==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 03-NOV-11 3UHM . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.MONTGOMERY,S.LIU . 299 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 19.7 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 . 23 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 0 0 2 0 1 1 0 0 1 0 1 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 1 1 4 2 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 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 0 103 0, 0.0 2,-0.6 0, 0.0 286,-0.2 0.000 360.0 360.0 360.0 158.6 -3.9 19.0 24.4 2 2 A I - 0 0 21 284,-2.1 124,-2.5 124,-0.1 284,-0.3 -0.754 360.0-156.0 -84.3 121.4 -3.6 16.3 21.7 3 3 A K E -A 125 0A 45 -2,-0.6 122,-0.2 122,-0.3 2,-0.1 -0.640 16.2-108.8-105.0 157.5 -3.5 13.1 23.6 4 4 A Q E - 0 0 8 120,-2.5 118,-3.1 118,-0.3 2,-0.3 -0.463 36.7-159.9 -73.0 151.9 -2.3 9.5 23.2 5 5 A R E +A 121 0A 20 116,-0.2 85,-1.8 82,-0.2 84,-1.7 -0.971 14.8 177.4-134.0 157.6 -4.9 6.8 22.7 6 6 A T E -A 120 0A 7 114,-2.6 114,-2.7 -2,-0.3 2,-0.2 -0.621 44.8 -66.8-133.2-170.0 -5.1 3.1 23.1 7 7 A L E -A 119 0A 1 83,-0.4 112,-0.3 112,-0.3 24,-0.1 -0.620 29.6-147.7 -84.3 150.0 -7.9 0.5 22.7 8 8 A K S S+ 0 0 126 110,-2.7 2,-0.3 -2,-0.2 110,-0.2 0.772 77.8 16.1 -83.5 -33.6 -10.8 0.4 25.1 9 9 A N S S- 0 0 87 109,-0.5 2,-0.3 20,-0.0 -1,-0.1 -0.899 81.4 -99.5-137.3 164.1 -11.4 -3.4 25.0 10 10 A I - 0 0 82 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.627 40.8-176.8 -80.5 145.6 -9.7 -6.6 24.1 11 11 A I E -B 28 0B 29 17,-1.8 17,-3.1 -2,-0.3 2,-0.3 -0.996 9.2-151.5-147.4 148.6 -10.8 -8.0 20.7 12 12 A R E +B 27 0B 163 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.831 13.2 173.7-121.8 154.6 -9.8 -11.2 18.9 13 13 A A E -B 26 0B 14 13,-2.2 13,-2.9 -2,-0.3 2,-0.4 -0.966 15.4-146.6-153.7 160.0 -9.6 -12.4 15.2 14 14 A T E +B 25 0B 72 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.975 33.1 124.0-129.3 146.4 -8.4 -15.5 13.3 15 15 A G E -B 24 0B 16 9,-2.3 9,-2.7 -2,-0.4 2,-0.3 -0.897 47.9 -84.3-169.0-158.0 -6.8 -15.8 10.0 16 16 A V E -B 23 0B 56 -2,-0.3 86,-3.0 7,-0.3 87,-0.4 -0.957 37.9-105.2-131.8 147.0 -3.8 -17.1 8.0 17 17 A G B > -F 101 0C 0 5,-2.1 4,-2.1 -2,-0.3 191,-0.1 -0.583 21.6-141.1 -71.1 131.4 -0.4 -15.7 7.2 18 18 A L T 4 S+ 0 0 18 82,-0.5 190,-2.9 -2,-0.3 191,-0.7 0.909 101.5 27.9 -55.8 -46.5 -0.1 -14.4 3.7 19 19 A H T 4 S+ 0 0 10 187,-0.3 188,-1.8 188,-0.2 -1,-0.2 0.909 128.8 38.0 -88.3 -40.1 3.5 -15.8 3.4 20 20 A S T 4 S- 0 0 35 187,-0.1 -2,-0.2 186,-0.1 3,-0.1 0.766 