==== 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 03-DEC-04 1Y5W . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR B.STENGL,E.A.MEYER,A.HEINE,R.BRENK,F.DIEDERICH,G.KLEBE . 357 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 7.0 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.4 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 2 4 1 0 2 0 2 1 0 1 0 0 0 0 0 0 0 0 0 1 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 . 2 2 0 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 0 160 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 160.3 8.7 -10.3 25.8 2 12 A P - 0 0 50 0, 0.0 3,-0.2 0, 0.0 170,-0.0 -0.408 360.0-108.6 -74.0 163.0 10.2 -8.4 28.7 3 13 A R S S- 0 0 67 1,-0.3 20,-0.4 19,-0.2 2,-0.3 0.917 101.2 -12.0 -51.4 -48.1 9.6 -4.7 29.5 4 14 A F + 0 0 25 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.848 65.0 161.8-163.6 124.5 13.1 -4.0 28.3 5 15 A S E -A 21 0A 48 16,-1.8 16,-2.9 -2,-0.3 2,-0.6 -0.889 14.1-166.3-146.5 115.9 16.2 -6.0 27.5 6 16 A F E -A 20 0A 26 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.899 11.8-177.2-100.4 123.5 19.1 -4.8 25.5 7 17 A S E -A 19 0A 60 12,-2.7 12,-2.2 -2,-0.6 2,-0.7 -0.969 19.1-145.6-124.3 133.6 21.5 -7.5 24.2 8 18 A I E +A 18 0A 43 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.890 17.8 177.2 -97.7 115.5 24.7 -6.9 22.3 9 19 A A E + 0 0 82 8,-2.1 2,-0.3 -2,-0.7 9,-0.2 0.752 64.5 5.0 -90.0 -28.0 25.3 -9.7 19.8 10 20 A A E -A 17 0A 24 7,-1.8 7,-2.7 2,-0.0 2,-0.3 -0.997 58.7-163.0-159.7 155.3 28.5 -8.4 18.2 11 21 A R E -A 16 0A 112 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.972 10.4-178.4-141.6 151.1 31.1 -5.6 18.3 12 22 A E E > S-A 15 0A 47 3,-2.2 3,-2.3 -2,-0.3 2,-0.1 -0.869 72.3 -44.5-148.6 114.0 33.8 -4.1 16.2 13 23 A G T 3 S- 0 0 77 -2,-0.3 238,-0.1 1,-0.3 -1,-0.1 -0.421 124.7 -24.7 62.1-133.8 35.8 -1.2 17.8 14 24 A K T 3 S+ 0 0 88 236,-0.6 -1,-0.3 -2,-0.1 2,-0.2 0.535 118.6 104.5 -84.3 -10.1 33.2 1.0 19.5 15 25 A A E < -A 12 0A 1 -3,-2.3 -3,-2.2 235,-0.2 2,-0.3 -0.450 49.3-175.3 -78.0 149.1 30.5 -0.2 17.2 16 26 A R E -A 11 0A 3 237,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.976 12.7-165.8-139.6 149.6 27.8 -2.6 18.4 17 27 A T E +A 10 0A 7 -7,-2.7 -8,-2.1 -2,-0.3 -7,-1.8 -0.997 35.1 101.5-135.9 143.1 24.9 -4.6 17.0 18 28 A G E -AB 8 29A 8 11,-1.8 11,-3.0 -2,-0.4 2,-0.3 -0.872 55.5 -69.7-175.8-141.5 22.1 -6.3 18.9 19 29 A T E -AB 7 28A 44 -12,-2.2 -12,-2.7 -2,-0.3 2,-0.5 -0.986 11.3-149.7-144.9 144.9 18.5 -6.1 20.0 20 30 A I E -AB 6 27A 0 7,-2.6 7,-2.6 -2,-0.3 2,-0.5 -0.983 23.2-157.8-110.1 117.0 16.2 -4.3 22.3 21 31 A E E +AB 5 26A 62 -16,-2.9 -16,-1.8 -2,-0.5 2,-0.3 -0.868 20.7 163.7 -95.6 131.7 13.3 -6.5 23.3 22 32 A M E > - B 0 25A 1 3,-1.8 3,-1.4 -2,-0.5 -19,-0.2 -0.871 52.1 -97.3-136.3 167.5 10.2 -4.7 24.5 23 33 A K T 3 S+ 0 0 84 -20,-0.4 -20,-0.1 149,-0.3 3,-0.1 0.875 122.4 47.2 -59.6 -37.4 6.6 -5.9 25.0 24 34 A R T 3 S- 0 0 99 1,-0.2 -1,-0.3 -21,-0.2 2,-0.3 0.455 126.1 -60.3 -87.4 1.5 5.5 -4.5 21.6 25 35 A G E < -B 22 0A 1 -3,-1.4 -3,-1.8 62,-0.2 2,-0.4 -0.855 58.1 -62.8 149.4 179.3 8.3 -6.0 19.7 26 36 A V E -B 21 0A 47 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.788 34.0-153.6 -99.1 138.0 12.1 -6.3 19.0 27 37 A I E -B 20 0A 0 -7,-2.6 -7,-2.6 -2,-0.4 2,-0.4 -0.966 12.0-142.4-114.1 116.7 14.3 -3.4 17.8 28 38 A R E -B 19 0A 79 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.644 32.2-108.0 -78.8 130.1 17.3 -4.2 15.8 29 39 A T E S+B 18 0A 0 -11,-3.0 -11,-1.8 -2,-0.4 2,-0.2 -0.901 100.0 46.0-116.7 148.2 20.3 -2.1 16.6 30 40 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 225,-0.2 0.468 93.6-172.3 -60.0 138.1 21.8 0.1 15.2 31 41 A A E -c 255 0B 3 223,-2.4 225,-1.7 -2,-0.2 2,-0.5 -0.909 27.3-152.8-116.0 142.8 18.3 1.4 14.6 32 42 A F E -c 256 0B 2 -2,-0.3 23,-0.3 223,-0.2 24,-0.3 -0.984 15.9-156.2-113.4 127.1 16.8 4.2 12.5 33 43 A M E -c 257 0B 0 223,-2.6 225,-0.7 -2,-0.5 24,-0.2 -0.912 10.8-138.6-107.0 106.8 13.5 5.6 13.8 34 44 A P - 0 0 0 0, 0.0 24,-2.9 0, 0.0 2,-0.4 -0.391 26.5-123.6 -57.4 145.7 11.2 7.3 11.2 35 45 A V B -d 58 0B 26 223,-0.4 2,-0.6 22,-0.2 7,-0.5 -0.764 19.8-164.7-104.3 136.9 9.7 10.4 12.8 36 46 A G B -K 41 0C 5 22,-3.2 3,-0.5 -2,-0.4 24,-0.3 -0.957 5.3-175.0-116.1 112.7 5.9 11.0 12.9 37 47 A T S S+ 0 0 46 3,-0.9 -1,-0.1 -2,-0.6 4,-0.1 0.786 81.2 19.3 -88.8 -23.0 5.2 14.6 13.7 38 48 A A S S- 0 0 52 2,-0.8 -1,-0.2 25,-0.1 3,-0.1 -0.305 131.8 -68.0-136.9 56.4 1.4 14.6 14.1 39 49 A A S S+ 0 0 16 -3,-0.5 2,-0.3 1,-0.1 -2,-0.1 0.792 117.2 85.1 61.0 36.0 0.7 10.9 14.7 40 50 A T S S- 0 0 61 5,-0.0 -3,-0.9 6,-0.0 -2,-0.8 -0.914 79.5-127.5-157.6 140.4 1.7 10.1 11.2 41 51 A V B > -K 36 0C 4 3,-0.5 3,-2.1 -2,-0.3 -5,-0.2 -0.817 62.8 -97.6 -78.9 115.3 5.0 9.3 9.4 42 52 A K T 3 S- 0 0 74 -2,-0.7 -1,-0.1 -7,-0.5 3,-0.1 -0.137 96.0 -4.8 -56.0 126.6 4.3 11.9 6.7 43 53 A A T 3 S+ 0 0 42 1,-0.1 2,-0.4 281,-0.1 -1,-0.3 0.498 112.4 100.1 74.7 11.2 2.9 10.5 3.5 44 54 A L < - 0 0 15 -3,-2.1 -3,-0.5 280,-0.1 -1,-0.1 -0.985 66.6-133.9-129.1 133.6 3.1 6.8 4.6 45 55 A K >> - 0 0 135 -2,-0.4 4,-2.0 1,-0.1 3,-0.8 -0.493 36.0-113.4 -65.0 149.4 0.7 4.3 6.0 46 56 A P H 3> S+ 0 0 37 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.848 117.4 60.5 -59.4 -33.7 2.1 2.5 9.0 47 57 A E H 3> S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.854 105.9 48.5 -62.7 -31.0 2.1 -0.7 7.0 48 58 A T H <> S+ 0 0 29 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.905 107.8 53.1 -72.8 -41.4 4.5 0.9 4.5 49 59 A V H <>S+ 0 0 2 -4,-2.0 5,-1.5 1,-0.2 3,-0.5 0.948 112.3 46.4 -57.0 -45.5 6.7 2.2 7.3 50 60 A R H ><5S+ 0 0 82 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.916 107.0 