==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-JUN-00 1F3E . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR U.GRAEDLER,H.-D.GERBER,D.M.GOODENOUGH-LASHUA,G.A.G.GARCIA,R. . 372 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 9.1 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 . 5 1.3 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 . 24 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 3 4 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 . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 0 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 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 0 168 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 164.5 8.6 -10.2 25.8 2 12 A P - 0 0 51 0, 0.0 3,-0.2 0, 0.0 183,-0.0 -0.316 360.0-105.7 -80.7 170.4 9.9 -8.3 28.8 3 13 A R S S- 0 0 67 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.936 103.3 -9.9 -59.1 -44.1 9.1 -4.6 29.5 4 14 A F + 0 0 24 18,-0.2 -1,-0.3 19,-0.1 2,-0.3 -0.938 66.1 163.4-161.3 130.2 12.7 -3.8 28.4 5 15 A S E -A 21 0A 49 16,-1.3 16,-2.7 -2,-0.3 2,-0.5 -0.836 12.6-168.4-152.9 111.3 15.7 -5.9 27.6 6 16 A F E +A 20 0A 29 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.868 11.4 177.8-103.6 129.3 18.8 -4.6 25.7 7 17 A S E -A 19 0A 59 12,-2.6 12,-2.4 -2,-0.5 2,-0.6 -0.997 22.0-143.6-136.3 131.3 21.3 -7.2 24.5 8 18 A I E +A 18 0A 45 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.842 17.0 178.2 -94.0 118.5 24.5 -6.7 22.4 9 19 A A E + 0 0 88 8,-2.0 2,-0.3 -2,-0.6 9,-0.2 0.804 65.9 10.1 -89.1 -33.7 25.1 -9.5 20.0 10 20 A A E -A 17 0A 23 7,-2.0 7,-2.1 2,-0.0 2,-0.3 -0.981 59.7-165.0-147.3 157.9 28.3 -8.2 18.3 11 21 A R E +A 16 0A 118 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.975 11.7 179.7-142.8 155.0 30.9 -5.5 18.6 12 22 A E E > S-A 15 0A 50 3,-1.9 3,-1.6 -2,-0.3 2,-0.2 -0.789 72.6 -47.2-155.9 103.4 33.6 -3.8 16.6 13 23 A G T 3 S- 0 0 75 1,-0.3 -1,-0.2 -2,-0.3 251,-0.1 -0.482 123.2 -22.5 67.3-132.2 35.5 -1.0 18.3 14 24 A K T 3 S+ 0 0 88 249,-0.6 -1,-0.3 -2,-0.2 250,-0.1 0.660 117.5 104.0 -82.7 -17.3 33.0 1.3 19.9 15 25 A A E < -A 12 0A 1 -3,-1.6 -3,-1.9 248,-0.3 2,-0.3 -0.372 51.0-172.3 -69.3 140.0 30.2 0.1 17.5 16 26 A R E -A 11 0A 2 250,-0.3 2,-0.4 246,-0.2 -5,-0.2 -0.946 13.0-167.1-133.5 153.1 27.6 -2.3 18.8 17 27 A T E +A 10 0A 8 -7,-2.1 -8,-2.0 -2,-0.3 -7,-2.0 -0.996 36.1 102.6-139.1 135.2 24.8 -4.3 17.2 18 28 A G E -AB 8 29A 8 11,-1.7 11,-2.4 -2,-0.4 2,-0.3 -0.867 54.8 -79.9-173.6-146.8 22.0 -6.0 19.1 19 29 A T E -AB 7 28A 41 -12,-2.4 -12,-2.6 -2,-0.3 2,-0.5 -0.991 11.0-146.1-148.4 154.2 18.3 -5.8 20.1 20 30 A I E -AB 6 27A 0 7,-2.3 7,-2.6 -2,-0.3 2,-0.5 -0.988 21.8-154.1-119.1 119.1 15.9 -4.2 22.5 21 31 A E E +AB 5 26A 72 -16,-2.7 -16,-1.3 -2,-0.5 2,-0.3 -0.860 22.3 164.5 -98.1 130.2 13.0 -6.3 23.4 22 32 A M E > - B 0 25A 0 3,-1.8 3,-1.2 -2,-0.5 -19,-0.2 -0.881 51.6 -98.4-134.9 166.4 9.8 -4.6 24.5 23 33 A K T 3 S+ 0 0 85 -20,-0.5 -20,-0.1 162,-0.3 3,-0.1 0.904 122.1 45.0 -54.7 -41.7 6.2 -5.7 24.9 24 34 A R T 3 S- 0 0 104 1,-0.2 2,-0.3 -21,-0.2 -1,-0.3 0.480 125.6 -53.4 -84.4 -4.0 5.2 -4.3 21.5 25 35 A G E < -B 22 0A 0 -3,-1.2 -3,-1.8 62,-0.2 2,-0.4 -0.884 57.0 -67.7 155.5 175.1 8.2 -5.6 19.6 26 36 A V E -B 21 0A 45 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.805 33.5-154.6-101.3 137.7 11.8 -6.1 19.0 27 37 A I E -B 20 0A 0 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.4 -0.959 8.5-147.1-114.4 119.5 14.1 -3.2 18.0 28 38 A R E -B 19 0A 76 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.2 -0.727 32.7-109.7 -85.5 133.4 17.2 -4.0 16.0 29 39 A T E S+B 18 0A 0 -11,-2.4 -11,-1.7 -2,-0.4 2,-0.2 -0.910 98.8 48.9-121.7 149.9 20.1 -1.7 16.8 30 40 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 238,-0.2 0.447 93.4-173.8 -60.1 139.9 21.7 0.5 15.5 31 41 A A E -c 268 0B 3 236,-2.8 238,-2.1 -2,-0.2 2,-0.5 -0.878 26.0-152.5-118.2 146.5 18.2 1.7 14.8 32 42 A F E -c 269 0B 2 -2,-0.3 24,-0.3 236,-0.2 23,-0.3 -0.974 14.7-153.7-115.8 128.7 16.7 4.6 12.8 33 43 A M E -c 270 0B 0 236,-2.4 238,-0.8 -2,-0.5 24,-0.2 -0.898 9.3-139.3-108.1 115.6 13.4 5.9 13.9 34 44 A P - 0 0 1 0, 0.0 24,-2.6 0, 0.0 2,-0.5 -0.425 29.7-116.9 -66.0 148.2 11.1 7.6 11.3 35 45 A V E -d 58 0B 4 236,-0.4 2,-0.8 22,-0.2 7,-0.5 -0.799 20.3-162.4 -97.6 126.1 9.4 10.7 12.8 36 46 A G E +dE 59 41B 3 22,-3.1 24,-1.5 -2,-0.5 3,-0.5 -0.904 15.2 177.6-103.2 101.7 5.6 10.8 13.2 37 47 A T S S+ 0 0 51 3,-1.2 2,-0.8 -2,-0.8 23,-0.4 0.996 75.8 17.9 -69.9 -75.7 4.9 14.5 13.7 38 48 A A S S- 0 0 53 2,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.349 133.9 -68.3 -96.3 56.3 1.1 15.0 14.0 39 49 A A S S+ 0 0 15 -2,-0.8 2,-0.3 -3,-0.5 -1,-0.1 0.830 119.1 87.3 62.7 35.4 0.5 11.3 14.7 40 50 A T S S- 0 0 65 5,-0.0 -3,-1.2 6,-0.0 2,-0.9 -0.955 79.0-127.5-161.7 137.0 1.5 10.4 11.2 41 51 A V B > -EF 36 44B 4 3,-0.5 3,-2.1 -2,-0.3 -5,-0.2 -0.868 62.1 -93.0 -86.8 108.0 4.8 9.6 9.4 42 52 A K T 3 S- 0 0 74 -2,-0.9 -1,-0.1 -7,-0.5 3,-0.1 0.064 96.9 -10.8 -30.9 115.5 4.4 12.2 6.6 43 53 A A T 3 S+ 0 0 36 1,-0.2 2,-0.4 294,-0.1 -1,-0.3 0.639 112.9 106.2 65.7 20.9 2.8 10.8 3.4 44 54 A L B < -F 41 0B 18 -3,-2.1 -3,-0.5 293,-0.1 -1,-0.2 -0.992 65.2-134.9-136.4 134.7 3.0 7.2 4.6 45 55 A K >> - 0 0 132 -2,-0.4 4,-1.7 1,-0.1 3,-0.9 -0.532 36.9-113.5 -74.3 150.6 0.5 4.6 5.9 46 56 A P H 