==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-JUN-12 4FPS . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS SUBSP. MOBILIS; . AUTHOR F.IMMEKUS,G.KLEBE . 363 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 6.9 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 . 4 1.1 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 . 16 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.8 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 2 5 1 0 2 0 2 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 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 PARALLEL BRIDGES PER LADDER . 0 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 0 0 0 1 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 11 A R 0 0 176 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 151.9 8.8 -10.3 26.1 2 12 A P - 0 0 63 0, 0.0 3,-0.2 0, 0.0 176,-0.0 -0.329 360.0-105.9 -76.5 167.3 10.1 -8.3 29.0 3 13 A R S S- 0 0 68 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.929 102.2 -10.3 -54.5 -47.1 9.4 -4.6 29.7 4 14 A F + 0 0 29 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.879 65.6 161.0-161.8 126.0 12.9 -3.9 28.5 5 15 A S E -A 21 0A 53 16,-1.8 16,-3.0 -2,-0.3 2,-0.5 -0.926 13.3-167.1-144.5 126.5 16.1 -5.8 27.7 6 16 A F E +A 20 0A 27 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.933 11.8 179.9-109.2 126.3 19.1 -4.7 25.6 7 17 A S E -A 19 0A 60 12,-2.9 12,-2.2 -2,-0.5 2,-0.6 -0.981 20.6-141.9-130.1 138.5 21.5 -7.3 24.6 8 18 A I E +A 18 0A 49 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.841 17.3 178.9 -96.3 122.7 24.7 -6.8 22.5 9 19 A A E + 0 0 84 8,-2.4 2,-0.3 -2,-0.6 9,-0.2 0.716 65.9 3.9 -97.3 -25.3 25.4 -9.6 20.0 10 20 A A E -A 17 0A 24 7,-1.8 7,-2.5 2,-0.0 -1,-0.3 -0.985 58.2-161.9-162.2 153.0 28.6 -8.2 18.4 11 21 A R E -A 16 0A 114 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.949 9.8-176.0-138.0 151.7 31.1 -5.4 18.6 12 22 A E E > S-A 15 0A 44 3,-2.1 3,-2.2 -2,-0.3 2,-0.2 -0.857 73.1 -48.5-147.0 105.8 33.7 -3.8 16.5 13 23 A G T 3 S- 0 0 76 -2,-0.3 -1,-0.1 1,-0.3 244,-0.1 -0.475 124.2 -21.2 65.6-132.6 35.7 -1.1 18.2 14 24 A K T 3 S+ 0 0 91 242,-0.5 -1,-0.3 -2,-0.2 2,-0.2 0.576 117.9 103.7 -85.1 -10.9 33.1 1.2 19.8 15 25 A A E < -A 12 0A 1 -3,-2.2 -3,-2.1 241,-0.2 2,-0.3 -0.476 50.2-174.2 -77.8 144.6 30.4 -0.0 17.5 16 26 A R E -A 11 0A 2 243,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.977 13.8-165.0-136.2 147.9 27.8 -2.5 18.7 17 27 A T E +A 10 0A 8 -7,-2.5 -8,-2.4 -2,-0.3 -7,-1.8 -0.986 35.6 108.1-132.2 145.5 24.9 -4.4 17.2 18 28 A G E -AB 8 29A 8 11,-1.8 11,-3.0 -2,-0.4 2,-0.3 -0.886 52.9 -78.8-179.0-156.2 22.1 -6.1 19.2 19 29 A T E -AB 7 28A 53 -12,-2.2 -12,-2.9 -2,-0.3 2,-0.5 -0.996 11.2-148.9-143.4 146.1 18.5 -6.0 20.1 