57.4 -63.7 -40.2 7.0 -1.4 8.5 51 61 A A H 3<5S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.747 98.3 60.0 -63.5 -26.2 7.6 -2.7 5.0 52 62 A T T 3<5S- 0 0 18 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.616 127.2-100.1 -72.9 -15.1 10.6 -0.5 4.7 53 63 A G T < 5 + 0 0 18 -3,-2.0 -3,-0.2 -4,-0.4 -2,-0.1 0.372 68.0 152.9 110.8 4.7 12.1 -2.3 7.7 54 64 A A < - 0 0 0 -5,-1.5 -1,-0.3 1,-0.1 3,-0.1 -0.409 22.1-176.1 -67.4 138.3 11.4 0.1 10.6 55 65 A D S S+ 0 0 7 -23,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.536 71.9 17.1-103.6 -16.9 11.0 -1.6 14.0 56 66 A I - 0 0 0 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.985 65.0-153.7-154.2 146.8 10.2 1.6 15.9 57 67 A I E - e 0 89B 2 31,-1.4 33,-2.3 -2,-0.3 2,-0.4 -0.870 16.9-125.2-122.9 161.0 9.0 5.1 15.1 58 68 A L E +de 35 90B 12 -24,-2.9 -22,-3.2 -2,-0.3 33,-0.2 -0.905 26.7 169.0-105.1 140.5 9.4 8.4 17.0 59 69 A G E - e 0 91B 5 31,-2.4 33,-2.9 -2,-0.4 2,-0.4 -0.674 24.6-126.3-124.9-170.6 6.8 10.9 18.1 60 70 A N E > - e 0 92B 15 31,-0.3 4,-1.3 -24,-0.3 5,-0.4 -0.976 8.5-140.1-148.8 133.7 7.0 13.9 20.4 61 71 A T H > S+ 0 0 0 31,-1.9 4,-1.4 -2,-0.4 -1,-0.1 0.909 100.4 56.2 -55.2 -42.9 5.2 15.2 23.6 62 72 A Y H > S+ 0 0 53 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.965 109.8 41.1 -60.7 -52.5 5.1 18.8 22.5 63 73 A H H >> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 3,-1.4 0.976 116.8 43.0 -66.3 -60.1 3.4 18.4 19.2 64 74 A L H 3<>S+ 0 0 3 -4,-1.3 5,-3.0 1,-0.3 -1,-0.2 0.796 106.0 65.2 -49.3 -35.4 0.7 15.8 20.0 65 75 A M H 3<5S+ 0 0 33 -4,-1.4 5,-0.5 -5,-0.4 -1,-0.3 0.813 108.4 40.1 -67.7 -22.7 -0.1 17.6 23.2 66 76 A L H <<5S+ 0 0 102 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 0.866 120.5 45.7 -88.5 -49.0 -1.3 20.6 21.2 67 77 A R T <5S- 0 0 202 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 -0.946 132.0 -2.0-148.5 123.3 -3.1 18.6 18.5 68 78 A P T 5S- 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -3,-0.2 -0.997 105.4-117.4 -84.1 -5.7 -4.8 16.3 19.0 69 79 A G >< - 0 0 16 -5,-3.0 4,-2.2 -6,-0.1 -4,-0.2 0.014 11.5-115.0 111.9 133.1 -4.3 16.6 22.8 70 80 A A H > S+ 0 0 1 -5,-0.5 4,-2.3 2,-0.2 5,-0.1 0.931 115.8 48.4 -68.6 -44.4 -2.7 14.0 25.1 71 81 A E H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 110.5 53.8 -62.6 -39.3 -5.8 13.4 27.1 72 82 A R H > S+ 0 0 159 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.938 107.7 48.0 -62.2 -48.3 -7.8 13.0 23.9 73 83 A I H <>S+ 0 0 0 -4,-2.2 5,-3.0 1,-0.2 4,-0.4 0.934 111.7 51.4 -59.6 -37.7 -5.5 10.4 22.5 74 84 A A H ><5S+ 0 0 37 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.937 107.4 52.3 -64.0 -43.7 -5.7 8.5 25.8 75 85 A K H 3<5S+ 0 0 189 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.838 109.7 51.7 -57.9 -35.0 -9.5 8.7 25.6 76 86 A L T 3<5S- 0 0 93 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.448 