==== 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 21-FEB-09 3GC4 . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR T.RITSCHEL,A.HEINE,G.KLEBE . 354 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 6.5 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 0.8 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 . 29 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.1 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 1 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 3 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 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 0 173 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 155.6 8.8 -10.4 25.9 2 12 A P - 0 0 52 0, 0.0 3,-0.2 0, 0.0 166,-0.0 -0.372 360.0-107.6 -73.3 164.3 10.2 -8.5 28.9 3 13 A R S S- 0 0 71 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.923 102.6 -11.1 -51.7 -48.3 9.4 -4.8 29.6 4 14 A F E +A 22 0A 27 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.894 66.3 161.9-160.7 126.6 13.0 -4.0 28.4 5 15 A S E -A 21 0A 43 16,-1.6 16,-2.9 -2,-0.3 2,-0.6 -0.916 15.6-163.5-145.6 121.3 16.1 -6.1 27.6 6 16 A F E -A 20 0A 29 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.945 11.7-175.4-107.4 122.2 19.1 -4.9 25.6 7 17 A S E -A 19 0A 45 12,-2.7 12,-2.2 -2,-0.6 2,-0.7 -0.975 16.0-148.6-116.0 126.3 21.4 -7.7 24.3 8 18 A I E +A 18 0A 54 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.851 17.0 177.2 -96.8 118.5 24.6 -7.0 22.5 9 19 A A E + 0 0 84 8,-2.0 2,-0.3 -2,-0.7 9,-0.2 0.746 62.7 3.5 -92.0 -26.3 25.3 -9.8 19.9 10 20 A A E -A 17 0A 23 7,-2.0 7,-2.5 2,-0.0 2,-0.3 -0.988 58.2-161.2-160.1 155.7 28.5 -8.5 18.3 11 21 A R E -A 16 0A 112 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.967 11.2-177.7-139.7 154.3 31.0 -5.7 18.5 12 22 A E E > S-A 15 0A 40 3,-2.0 3,-2.0 -2,-0.3 2,-0.2 -0.858 73.2 -46.3-152.2 107.9 33.7 -4.1 16.3 13 23 A G T 3 S- 0 0 75 -2,-0.3 234,-0.1 1,-0.3 -1,-0.1 -0.470 124.9 -22.2 61.0-130.5 35.7 -1.3 18.0 14 24 A K T 3 S+ 0 0 87 232,-0.6 -1,-0.3 -2,-0.2 2,-0.2 0.543 118.1 107.5 -82.8 -11.0 33.1 1.0 19.7 15 25 A A E < -A 12 0A 0 -3,-2.0 -3,-2.0 231,-0.2 2,-0.3 -0.445 48.7-173.9 -76.2 143.1 30.4 -0.3 17.3 16 26 A R E -A 11 0A 2 233,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.981 13.9-167.5-137.3 147.6 27.7 -2.7 18.6 17 27 A T E +A 10 0A 6 -7,-2.5 -7,-2.0 -2,-0.3 -8,-2.0 -0.998 35.0 104.5-134.0 139.4 24.9 -4.7 17.1 18 28 A G E -AB 8 29A 7 11,-1.8 11,-3.1 -2,-0.4 2,-0.3 -0.862 54.5 -78.1-176.4-151.0 22.2 -6.3 19.1 19 29 A T E -AB 7 28A 47 -12,-2.2 -12,-2.7 -2,-0.2 2,-0.5 -0.996 12.4-147.2-144.9 144.1 18.5 -6.2 20.0 20 30 A I E -AB 6 27A 0 7,-2.6 7,-3.2 -2,-0.3 2,-0.5 -0.980 21.8-156.4-107.0 117.7 16.2 -4.4 22.4 21 31 A E E +AB 5 26A 62 -16,-2.9 -16,-1.6 -2,-0.5 2,-0.3 -0.867 22.1 161.9 -95.5 130.3 13.3 -6.6 23.5 22 32 A M E > -AB 4 25A 1 3,-1.7 3,-1.2 -2,-0.5 -19,-0.2 -0.866 53.7 -97.3-137.8 168.0 10.1 -4.8 24.6 23 33 A K T 3 S+ 0 0 88 -20,-0.5 3,-0.1 145,-0.3 -20,-0.1 0.889 122.0 49.0 -59.9 -38.0 6.5 -5.9 25.1 24 34 A R T 3 S- 0 0 103 1,-0.2 2,-0.3 -21,-0.2 -1,-0.2 0.454 125.3 -63.8 -79.2 -7.4 5.5 -4.5 21.7 25 35 A G E < -B 22 0A 0 -3,-1.2 -3,-1.7 62,-0.2 2,-0.4 -0.880 58.1 -60.2 149.1 176.3 8.3 -6.1 19.8 26 36 A V E -B 21 0A 52 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.810 34.8-153.8 -99.7 139.6 12.0 -6.4 19.1 27 37 A I E -B 20 0A 0 -7,-3.2 -7,-2.6 -2,-0.4 2,-0.4 -0.952 10.3-144.0-114.5 117.6 14.2 -3.6 18.0 28 38 A R E -B 19 0A 78 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.652 32.5-109.2 -79.9 133.8 17.4 -4.4 16.0 29 39 A T E S+B 18 0A 0 -11,-3.1 -11,-1.8 -2,-0.4 2,-0.2 -0.913 99.0 47.7-120.0 148.5 20.2 -2.1 16.7 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 221,-0.2 0.474 93.2-173.2 -59.8 134.7 21.8 0.1 15.4 31 41 A A E -c 251 0B 3 219,-2.2 221,-1.6 -2,-0.2 2,-0.5 -0.902 27.5-152.3-114.0 140.0 18.3 1.3 14.7 32 42 A F E -c 252 0B 2 -2,-0.4 24,-0.3 219,-0.2 23,-0.3 -0.963 14.8-157.3-108.9 125.4 16.8 4.1 12.7 33 43 A M E -c 253 0B 0 219,-2.8 221,-0.8 -2,-0.5 24,-0.2 -0.899 12.4-136.7-104.7 110.4 13.5 5.5 13.9 34 44 A P E -c 254 0B 0 0, 0.0 24,-2.9 0, 0.0 2,-0.4 -0.417 27.0-117.1 -60.6 143.8 11.3 7.3 11.4 35 45 A V B +d 58 0B 10 219,-0.6 7,-0.5 22,-0.2 24,-0.2 -0.698 31.8 177.0 -90.1 134.2 9.7 10.4 12.8 36 46 A G > + 0 0 3 22,-3.0 3,-1.2 -2,-0.4 24,-0.3 -0.534 7.7 167.0-135.3 68.7 5.9 10.8 13.1 37 47 A T T 3 S+ 0 0 27 1,-0.3 23,-0.4 22,-0.2 2,-0.2 0.828 78.0 38.9 -47.3 -55.2 5.3 14.2 14.8 38 48 A A T 3 S- 0 0 53 2,-0.5 -1,-0.3 21,-0.1 3,-0.1 -0.196 130.6 -83.6 -95.7 41.0 1.5 14.5 14.1 39 49 A A S < S+ 0 0 13 -3,-1.2 2,-0.3 -2,-0.2 -2,-0.2 0.779 110.9 83.7 60.1 34.7 0.7 10.8 14.8 40 50 A T S S- 0 0 59 -4,-0.0 2,-0.8 5,-0.0 -2,-0.5 -0.923 80.5-127.5-158.7 139.0 1.7 9.9 11.2 41 51 A V > - 0 0 4 3,-0.5 3,-2.2 -2,-0.3 -5,-0.2 -0.868 62.5 -97.2 -83.2 112.7 5.0 9.3 9.5 42 52 A K T 3 S- 0 0 78 -2,-0.8 -1,-0.1 -7,-0.5 3,-0.1 -0.032 95.9 -4.4 -57.8 130.5 4.3 11.8 6.8 43 53 A A T 3 S+ 0 0 41 1,-0.2 2,-0.4 277,-0.0 -1,-0.3 0.515 112.2 100.7 72.3 15.2 2.9 10.4 3.6 44 54 A L < - 0 0 16 -3,-2.2 -3,-0.5 276,-0.1 -1,-0.2 -0.977 65.9-134.0-131.7 137.1 3.1 6.8 4.7 45 55 A K >> - 0 0 134 -2,-0.4 4,-2.1 1,-0.1 3,-0.9 -0.581 34.7-114.9 -72.6 149.5 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 0.837 117.0 58.7 -54.9 -35.3 2.1 2.3 9.0 47 57 A E H 3> S+ 0 0 135 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.883 107.0 48.5 -64.9 -31.4 2.2 -0.9 7.1 48 58 A T H <> S+ 0 0 31 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.893 108.7 52.5 -71.4 -43.1 4.4 0.8 4.6 49 59 A V H <>S+ 0 0 2 -4,-2.1 5,-1.5 1,-0.2 4,-0.4 0.947 113.7 44.6 -54.2 -44.7 6.7 2.1 7.4 50 60 A R H ><5S+ 0 0 82 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.927 107.6 58.1 -69.9 -42.6 6.9 -1.5 8.6 51 61 A A H 3<5S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.834 99.2 58.8 -57.0 -34.5 7.5 -2.9 5.2 52 62 A T T 3<5S- 0 0 19 -4,-1.9 -1,-0.3 -3,-0.1 -2,-0.2 0.654 127.4 -98.7 -71.0 -12.8 10.5 -0.7 4.8 53 63 A G T < 5 + 0 0 17 -3,-2.1 -3,-0.2 -4,-0.4 -2,-0.1 0.301 68.0 152.2 112.2 -3.8 12.0 -2.4 7.8 54 64 A A < - 0 0 0 -5,-1.5 -1,-0.3 1,-0.2 3,-0.1 -0.343 21.7-176.0 -60.4 138.8 11.3 -0.0 10.7 55 65 A D S S+ 0 0 8 -23,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.567 72.7 14.8-101.2 -21.2 11.0 -1.7 14.1 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.991 65.5-155.9-156.7 146.7 10.2 1.4 16.0 57 67 A I E - e 0 89B 3 31,-1.3 33,-2.5 -2,-0.3 2,-0.4 -0.850 20.2-115.9-124.9 165.2 9.0 5.0 15.2 58 68 A L E -de 35 90B 4 -24,-2.9 -22,-3.0 -2,-0.3 2,-0.2 -0.902 25.7-177.3-109.9 137.5 9.2 8.3 17.0 59 69 A G E - e 0 91B 2 31,-3.0 33,-2.3 -2,-0.4 2,-0.4 -0.669 20.5-123.2-119.3 173.0 6.4 10.4 18.3 60 70 A N E > - e 0 92B 19 -23,-0.4 4,-1.5 -24,-0.3 5,-0.2 -0.966 11.0-158.7-132.3 127.1 6.4 13.8 20.0 61 71 A T H > S+ 0 0 0 31,-1.5 4,-2.1 -2,-0.4 5,-0.2 0.944 96.1 49.3 -62.9 -46.1 5.1 15.1 23.3 62 72 A Y H > S+ 0 0 94 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.959 114.0 41.0 -62.8 -53.3 5.0 18.8 22.2 63 73 A H H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.937 117.8 45.7 -66.0 -43.0 3.1 18.4 18.9 64 74 A L H <>S+ 0 0 0 -4,-1.5 5,-2.5 1,-0.2 -1,-0.2 0.862 106.1 58.7 -72.9 -30.7 0.6 15.8 20.1 65 75 A M H <5S+ 0 0 34 -4,-2.1 5,-0.4 -5,-0.2 -1,-0.2 0.881 113.1 41.5 -63.8 -33.1 -0.2 17.7 23.3 66 76 A L H <5S+ 0 0 101 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.901 119.1 48.8 -78.6 -47.2 -1.2 20.6 21.1 67 77 A R T <5S- 0 0 63 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.918 130.6 -8.4-150.4 128.7 -3.0 18.5 18.5 68 78 A P T 5S- 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.988 105.2-112.7 -89.0 4.7 -5.0 16.5 18.9 69 79 A G >< - 0 0 15 -5,-2.5 4,-2.1 -6,-0.2 -4,-0.2 0.069 10.3-116.2 111.2 136.3 -4.4 16.5 22.7 70 80 A A H > S+ 0 0 1 -5,-0.4 4,-2.8 2,-0.2 5,-0.2 0.930 115.1 48.9 -72.8 -45.8 -2.9 13.9 25.0 71 81 A E H > S+ 0 0 82 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.946 111.0 52.9 -56.0 -44.6 -6.0 13.3 27.0 72 82 A R H > S+ 0 0 159 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.956 108.9 48.0 -58.6 -46.1 -8.0 12.9 23.8 73 83 A I H <>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 4,-0.3 0.950 111.0 51.0 -63.6 -40.1 -5.6 10.3 22.4 74 84 A A H ><5S+ 0 0 36 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.939 108.1 52.4 -58.7 -42.5 -5.7 8.4 25.7 75 85 A K H 3<5S+ 0 0 189 