85.8-142.8 -81.8 -27.4 3.5 -18.8 5.8 21 21 A G < + 0 0 36 -4,-2.1 2,-0.3 1,-0.3 -3,-0.1 0.610 53.9 141.7 71.1 12.0 -0.1 -20.0 5.0 22 22 A E - 0 0 103 1,-0.1 -5,-2.1 -5,-0.0 -1,-0.3 -0.705 57.8-114.0 -90.9 139.7 -0.3 -20.9 8.8 23 23 A K E -B 16 0B 129 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.3 -0.418 40.3-174.3 -66.5 140.0 -3.4 -20.4 10.9 24 24 A V E -B 15 0B 0 -9,-2.7 -9,-2.3 -2,-0.1 2,-0.4 -0.998 21.6-144.9-142.7 142.1 -2.9 -17.6 13.5 25 25 A Y E -B 14 0B 119 -2,-0.3 71,-1.7 -11,-0.2 2,-0.4 -0.913 20.7-163.0-105.4 133.2 -5.0 -16.3 16.4 26 26 A L E -BC 13 95B 1 -13,-2.9 -13,-2.2 -2,-0.4 2,-0.4 -0.940 9.6-173.2-118.8 139.6 -4.7 -12.5 17.1 27 27 A T E -BC 12 94B 16 67,-2.4 67,-3.1 -2,-0.4 2,-0.4 -0.994 9.4-156.5-132.7 126.8 -5.6 -10.6 20.2 28 28 A L E +BC 11 93B 1 -17,-3.1 -17,-1.8 -2,-0.4 65,-0.2 -0.872 20.2 178.7-100.1 132.9 -5.5 -6.8 20.4 29 29 A K E - C 0 92B 57 63,-2.5 63,-2.5 -2,-0.4 -22,-0.2 -0.966 32.5-100.4-130.9 154.0 -5.2 -5.3 23.9 30 30 A P - 0 0 47 0, 0.0 61,-0.2 0, 0.0 -22,-0.1 -0.258 40.8-165.6 -60.1 158.5 -5.0 -1.9 25.5 31 31 A A - 0 0 8 59,-0.5 59,-0.1 -24,-0.1 3,-0.1 -0.978 21.6 -92.4-144.5 161.0 -1.4 -0.8 26.5 32 32 A P > - 0 0 70 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.099 54.4 -75.6 -70.3 167.3 0.1 2.0 28.7 33 33 A V T 3 S+ 0 0 60 1,-0.2 -27,-0.0 2,-0.1 90,-0.0 -0.198 116.4 18.9 -56.8 146.2 1.2 5.4 27.6 34 34 A D T 3 S+ 0 0 103 1,-0.1 -1,-0.2 -3,-0.1 56,-0.1 0.660 92.5 109.9 64.9 18.0 4.5 5.5 25.7 35 35 A T < - 0 0 40 -3,-1.3 -2,-0.1 1,-0.2 55,-0.1 0.815 57.6-164.9 -86.2 -36.1 4.4 1.8 24.9 36 36 A G - 0 0 20 -4,-0.3 55,-2.2 -5,-0.1 2,-0.5 -0.406 51.4 -35.1 74.3-161.9 3.8 2.2 21.1 37 37 A I E -d 91 0B 8 15,-0.4 15,-3.2 53,-0.3 2,-0.4 -0.864 68.0-172.8 -94.8 127.1 2.6 -0.9 19.3 38 38 A V E -dE 92 51B 10 53,-2.5 55,-2.9 -2,-0.5 2,-0.3 -0.990 12.6-149.0-125.4 126.4 4.1 -4.1 20.7 39 39 A F E -dE 93 50B 0 11,-2.2 11,-3.0 -2,-0.4 2,-0.4 -0.694 12.4-162.4 -91.3 143.0 3.8 -7.6 19.2 40 40 A S E -dE 94 49B 6 53,-2.6 55,-2.9 -2,-0.3 2,-1.2 -0.982 14.4-146.8-133.7 121.6 3.8 -10.6 21.6 41 41 A R E > +dE 95 48B 22 7,-3.1 7,-1.1 -2,-0.4 3,-0.9 -0.747 21.8 174.6 -89.0 92.1 4.4 -14.2 20.5 42 42 A T T 3 S+ 0 0 63 53,-1.8 54,-0.2 -2,-1.2 -1,-0.2 0.523 71.4 69.1 -79.5 -5.9 2.2 -16.1 23.0 43 43 A D T 3 S+ 0 0 73 52,-0.8 -1,-0.2 5,-0.1 2,-0.2 0.666 88.8 84.0 -80.0 -16.9 2.9 -19.4 21.3 44 44 A L S < S- 0 0 53 -3,-0.9 4,-0.0 4,-0.1 53,-0.0 -0.561 82.4-118.0 -91.8 151.3 6.5 -19.3 22.6 45 45 A D S S+ 0 0 168 -2,-0.2 2,-0.1 1,-0.2 -3,-0.1 -0.961 110.1 