132.6 -86.6 -86.3 2.2 -9.2 7.2 22.2 77 87 A G T < 5S- 0 0 55 -3,-1.7 4,-0.4 -4,-0.4 -3,-0.2 0.483 72.6 -72.4 113.8 0.6 -7.1 4.3 23.2 78 88 A G >< - 0 0 9 -5,-3.0 4,-2.3 -6,-0.2 47,-0.2 -0.089 59.5 -69.6 94.5 164.4 -3.6 5.6 23.0 79 89 A L H > S+ 0 0 4 45,-2.5 4,-2.8 1,-0.2 5,-0.4 0.872 123.4 60.6 -62.6 -38.1 -1.3 6.6 20.1 80 90 A H H >>S+ 0 0 15 44,-0.5 4,-1.6 1,-0.2 5,-1.4 0.961 113.7 34.3 -58.5 -51.0 -0.7 3.0 18.8 81 91 A S H 45S+ 0 0 86 -4,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.901 115.7 58.9 -73.6 -35.5 -4.4 2.3 18.1 82 92 A F H <5S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.938 119.6 26.3 -54.2 -53.3 -5.0 5.9 17.0 83 93 A M H <5S- 0 0 31 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.603 108.5-116.1 -93.1 -12.3 -2.4 5.8 14.2 84 94 A G T <5S+ 0 0 50 -4,-1.6 2,-0.5 -5,-0.4 -3,-0.2 0.830 71.2 128.6 84.3 29.1 -2.4 2.1 13.5 85 95 A W < - 0 0 10 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.2 -0.972 30.5-179.8-117.1 114.0 1.2 1.3 14.5 86 96 A D + 0 0 121 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.383 54.5 83.1-101.0 6.1 1.4 -1.6 17.0 87 97 A R S S- 0 0 69 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.287 95.4 -53.2 -96.8 176.7 5.2 -1.8 17.5 88 98 A P - 0 0 0 0, 0.0 -31,-1.4 0, 0.0 2,-0.4 -0.240 48.5-162.7 -58.0 148.7 7.3 0.3 19.8 89 99 A I E -e 57 0B 1 -33,-0.2 38,-2.0 36,-0.2 39,-1.8 -0.998 5.6-154.7-127.2 128.4 7.1 4.1 19.8 90 100 A L E -ef 58 128B 0 -33,-2.3 -31,-2.4 -2,-0.4 2,-0.5 -0.909 15.0-158.8 -97.5 131.2 9.8 6.4 21.3 91 101 A T E -ef 59 129B 0 37,-2.7 39,-1.0 -2,-0.4 -31,-0.3 -0.952 11.0-133.8-112.4 134.8 8.4 9.8 22.3 92 102 A D E -e 60 0B 24 -33,-2.9 -31,-1.9 -2,-0.5 40,-0.1 -0.372 20.9-125.0 -74.3 167.6 10.5 12.9 22.8 93 103 A S - 0 0 0 38,-0.3 -1,-0.1 -33,-0.2 39,-0.1 0.646 39.3-104.9 -91.9 -13.3 9.8 14.9 25.9 94 104 A G S > S+ 0 0 3 -33,-0.1 4,-0.5 18,-0.0 38,-0.1 0.539 85.8 126.0 91.6 19.5 9.1 18.3 24.5 95 105 A G T 4 S+ 0 0 10 36,-0.2 40,-1.0 3,-0.1 36,-0.0 0.309 81.8 24.5 -92.6 11.5 12.6 19.4 25.8 96 106 A Y T 4 S+ 0 0 143 38,-0.1 -1,-0.1 0, 0.0 39,-0.0 0.533 111.0 61.2-132.7 -55.4 13.5 20.6 22.3 97 107 A Q T 4 0 0 33 1,-0.2 -2,-0.1 0, 0.0 -37,-0.0 0.763 360.0 360.0 -66.0 -31.3 10.5 21.5 20.2 98 108 A V < 0 0 54 -4,-0.5 -1,-0.2 11,-0.0 -3,-0.1 0.988 360.0 360.0 -73.1 360.0 9.1 24.3 22.5 99 ! 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 0.0 100 115 A T 0 0 135 0, 0.0 9,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-170.2 7.6 30.6 26.2 101 116 A K - 0 0 56 7,-0.3 7,-2.4 2,-0.1 2,-0.3 -0.509 360.0-150.3 177.2 111.4 8.9 31.3 29.7 102 117 A Q E +L 107 0D 67 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.684 25.4 152.9 -93.6 141.9 11.5 29.0 31.3 103 118 A S E > -L 106 0D 55 3,-2.1 3,-0.8 -2,-0.3 -2,-0.1 -0.919 59.8 -91.0-153.8 176.7 11.8 28.4 35.0 