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.847 106.8 55.0 -58.9 -32.6 -9.5 8.5 25.5 76 86 A L T 3<5S- 0 0 93 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.429 133.3 -88.6 -81.9 -1.7 -9.3 7.1 22.0 77 87 A G T < 5S- 0 0 55 -3,-1.7 4,-0.4 -4,-0.3 -3,-0.2 0.491 73.7 -69.8 109.6 3.5 -7.2 4.1 23.2 78 88 A G >< - 0 0 11 -5,-2.9 4,-2.5 -6,-0.2 43,-0.2 -0.142 59.8 -69.4 99.4 165.5 -3.7 5.5 23.0 79 89 A L H > S+ 0 0 1 41,-2.8 4,-2.6 1,-0.2 5,-0.4 0.881 125.2 57.9 -64.8 -36.0 -1.3 6.4 20.2 80 90 A H H >>S+ 0 0 8 40,-0.5 5,-1.3 1,-0.2 4,-1.3 0.951 114.0 37.6 -61.8 -48.2 -0.7 2.9 19.0 81 91 A S H 45S+ 0 0 87 -4,-0.4 -1,-0.2 3,-0.2 -2,-0.2 0.926 114.2 57.2 -64.6 -46.4 -4.4 2.3 18.3 82 92 A F H <5S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.935 119.7 26.1 -50.3 -55.7 -5.0 5.9 17.1 83 93 A M H <5S- 0 0 30 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.535 108.3-114.1 -97.9 -4.0 -2.5 5.8 14.2 84 94 A G T <5S+ 0 0 50 -4,-1.3 2,-0.5 -5,-0.4 -3,-0.2 0.809 70.7 130.0 82.9 27.8 -2.4 2.1 13.6 85 95 A W < + 0 0 9 -5,-1.3 -1,-0.2 -6,-0.4 -2,-0.2 -0.966 28.5 179.0-115.0 115.1 1.1 1.2 14.6 86 96 A D + 0 0 109 -2,-0.5 -1,-0.1 -3,-0.1 3,-0.1 0.440 55.5 82.9 -98.7 2.1 1.3 -1.7 17.0 87 97 A R S S- 0 0 65 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.248 96.2 -53.4 -94.1 176.7 5.1 -1.9 17.5 88 98 A P - 0 0 0 0, 0.0 -31,-1.3 0, 0.0 2,-0.4 -0.254 49.3-161.5 -54.8 146.8 7.2 0.2 19.9 89 99 A I E -e 57 0B 0 -33,-0.2 34,-2.1 32,-0.2 35,-2.0 -0.999 4.6-156.5-125.4 130.5 7.0 4.0 19.9 90 100 A L E -ef 58 124B 0 -33,-2.5 -31,-3.0 -2,-0.4 2,-0.5 -0.887 12.9-158.1 -98.4 135.7 9.6 6.3 21.4 91 101 A T E -ef 59 125B 0 33,-2.5 35,-1.1 -2,-0.4 -31,-0.3 -0.968 11.7-134.8-116.4 131.2 8.3 9.7 22.3 92 102 A D E -e 60 0B 18 -33,-2.3 -31,-1.5 -2,-0.5 -30,-0.1 -0.404 21.7-126.9 -73.6 162.4 10.6 12.8 22.7 93 103 A S - 0 0 0 34,-0.3 -1,-0.1 -33,-0.1 23,-0.1 0.547 40.3-103.2 -94.5 -7.4 9.7 14.8 25.9 94 104 A G S S+ 0 0 18 -33,-0.1 34,-0.1 34,-0.0 -2,-0.0 0.360 88.2 122.6 95.8 5.0 9.2 18.2 24.3 95 105 A G 0 0 16 32,-0.2 36,-1.4 1,-0.1 33,-0.1 0.651 360.0 360.0 -69.4 -19.6 12.7 19.4 25.6 96 106 A Y 0 0 195 34,-0.1 -1,-0.1 107,-0.0 35,-0.0 0.824 360.0 360.0-105.4 360.0 13.6 20.2 22.0 97 ! 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 98 117 A Q 0 0 179 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 115.1 11.4 29.1 31.4 99 118 A S B > -K 102 0C 58 3,-2.6 3,-0.6 0, 0.0 0, 0.0 -0.870 360.0 -94.6-139.1 176.9 11.7 28.4 35.1 100 119 A E T 3 S+ 0 0 62 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.764 123.6 58.4 -64.5 -22.6 13.0 25.6 37.3 101 120 A E T 3 S- 0 0 58 1,-0.2 2,-0.3 8,-0.1 -1,-0.2 0.845 120.5 -89.1 -73.8 -37.0 9.5 24.2 37.4 102 121 A G B < -K 99 0C 4 -3,-0.6 -3,-2.6 7,-0.2 2,-0.4 -0.981 52.2 -49.1 160.4-148.2 9.2 23.8 33.6 103 122 A V B -L 108 0D 44 5,-4.4 5,-3.3 -2,-0.3 2,-0.4 -0.986 34.6-160.2-131.2 128.3 8.2 25.7 30.4 104 123 A T 0 0 114 -2,-0.4 -2,-0.0 3,-0.3 5,-0.0 -0.893 360.0 360.0-108.4 140.2 5.1 27.7 29.7 105 124 A F 0 0 111 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.935 360.0 360.0-158.3 360.0 4.0 28.5 26.1 106 ! 