31.1-127.5 104.9 7.8 -20.3 26.0 46 46 A P S S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.564 110.0-117.1 -73.8 161.2 8.9 -17.8 27.3 47 47 A V - 0 0 81 -2,-0.1 2,-0.5 -5,-0.1 -5,-0.2 -0.449 30.2-147.2 -63.9 134.9 6.6 -15.3 25.6 48 48 A V E -E 41 0B 28 -7,-1.1 -7,-3.1 -2,-0.1 2,-0.4 -0.959 8.9-160.1-113.6 129.4 8.6 -12.9 23.4 49 49 A E E -E 40 0B 99 -2,-0.5 -9,-0.2 -9,-0.2 45,-0.0 -0.863 5.6-172.2-106.2 136.8 7.6 -9.3 22.9 50 50 A I E -E 39 0B 1 -11,-3.0 -11,-2.2 -2,-0.4 16,-0.1 -0.926 20.2-134.9-130.0 111.8 8.9 -7.2 20.0 51 51 A P E -E 38 0B 49 0, 0.0 2,-1.8 0, 0.0 -13,-0.3 -0.346 24.4-118.6 -61.9 139.2 8.2 -3.4 19.9 52 52 A A + 0 0 8 -15,-3.2 -15,-0.4 14,-0.1 2,-0.3 -0.611 64.7 138.6 -80.6 82.4 7.0 -2.3 16.5 53 53 A R > - 0 0 101 -2,-1.8 3,-2.2 -17,-0.1 196,-0.2 -0.954 66.1-116.0-131.2 149.9 10.0 0.1 15.8 54 54 A A G > S+ 0 0 0 194,-2.3 3,-1.6 -2,-0.3 195,-0.1 0.812 113.4 60.9 -53.7 -37.3 12.1 0.8 12.8 55 55 A E G 3 S+ 0 0 92 1,-0.3 -1,-0.3 193,-0.3 -3,-0.1 0.566 99.4 56.5 -70.2 -11.9 15.2 -0.5 14.5 56 56 A N G < S+ 0 0 48 -3,-2.2 11,-2.7 192,-0.1 2,-0.8 0.353 75.5 112.1-100.1 5.4 13.6 -4.0 14.9 57 57 A V E < +G 66 0D 8 -3,-1.6 9,-0.2 9,-0.2 3,-0.1 -0.707 33.1 161.3 -79.9 110.0 12.9 -4.4 11.1 58 58 A G E + 0 0 52 7,-2.1 2,-0.3 -2,-0.8 -1,-0.2 0.561 59.1 30.5-106.8 -14.7 15.3 -7.2 10.2 59 59 A E E +G 65 0D 95 6,-1.3 6,-2.7 205,-0.0 -1,-0.3 -0.991 46.8 177.7-147.1 143.7 13.8 -8.4 6.9 60 60 A T + 0 0 42 -2,-0.3 2,-0.8 4,-0.2 205,-0.4 -0.197 32.7 135.1-141.1 45.0 11.9 -6.7 4.1 61 61 A T S S- 0 0 67 1,-0.2 3,-0.0 203,-0.1 -2,-0.0 -0.836 94.2 -31.4-101.0 100.8 11.4 -9.4 1.5 62 62 A M S S+ 0 0 87 -2,-0.8 2,-0.3 143,-0.1 -1,-0.2 0.568 138.7 29.8 64.5 17.2 7.7 -9.0 0.3 63 63 A S S S- 0 0 2 2,-0.0 2,-0.6 14,-0.0 -1,-0.0 -0.930 91.3 -94.7-177.3 171.9 6.6 -7.8 3.8 64 64 A T - 0 0 2 -2,-0.3 12,-1.7 -4,-0.1 2,-0.5 -0.941 42.3-165.4-104.2 124.5 8.0 -6.0 6.8 65 65 A T E -G 59 0D 4 -6,-2.7 -7,-2.1 -2,-0.6 -6,-1.3 -0.938 11.9-148.0-115.9 126.5 9.4 -8.4 9.4 66 66 A L E -GH 57 73D 0 7,-2.8 7,-2.3 -2,-0.5 2,-0.4 -0.673 21.4-167.6 -86.2 139.8 10.2 -7.5 13.0 67 67 A V E + H 0 72D 43 -11,-2.7 2,-0.4 -2,-0.3 5,-0.2 -0.998 23.3 171.8-135.6 136.3 13.2 -9.6 14.4 68 68 A K E > S- H 0 71D 107 3,-2.4 3,-2.2 -2,-0.4 2,-0.2 -0.928 74.6 -52.8-140.3 103.1 14.5 -10.1 18.0 69 69 A G T 3 S- 0 0 75 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.434 121.7 -19.5 64.9-124.3 17.2 -12.8 18.0 70 70 A D T 3 S+ 0 0 167 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.445 118.9 98.8 -92.3 -2.1 15.7 -15.9 16.3 71 71 A V E < -H 68 0D 28 -3,-2.2 -3,-2.4 2,-0.0 2,-0.3 -0.726 52.5-174.7 -94.8 135.6 12.1 -14.7 16.8 72 72 A K E -H 67 0D 80 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.929 23.9-163.2-128.2 152.2 10.2 -13.0 14.1 73 73 A V E -H 66 0D 1 -7,-2.3 -7,-2.8 -2,-0.3 3,-0.3 -0.964 29.0-160.1-127.8 109.5 6.8 -11.3 13.5 74 74 A D B +i 99 0E 10 24,-2.7 26,-2.4 -2,-0.4 -9,-0.2 -0.605 56.2 16.9 -94.2 154.8 6.1 -11.1 9.8 75 75 A T + 0 0 4 -11,-0.4 4,-0.3 -2,-0.2 3,-0.3 0.909 64.1 152.5 57.5 57.5 3.8 -8.9 7.7 76 76 A V > + 0 0 0 -12,-1.7 4,-2.4 -3,-0.3 5,-0.2 0.603 44.8 91.1 -87.1 -12.4 3.1 -6.2 10.2 77 77 A E H > S+ 0 0 4 -13,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.786 82.8 46.9 -61.7 -40.0 2.4 -3.4 7.7 78 78 A H H > S+ 0 0 6 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.926 115.2 45.2 -75.0 -41.3 -1.3 -3.6 7.2 79 79 A L H > S+ 0 0 2 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.907 113.7 50.4 -56.9 -55.8 -2.2 -3.8 10.8 80 80 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.868 105.4 57.4 -56.6 -34.2 0.2 -1.0 11.6 81 81 A S H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.932 107.8 47.0 -62.5 -39.6 -1.4 1.1 8.8 82 82 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.899 110.9 51.8 -67.6 -39.6 -4.8 0.7 10.5 83 83 A M H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-0.5 0.935 113.7 44.6 -60.6 -43.3 -3.3 1.7 13.9 84 84 A A H ><5S+ 0 0 7 -4,-2.6 3,-1.1 3,-0.2 -2,-0.2 0.933 111.2 53.9 -64.9 -44.6 -1.7 4.7 12.3 85 85 A G H 3<5S+ 0 0 0 -4,-2.9 212,-0.3 1,-0.3 -1,-0.2 0.840 114.4 39.4 -60.4 -34.7 -5.0 5.6 10.5 86 86 A L T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.365 113.9-111.8 -99.2 5.5 -7.1 5.6 13.6 87 87 A G T < 5 + 0 0 0 -3,-1.1 2,-0.9 -4,-0.5 -82,-0.2 0.895 54.2 164.4 68.1 40.5 -4.6 7.2 15.9 88 88 A I < + 0 0 0 -5,-2.9 -1,-0.2 -6,-0.2 -82,-0.2 -0.832 7.1 173.9 -89.3 104.1 -3.8 4.2 18.1 89 89 A D + 0 0 20 -84,-1.7 2,-0.4 -2,-0.9 -83,-0.2 0.858 63.9 30.6 -75.7 -40.9 -0.6 5.2 19.8 90 90 A N + 0 0 3 -85,-1.8 -59,-0.5 -59,-0.1 -83,-0.4 -0.985 69.6 133.5-129.9 131.9 -0.3 2.3 22.2 91 91 A A E - d 0 37B 0 -55,-2.2 -53,-2.5 -2,-0.4 2,-0.4 -0.933 41.4-128.0-168.4 152.2 -1.5 -1.4 21.9 92 92 A Y E -Cd 29 38B 65 -63,-2.5 -63,-2.5 -2,-0.3 2,-0.5 -0.886 17.3-162.8-101.1 139.3 -0.4 -4.9 22.4 93 93 A V E -Cd 28 39B 0 -55,-2.9 -53,-2.6 -2,-0.4 2,-0.4 -0.936 9.1-163.2-120.8 103.1 -0.9 -7.3 19.5 94 94 A E E -Cd 27 40B 44 -67,-3.1 -67,-2.4 -2,-0.5 2,-0.4 -0.733 9.3-173.6 -90.5 136.6 -0.7 -11.0 20.7 95 95 A L E -Cd 