20 30 A I E -AB 6 27A 0 7,-2.5 7,-3.0 -2,-0.3 2,-0.5 -0.979 21.2-157.0-109.7 120.3 16.1 -4.2 22.5 21 31 A E E +AB 5 26A 19 -16,-3.0 -16,-1.8 -2,-0.5 2,-0.3 -0.885 20.8 164.2-100.1 129.8 13.2 -6.4 23.5 22 32 A M E > - B 0 25A 1 3,-1.8 3,-1.3 -2,-0.5 -19,-0.2 -0.873 52.2 -97.3-134.1 170.1 10.1 -4.7 24.6 23 33 A K T 3 S+ 0 0 87 -20,-0.5 -20,-0.1 155,-0.3 3,-0.1 0.895 122.5 46.1 -60.1 -37.9 6.5 -5.9 25.2 24 34 A R T 3 S- 0 0 99 1,-0.2 -1,-0.3 -21,-0.2 2,-0.3 0.521 126.3 -56.7 -88.2 -2.0 5.4 -4.6 21.7 25 35 A G E < -B 22 0A 2 -3,-1.3 -3,-1.8 62,-0.2 2,-0.3 -0.853 57.7 -68.3 154.7 178.1 8.3 -6.0 19.8 26 36 A V E -B 21 0A 52 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.755 32.8-152.8 -99.7 141.4 12.1 -6.2 19.2 27 37 A I E -B 20 0A 0 -7,-3.0 -7,-2.5 -2,-0.3 2,-0.4 -0.971 10.7-143.0-116.6 118.7 14.2 -3.4 18.0 28 38 A R E -B 19 0A 77 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.654 33.5-108.3 -82.3 133.6 17.4 -4.2 16.0 29 39 A T E S+B 18 0A 0 -11,-3.0 -11,-1.8 -2,-0.4 2,-0.2 -0.915 99.0 47.7-118.5 148.8 20.2 -1.9 16.8 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 231,-0.2 0.464 92.7-174.4 -63.0 139.3 21.8 0.3 15.5 31 41 A A E -c 261 0B 4 229,-2.2 231,-1.4 -2,-0.2 2,-0.5 -0.897 27.7-152.1-117.3 142.4 18.3 1.5 14.7 32 42 A F E -c 262 0B 2 -2,-0.4 23,-0.3 229,-0.2 24,-0.3 -0.982 15.0-157.2-110.4 128.6 16.8 4.4 12.7 33 43 A M E -c 263 0B 0 229,-2.5 231,-0.7 -2,-0.5 24,-0.2 -0.908 10.9-139.5-108.3 109.3 13.4 5.6 13.9 34 44 A P - 0 0 0 0, 0.0 24,-2.7 0, 0.0 2,-0.2 -0.401 28.7-145.4 -60.8 147.7 11.2 7.5 11.4 35 45 A V B +d 58 0B 14 229,-0.4 7,-0.5 22,-0.2 2,-0.3 -0.676 22.3 178.6-117.7 169.0 9.5 10.5 13.0 36 46 A G - 0 0 12 22,-1.1 5,-0.1 -2,-0.2 3,-0.1 -0.981 22.8-154.5-161.4 157.2 6.3 12.5 12.9 37 47 A T S S+ 0 0 45 3,-0.3 23,-0.2 -2,-0.3 -1,-0.1 0.771 92.5 42.3 -99.5 -36.1 4.7 15.5 14.6 38 48 A A S S- 0 0 56 2,-0.4 -1,-0.1 21,-0.1 3,-0.1 -0.248 122.3 -80.3-114.6 43.7 1.0 14.7 14.1 39 49 A A S S+ 0 0 20 1,-0.2 2,-0.3 -3,-0.1 20,-0.1 0.826 106.9 83.7 66.1 37.9 0.5 10.9 14.8 40 50 A T S S- 0 0 61 5,-0.0 2,-0.7 6,-0.0 -2,-0.4 -0.934 80.2-124.4-161.5 144.3 1.7 9.9 11.3 41 51 A V > - 0 0 5 3,-0.5 3,-2.3 -2,-0.3 -5,-0.2 -0.872 64.5 -98.0 -84.3 114.0 5.0 9.3 9.5 42 52 A K T 3 S- 0 0 69 -2,-0.7 -1,-0.1 -7,-0.5 3,-0.1 -0.058 95.5 -4.0 -57.1 128.7 4.3 11.9 6.8 43 53 A A T 3 S+ 0 0 41 1,-0.1 2,-0.4 287,-0.1 -1,-0.3 0.496 111.9 99.9 72.9 11.3 2.9 10.4 3.6 44 54 A L < - 0 0 15 -3,-2.3 -3,-0.5 286,-0.1 -1,-0.1 -0.986 66.1-133.7-128.9 136.0 3.1 6.8 4.7 45 55 A K >> - 0 0 135 -2,-0.4 4,-2.2 1,-0.1 3,-0.8 -0.541 35.4-113.2 -66.8 147.2 0.7 4.2 6.0 46 56 A P H 3> S+ 0 0 35 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.847 118.1 58.3 -50.4 -36.3 2.1 2.3 9.1 47 57 A E H 