==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 21-JUN-13 4LCH . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.-J.LEE,P.ZHOU . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 3 1.0 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 . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 2 0 1 3 4 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 3 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 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 1 A M 0 0 84 0, 0.0 2,-0.6 0, 0.0 286,-0.2 0.000 360.0 360.0 360.0 157.5 -6.0 10.4 -9.7 2 2 A I - 0 0 25 284,-2.0 124,-2.7 124,-0.2 284,-0.3 -0.798 360.0-150.8 -82.0 120.2 -3.2 7.8 -9.2 3 3 A K E -A 125 0A 68 -2,-0.6 122,-0.2 122,-0.3 120,-0.1 -0.557 15.9 -98.4 -93.9 157.0 -2.2 8.4 -5.6 4 4 A Q E - 0 0 6 120,-2.7 118,-2.7 118,-0.4 2,-0.4 -0.294 41.4-143.5 -63.7 157.8 1.1 7.9 -3.8 5 5 A R E +A 121 0A 27 116,-0.2 85,-2.0 82,-0.2 84,-1.7 -0.976 26.3 160.0-133.8 140.4 1.4 4.6 -1.8 6 6 A T E -A 120 0A 5 114,-2.5 114,-2.8 -2,-0.4 2,-0.2 -0.741 46.0 -73.8-138.3-171.1 3.0 3.6 1.4 7 7 A L E -A 119 0A 2 83,-0.5 112,-0.2 -2,-0.2 111,-0.1 -0.632 23.4-145.6 -90.8 155.4 2.6 0.7 3.8 8 8 A K S S+ 0 0 122 110,-2.1 2,-0.3 -2,-0.2 110,-0.2 0.768 80.9 16.4 -85.7 -27.5 -0.4 0.3 6.2 9 9 A N S S- 0 0 101 108,-0.5 2,-0.3 109,-0.4 -1,-0.1 -0.926 81.0-100.7-142.6 159.0 1.6 -1.3 9.0 10 10 A I - 0 0 92 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.624 43.8-175.6 -77.0 142.8 5.1 -1.8 10.3 11 11 A I E -B 28 0B 37 17,-2.2 17,-3.0 -2,-0.3 2,-0.3 -0.991 7.3-157.7-145.0 153.4 6.5 -5.2 9.5 12 12 A R E +B 27 0B 159 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.902 13.6 166.8-134.6 154.5 9.7 -7.1 10.3 13 13 A A E -B 26 0B 20 13,-2.0 13,-3.0 -2,-0.3 2,-0.3 -0.964 18.5-143.3-153.7 163.3 12.0 -9.9 9.1 14 14 A T E +B 25 0B 68 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.925 30.2 136.1-125.7 157.9 15.5 -11.2 9.8 15 15 A G E -B 24 0B 17 9,-1.9 9,-3.0 -2,-0.3 2,-0.3 -0.920 46.1 -81.9-170.9-165.2 18.1 -12.8 7.6 16 16 A V E -B 23 0B 53 -2,-0.3 86,-3.0 7,-0.3 87,-0.4 -0.894 36.7-108.9-119.1 152.0 21.8 -12.7 6.9 17 17 A G > - 0 0 2 5,-1.8 4,-2.6 -2,-0.3 191,-0.2 -0.594 21.1-139.1 -73.7 135.6 23.9 -10.4 4.8 18 18 A L T 4 S+ 0 0 35 82,-0.5 190,-2.6 -2,-0.3 191,-0.6 0.912 104.0 36.6 -60.1 -41.3 25.2 -12.1 1.6 19 19 A H T 4 S+ 0 0 44 187,-0.2 188,-1.9 188,-0.2 -1,-0.2 0.947 128.2 32.6 -78.3 -45.6 28.6 -10.5 2.0 20 20 A S T 4 S- 0 0 47 186,-0.2 -2,-0.2 187,-0.2 -1,-0.1 0.784 82.9-145.4 -83.3 -34.9 28.9 -10.6 