3> S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.850 117.9 59.1 -56.3 -34.3 1.9 2.8 9.0 47 57 A E H 3> S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.857 105.3 49.3 -63.2 -33.7 2.1 -0.4 7.0 48 58 A T H <> S+ 0 0 29 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.871 107.8 53.3 -73.4 -36.8 4.4 1.3 4.5 49 59 A V H <>S+ 0 0 0 -4,-1.7 5,-1.3 2,-0.2 3,-0.4 0.933 112.4 45.3 -62.0 -43.8 6.6 2.6 7.3 50 60 A R H ><5S+ 0 0 83 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.904 106.3 60.3 -66.8 -38.2 6.9 -1.0 8.6 51 61 A A H 3<5S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 96.5 60.9 -60.0 -29.5 7.5 -2.3 5.0 52 62 A T T 3<5S- 0 0 18 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.642 127.0 -99.3 -72.9 -14.8 10.6 -0.1 4.8 53 63 A G T < 5 + 0 0 19 -3,-1.9 -3,-0.2 -4,-0.3 2,-0.2 0.396 68.8 154.6 112.8 -0.4 12.1 -2.1 7.8 54 64 A A < - 0 0 0 -5,-1.3 -1,-0.3 1,-0.1 3,-0.1 -0.406 22.5-177.5 -65.7 131.1 11.3 0.3 10.7 55 65 A D S S+ 0 0 8 -23,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.574 72.7 13.7 -99.2 -18.1 10.9 -1.4 14.1 56 66 A I - 0 0 1 -24,-0.3 2,-0.3 31,-0.1 -1,-0.3 -0.985 62.9-157.1-157.7 149.7 10.0 1.7 15.9 57 67 A I E - g 0 89B 2 31,-1.3 33,-2.4 -2,-0.3 2,-0.4 -0.875 21.0-119.1-127.2 162.4 9.0 5.3 15.2 58 68 A L E -dg 35 90B 2 -24,-2.6 -22,-3.1 -2,-0.3 2,-0.4 -0.822 18.6-152.1-104.3 142.6 9.2 8.6 17.2 59 69 A G E -dg 36 91B 4 31,-2.7 33,-1.7 -2,-0.4 2,-0.8 -0.956 15.3-130.6-115.6 131.9 6.2 10.6 18.3 60 70 A N > - 0 0 9 -24,-1.5 4,-1.8 -2,-0.4 5,-0.1 -0.738 15.6-167.6 -84.3 111.8 6.4 14.4 18.8 61 71 A T H > S+ 0 0 0 -2,-0.8 4,-2.5 2,-0.2 5,-0.2 0.859 83.4 58.9 -64.2 -39.6 4.9 15.3 22.2 62 72 A Y H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.950 110.2 40.4 -56.0 -54.8 4.8 19.0 21.5 63 73 A H H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 115.6 51.6 -62.8 -43.3 2.6 18.7 18.4 64 74 A L H <>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 -1,-0.2 0.844 106.5 51.8 -65.1 -38.0 0.4 16.0 19.9 65 75 A M H <5S+ 0 0 18 -4,-2.5 5,-0.3 4,-0.2 -1,-0.2 0.827 119.0 39.7 -69.2 -29.1 -0.4 17.9 23.1 66 76 A L H <5S+ 0 0 25 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.1 0.973 119.2 36.2 -81.0 -69.3 -1.4 20.9 21.0 67 77 A R T <5S+ 0 0 173 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.969 137.1 2.8 -57.5 -85.5 -3.3 19.6 18.0 68 78 A P T 5S- 0 0 28 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 0.950 105.9-122.4 -74.2 -33.6 -5.4 16.6 18.9 69 79 A G >< - 0 0 14 -5,-2.5 4,-1.9 -6,-0.2 -4,-0.2 0.040 6.3-109.7 106.5 140.0 -4.5 16.8 22.6 70 80 A A H > S+ 0 0 1 -5,-0.3 4,-2.1 2,-0.2 5,-0.1 0.938 117.9 47.8 -66.3 -48.0 -3.0 14.2 25.0 71 81 