104 119 A E T 3 S+ 0 0 60 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.755 124.2 58.2 -66.4 -21.4 13.1 25.7 37.3 105 120 A E T 3 S- 0 0 123 1,-0.2 2,-0.3 8,-0.1 -1,-0.2 0.805 121.8 -89.4 -74.4 -29.2 9.6 24.2 37.4 106 121 A G E < -L 103 0D 5 -3,-0.8 -3,-2.1 7,-0.2 2,-0.4 -0.980 53.1 -54.9 149.9-150.5 9.4 23.8 33.5 107 122 A V E -LM 102 112D 25 5,-3.6 5,-2.6 -2,-0.3 2,-0.4 -0.986 35.5-159.6-129.4 132.2 8.4 25.8 30.5 108 123 A T 0 0 71 -7,-2.4 -7,-0.3 -2,-0.4 -2,-0.0 -0.886 360.0 360.0-110.2 152.5 5.1 27.6 29.8 109 124 A F 0 0 89 -2,-0.4 -11,-0.0 -9,-0.2 -2,-0.0 -0.914 360.0 360.0-164.3 360.0 4.0 28.5 26.3 110 ! 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 0.0 111 134 A M 0 0 75 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 143.1 2.8 24.3 30.5 112 135 A L B +M 107 0D 3 -5,-2.6 -5,-3.6 4,-0.0 3,-0.0 -0.976 360.0 158.3-143.3 127.2 5.4 21.6 30.5 113 136 A S > - 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0 0 19 1,-0.1 -1,-0.4 2,-0.1 -3,-0.1 -0.429 61.8-106.1 -82.4 161.1 27.6 22.2 14.8 213 236 A G > - 0 0 44 1,-0.1 4,-2.8 -2,-0.1 5,-0.3 -0.329 27.1-104.1 -83.2 173.8 29.4 20.7 11.9 214 237 A Q H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.918 121.3 55.0 -59.6 -40.9 30.1 17.0 11.4 215 238 A D H > S+ 0 0 137 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 112.4 42.5 -56.3 -44.2 33.7 17.4 12.5 216 239 A E H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.888 112.8 51.9 -71.8 -43.0 32.6 19.0 15.8 217 240 A M H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.946 112.1 46.8 -59.0 -45.9 29.8 16.5 16.4 218 241 A F H X S+ 0 0 19 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.915 110.1 53.8 -63.7 -38.0 32.1 13.6 15.8 219 242 A R H X S+ 0 0 103 -4,-1.9 4,-1.1 -5,-0.3 -2,-0.2 0.941 110.6 45.9 -63.9 -42.3 34.7 15.1 18.1 220 243 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.905 111.7 51.8 -67.0 -39.7 32.2 15.5 20.9 221 244 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.902 98.2 67.8 -60.7 -38.1 31.0 11.9 20.3 222 245 A D H < S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.913 117.4 22.5 -49.8 -45.7 34.6 10.6 20.5 223 246 A F H < S+ 0 0 31 -4,-1.1 4,-0.3 -3,-0.2 -1,-0.2 0.719 122.4 57.3 -94.3 -18.7 34.8 11.5 24.2 224 247 A S H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.5 0.903 98.6 53.6 -82.6 -44.4 31.1 11.6 25.1 225 248 A V G >< S+ 0 0 5 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.911 101.6 58.3 -64.9 -38.2 29.8 8.2 24.2 226 249 A P G 3 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.720 97.1 66.1 -62.5 -12.6 32.4 6.2 26.2 227 250 A M G < S+ 0 0 28 -3,-1.4 -2,-0.2 -4,-0.3 -3,-0.1 0.711 88.2 82.9 -75.5 -19.3 31.2 8.0 29.3 228 251 A L S < S- 0 0 7 -3,-1.7 6,-0.1 -4,-0.5 -35,-0.1 -0.465 101.8 -80.9 -84.8 153.4 27.8 6.3 29.1 229 252 A P > - 0 0 31 