5.9 21 21 A G < + 0 0 32 -4,-2.6 2,-0.3 1,-0.3 -3,-0.1 0.504 58.3 125.0 76.1 5.1 27.0 -13.8 6.8 22 22 A E - 0 0 138 1,-0.1 -5,-1.8 -5,-0.1 -1,-0.3 -0.672 69.6 -94.9-101.5 151.8 25.8 -12.1 10.0 23 23 A K E -B 16 0B 121 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.3 -0.373 41.0-172.8 -65.3 135.7 22.3 -11.8 11.2 24 24 A V E -B 15 0B 2 -9,-3.0 -9,-1.9 -2,-0.1 2,-0.5 -0.985 17.4-138.1-129.7 141.0 20.5 -8.5 10.3 25 25 A Y E -B 14 0B 132 -2,-0.4 71,-1.4 -11,-0.2 2,-0.4 -0.877 20.2-162.2 -97.0 129.8 17.1 -7.2 11.5 26 26 A L E -BC 13 95B 1 -13,-3.0 -13,-2.0 -2,-0.5 2,-0.4 -0.925 8.8-176.8-113.6 136.1 15.0 -5.6 8.9 27 27 A T E -BC 12 94B 11 67,-2.2 67,-3.0 -2,-0.4 2,-0.5 -0.997 9.2-161.7-131.8 133.3 12.0 -3.3 9.5 28 28 A L E -BC 11 93B 1 -17,-3.0 -17,-2.2 -2,-0.4 65,-0.2 -0.949 18.9-179.6-111.2 132.6 9.7 -1.7 6.9 29 29 A K E - C 0 92B 54 63,-2.7 63,-2.3 -2,-0.5 -22,-0.2 -0.935 31.1-102.2-131.9 150.7 7.6 1.2 8.1 30 30 A P E - C 0 91B 45 0, 0.0 61,-0.2 0, 0.0 -22,-0.1 -0.301 39.2-165.4 -60.1 156.2 5.0 3.6 6.6 31 31 A A - 0 0 6 59,-0.6 59,-0.2 -24,-0.1 3,-0.1 -0.984 21.6 -96.7-145.5 153.7 6.3 7.1 5.6 32 32 A P > - 0 0 76 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.108 57.7 -68.3 -65.0 164.8 4.6 10.4 4.8 33 33 A V T 3 S+ 0 0 47 1,-0.2 -27,-0.0 2,-0.1 90,-0.0 -0.139 118.9 15.2 -48.4 143.3 3.9 11.7 1.3 34 34 A D T 3 S+ 0 0 100 -3,-0.1 -1,-0.2 1,-0.1 56,-0.0 0.638 90.6 116.0 62.2 19.1 7.0 12.7 -0.8 35 35 A T < - 0 0 41 -3,-1.4 2,-0.1 1,-0.2 -2,-0.1 0.875 54.4-163.2 -78.9 -37.2 9.4 10.9 1.6 36 36 A G - 0 0 20 -4,-0.3 55,-2.1 -5,-0.1 2,-0.5 -0.449 47.3 -43.0 75.5-165.5 10.6 8.3 -0.9 37 37 A I E -d 91 0B 10 15,-0.3 15,-3.0 53,-0.2 2,-0.4 -0.867 64.1-173.1 -98.0 128.5 12.4 5.2 0.5 38 38 A V E -dE 92 51B 10 53,-2.0 55,-2.8 -2,-0.5 2,-0.4 -0.991 11.8-149.3-127.4 125.9 14.8 6.1 3.2 39 39 A F E -dE 93 50B 0 11,-2.5 11,-3.2 -2,-0.4 2,-0.4 -0.749 12.4-165.2 -90.5 138.2 17.2 3.6 4.8 40 40 A S E -dE 94 49B 7 53,-2.9 55,-2.6 -2,-0.4 2,-1.2 -0.990 18.4-146.9-127.6 131.0 18.2 4.0 8.4 41 41 A R E > +dE 95 48B 25 7,-2.9 7,-1.2 -2,-0.4 3,-1.0 -0.785 22.2 177.9 -88.6 95.6 21.1 2.3 10.2 42 42 A T T 3 S+ 0 0 58 53,-1.6 54,-0.2 -2,-1.2 -1,-0.2 0.536 70.5 69.8 -83.7 -5.8 19.5 2.0 13.6 43 43 A D T 3 S+ 0 0 75 52,-0.8 -1,-0.2 5,-0.1 2,-0.2 0.666 87.7 83.1 -77.2 -19.1 22.4 0.2 15.1 44 44 A L S < S- 0 0 50 -3,-1.0 53,-0.0 4,-0.1 4,-0.0 -0.505 83.3-114.3 -89.3 157.4 24.5 3.4 14.9 45 45 A D S S+ 0 0 160 1,-0.2 2,-0.2 -2,-0.2 -3,-0.1 -0.919 111.3 28.9-137.1 106.3 24.6 6.2 17.4 