A E H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 111.5 51.4 -60.4 -40.5 -6.2 13.6 26.9 72 82 A R H > S+ 0 0 160 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 108.7 50.1 -63.5 -45.6 -8.2 13.2 23.7 73 83 A I H <>S+ 0 0 0 -4,-1.9 5,-2.9 1,-0.2 4,-0.2 0.886 110.3 51.5 -61.6 -37.5 -5.8 10.6 22.3 74 84 A A H ><5S+ 0 0 36 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.938 108.5 50.2 -65.1 -44.4 -6.0 8.7 25.6 75 85 A K H 3<5S+ 0 0 170 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.786 108.0 55.1 -63.7 -26.9 -9.8 8.7 25.4 76 86 A L T 3<5S- 0 0 87 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.456 131.9 -90.9 -85.2 -2.9 -9.5 7.4 21.9 77 87 A G T < 5S- 0 0 53 -3,-1.8 4,-0.4 -4,-0.2 -3,-0.2 0.523 72.3 -64.5 107.8 7.1 -7.4 4.5 23.0 78 88 A G >< - 0 0 11 -5,-2.9 4,-2.5 -6,-0.1 60,-0.2 -0.127 59.6 -75.1 100.5 161.8 -3.8 5.7 22.8 79 89 A L H > S+ 0 0 3 58,-2.6 4,-2.9 2,-0.2 5,-0.3 0.864 125.3 57.4 -63.4 -39.7 -1.5 6.8 20.0 80 90 A H H >>S+ 0 0 8 57,-0.5 4,-1.5 2,-0.2 5,-1.5 0.942 114.2 37.9 -56.5 -51.6 -0.9 3.2 18.7 81 91 A S H 45S+ 0 0 85 -4,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.928 115.1 55.9 -64.5 -47.9 -4.5 2.6 18.2 82 92 A F H <5S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.907 120.2 26.8 -52.9 -51.6 -5.2 6.2 16.9 83 93 A M H <5S- 0 0 29 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.587 107.7-114.2 -93.9 -10.1 -2.6 6.1 14.1 84 94 A G T <5S+ 0 0 52 -4,-1.5 2,-0.5 -5,-0.3 -3,-0.2 0.807 71.9 128.8 83.8 27.2 -2.5 2.4 13.4 85 95 A W < + 0 0 8 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.2 -0.975 29.5 179.0-116.1 112.9 1.1 1.6 14.5 86 96 A D + 0 0 115 -2,-0.5 -1,-0.1 -3,-0.1 3,-0.1 0.382 55.0 84.2 -95.7 3.4 1.1 -1.4 16.9 87 97 A R S S- 0 0 67 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.288 94.7 -52.5 -95.3-179.7 4.9 -1.5 17.4 88 98 A P - 0 0 0 0, 0.0 -31,-1.3 0, 0.0 2,-0.4 -0.191 49.0-164.8 -56.0 149.6 7.1 0.5 19.8 89 99 A I E -g 57 0B 2 -33,-0.2 51,-2.3 49,-0.1 52,-1.8 -0.992 6.7-157.6-138.6 121.7 6.9 4.3 19.8 90 100 A L E -gh 58 141B 0 -33,-2.4 -31,-2.7 -2,-0.4 2,-0.4 -0.884 14.5-159.6 -97.9 131.7 9.5 6.5 21.4 91 101 A T E -gh 59 142B 0 50,-2.4 52,-1.2 -2,-0.5 -31,-0.2 -0.948 10.7-134.4-115.0 134.7 8.1 9.9 22.4 92 102 A D - 0 0 25 -33,-1.7 -31,-0.2 -2,-0.4 53,-0.1 -0.304 29.5-109.6 -74.9 170.9 10.3 13.0 22.9 93 103 A S - 0 0 5 51,-0.3 40,-0.1 49,-0.1 -1,-0.1 0.682 39.4-123.1 -77.7 -17.3 9.5 15.2 26.0 94 104 A G S > S+ 0 0 2 31,-0.0 4,-0.9 -33,-0.0 3,-0.2 0.078 85.8 106.4 96.5 -21.2 8.1 18.1 24.0 95 105 A G H >> S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.882 71.5 53.9 -57.5 -48.4 10.6 20.5 25.5 96 106 A