3> S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.883 106.4 48.4 -67.2 -32.9 2.1 -0.9 7.0 48 58 A T H <> S+ 0 0 31 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.922 109.4 52.7 -69.2 -43.9 4.5 0.8 4.5 49 59 A V H <>S+ 0 0 2 -4,-2.2 5,-1.4 1,-0.2 3,-0.4 0.935 111.6 46.2 -57.8 -43.6 6.7 2.1 7.3 50 60 A R H ><5S+ 0 0 83 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.915 106.5 58.8 -67.7 -38.0 7.0 -1.4 8.7 51 61 A A H 3<5S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.770 97.2 60.2 -61.9 -29.9 7.6 -2.8 5.2 52 62 A T T 3<5S- 0 0 21 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.652 126.8-100.9 -68.0 -15.2 10.7 -0.6 4.8 53 63 A G T < 5 + 0 0 18 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.328 67.5 153.6 108.3 2.9 12.1 -2.4 7.9 54 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.404 23.0-173.8 -64.4 139.9 11.4 0.1 10.7 55 65 A D S S+ 0 0 9 -23,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.554 71.8 15.9-103.4 -17.6 11.0 -1.6 14.1 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.981 64.3-154.6-159.9 146.0 10.0 1.6 16.0 57 67 A I E - e 0 89B 4 31,-1.3 33,-2.3 -2,-0.3 2,-0.4 -0.842 18.0-123.2-124.9 164.9 8.8 5.1 15.2 58 68 A L E +de 35 90B 15 -24,-2.7 -22,-1.1 -2,-0.3 33,-0.2 -0.945 24.0 175.0-118.2 136.9 9.0 8.4 17.0 59 69 A G E - e 0 91B 8 31,-2.3 33,-2.3 -2,-0.4 2,-0.4 -0.535 22.6-128.2-119.6-177.0 6.3 10.8 18.2 60 70 A N E > - e 0 92B 9 31,-0.3 4,-1.8 -23,-0.2 5,-0.2 -0.990 8.3-142.7-147.3 136.3 6.6 14.0 20.3 61 71 A T H > S+ 0 0 0 31,-2.0 4,-2.2 -2,-0.4 5,-0.2 0.901 97.6 55.8 -57.5 -46.8 5.0 15.4 23.4 62 72 A Y H > S+ 0 0 32 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.948 112.8 37.0 -62.6 -51.5 4.9 19.0 22.3 63 73 A H H >> S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 3,-0.7 0.937 117.0 49.7 -72.6 -41.6 3.0 18.6 19.0 64 74 A L H 3<>S+ 0 0 1 -4,-1.8 5,-2.5 1,-0.3 -1,-0.2 0.837 105.6 57.5 -67.7 -29.7 0.6 15.9 20.1 65 75 A M H 3<5S+ 0 0 26 -4,-2.2 5,-0.3 -5,-0.2 -1,-0.3 0.825 112.6 41.9 -67.6 -27.2 -0.3 17.8 23.3 66 76 A L H <<5S+ 0 0 97 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.867 118.4 47.9 -82.8 -43.7 -1.4 20.7 21.0 67 77 A R T <5S- 0 0 63 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 -0.919 132.9 -9.5-152.8 120.2 -3.1 18.6 18.4 68 78 A P T 5S- 0 0 39 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.991 104.3-118.0 -88.0 1.6 -5.1 16.4 18.8 69 79 A G >< - 0 0 14 -5,-2.5 4,-2.2 -6,-0.2 -4,-0.2 0.138 10.0-112.2 104.7 138.5 -4.4 16.5 22.5 70 80 A A H > S+ 0 0 0 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.935 115.9 49.8 -70.4 -46.3 -3.0 13.9 24.9 71 81 A E H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 110.6 52.4 -57.2 -39.9 -6.1 13.4 26.9 72 82 A R H > S+ 0 0 