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 0.0 107 134 A M 0 0 72 0, 0.0 2,-0.4 0, 0.0 -3,-0.3 0.000 360.0 360.0 360.0 124.8 3.0 24.4 30.2 108 135 A L B +L 103 0D 8 -5,-3.3 -5,-4.4 4,-0.0 3,-0.0 -0.982 360.0 159.6-138.6 128.0 5.5 21.6 30.3 109 136 A S > - 0 0 26 -2,-0.4 4,-2.6 -7,-0.3 5,-0.3 -0.815 57.0 -93.8-130.1 168.4 7.4 20.3 33.4 110 137 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.928 126.1 48.8 -49.5 -46.9 9.1 16.9 33.9 111 138 A E H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.914 113.5 43.9 -64.9 -42.7 6.0 15.6 35.6 112 139 A R H > S+ 0 0 60 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.904 113.1 53.0 -69.5 -40.4 3.6 16.8 32.9 113 140 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.943 111.0 45.1 -55.9 -52.4 5.9 15.5 30.1 114 141 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.910 113.6 52.4 -63.0 -37.0 6.1 12.1 31.6 115 142 A E H X S+ 0 0 70 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.921 107.8 49.7 -65.8 -42.1 2.3 12.2 32.1 116 143 A I H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.938 109.5 51.7 -62.0 -41.3 1.7 13.1 28.5 117 144 A Q H X>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 4,-1.1 0.902 110.3 50.2 -64.6 -36.0 4.0 10.2 27.3 118 145 A H H ><5S+ 0 0 65 -4,-2.0 3,-0.8 -5,-0.2 -1,-0.2 0.956 108.7 51.2 -60.6 -49.2 2.0 7.9 29.6 119 146 A L H 3<5S+ 0 0 34 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.877 110.6 49.3 -59.1 -40.3 -1.3 9.2 28.1 120 147 A L H 3<5S- 0 0 0 -4,-2.7 -41,-2.8 -5,-0.2 -40,-0.5 0.756 111.7-124.9 -69.0 -23.1 0.0 8.5 24.6 121 148 A G T <<5 - 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0 0 73 -4,-3.0 -12,-0.4 -5,-0.2 2,-0.2 -0.802 61.2-131.1-117.3 148.4 8.9 3.7 -11.0 300 327 A S > - 0 0 23 -2,-0.3 4,-2.2 -14,-0.2 5,-0.2 -0.470 24.4-118.4 -86.9 156.9 11.3 5.7 -12.9 301 328 A R H > S+ 0 0 31 -16,-2.4 4,-3.0 -18,-0.4 5,-0.2 0.896 116.0 59.4 -51.0 -41.5 13.2 8.8 -11.9 302 329 A A H > S+ 0 0 16 -19,-2.0 4,-2.2 -17,-0.2 -1,-0.2 0.893 105.8 44.9 -58.3 -48.4 11.4 10.5 -14.8 303 330 A Y H > S+ 0 0 85 -20,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 115.4 46.9 -62.0 -45.5 7.9 9.8 -13.4 304 331 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.889 109.3 55.1 -70.9 -33.2 8.9 10.8 -9.9 305 332 A H H X S+ 0 0 15 -4,-3.0 4,-2.4 -25,-0.2 -1,-0.2 0.934 109.9 47.1 -55.4 -49.5 10.5 13.9 -11.3 306 333 A H H X S+ 0 0 106 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.921 111.3 50.7 -58.3 -48.6 7.2 14.8 -12.9 307 334 A L H <>S+ 0 0 6 -4,-2.6 5,-2.4 2,-0.2 4,-0.4 0.909 112.7 45.2 -58.3 -46.6 5.2 14.1 -9.8 308 335 A I H ><5S+ 0 0 13 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.931 113.3 49.6 -69.8 -40.3 7.3 16.3 -7.6 309 336 A R H 3<5S+ 0 0 136 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.878 110.9 50.8 -60.8 -35.0 7.4 19.1 -10.1 310 337 A A T 3<5S- 0 0 54 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.475 112.0-119.9 -81.0 -2.6 3.7 18.9 -10.4 311 338 A G T < 5 + 0 0 67 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.721 54.4 165.3 68.1 23.0 3.2 19.0 -6.7 312 339 A E >>< - 0 0 105 -5,-2.4 3,-1.1 -6,-0.2 4,-1.1 -0.486 43.0-135.7 -77.3 136.5 1.4 15.6 -6.7 313 340 A I H 3> S+ 0 0 127 1,-0.3 4,-2.2 -2,-0.2 3,-0.2 0.866 104.4 63.1 -56.2 -38.4 0.9 13.8 -3.4 314 341 A L H 3> S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.842 97.0 60.1 -58.3 -29.6 2.1 10.5 -5.0 315 342 A G H <> S+ 0 0 0 -3,-1.1 4,-2.5 -8,-0.2 5,-0.3 0.950 107.1 44.0 -61.3 -47.6 5.4 12.2 -5.5 316 343 A A H X S+ 0 0 17 -4,-1.1 4,-2.4 -3,-0.2 5,-0.2 0.889 113.9 52.7 -60.9 -41.2 5.8 12.7 -1.7 317 344 A M H X S+ 0 0 75 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.952 113.4 40.3 -62.9 -51.9 4.6 9.2 -1.1 318 345 A L H X S+ 0 0 6 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.908 116.2 49.4 -67.1 -42.6 7.1 7.5 -3.4 319 346 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.923 114.0 47.0 -61.7 -40.7 10.0 9.8 -2.4 320 347 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 5,-0.3 0.921 110.9 49.7 -69.9 -41.9 9.3 9.2 1.3 321 348 A E H X S+ 0 0 40 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.940 113.4 48.4 -60.8 -45.8 8.9 5.4 1.0 322 349 A H H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.938 111.7 47.5 -59.1 -49.4 12.1 5.3 -0.9 323 350 A N H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.909 113.6 46.7 -65.9 -41.1 14.1 7.4 1.5 324 351 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.900 113.2 49.8 -65.5 -38.4 13.0 5.6 4.6 325 352 A A H X S+ 0 0 5 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.909 109.1 53.0 -62.2 -42.2 13.7 2.2 2.9 326 353 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.918 109.0 48.5 -56.5 -50.7 17.1 3.5 2.0 327 354 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.881 111.5 49.9 -58.5 -40.7 17.8 4.4 5.7 328 355 A Q H X S+ 0 0 9 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.907 109.7 50.7 -69.1 -36.3 16.6 1.0 6.8 329 356 A Q H X S+ 0 0 41 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.881 108.3 53.5 -64.1 -37.0 18.8 -0.7 4.3 330 357 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.944 109.8 47.3 -61.2 -45.9 21.7 1.4 5.5 331 358 A M H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.886 110.6 52.3 -68.7 -34.0 21.0 0.2 