Y H 3> S+ 0 0 133 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.885 111.5 45.2 -56.4 -44.1 12.9 20.9 22.5 97 107 A Q H 3>>S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 5,-0.7 0.636 105.3 63.2 -76.2 -14.9 10.1 21.9 20.2 98 108 A V H - 0 0 9 -15,-0.2 4,-2.7 -2,-0.2 5,-0.3 -0.849 58.6 -88.4-145.5 174.0 7.1 20.4 33.3 127 137 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.929 129.1 44.5 -55.8 -39.9 8.9 17.1 34.1 128 138 A E H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.900 115.3 45.2 -70.2 -44.9 5.7 15.8 35.6 129 139 A R H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.855 112.8 51.5 -68.4 -37.3 3.3 17.0 32.9 130 140 A S H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.926 111.6 46.0 -65.0 -47.5 5.6 15.7 30.1 131 141 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.914 114.1 50.7 -61.1 -41.2 5.9 12.3 31.6 132 142 A E H X S+ 0 0 66 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.879 109.7 48.7 -64.2 -42.1 2.1 12.3 32.1 133 143 A I H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.915 110.4 50.9 -65.0 -43.7 1.4 13.3 28.5 134 144 A Q H X>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-0.8 0.844 110.9 50.2 -62.6 -32.7 3.7 10.6 27.2 135 145 A H H ><5S+ 0 0 37 -4,-1.8 3,-1.2 2,-0.2 -2,-0.2 0.948 108.0 51.7 -68.8 -48.2 1.8 8.2 29.4 136 146 A L H 3<5S+ 0 0 35 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.827 108.5 52.8 -56.8 -33.3 -1.5 9.4 28.0 137 147 A L H 3<5S- 0 0 0 -4,-1.9 -58,-2.6 -59,-0.2 -57,-0.5 0.723 113.4-122.4 -75.0 -22.6 -0.1 8.8 24.6 138 148 A G T <<5 - 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0 0 90 -4,-3.0 -12,-0.3 -5,-0.2 2,-0.2 -0.868 62.7-131.2-123.8 154.5 8.8 4.0 -10.9 317 327 A S > - 0 0 21 -2,-0.3 4,-2.0 -14,-0.1 5,-0.2 -0.485 27.9-114.4 -93.8 166.3 11.5 6.0 -12.7 318 328 A R H > S+ 0 0 33 -16,-2.5 4,-2.9 -18,-0.4 5,-0.2 0.924 117.3 59.2 -61.6 -42.8 13.3 9.2 -11.8 319 329 A A H > S+ 0 0 17 -19,-2.8 4,-2.0 -17,-0.3 -1,-0.2 0.881 106.9 45.4 -53.8 -45.5 11.6 10.9 -14.7 320 330 A Y H > S+ 0 0 86 -20,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.908 115.4 45.1 -67.4 -43.6 8.1 10.1 -13.2 321 331 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.842 110.2 56.2 -70.0 -31.6 9.0 11.3 -9.7 322 332 A H H X S+ 0 0 15 -4,-2.9 4,-2.5 -25,-0.3 -2,-0.2 0.944 110.4 44.9 -62.2 -49.4 10.7 14.4 -11.2 323 333 A H H X S+ 0 0 103 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.911 112.6 51.5 -60.5 -46.1 7.4 15.2 -12.9 324 334 A L H <>S+ 0 0 7 -4,-2.3 5,-2.6 2,-0.2 8,-0.3 0.889 112.0 45.2 -59.5 -46.0 5.4 14.5 -9.8 325 335 A I H ><5S+ 0 0 12 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.955 114.6 