 A A E -ab 97 48A 0 42,-2.3 44,-3.0 -2,-0.3 2,-0.4 -0.865 4.4-153.4-119.6 151.3 85.6 49.0 33.6 6 9 A V E -ab 98 49A 0 91,-2.3 93,-3.0 -2,-0.3 2,-0.5 -0.999 13.8-162.8-118.5 129.2 87.1 45.5 33.7 7 10 A I E -ab 99 50A 0 42,-2.7 44,-2.5 -2,-0.4 2,-0.6 -0.963 11.9-143.2-116.8 120.9 85.1 42.8 32.0 8 11 A L E +ab 100 51A 21 91,-2.4 93,-2.8 -2,-0.5 94,-0.3 -0.724 41.2 144.4 -84.9 118.3 85.9 39.1 32.8 9 12 A A + 0 0 2 42,-2.3 44,-0.5 -2,-0.6 14,-0.3 0.066 28.7 106.9-147.5 26.8 85.5 37.2 29.5 10 13 A A + 0 0 7 42,-0.3 44,-2.0 43,-0.1 42,-0.1 0.496 46.9 123.7 -93.8 -6.0 88.1 34.4 29.3 11 14 A G - 0 0 17 42,-0.1 11,-1.6 1,-0.1 12,-0.4 -0.201 56.1-144.8 -70.7 148.2 86.0 31.3 30.1 12 15 A K - 0 0 125 9,-0.2 6,-0.2 10,-0.1 -1,-0.1 0.791 26.7-144.7 -74.0 -32.7 85.7 28.2 27.8 13 16 A G > + 0 0 11 8,-0.2 3,-1.8 2,-0.1 5,-0.4 0.963 24.9 179.0 63.0 53.2 82.0 27.7 28.8 14 17 A T G > S+ 0 0 94 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.819 72.3 59.9 -55.8 -38.5 82.3 23.9 28.6 15 18 A R G 3 S+ 0 0 136 209,-0.3 211,-0.5 1,-0.3 -1,-0.3 0.410 92.1 67.9 -80.1 1.9 78.7 23.3 29.6 16 19 A M G < S- 0 0 3 -3,-1.8 -1,-0.3 209,-0.2 -2,-0.2 0.584 95.9-143.7 -82.0 -18.8 77.5 25.2 26.5 17 20 A Y < + 0 0 193 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.1 0.939 53.0 132.3 50.5 58.4 79.0 22.3 24.5 18 21 A S S S- 0 0 41 -5,-0.4 -1,-0.2 2,-0.3 -2,-0.1 -0.909 71.8-130.5-138.1 154.2 80.1 24.8 21.8 19 22 A D S S+ 0 0 164 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.587 91.1 86.1 -79.1 -14.7 83.0 25.7 19.7 20 23 A L S S- 0 0 51 1,-0.1 -2,-0.3 -7,-0.1 -4,-0.1 -0.577 88.8-109.6 -80.1 150.6 82.4 29.3 20.8 21 24 A P > - 0 0 4 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.385 42.1 -94.5 -72.1 163.3 83.9 30.7 24.1 22 25 A K G > S+ 0 0 27 -11,-1.6 3,-0.8 1,-0.3 10,-0.2 0.795 116.8 46.6 -51.5 -45.0 81.4 31.3 26.9 23 26 A V G 3 S+ 0 0 2 -12,-0.4 10,-2.1 -14,-0.3 11,-0.3 0.472 95.3 72.3 -89.1 -1.5 80.6 35.0 26.4 24 27 A L G < + 0 0 4 -3,-1.4 -1,-0.2 7,-0.2 -2,-0.1 0.616 68.0 110.2 -86.9 -13.5 80.0 35.1 22.6 25 28 A H S < S- 0 0 6 -3,-0.8 7,-2.3 -4,-0.4 2,-0.2 -0.391 73.1-114.9 -61.3 138.9 76.7 33.3 22.9 26 29 A T E -I 31 0B 74 5,-0.3 2,-0.4 6,-0.1 -1,-0.1 -0.489 27.4-170.2 -91.0 147.1 73.9 35.8 22.0 27 30 A I E > S-I 30 0B 0 3,-2.8 3,-1.6 -2,-0.2 203,-0.0 -0.996 88.4 -7.6-121.5 126.2 71.1 37.4 24.0 28 31 A A T 3 S- 0 0 7 -2,-0.4 -1,-0.1 1,-0.3 230,-0.0 0.873 133.6 -53.9 55.0 40.2 