9.1 332 359 A Q H X S+ 0 0 61 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.907 109.6 48.2 -65.0 -42.8 20.8 -3.4 7.9 333 360 A K H X S+ 0 0 93 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.855 112.2 51.0 -67.3 -32.3 24.1 -3.2 6.2 334 361 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.950 112.0 45.9 -66.0 -49.9 25.6 -1.6 9.3 335 362 A R H X S+ 0 0 11 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.922 114.3 48.1 -57.4 -46.2 24.2 -4.4 11.5 336 363 A D H X S+ 0 0 63 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.902 111.4 48.8 -64.0 -42.3 25.3 -7.1 9.2 337 364 A S H <>S+ 0 0 0 -4,-2.0 5,-2.9 -5,-0.2 6,-0.7 0.891 111.4 49.4 -72.4 -35.3 28.9 -5.8 8.8 338 365 A I H ><5S+ 0 0 1 -4,-2.3 3,-1.4 4,-0.2 -1,-0.2 0.947 110.4 50.8 -65.1 -44.1 29.3 -5.4 12.5 339 366 A S H 3<5S+ 0 0 68 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.830 115.7 43.1 -62.1 -28.8 28.1 -8.9 13.1 340 367 A E T 3<5S- 0 0 126 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.357 113.5-118.7 -95.2 2.1 30.6 -10.1 10.5 341 368 A G T < 5S+ 0 0 48 -3,-1.4 -3,-0.2 -4,-0.4 -4,-0.1 0.803 87.8 105.0 63.7 30.5 33.4 -7.9 11.8 342 369 A R >< + 0 0 109 -5,-2.9 4,-2.6 -6,-0.2 -4,-0.2 0.001 35.3 115.1-125.3 28.2 33.8 -5.9 8.6 343 370 A F H > S+ 0 0 2 -6,-0.7 4,-3.4 2,-0.2 5,-0.2 0.902 74.0 54.6 -67.8 -39.3 32.1 -2.7 9.6 344 371 A S H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 111.5 45.7 -61.5 -41.2 35.2 -0.6 9.3 345 372 A Q H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.935 112.8 50.4 -65.1 -46.7 35.7 -1.8 5.8 346 373 A F H X S+ 0 0 24 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.906 108.6 53.2 -52.6 -44.9 31.9 -1.1 5.1 347 374 A A H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.941 111.8 44.8 -61.6 -44.1 32.3 2.4 6.5 348 375 A Q H X S+ 0 0 49 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.911 114.8 47.2 -61.1 -46.8 35.2 3.2 4.2 349 376 A D H X S+ 0 0 89 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.898 111.2 52.8 -60.6 -46.1 33.5 1.7 1.1 350 377 A F H X S+ 0 0 9 -4,-2.9 4,-3.2 -5,-0.2 5,-0.3 0.937 112.2 44.3 -54.7 -52.6 30.3 3.5 1.9 351 378 A R H X S+ 0 0 69 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.886 108.7 55.2 -62.8 -44.2 32.0 6.9 2.1 352 379 A A H < S+ 0 0 70 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.937 118.7 34.9 -56.1 -46.2 34.2 6.5 -0.9 353 380 A R H >< S+ 0 0 109 -4,-2.1 3,-0.6 2,-0.2 -2,-0.2 0.897 115.0 53.9 -80.2 -40.9 31.1 5.8 -3.1 354 381 A Y H 3< S+ 0 0 16 -4,-3.2 -3,-0.2 -5,-0.3 -1,-0.2 0.887 118.5 37.4 -59.7 -38.8 28.7 8.1 -1.3 355 382 A F T 3< 0 0 119 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.486 360.0 360.0 -96.7 3.6 31.1 11.0 -1.8 356 383 A A < 0 0 105 -3,-0.6 -4,-0.0 -4,-0.3 -3,-0.0 -0.665 360.0 360.0 -71.0 360.0 32.4 10.0 -5.2