47.8 -65.8 -47.5 7.5 16.7 -7.5 326 336 A R H 3<5S+ 0 0 132 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.789 110.4 53.2 -65.7 -24.0 7.5 19.6 -10.1 327 337 A A T 3<5S- 0 0 50 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.481 112.5-121.3 -87.2 -4.7 3.8 19.2 -10.5 328 338 A G T < 5 + 0 0 61 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.768 53.7 166.8 69.4 25.1 3.3 19.5 -6.7 329 339 A E >>< - 0 0 108 -5,-2.6 3,-1.1 -6,-0.2 4,-1.0 -0.551 42.9-136.1 -78.7 136.0 1.6 16.1 -6.7 330 340 A I H 3> S+ 0 0 127 -2,-0.3 4,-2.3 1,-0.3 3,-0.5 0.863 105.1 61.1 -55.3 -40.2 1.0 14.3 -3.4 331 341 A L H 3> S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.824 97.0 61.5 -59.8 -29.0 2.1 11.0 -4.9 332 342 A G H <> S+ 0 0 0 -3,-1.1 4,-2.2 -8,-0.3 -1,-0.2 0.933 107.5 42.9 -61.4 -44.5 5.5 12.7 -5.5 333 343 A A H X S+ 0 0 17 -4,-1.0 4,-2.4 -3,-0.5 5,-0.2 0.884 113.4 52.4 -67.4 -42.0 5.8 13.2 -1.7 334 344 A M H X S+ 0 0 72 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.943 114.2 41.9 -59.4 -50.1 4.6 9.6 -1.0 335 345 A L H X S+ 0 0 6 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.883 115.2 48.7 -66.8 -42.8 7.1 8.0 -3.3 336 346 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.911 114.0 47.2 -64.9 -42.4 10.1 10.2 -2.3 337 347 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 -59,-0.2 5,-0.3 0.928 110.5 50.6 -65.9 -46.9 9.4 9.6 1.4 338 348 A E H X S+ 0 0 35 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.934 113.3 46.5 -58.1 -47.1 9.0 5.9 1.1 339 349 A H H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.935 112.7 48.8 -60.7 -49.6 12.2 5.6 -0.8 340 350 A N H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.889 113.4 45.4 -59.6 -43.0 14.2 7.8 1.6 341 351 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.881 114.0 50.8 -68.5 -36.0 13.0 6.0 4.8 342 352 A A H X S+ 0 0 5 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.891 108.3 52.5 -66.8 -38.9 13.7 2.7 3.0 343 353 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.923 109.9 48.5 -62.2 -45.4 17.2 4.0 2.1 344 354 A Y H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.903 111.2 49.5 -61.4 -43.7 17.8 4.8 5.8 345 355 A Q H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.863 110.1 51.0 -65.1 -35.3 16.6 1.4 7.0 346 356 A Q H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.859 108.7 52.6 -69.2 -33.1 18.9 -0.3 4.4 347 357 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.918 109.5 48.4 -66.9 -42.6 21.7 1.8 5.7 348 358 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.880 111.6 50.1 -65.6 -36.1 20.9 0.6 9.2 349 359 A Q H X S+ 0 0 61 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.890 