68.6 39.3 21.7 29 32 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 249,-0.1 231,-0.1 0.434 121.9 98.9 80.8 2.6 71.0 38.8 18.7 30 33 A K E < S-I 27 0B 68 -3,-1.6 -3,-2.8 -5,-0.0 -1,-0.2 -0.972 81.6-103.4-128.9 130.1 74.0 40.3 20.5 31 34 A P E >> -I 26 0B 25 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.191 33.2-118.8 -49.1 142.2 76.9 38.4 22.3 32 35 A M H 3> S+ 0 0 0 -7,-2.3 4,-1.4 1,-0.3 3,-0.4 0.887 115.5 52.9 -51.1 -44.5 76.5 38.4 26.1 33 36 A V H 3> S+ 0 0 0 -10,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.822 101.9 59.4 -65.0 -31.1 79.8 40.3 26.4 34 37 A K H <> S+ 0 0 43 -3,-0.8 4,-2.4 -11,-0.3 -1,-0.2 0.865 101.6 54.5 -65.5 -37.1 78.6 43.0 24.0 35 38 A H H X S+ 0 0 12 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.924 111.1 45.5 -57.2 -44.7 75.7 43.8 26.3 36 39 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.896 111.3 51.3 -70.4 -41.5 78.2 44.3 29.1 37 40 A I H X S+ 0 0 5 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.936 111.2 48.9 -57.5 -48.2 80.5 46.5 27.0 38 41 A D H X S+ 0 0 44 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.903 111.1 49.3 -60.8 -42.4 77.6 48.7 25.9 39 42 A T H X S+ 0 0 15 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.902 110.0 51.2 -64.2 -41.7 76.4 49.1 29.5 40 43 A A H <>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 4,-0.5 0.879 111.0 49.7 -61.5 -38.3 80.0 50.0 30.6 41 44 A H H ><5S+ 0 0 119 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.898 109.9 47.9 -69.7 -42.6 80.1 52.6 27.8 42 45 A Q H 3<5S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.725 103.8 63.6 -73.0 -18.5 76.7 54.2 28.7 43 46 A L T 3<5S- 0 0 23 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.684 125.3-104.0 -72.5 -20.8 77.9 54.3 32.3 44 47 A G T < 5 + 0 0 52 -3,-1.0 -41,-0.4 -4,-0.5 -3,-0.2 0.654 55.5 174.8 104.9 24.5 80.7 56.7 31.1 45 48 A S < - 0 0 11 -5,-1.9 -41,-0.3 1,-0.2 -1,-0.2 -0.419 20.6-164.3 -67.3 129.0 83.7 54.3 31.1 46 49 A E S S+ 0 0 117 -43,-3.3 2,-0.4 1,-0.2 -42,-0.2 0.908 80.4 19.7 -77.2 -47.5 86.8 55.9 29.7 47 50 A N - 0 0 56 -44,-0.5 -42,-2.3 2,-0.0 2,-0.5 -0.941 65.0-160.5-119.6 146.8 88.6 52.6 29.3 48 51 A I E -b 5 0A 8 -2,-0.4 21,-2.8 -44,-0.2 2,-0.8 -0.950 11.3-157.1-124.7 109.8 87.0 49.1 29.1 49 52 A H E -bc 6 69A 2 -44,-3.0 -42,-2.7 -2,-0.5 2,-0.8 -0.784 6.1-158.9 -91.7 110.7 89.6 46.4 29.8 50 53 A L E -bc 7 70A 0 19,-2.4 21,-2.4 -2,-0.8 2,-0.8 -0.801 2.7-155.6 -94.9 108.0 88.4 43.1 28.3 51 54 A I E +bc 8 71A 0 -44,-2.5 -42,-2.3 -2,-0.8 2,-0.3 -0.749 29.5 165.3 -81.7 112.0 90.1 40.0 30.0 52 55 A Y E + c 0 72A 20 19,-2.0 21,-2.8 -2,-0.8 -42,-0.3 -0.821 17.9 138.3-127.8 165.2 89.9 37.3 27.3 53 56 A G > + 0 0 20 1,-0.6 3,-1.0 -44,-0.5 -42,-0.1 -0.016 52.3 67.2-163.3 -81.6 91.5 33.9 26.8 54 57 A H T 3 S+ 0 0 75 -44,-2.0 -1,-0.6 1,-0.3 5,-0.1 -0.332 113.7 12.9 -64.0 142.5 89.6 30.9 25.5 55 58 A G T 3> S+ 0 0 31 -3,-0.1 4,-2.2 -35,-0.1 -1,-0.3 0.849 82.2 164.6 57.7 37.8 88.4 31.2 21.9 56 59 A G H <> + 0 0 19 -3,-1.0 4,-2.1 1,-0.2 5,-0.1 0.848 68.1 49.7 -55.1 -44.3 90.7 34.2 21.5 57 60 A D H > S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 112.2 48.9 -64.8 -39.5 90.6 34.3 17.7 58 61 A L H > S+ 0 0 59 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.863 109.4 52.5 -67.5 -37.0 86.8 34.1 17.7 59 62 A M H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.923 110.5 48.8 -61.3 -43.4 86.6 36.9 20.3 60 63 A R H < S+ 0 0 121 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.834 115.2 42.5 -69.1 -35.7 88.8 39.1 18.1 61 64 A T H >< S+ 0 0 82 -4,-1.8 3,-0.7 2,-0.2 -1,-0.2 0.881 117.6 45.5 -77.4 -39.4 86.7 38.5 14.9 62 65 A H H 3< S+ 0 0 101 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.719 125.6 30.6 -78.4 -21.9 83.3 38.8 16.6 63 66 A L T >< S+ 0 0 2 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.2 -0.040 77.9 131.1-125.5 29.2 84.2 41.9 18.6 64 67 A A T < S+ 0 0 73 -3,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.815 74.9 45.2 -57.1 -37.3 86.7 43.5 16.2 65 68 A N T 3 S+ 0 0 149 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.341 84.3 118.1 -92.1 7.0 85.1 47.0 16.3 66 69 A E < - 0 0 38 -3,-1.8 2,-1.7 1,-0.1 -3,-0.1 -0.553 68.9-126.6 -78.4 136.8 84.6 47.2 20.1 67 70 A Q + 0 0 167 -2,-0.3 2,-0.3 2,-0.0 -19,-0.2 -0.611 63.9 125.6 -85.2 80.6 86.4 50.0 21.9 68 71 A V - 0 0 22 -2,-1.7 2,-0.7 -21,-0.1 -19,-0.2 -0.934 66.9-112.3-134.9 156.1 88.2 47.9 24.5 69 72 A N E -c 49 0A 56 -21,-2.8 -19,-2.4 -2,-0.3 2,-0.9 -0.852 36.8-135.4 -86.1 114.2 91.7 47.2 25.7 70 73 A W E -c 50 0A 53 -2,-0.7 2,-0.7 -21,-0.2 -19,-0.1 -0.664 25.2-177.1 -79.4 105.5 92.4 43.6 24.7 71 74 A V E -c 51 0A 12 -21,-2.4 -19,-2.0 -2,-0.9 2,-0.8 -0.864 11.9-155.8-109.2 98.6 94.0 41.9 27.7 72 75 A L E -c 52 0A 95 -2,-0.7 2,-0.5 -21,-0.2 -19,-0.2 -0.656 5.0-157.1 -83.9 108.0 95.0 38.4 26.8 73 76 A Q - 0 0 9 -21,-2.8 3,-0.1 -2,-0.8 9,-0.0 -0.737 6.8-161.9 -85.5 125.0 95.2 36.2 29.9 74 77 A T S S+ 0 0 128 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.779 74.6 17.5 -79.9 -29.5 97.4 33.1 29.4 75 78 A E - 0 0 114 7,-0.0 2,-0.8 -22,-0.0 -1,-0.2 -0.995 69.8-127.2-147.0 142.1 95.9 31.1 32.4 76 79 A Q + 0 0 99 -2,-0.3 3,-0.1 1,-0.1 -23,-0.0 -0.779 39.3 155.0 -86.2 109.0 92.8 31.3 34.6 77 80 A L - 0 0 57 -2,-0.8 116,-2.6 1,-0.5 2,-0.1 0.150 65.9 -59.9-119.5 14.7 94.0 31.4 38.2 78 81 A G > - 0 0 10 114,-0.2 4,-1.8 1,-0.1 -1,-0.5 -0.399 58.8 -76.3 121.9 162.6 91.0 33.1 39.8 79 82 A T H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 115,-0.2 0.823 125.6 55.3 -64.7 -35.4 89.0 36.4 39.4 80 83 A A H > S+ 0 0 2 113,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.888 108.1 49.8 -63.7 -39.1 91.6 38.5 41.4 81 84 A H H > S+ 0 0 30 112,-0.8 4,-0.9 -3,-0.3 -2,-0.2 0.888 110.2 51.5 -64.0 -39.8 94.3 37.3 38.9 82 85 A A H >X S+ 0 0 7 -4,-1.8 3,-0.7 111,-0.3 4,-0.6 0.928 111.7 44.7 -63.8 -47.5 92.0 38.2 36.0 83 86 A V H >X S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 4,-0.7 0.882 107.8 59.9 -65.2 -36.1 91.4 41.8 37.3 84 87 A Q H 3< S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.729 91.0 69.3 -66.8 -21.8 95.1 42.1 38.1 85 88 A Q H << S+ 0 0 57 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.830 108.3 36.7 -61.6 -33.3 95.9 41.6 34.4 86 89 A A H X< S+ 0 0 0 -3,-1.2 3,-1.9 -4,-0.6 4,-0.3 0.555 92.8 95.9 -92.0 -11.9 94.3 45.0 33.7 87 90 A A G >< S+ 0 0 7 -4,-0.7 3,-1.6 1,-0.3 -2,-0.1 0.786 71.9 63.9 -54.4 -39.0 95.6 46.6 36.9 88 91 A P G 3 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.736 103.6 51.2 -56.7 -22.8 98.8 48.3 35.4 89 92 A F G < S+ 0 0 108 -3,-1.9 2,-0.2 2,-0.1 -2,-0.2 0.462 83.7 111.9 -94.6 -6.6 96.4 50.4 33.2 90 93 A F < - 0 0 5 -3,-1.6 2,-0.3 -4,-0.3 6,-0.1 -0.516 67.3-131.0 -67.8 131.6 94.2 51.6 36.1 91 94 A K > - 0 0 87 -2,-0.2 3,-1.3 1,-0.1 83,-0.6 -0.675 18.3-126.9 -76.0 139.6 94.6 55.4 36.9 92 95 A D T 3 S+ 0 0 83 -2,-0.3 83,-1.8 1,-0.3 84,-0.3 0.861 104.9 39.3 -56.8 -38.8 95.1 55.9 40.6 93 96 A N T 3 S+ 0 0 125 81,-0.2 -91,-0.4 80,-0.1 2,-0.3 -0.019 96.0 91.0-112.2 28.8 92.2 58.3 41.0 94 97 A E S < S- 0 0 1 -3,-1.3 80,-2.3 -93,-0.1 -91,-0.2 -0.865 77.1-114.3-107.9 154.4 89.6 56.8 38.7 95 98 A N E -aD 3 173A 10 -93,-2.5 -91,-2.1 -2,-0.3 2,-0.4 -0.588 25.6-152.5 -79.2 151.3 86.9 54.4 39.9 96 99 A I E -aD 4 172A 0 76,-2.4 76,-1.7 -2,-0.2 2,-0.4 -0.997 