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.291 37.0-143.8 -52.8 130.2 27.1 2.9 30.4 230 253 A D T 3 S+ 0 0 82 1,-0.2 4,-0.1 -4,-0.1 -2,-0.1 0.835 93.2 58.4 -68.5 -33.6 28.3 0.4 27.9 231 254 A D T 3 S+ 0 0 98 2,-0.1 -1,-0.2 -29,-0.0 -225,-0.2 0.247 97.4 68.9 -89.2 10.9 25.5 -2.1 28.5 232 255 A K S < S- 0 0 63 -3,-0.9 -30,-0.2 -225,-0.0 -31,-0.1 -0.886 93.7 -87.3-123.5 154.9 22.6 0.2 27.7 233 256 A P - 0 0 0 0, 0.0 -30,-2.6 0, 0.0 2,-0.5 -0.349 31.1-144.0 -64.1 149.7 21.6 1.7 24.3 234 257 A H E -i 203 0B 5 -32,-0.2 20,-2.8 18,-0.2 21,-1.4 -0.976 15.4-165.5-114.2 117.5 23.1 5.0 23.1 235 258 A Y E -ij 204 255B 1 -32,-1.9 -30,-2.7 -2,-0.5 2,-0.9 -0.929 9.7-156.5-113.3 122.2 20.7 7.3 21.2 236 259 A L E > -ij 205 256B 0 19,-2.5 3,-1.1 -2,-0.5 21,-0.7 -0.802 24.8-137.8 -98.5 105.8 22.0 10.2 19.2 237 260 A M T 3 S+ 0 0 24 -32,-1.3 -29,-0.2 -2,-0.9 3,-0.1 -0.447 74.9 2.5 -73.3 131.4 19.0 12.6 19.0 238 261 A G T 3 S+ 0 0 33 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.510 91.0 161.9 80.5 7.1 18.3 14.2 15.7 239 262 A V < + 0 0 2 -3,-1.1 18,-1.0 1,-0.1 -1,-0.2 -0.912 7.8 146.9-109.3 136.1 21.0 12.6 13.6 240 263 A G + 0 0 3 -2,-0.4 -1,-0.1 16,-0.2 -2,-0.1 0.665 17.5 83.8 173.3-155.3 21.2 12.4 10.7 241 264 A K S > S- 0 0 90 1,-0.1 4,-2.1 19,-0.1 3,-0.5 -0.250 70.9-102.6 -61.1 153.5 22.6 12.3 7.2 242 265 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.885 124.6 48.1 -47.3 -43.1 23.7 8.8 6.0 243 266 A D H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.842 107.8 54.0 -74.2 -27.4 27.3 9.7 6.6 244 267 A D H > S+ 0 0 10 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.906 109.2 50.4 -65.0 -40.9 26.6 11.1 10.0 245 268 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.946 108.9 49.8 -63.6 -51.2 25.0 7.8 10.9 246 269 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.950 114.5 44.4 -57.2 -46.9 27.9 5.7 9.7 247 270 A G H X S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.865 111.2 53.2 -69.0 -30.2 30.4 7.7 11.7 248 271 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 3,-0.7 0.897 107.9 50.8 -69.5 -36.1 28.2 7.9 14.8 249 272 A V H ><5S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.925 104.8 57.8 -63.8 -38.6 28.0 4.0 14.8 250 273 A E H 3<5S+ 0 0 47 -4,-2.1 -236,-0.6 1,-0.3 -1,-0.2 0.675 108.4 48.5 -62.1 -18.2 31.7 4.0 14.5 251 274 A R T <<5S- 0 0 52 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.263 131.2 -87.7-107.5 8.8 31.7 6.0 17.8 252 275 A G T < 5S+ 0 0 3 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.562 73.4 146.0 102.1 16.3 29.2 3.8 19.7 253 276 A I < + 0 0 1 -5,-2.3 -1,-0.3 -8,-0.1 -237,-0.3 -0.630 21.1 179.9 -90.2 140.4 25.7 5.0 18.8 254 277 A D + 0 0 0 -20,-2.8 -223,-2.4 -2,-0.3 2,-0.3 0.560 62.1 44.7-109.9 -20.9 22.9 2.5 18.6 255 278 A M E -cj 31 235B 0 -21,-1.4 -19,-2.5 -225,-0.2 2,-0.3 -0.997 57.5-179.8-142.8 