164 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.945 108.1 49.8 -63.3 -45.6 -8.0 13.0 23.6 73 83 A I H <>S+ 0 0 0 -4,-2.2 5,-3.0 1,-0.2 4,-0.3 0.931 111.0 49.8 -61.6 -40.0 -5.6 10.3 22.3 74 84 A A H ><5S+ 0 0 37 -4,-2.4 3,-1.6 3,-0.2 -1,-0.2 0.928 108.0 53.4 -62.8 -41.0 -5.9 8.4 25.6 75 85 A K H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 108.7 51.2 -61.0 -32.8 -9.7 8.6 25.5 76 86 A L T 3<5S- 0 0 97 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.396 133.9 -86.3 -86.7 0.5 -9.5 7.1 22.0 77 87 A G T < 5S- 0 0 55 -3,-1.6 4,-0.4 -4,-0.3 -3,-0.2 0.450 72.7 -73.5 117.3 0.5 -7.3 4.2 23.1 78 88 A G >< - 0 0 10 -5,-3.0 4,-2.6 -6,-0.2 53,-0.2 -0.088 59.1 -66.9 92.5 168.1 -3.8 5.6 22.9 79 89 A L H > S+ 0 0 3 51,-2.6 4,-2.6 1,-0.2 5,-0.3 0.864 125.5 55.5 -66.0 -38.8 -1.4 6.5 20.1 80 90 A H H >>S+ 0 0 9 50,-0.5 4,-1.9 2,-0.2 5,-1.5 0.959 114.8 38.6 -60.8 -50.4 -0.8 3.0 18.9 81 91 A S H 45S+ 0 0 88 -4,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.922 115.2 55.2 -64.0 -43.3 -4.5 2.3 18.3 82 92 A F H <5S+ 0 0 92 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.910 120.8 26.9 -55.8 -50.7 -5.2 5.8 17.1 83 93 A M H <5S- 0 0 34 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.601 107.8-116.8 -96.0 -12.7 -2.6 5.8 14.3 84 94 A G T <5 + 0 0 50 -4,-1.9 2,-0.5 -5,-0.3 -3,-0.2 0.827 70.0 128.9 81.9 36.0 -2.5 2.0 13.7 85 95 A W < + 0 0 9 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.2 -0.985 29.5 179.3-120.0 114.9 1.1 1.2 14.6 86 96 A D + 0 0 116 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.414 54.4 83.9-100.0 3.9 1.3 -1.6 17.1 87 97 A R S S- 0 0 69 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.233 96.2 -53.6 -93.1 178.7 5.1 -1.8 17.5 88 98 A P - 0 0 0 0, 0.0 -31,-1.3 0, 0.0 2,-0.4 -0.281 49.3-161.6 -61.6 151.6 7.1 0.3 19.9 89 99 A I E -e 57 0B 1 -33,-0.2 45,-2.1 42,-0.2 44,-1.9 -0.996 3.7-157.1-130.0 130.5 6.9 4.1 19.9 90 100 A L E -ef 58 134B 0 -33,-2.3 -31,-2.3 -2,-0.4 2,-0.5 -0.912 12.4-157.0-101.1 137.3 9.5 6.4 21.4 91 101 A T E -ef 59 135B 0 43,-2.6 45,-1.2 -2,-0.4 -31,-0.3 -0.966 10.9-135.6-119.0 131.4 8.3 9.9 22.3 92 102 A D E -e 60 0B 20 -33,-2.3 -31,-2.0 -2,-0.5 46,-0.1 -0.373 20.4-129.6 -71.5 162.9 10.5 12.9 22.6 93 103 A S - 0 0 0 44,-0.3 -1,-0.1 -33,-0.2 33,-0.1 0.516 40.6 -99.9 -96.3 -10.4 9.7 15.0 25.7 94 104 A G S > S+ 0 0 0 -33,-0.1 4,-1.2 44,-0.0 3,-0.3 0.143 88.8 120.2 101.5 -11.7 9.3 18.5 24.4 95 105 A G H > + 0 0 0 1,-0.2 46,-2.0 42,-0.2 4,-0.6 0.741 69.2 55.8 -61.6 -22.8 12.8 19.6 25.4 96 106 A Y H >> S+ 0 0 100 1,-0.2 4,-3.2 2,-0.2 3,-1.2 0.906 104.9 53.0 -77.0 -37.5 14.0 20.4 22.0 97 107 A Q H 3> S+ 0 0 18 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.799 93.4 71.2 -64.8 -22.4 11.2 22.8 21.5 98 108 A V