46 46 A P S S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.502 111.0-117.3 -71.9 161.9 23.5 8.6 16.1 47 47 A V - 0 0 73 -2,-0.2 2,-0.5 -5,-0.1 -5,-0.2 -0.423 28.4-140.7 -66.7 138.6 21.2 6.7 13.7 48 48 A V E -E 41 0B 28 -7,-1.2 -7,-2.9 -2,-0.1 2,-0.4 -0.927 11.6-158.7-111.8 128.0 22.2 7.4 10.1 49 49 A E E -E 40 0B 104 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.877 7.4-174.6-105.3 135.5 19.6 7.9 7.4 50 50 A I E -E 39 0B 1 -11,-3.2 -11,-2.5 -2,-0.4 18,-0.1 -0.923 20.0-137.8-129.2 110.1 20.3 7.4 3.7 51 51 A P E -E 38 0B 52 0, 0.0 2,-2.0 0, 0.0 -13,-0.2 -0.349 25.4-117.8 -61.4 139.3 17.7 8.3 1.1 52 52 A A + 0 0 6 -15,-3.0 2,-0.3 14,-0.1 -15,-0.3 -0.554 67.2 133.8 -79.4 79.4 17.5 5.7 -1.7 53 53 A R > - 0 0 111 -2,-2.0 3,-2.3 1,-0.1 196,-0.2 -0.930 68.5-114.8-131.0 153.7 18.4 8.0 -4.5 54 54 A A G > S+ 0 0 3 194,-2.1 3,-1.6 -2,-0.3 218,-0.1 0.841 112.3 63.4 -56.5 -35.2 20.9 7.7 -7.3 55 55 A E G 3 S+ 0 0 159 1,-0.3 -1,-0.3 193,-0.2 -3,-0.1 0.589 99.0 56.0 -68.2 -10.0 23.1 10.4 -6.0 56 56 A N G < S+ 0 0 37 -3,-2.3 11,-3.2 192,-0.1 2,-0.4 0.317 77.7 114.6-106.1 9.4 23.8 8.4 -2.8 57 57 A V B < +F 66 0C 18 -3,-1.6 9,-0.2 9,-0.2 3,-0.1 -0.630 32.4 165.7 -80.4 131.7 25.1 5.3 -4.5 58 58 A G + 0 0 31 7,-2.9 -1,-0.1 1,-0.4 8,-0.1 0.473 57.8 25.0-104.2-104.1 28.8 4.6 -3.9 59 59 A E + 0 0 70 1,-0.1 6,-2.3 5,-0.1 -1,-0.4 -0.221 51.0 176.2 -63.0 146.5 30.1 1.2 -4.8 60 60 A T + 0 0 25 4,-0.2 2,-0.8 -3,-0.1 205,-0.5 0.139 29.7 135.0-137.4 19.4 28.3 -0.9 -7.5 61 61 A T S S- 0 0 106 1,-0.2 2,-1.1 203,-0.1 -2,-0.1 -0.645 95.1 -32.3 -77.0 109.0 30.5 -3.9 -7.8 62 62 A M S S+ 0 0 125 -2,-0.8 2,-0.3 13,-0.0 -1,-0.2 -0.061 139.3 40.4 73.8 -31.9 28.1 -6.9 -8.0 63 63 A S S S- 0 0 5 -2,-1.1 2,-0.6 200,-0.0 200,-0.0 -0.897 86.9-108.5-136.9 163.1 25.6 -5.1 -5.7 64 64 A T - 0 0 0 -2,-0.3 12,-1.9 -4,-0.1 2,-0.5 -0.883 35.2-166.3 -96.7 124.4 24.3 -1.5 -5.3 65 65 A T - 0 0 4 -6,-2.3 -7,-2.9 -2,-0.6 2,-0.4 -0.932 11.4-148.9-114.6 128.0 25.5 0.2 -2.2 66 66 A L E -FG 57 73C 0 7,-2.7 7,-2.6 -2,-0.5 2,-0.4 -0.762 23.4-169.5 -87.3 139.2 24.2 3.4 -0.7 67 67 A V E + G 0 72C 37 -11,-3.2 2,-0.3 -2,-0.4 5,-0.2 -0.974 26.1 176.9-134.1 143.8 26.7 5.5 1.2 68 68 A K E > S- G 0 71C 112 3,-2.5 3,-2.2 -2,-0.4 2,-0.3 -0.848 74.6 -53.3-138.4 104.4 26.8 8.5 3.4 69 69 A G T 3 S- 0 0 66 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.488 122.2 -19.4 65.3-125.7 30.3 9.3 4.6 70 70 A D T 3 S+ 0 0 162 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.414 118.4 99.1 -93.6 2.3 31.8 6.1 6.0 71 