143.7 19.8 4.6 17.8 256 279 A F E -cj 32 236B 0 -225,-1.7 -223,-2.6 -2,-0.3 2,-0.3 -0.962 9.0-176.6-141.3 148.2 19.0 7.4 15.4 257 280 A D E +c 33 0B 18 -18,-1.0 2,-0.3 -21,-0.7 -2,-0.0 -0.985 12.7 163.0-142.9 146.7 16.2 9.6 14.4 258 281 A C - 0 0 11 -225,-0.7 -223,-0.4 -2,-0.3 4,-0.2 -0.938 35.9-150.5-158.4 138.6 16.1 12.2 11.7 259 282 A V S >>S+ 0 0 45 -2,-0.3 4,-2.4 1,-0.2 5,-0.5 0.463 79.3 97.0 -85.2 2.2 13.4 14.1 9.8 260 283 A L H >>S+ 0 0 45 1,-0.2 4,-1.9 3,-0.2 5,-0.8 0.930 78.6 49.1 -53.7 -52.8 15.8 14.3 6.8 261 284 A P H 45S+ 0 0 0 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.844 122.4 34.2 -62.2 -29.3 14.5 11.3 4.8 262 285 A T H >5S+ 0 0 4 -3,-0.4 4,-2.2 -4,-0.2 5,-0.2 0.949 124.1 40.2 -84.7 -59.5 10.9 12.5 5.1 263 286 A R H X5S+ 0 0 139 -4,-2.4 4,-1.2 1,-0.2 3,-0.3 0.965 121.4 41.3 -51.4 -61.8 11.3 16.3 5.0 264 287 A S H >4 - 0 0 3 -2,-0.3 3,-1.9 86,-0.1 20,-0.1 -0.919 48.3-108.0-139.3 163.2 21.3 7.0 -3.3 273 296 A W T 3 S+ 0 0 11 1,-0.3 19,-0.1 -2,-0.3 -2,-0.0 0.691 123.2 53.8 -66.8 -20.0 24.5 4.9 -2.7 274 297 A D T 3 S- 0 0 91 1,-0.4 -1,-0.3 84,-0.1 84,-0.1 0.131 128.7 -85.3 -91.7 15.3 26.2 7.4 -4.9 275 298 A G < - 0 0 3 -3,-1.9 -1,-0.4 2,-0.0 2,-0.1 -0.236 64.4 -41.1 100.2 173.4 25.0 10.3 -2.8 276 299 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.415 50.7-164.5 -73.8 144.4 21.9 12.4 -2.7 277 300 A I E -N 270 0E 20 -7,-2.8 -7,-2.8 -2,-0.1 2,-0.8 -0.900 19.7-132.2-118.7 155.3 20.1 13.6 -5.9 278 301 A N E > -N 269 0E 60 -2,-0.3 3,-2.2 -9,-0.2 -9,-0.2 -0.900 14.6-160.1-108.2 110.5 17.5 16.3 -6.3 279 302 A I T 3 S+ 0 0 0 -11,-2.8 5,-0.2 -2,-0.8 -1,-0.1 0.662 84.4 70.3 -64.9 -16.5 14.8 14.7 -8.5 280 303 A R T 3 S+ 0 0 109 -12,-0.2 -1,-0.3 -13,-0.2 5,-0.1 0.690 72.1 113.8 -70.1 -16.6 13.5 18.1 -9.5 281 304 A N S X S- 0 0 85 -3,-2.2 3,-2.4 -13,-0.2 4,-0.2 -0.305 76.5-125.9 -60.8 137.3 16.6 18.7 -11.6 282 305 A A G > S+ 0 0 60 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.743 102.9 75.5 -53.1 -27.0 15.8 18.9 -15.3 283 306 A R G 3 S+ 0 0 167 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.639 93.3 54.1 -63.3 -14.1 18.4 16.2 -16.0 284 307 A F G X S+ 0 0 3 -3,-2.4 3,-1.2 1,-0.2 -1,-0.3 0.471 76.0 99.2 -97.9 -1.8 15.9 13.6 -14.6 285 308 A S T < S+ 0 0 61 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.696 100.3 22.2 -60.6 -25.8 12.9 14.5 -16.9 286 309 A E T 3 S+ 0 0 168 -3,-0.3 2,-0.8 -4,-0.2 -1,-0.3 0.097 90.2 125.9-126.6 16.3 13.6 11.6 -19.3 287 310 A D < - 0 0 20 -3,-1.2 19,-2.5 1,-0.2 18,-0.3 -0.626 37.3-171.4 -81.3 111.0 15.7 9.3 -17.0 288 311 A L + 0 0 148 -2,-0.8 -1,-0.2 17,-0.2 -4,-0.0 0.548 51.7 106.1 -81.1 -5.9 14.1 5.9 -17.0 289 312 A K S S- 0 0 118 15,-0.1 16,-2.7 1,-0.1 17,-0.2 -0.360 77.7-104.3 -69.1 154.9 16.3 4.5 -14.2 290 313 A P - 0 0 40 0, 0.0 14,-0.1 0, 0.0 10,-0.1 -0.244 41.7 -95.6 -67.3 165.3 15.0 