110.0 49.4 -69.0 -40.2 20.8 -3.0 8.0 350 360 A K H X S+ 0 0 76 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.831 113.1 48.7 -67.3 -32.1 24.2 -2.7 6.2 351 361 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.940 112.3 46.7 -71.5 -47.8 25.6 -1.2 9.5 352 362 A R H X S+ 0 0 11 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.897 114.9 46.7 -61.2 -44.4 24.1 -4.0 11.7 353 363 A D H X S+ 0 0 64 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.889 111.0 51.0 -66.2 -42.8 25.3 -6.7 9.3 354 364 A S H <>S+ 0 0 0 -4,-1.8 5,-3.2 -5,-0.2 6,-0.7 0.843 112.1 47.3 -66.5 -32.3 28.8 -5.3 8.9 355 365 A I H ><5S+ 0 0 2 -4,-1.9 3,-1.9 4,-0.2 -344,-0.2 0.952 110.8 51.1 -71.5 -47.6 29.2 -5.0 12.7 356 366 A S H 3<5S+ 0 0 68 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.744 115.6 44.4 -57.7 -27.2 27.9 -8.6 13.2 357 367 A E T 3<5S- 0 0 123 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.275 112.5-117.4-102.9 8.3 30.5 -9.7 10.6 358 368 A G T < 5S+ 0 0 53 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.811 89.9 100.3 60.6 34.7 33.4 -7.7 11.9 359 369 A R >< + 0 0 109 -5,-3.2 4,-1.9 -6,-0.1 -4,-0.2 0.018 35.5 116.8-136.9 26.8 33.8 -5.5 8.8 360 370 A F H > S+ 0 0 5 -6,-0.7 4,-2.9 2,-0.2 5,-0.2 0.915 74.6 55.4 -62.7 -46.1 32.0 -2.3 9.9 361 371 A S H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.888 109.6 47.6 -56.5 -39.9 35.2 -0.1 9.6 362 372 A Q H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.888 111.1 51.7 -68.3 -38.3 35.5 -1.3 6.0 363 373 A F H X S+ 0 0 25 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.920 108.0 51.2 -62.7 -45.0 31.9 -0.6 5.4 364 374 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.876 113.1 46.3 -59.2 -39.8 32.2 3.0 6.8 365 375 A Q H X S+ 0 0 115 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.932 114.9 44.3 -68.9 -49.7 35.2 3.6 4.5 366 376 A D H X S+ 0 0 85 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.901 111.9 55.0 -62.7 -41.2 33.5 2.2 1.3 367 377 A F H X S+ 0 0 9 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.920 111.8 42.7 -58.1 -48.2 30.3 4.0 2.1 368 378 A R H X S+ 0 0 72 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.838 108.2 58.3 -68.9 -37.2 32.1 7.4 2.3 369 379 A A H < S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.944 118.2 32.7 -58.4 -45.8 34.3 6.8 -0.7 370 380 A R H < S+ 0 0 94 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.895 116.9 53.5 -79.1 -42.2 31.1 6.4 -2.8 371 381 A Y H < 0 0 18 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.798 360.0 360.0 -65.7 -28.8 28.8 8.8 -1.0 372 382 A F < 0 0 144 -4,-2.0 0, 0.0 -5,-0.2 0, 0.0 -0.349 360.0 360.0-118.5 360.0 31.3 11.6 -1.3