H 3< S+ 0 0 27 -4,-1.2 -1,-0.2 41,-0.2 -2,-0.2 0.886 115.2 27.1 -56.5 -33.2 12.3 24.4 24.8 99 109 A M H << S+ 0 0 55 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.871 121.8 50.4 -86.8 -53.9 15.2 25.6 22.6 100 110 A S H < 0 0 54 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.682 360.0 360.0 -70.9 -18.4 13.7 25.7 19.1 101 111 A L < 0 0 73 -4,-2.2 -1,-0.3 -5,-0.2 3,-0.2 -0.142 360.0 360.0-118.6 360.0 10.7 27.7 20.1 102 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 103 114 A L 0 0 105 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -3.2 7.2 31.7 22.6 104 115 A T - 0 0 60 9,-0.2 2,-0.4 -3,-0.2 9,-0.2 -0.718 360.0-160.4-120.4 159.9 8.3 30.7 26.1 105 116 A K E -K 112 0C 66 7,-2.3 7,-2.6 -2,-0.3 2,-0.3 -0.995 29.4-161.2-121.7 123.7 8.7 31.6 29.7 106 117 A Q E +K 111 0C 72 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.817 19.5 154.0-111.3 150.1 11.1 29.3 31.5 107 118 A S E > -K 110 0C 62 3,-2.2 3,-0.5 -2,-0.3 -2,-0.0 -0.948 60.4 -87.9-154.1 174.7 11.6 28.6 35.2 108 119 A E T 3 S+ 0 0 64 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.842 124.2 60.0 -60.1 -26.9 12.8 25.8 37.4 109 120 A E T 3 S- 0 0 60 1,-0.2 2,-0.3 10,-0.1 -1,-0.2 0.901 121.5 -83.2 -67.0 -39.1 9.2 24.4 37.4 110 121 A G E < -K 107 0C 7 -3,-0.5 -3,-2.2 9,-0.2 2,-0.4 -0.971 52.3 -62.2 160.5-155.4 9.0 24.0 33.6 111 122 A V E -KL 106 118C 5 7,-3.1 7,-2.9 -2,-0.3 2,-0.4 -0.998 29.7-148.3-135.2 131.5 8.3 26.0 30.4 112 123 A T E KL 105 117C 64 -7,-2.6 -7,-2.3 -2,-0.4 5,-0.2 -0.902 360.0 360.0-102.4 132.8 5.2 27.8 29.3 113 124 A F 0 0 29 3,-2.9 3,-4.1 -2,-0.4 -9,-0.2 -0.908 360.0 360.0-113.0 360.0 4.5 28.0 25.6 114 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 115 132 A R 0 0 136 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 135.6 -0.7 29.0 26.4 116 133 A H - 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0 0 101 -4,-2.6 -12,-0.3 -5,-0.2 2,-0.2 -0.800 63.0-130.4-119.3 152.9 8.9 3.7 -11.0 310 327 A S > - 0 0 22 -2,-0.3 4,-2.3 -14,-0.1 5,-0.2 -0.525 24.8-116.1 -92.5 161.4 11.4 5.8 -12.8 311 328 A R H > S+ 0 0 34 -16,-2.6 4,-2.9 -18,-0.3 5,-0.2 0.907 116.9 59.9 -54.7 -40.3 13.3 8.9 -11.8 312 329 A A H > S+ 0 0 17 -19,-2.2 4,-1.9 -17,-0.3 -1,-0.2 0.906 106.2 44.6 -57.8 -46.5 11.5 10.6 -14.8 313 330 A Y H > S+ 0 0 82 -20,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.935 115.4 46.3 -65.6 -45.7 8.0 9.8 -13.4 314 331 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.886 108.7 56.8 -67.8 -34.8 8.9 10.9 -9.9 315 332 A H H X S+ 0 0 31 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.942 110.1 46.0 -52.9 -50.2 10.6 14.1 -11.3 316 333 A H H X S+ 0 0 104 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.935 110.4 52.1 -60.5 -46.3 7.2 14.8 -12.9 317 334 A