26 41B 0 -55,-2.9 -53,-1.8 -2,-0.4 -52,-0.8 -0.986 28.7-153.0-130.6 142.8 -0.1 -13.6 18.1 96 96 A S S S+ 0 0 37 -71,-1.7 2,-0.3 -2,-0.4 -70,-0.1 0.289 85.1 26.0 -91.5 4.9 -0.1 -17.5 18.2 97 97 A A S S- 0 0 6 -72,-0.2 -55,-0.1 2,-0.1 -73,-0.1 -0.926 94.0 -88.0-159.3 173.4 2.3 -17.7 15.2 98 98 A S S S+ 0 0 21 -2,-0.3 -24,-2.7 -25,-0.1 2,-0.3 0.172 100.1 57.6 -75.8 2.6 5.1 -15.8 13.4 99 99 A E B S-i 74 0E 3 -26,-0.2 -24,-0.2 -77,-0.1 -3,-0.1 -0.979 79.6-119.6-140.9 136.4 2.9 -13.8 11.0 100 100 A V - 0 0 2 -26,-2.4 -82,-0.5 -2,-0.3 -84,-0.1 -0.424 48.9 -99.4 -62.9 142.1 0.0 -11.3 11.3 101 101 A P B -F 17 0C 2 0, 0.0 -84,-0.3 0, 0.0 -1,-0.1 -0.344 22.6-140.9 -66.4 144.3 -3.1 -12.8 9.6 102 102 A I > - 0 0 3 -86,-3.0 3,-2.5 1,-0.2 4,-0.1 0.720 29.6-179.1 -78.0 -23.4 -3.7 -11.3 6.1 103 103 A M T 3 S- 0 0 53 -87,-0.4 -1,-0.2 1,-0.3 -87,-0.1 -0.361 72.2 -18.1 59.6-126.0 -7.5 -11.1 6.5 104 104 A D T 3 S- 0 0 32 2,-0.2 -1,-0.3 -2,-0.0 3,-0.1 0.316 99.2-100.3 -92.4 8.2 -9.0 -9.8 3.3 105 105 A G S < S+ 0 0 0 -3,-2.5 85,-1.6 1,-0.4 2,-0.2 0.294 97.3 77.0 92.9 -7.1 -5.6 -8.3 2.1 106 106 A S S S- 0 0 0 83,-0.2 -1,-0.4 -4,-0.1 81,-0.2 -0.431 92.1-104.2-118.9-169.2 -6.4 -4.7 3.2 107 107 A A S > S+ 0 0 0 79,-2.4 4,-2.2 78,-0.2 3,-0.5 0.436 93.9 97.7 -95.3 -2.7 -6.5 -2.8 6.4 108 108 A G H > S+ 0 0 15 78,-1.0 4,-2.4 1,-0.2 5,-0.1 0.918 81.6 48.9 -54.0 -49.0 -10.4 -2.9 6.4 109 109 A P H > S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.832 111.2 51.3 -64.3 -27.2 -10.7 -5.8 8.8 110 110 A F H > S+ 0 0 4 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.868 107.1 52.1 -76.3 -34.8 -8.2 -4.1 11.2 111 111 A V H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.916 109.7 52.0 -60.2 -41.8 -10.3 -0.9 11.1 112 112 A F H X S+ 0 0 131 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.951 111.7 45.4 -58.9 -51.4 -13.3 -3.2 12.0 113 113 A L H X S+ 0 0 10 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.931 115.4 45.5 -60.6 -44.6 -11.4 -4.6 15.0 114 114 A I H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.926 116.1 44.9 -66.2 -48.8 -10.1 -1.3 16.3 115 115 A Q H < S+ 0 0 89 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.812 113.9 50.4 -66.5 -29.6 -13.5 0.5 15.9 116 116 A S H < S+ 0 0 73 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.895 113.1 44.7 -76.6 -36.3 -15.4 -2.4 17.5 117 117 A A H < S- 0 0 4 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.850 111.4-143.6 -69.0 -35.8 -13.0 -2.6 20.5 118 118 A G < - 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