71 A V E < -G 68 0C 30 -3,-2.2 -3,-2.5 2,-0.0 2,-0.3 -0.765 53.6-173.5 -96.0 133.5 28.3 4.6 6.6 72 72 A K E -G 67 0C 86 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.893 26.0-164.1-125.2 151.9 27.0 2.1 4.1 73 73 A V E -G 66 0C 0 -7,-2.6 -7,-2.7 -2,-0.3 3,-0.3 -0.936 29.2-163.4-126.8 111.3 23.9 0.1 3.3 74 74 A D B +h 99 0D 29 24,-2.7 26,-2.4 -2,-0.4 -9,-0.2 -0.549 56.5 22.4 -95.8 158.3 24.8 -2.7 0.9 75 75 A T + 0 0 6 -11,-0.3 4,-0.3 -2,-0.2 3,-0.3 0.921 63.9 149.9 62.0 55.5 22.7 -4.8 -1.4 76 76 A V > + 0 0 0 -12,-1.9 4,-2.5 -3,-0.3 5,-0.2 0.619 44.8 90.3 -90.3 -11.0 19.7 -2.6 -1.7 77 77 A E H > S+ 0 0 6 -13,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.783 84.0 46.6 -66.1 -33.4 18.6 -3.8 -5.2 78 78 A H H > S+ 0 0 7 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.908 115.5 44.9 -79.6 -38.7 16.3 -6.7 -4.5 79 79 A L H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.930 114.9 48.7 -64.8 -44.2 14.3 -4.9 -1.8 80 80 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.856 105.3 59.7 -65.9 -31.1 14.1 -1.8 -3.9 81 81 A S H X S+ 0 0 0 -4,-1.6 4,-2.9 -5,-0.2 -1,-0.2 0.925 107.0 46.4 -61.6 -41.9 13.0 -4.0 -6.9 82 82 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.915 110.9 51.7 -65.6 -45.0 10.0 -5.1 -4.8 83 83 A M H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.4 0.935 113.6 45.2 -53.7 -46.2 9.2 -1.5 -3.7 84 84 A A H ><5S+ 0 0 11 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.922 111.1 52.6 -64.1 -47.0 9.3 -0.5 -7.4 85 85 A G H 3<5S+ 0 0 21 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.843 114.2 41.2 -57.8 -36.3 7.2 -3.4 -8.5 86 86 A L T 3<5S- 0 0 14 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.375 112.5-118.7 -96.6 1.6 4.4 -2.8 -6.0 87 87 A G T < 5 + 0 0 1 -3,-1.1 2,-0.7 -4,-0.4 -82,-0.2 0.842 48.5 169.7 66.5 37.8 4.6 1.0 -6.6 88 88 A I < + 0 0 0 -5,-2.6 -1,-0.2 -6,-0.2 -82,-0.2 -0.731 9.6 177.6 -83.0 117.4 5.5 1.9 -3.0 89 89 A D + 0 0 10 -84,-1.7 2,-0.5 -2,-0.7 -83,-0.2 0.896 63.5 35.0 -83.1 -42.9 6.5 5.6 -3.1 90 90 A N + 0 0 2 -85,-2.0 -59,-0.6 -59,-0.2 -83,-0.5 -0.957 67.8 129.7-127.3 120.6 7.1 6.2 0.6 91 91 A A E -Cd 30 37B 0 -55,-2.1 -53,-2.0 -2,-0.5 2,-0.4 -0.956 42.0-130.4-161.3 154.0 8.7 3.9 3.2 92 92 A Y E -Cd 29 38B 72 -63,-2.3 -63,-2.7 -2,-0.3 2,-0.5 -0.891 19.0-161.3-102.6 137.2 11.3 3.8 5.9 93 93 A V E -Cd 28 39B 0 -55,-2.8 -53,-2.9 -2,-0.4 2,-0.4 -0.961 6.8-162.4-118.0 113.5 13.6 0.8 5.9 94 94 A E E -Cd 27 40B 40 -67,-3.0 -67,-2.2 -2,-0.5 2,-0.4 -0.789 8.2-175.7 -98.5 142.3 15.4 0.1 9.2 