L H <>S+ 0 0 7 -4,-2.6 5,-2.4 1,-0.2 4,-0.4 0.926 112.5 44.5 -61.1 -46.8 5.2 14.1 -9.8 318 335 A I H ><5S+ 0 0 13 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.936 113.2 49.9 -66.1 -44.1 7.3 16.4 -7.6 319 336 A R H 3<5S+ 0 0 55 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.862 111.4 50.4 -63.0 -32.7 7.4 19.2 -10.1 320 337 A A T 3<5S- 0 0 56 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.474 112.0-120.4 -81.2 -4.2 3.6 18.9 -10.5 321 338 A G T < 5 + 0 0 69 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.745 53.5 165.8 70.2 27.5 3.1 19.1 -6.7 322 339 A E >>< - 0 0 110 -5,-2.4 4,-1.1 -6,-0.2 3,-0.9 -0.548 42.5-136.5 -81.0 137.1 1.4 15.7 -6.7 323 340 A I H 3> S+ 0 0 132 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.854 104.0 62.5 -57.7 -36.7 0.9 13.9 -3.4 324 341 A L H 3> S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.855 96.5 60.2 -63.8 -28.0 2.1 10.6 -4.9 325 342 A G H <> S+ 0 0 0 -3,-0.9 4,-2.6 -8,-0.2 5,-0.3 0.946 107.7 43.7 -60.8 -47.9 5.4 12.2 -5.5 326 343 A A H X S+ 0 0 20 -4,-1.1 4,-2.3 1,-0.2 5,-0.2 0.906 112.8 53.2 -63.9 -38.9 5.8 12.8 -1.8 327 344 A M H X S+ 0 0 75 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.942 113.4 42.2 -59.9 -48.4 4.6 9.3 -1.0 328 345 A L H X S+ 0 0 6 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.939 114.9 48.4 -69.1 -44.6 7.1 7.7 -3.3 329 346 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.906 113.9 48.1 -61.4 -40.6 10.0 9.8 -2.4 330 347 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.917 110.4 50.0 -68.8 -42.4 9.3 9.3 1.3 331 348 A E H X S+ 0 0 39 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.948 113.5 47.2 -59.8 -47.0 9.0 5.5 1.0 332 349 A H H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.924 112.7 47.4 -58.9 -51.2 12.2 5.3 -0.9 333 350 A N H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.910 113.7 47.2 -64.5 -39.6 14.2 7.5 1.5 334 351 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.923 113.5 48.9 -66.0 -42.0 12.9 5.6 4.6 335 352 A A H X S+ 0 0 5 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.904 109.6 52.6 -60.7 -41.1 13.7 2.3 2.9 336 353 A F H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.927 109.7 48.3 -56.7 -49.7 17.2 3.6 2.0 337 354 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.894 111.7 49.5 -60.2 -41.5 17.8 4.6 5.7 338 355 A Q H X S+ 0 0 9 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.880 110.1 50.8 -65.7 -38.1 16.6 1.2 6.8 339 356 A Q H X S+ 0 0 41 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.889 108.3 52.9 -64.1 -42.0 18.9 -0.6 4.3 340 357 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.925 109.8 48.4 -55.0 -47.9 21.8 1.6 5.6 341 358 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.898 