5.1-163.0-128.2 126.2 87.0 50.8 38.5 97 100 A V E -aD 5 171A 0 -93,-1.9 -91,-2.3 -2,-0.4 2,-0.5 -0.924 11.5-145.7-107.6 133.0 83.9 48.6 38.2 98 101 A V E +aD 6 170A 0 72,-2.3 72,-0.6 -2,-0.4 2,-0.3 -0.894 24.7 174.6-102.2 123.8 84.4 44.9 37.7 99 102 A L E -a 7 0A 1 -93,-3.0 -91,-2.4 -2,-0.5 2,-0.4 -0.827 26.3-125.5-126.6 161.4 81.8 43.2 35.5 100 103 A Y E > -a 8 0A 38 -2,-0.3 3,-1.6 3,-0.3 -91,-0.2 -0.937 6.8-145.9-115.8 131.0 81.3 39.6 34.2 101 104 A G T 3 S+ 0 0 0 -93,-2.8 -65,-0.2 -2,-0.4 -66,-0.1 0.618 100.6 56.7 -69.8 -16.1 80.9 38.9 30.5 102 105 A D T 3 S+ 0 0 33 -94,-0.3 121,-1.4 1,-0.2 -1,-0.3 0.163 95.6 69.5 -99.0 15.1 78.5 36.0 31.2 103 106 A A X + 0 0 16 -3,-1.6 3,-0.8 119,-0.2 -3,-0.3 -0.688 58.8 161.2-128.6 77.3 76.2 38.3 33.2 104 107 A P T 3 + 0 0 4 0, 0.0 -65,-0.1 0, 0.0 -1,-0.1 0.557 56.8 71.3 -81.3 -12.4 74.7 40.5 30.5 105 108 A L T 3 + 0 0 9 116,-0.5 115,-0.1 113,-0.3 114,-0.1 0.489 61.3 125.7 -87.5 -5.3 71.5 41.8 32.2 106 109 A I < - 0 0 8 -3,-0.8 2,-0.2 115,-0.1 114,-0.1 -0.332 55.4-136.2 -56.6 130.9 73.3 44.2 34.7 107 110 A T > - 0 0 17 1,-0.1 4,-1.8 -68,-0.0 5,-0.2 -0.609 14.4-128.6 -96.8 151.8 71.8 47.7 34.2 108 111 A K H > S+ 0 0 58 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.841 109.8 58.9 -57.0 -36.8 73.4 51.1 34.1 109 112 A E H > S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.896 106.9 44.1 -66.3 -43.1 70.9 52.3 36.8 110 113 A T H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 114.3 50.2 -67.2 -39.6 72.1 49.7 39.3 111 114 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.781 106.7 55.4 -72.4 -27.5 75.8 50.3 38.5 112 115 A E H X S+ 0 0 86 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.894 108.7 47.7 -68.5 -41.8 75.2 54.1 38.9 113 116 A K H X S+ 0 0 114 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.855 111.3 52.4 -63.8 -36.8 73.9 53.5 42.4 114 117 A L H X S+ 0 0 0 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.931 110.4 45.7 -65.8 -47.5 76.8 51.2 43.1 115 118 A I H >< S+ 0 0 37 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.878 112.1 52.1 -63.8 -39.6 79.4 53.8 42.1 116 119 A E H 3< S+ 0 0 172 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.788 106.0 54.2 -69.4 -29.7 77.7 56.5 44.0 117 120 A A H 3< S+ 0 0 35 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.606 80.7 113.7 -80.1 -13.8 77.6 54.5 47.3 118 121 A K << - 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0 0 48 -3,-1.0 -22,-0.0 -4,-0.2 -3,-0.0 -0.526 52.1-166.9 -64.7 128.4 71.1 35.4 55.8 163 166 A K + 0 0 91 -2,-0.3 -33,-1.9 -25,-0.1 2,-0.3 0.735 58.7 94.1 -91.8 -28.1 69.6 35.9 52.3 164 167 A E E + E 0 129A 15 -35,-0.2 -25,-2.0 -25,-0.2 2,-0.3 -0.521 57.9 178.6 -70.5 129.2 71.9 38.7 51.1 165 168 A V E -HE 138 128A 2 -37,-2.1 -37,-1.6 -2,-0.3 2,-0.3 -0.863 30.9 -94.4-133.5 166.0 74.8 37.2 49.1 166 169 A N E - E 0 127A 24 -29,-1.9 -29,-0.2 -2,-0.3 -39,-0.2 -0.585 23.4-175.3 -82.4 136.1 77.9 38.3 47.2 167 170 A T E - 0 0 33 -41,-1.5 -1,-0.1 -2,-0.3 -40,-0.1 0.590 40.1-123.9-100.4 -19.2 77.7 38.8 43.4 168 171 A G E S+ 0 0 7 -42,-0.4 2,-0.4 1,-0.3 -41,-0.1 0.281 72.8 123.8 89.8 -10.6 81.4 39.6 42.9 169 172 A V E + 0 0 10 -43,-0.4 -43,-2.5 -72,-0.1 -1,-0.3 -0.722 36.5 155.1 -83.9 129.6 80.6 42.9 41.2 170 173 A M E -DE 98 125A 0 -72,-0.6 -72,-2.3 -2,-0.4 2,-0.4 -0.979 35.0-141.0-153.8 162.2 82.3 45.8 42.9 171 174 A V E +DE 97 124A 0 -47,-2.1 -47,-2.2 -2,-0.3 2,-0.3 -0.996 30.1 145.8-129.5 132.9 83.7 49.3 42.6 172 175 A S E -DE 96 123A 0 -76,-1.7 -76,-2.4 -2,-0.4 -49,-0.1 -0.965 50.1 -84.7-153.8 165.3 86.9 50.8 44.1 173 176 A D E > -D 95 0A 6 -51,-0.5 4,-2.0 -2,-0.3 -78,-0.2 -0.354 40.6-113.6 -73.6 157.1 89.5 53.4 43.1 174 177 A G H > S+ 0 0 0 -80,-2.3 4,-2.3 -83,-0.6 -82,-0.2 0.848 114.1 51.9 -62.1 -39.3 92.4 52.3 40.9 175 178 A A H > S+ 0 0 35 -83,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.885 109.7 50.2 -65.5 -38.7 95.2 52.8 43.5 176 179 A S H > S+ 0 0 3 -84,-0.3 4,-2.5 2,-0.2 5,-0.3 0.885 109.7 51.3 -67.0 -39.4 93.2 50.6 46.0 177 180 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.937 109.8 49.0 -62.2 -47.2 92.8 47.9 43.4 178 181 A K H X S+ 0 0 69 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.909 114.6 46.4 -58.0 -43.2 96.5 47.8 42.7 179 182 A K H < S+ 0 0 83 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.946 118.4 38.1 -64.6 -53.0 97.3 47.7 46.4 180 183 A W H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-0.4 0.826 108.9 59.6 -75.9 -35.4 94.9 45.0 47.4 181 184 A L H >< S+ 0 0 6 -4,-2.5 3,-1.1 -5,-0.3 -1,-0.2 0.872 102.1 56.0 -61.4 -35.8 95.2 42.7 44.3 182 185 A A T 3< S+ 0 0 72 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.657 107.4 50.7 -68.7 -16.8 98.9 42.3 45.1 183 186 A R T < S+ 0 0 101 -3,-1.1 2,-0.4 -4,-0.3 -1,-0.2 0.382 82.4 110.7-102.6 1.1 98.0 41.0 48.6 184 187 A V < - 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