4.0 -10.6 291 314 A L S S+ 0 0 0 12,-0.3 2,-0.4 1,-0.2 -21,-0.1 0.890 113.6 17.7 -49.8 -45.5 16.0 6.5 -7.9 292 315 A D S S- 0 0 2 3,-0.1 -1,-0.2 -20,-0.1 -20,-0.1 -0.991 74.6-136.3-134.3 137.6 18.9 4.2 -6.9 293 316 A S S S+ 0 0 89 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.638 102.0 29.7 -71.1 -16.4 20.3 1.4 -8.9 294 317 A E S S+ 0 0 82 -4,-0.0 -1,-0.2 0, 0.0 -22,-0.0 0.647 84.9 123.6-113.5 -22.9 20.5 -1.2 -6.1 295 318 A C - 0 0 13 1,-0.1 -3,-0.1 -5,-0.0 35,-0.1 -0.137 46.7-156.4 -49.5 134.2 17.7 -0.2 -3.8 296 319 A H + 0 0 164 33,-0.1 -1,-0.1 4,-0.0 5,-0.1 0.286 50.5 125.7 -91.8 2.6 15.2 -3.0 -3.2 297 320 A C S > S- 0 0 10 1,-0.1 4,-1.4 29,-0.1 3,-0.2 -0.220 72.9-115.6 -70.3 159.6 12.3 -0.7 -2.3 298 321 A A H > S+ 0 0 40 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.791 113.7 59.7 -66.7 -27.3 9.0 -1.0 -4.0 299 322 A V H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.913 107.6 43.9 -66.5 -43.2 9.4 2.5 -5.5 300 323 A C H 4 S+ 0 0 16 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.735 110.8 56.1 -78.7 -20.3 12.6 1.5 -7.3 301 324 A Q H < S+ 0 0 84 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.816 122.6 23.5 -70.8 -31.9 11.0 -1.7 -8.5 302 325 A K H < S+ 0 0 147 -4,-1.2 2,-0.3 -3,-0.3 -2,-0.2 0.732 112.3 47.9-114.4 -31.0 8.1 0.1 -10.1 303 326 A W < - 0 0 86 -4,-2.5 -12,-0.3 -5,-0.2 2,-0.2 -0.890 62.6-127.7-131.2 152.1 8.7 3.8 -11.1 304 327 A S > - 0 0 21 -2,-0.3 4,-2.1 -14,-0.1 5,-0.2 -0.450 26.7-115.4 -90.5 158.4 11.3 5.9 -12.9 305 328 A R H > S+ 0 0 27 -16,-2.7 4,-3.1 -18,-0.3 5,-0.2 0.916 116.8 58.8 -49.6 -44.8 13.2 9.0 -12.0 306 329 A A H > S+ 0 0 16 -19,-2.5 4,-2.1 -17,-0.2 -1,-0.2 0.908 107.2 45.2 -58.4 -42.0 11.3 10.7 -14.9 307 330 A Y H > S+ 0 0 85 -20,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.943 114.5 46.1 -68.9 -44.1 7.9 9.9 -13.4 308 331 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.908 111.2 54.5 -67.5 -37.6 8.9 11.0 -9.8 309 332 A H H X S+ 0 0 14 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.952 109.4 48.0 -51.4 -51.9 10.5 14.1 -11.3 310 333 A H H X S+ 0 0 107 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.930 112.2 48.8 -57.8 -48.5 7.2 14.8 -13.0 311 334 A L H <>S+ 0 0 7 -4,-2.7 5,-2.6 2,-0.2 4,-0.4 0.928 112.8 45.7 -62.1 -43.8 5.1 14.3 -9.9 312 335 A I H ><5S+ 0 0 13 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.952 112.9 50.6 -69.0 -42.8 7.3 16.5 -7.6 313 336 A R H 3<5S+ 0 0 131 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.848 111.5 49.4 -57.8 -35.6 7.4 19.2 -10.2 314 337 A A T 3<5S- 0 0 58 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.432 112.1-119.4 -82.7 -3.6 3.6 19.0 -10.4 315 338 A G T < 5 + 0 0 69 -3,-1.5 2,-0.2 -4,-0.4 -3,-0.2 0.761 53.6 167.8 70.4 25.0 3.1 19.2 -6.7 316 339 A E >>< - 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