110.5 51.1 -64.1 -39.9 21.0 0.4 9.1 342 359 A Q H X S+ 0 0 58 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.900 109.9 49.5 -60.9 -42.7 20.8 -3.2 8.0 343 360 A K H X S+ 0 0 87 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.887 111.6 49.9 -64.7 -36.6 24.2 -3.0 6.3 344 361 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.955 112.2 46.4 -66.1 -47.1 25.6 -1.4 9.4 345 362 A R H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.915 114.9 47.3 -60.0 -46.2 24.2 -4.2 11.6 346 363 A D H X S+ 0 0 62 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.903 111.3 50.3 -63.6 -42.3 25.4 -6.9 9.3 347 364 A S H <>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.2 6,-0.7 0.912 112.3 46.2 -69.4 -35.4 28.9 -5.4 8.9 348 365 A I H ><5S+ 0 0 2 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.952 111.4 53.0 -66.6 -43.1 29.4 -5.1 12.7 349 366 A S H 3<5S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.810 114.8 42.7 -55.5 -35.7 28.0 -8.7 13.1 350 367 A E T 3<5S- 0 0 119 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.336 113.0-116.9 -95.7 2.8 30.6 -9.9 10.6 351 368 A G T < 5S+ 0 0 50 -3,-1.5 -3,-0.2 -4,-0.4 -4,-0.1 0.814 89.2 102.8 67.0 30.8 33.5 -7.8 11.9 352 369 A R >< + 0 0 106 -5,-2.5 4,-2.3 -6,-0.2 -4,-0.2 -0.055 35.8 115.8-131.7 27.9 33.9 -5.7 8.7 353 370 A F H > S+ 0 0 5 -6,-0.7 4,-3.1 2,-0.2 5,-0.2 0.909 73.1 55.1 -70.0 -39.7 32.2 -2.5 9.7 354 371 A S H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 110.9 47.1 -62.7 -36.3 35.3 -0.3 9.4 355 372 A Q H > S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 112.1 50.2 -67.1 -43.2 35.7 -1.5 5.8 356 373 A F H X S+ 0 0 25 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.928 108.6 51.7 -58.6 -46.6 32.0 -0.9 5.2 357 374 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.928 113.1 46.4 -59.4 -39.2 32.3 2.6 6.6 358 375 A Q H X S+ 0 0 45 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.929 114.7 44.7 -64.5 -51.9 35.2 3.3 4.3 359 376 A D H X S+ 0 0 91 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.866 112.8 53.6 -58.6 -43.3 33.6 1.9 1.2 360 377 A F H X S+ 0 0 8 -4,-3.3 4,-3.0 -5,-0.2 5,-0.2 0.941 110.9 44.4 -59.4 -52.3 30.4 3.7 2.1 361 378 A R H X S+ 0 0 79 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.915 109.6 55.3 -64.4 -37.5 32.1 7.1 2.3 362 379 A A H < S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.949 116.8 36.8 -62.8 -44.1 34.2 6.6 -0.8 363 380 A R H < S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.921 115.1 52.4 -72.1 -44.8 31.2 6.0 -2.9 364 381 A Y H < 0 0 15 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.819 360.0 360.0 -62.6 -34.3 28.7 8.4 -1.2 365 382 A F < 0 0 148 -4,-2.2 0, 0.0 -5,-0.2 0, 0.0 -0.356 360.0 360.0 -96.5 360.0 31.1 11.3 -1.6