95 95 A L E -Cd 26 41B 0 -55,-2.6 -53,-1.6 -2,-0.4 -52,-0.8 -0.994 26.7-154.7-137.6 138.6 18.6 -2.1 9.4 96 96 A S S S+ 0 0 34 -71,-1.4 2,-0.3 -2,-0.4 -70,-0.1 0.329 84.7 26.8 -91.2 5.5 20.6 -3.3 12.3 97 97 A A S S- 0 0 30 -72,-0.2 -55,-0.1 2,-0.1 -73,-0.1 -0.940 94.8 -87.6-158.1 175.8 23.7 -3.7 10.0 98 98 A S S S+ 0 0 55 -2,-0.3 -24,-2.7 -25,-0.1 2,-0.3 0.155 101.1 56.4 -83.2 18.0 25.3 -2.5 6.8 99 99 A E B S-h 74 0D 9 -26,-0.2 -24,-0.2 -24,-0.0 -3,-0.1 -0.976 79.5-119.6-150.1 136.2 23.6 -4.9 4.4 100 100 A V - 0 0 3 -26,-2.4 -82,-0.5 -2,-0.3 -22,-0.1 -0.540 50.7 -98.8 -65.1 137.2 20.0 -5.8 3.6 101 101 A P - 0 0 2 0, 0.0 -84,-0.3 0, 0.0 -1,-0.1 -0.305 23.4-136.6 -60.7 144.3 19.5 -9.5 4.3 102 102 A I > + 0 0 2 -86,-3.0 3,-2.4 1,-0.2 4,-0.2 0.759 33.8 177.8 -76.4 -22.7 19.7 -11.6 1.2 103 103 A M T 3 S- 0 0 52 -87,-0.4 -1,-0.2 1,-0.3 -87,-0.1 -0.373 71.4 -19.4 54.2-121.3 16.7 -13.7 2.2 104 104 A D T 3 S- 0 0 30 2,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.303 96.3-102.3-100.9 10.9 16.1 -16.2 -0.6 105 105 A G S < S+ 0 0 0 -3,-2.4 85,-1.3 1,-0.3 2,-0.2 0.357 94.9 82.8 91.6 -8.8 18.1 -14.3 -3.2 106 106 A S S S- 0 0 0 83,-0.2 -1,-0.3 -4,-0.2 -2,-0.2 -0.431 89.5-107.2-114.6-172.3 15.1 -12.9 -4.9 107 107 A A S >> S+ 0 0 0 79,-2.5 4,-2.4 81,-0.2 3,-0.6 0.503 95.0 94.7 -92.9 -7.0 12.7 -10.0 -4.5 108 108 A G H 3> S+ 0 0 12 78,-1.1 4,-2.7 1,-0.3 -1,-0.1 0.843 78.4 52.2 -55.9 -46.3 9.9 -12.4 -3.4 109 109 A P H 3> S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.838 112.7 47.7 -61.7 -30.3 10.5 -12.2 0.4 110 110 A F H <> S+ 0 0 3 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.886 109.5 50.8 -78.9 -39.3 10.2 -8.4 0.1 111 111 A V H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.941 110.8 52.2 -54.9 -45.5 7.1 -8.5 -2.0 112 112 A F H X S+ 0 0 135 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.916 111.3 45.2 -57.4 -48.0 5.7 -10.8 0.7 113 113 A L H X S+ 0 0 13 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.914 114.1 48.2 -64.4 -42.9 6.6 -8.3 3.5 114 114 A I H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.949 114.7 44.9 -65.7 -47.5 5.2 -5.3 1.6 115 115 A Q H < S+ 0 0 100 -4,-2.9 3,-0.4 -5,-0.2 -1,-0.2 0.898 113.0 51.4 -61.7 -37.4 2.0 -7.1 0.7 116 116 A S H < S+ 0 0 67 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.830 106.0 55.0 -71.3 -30.7 1.6 -8.4 4.3 117 117 A A H < S- 0 0 2 -4,-2.1 -108,-0.5 -5,-0.2 -1,-0.3 0.750 114.7-125.0 -69.1 -26.7 2.1 -4.9 5.7 118 118 A G < - 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