==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-MAY-11 3S1G . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR G.KLEBE,F.IMMEKUS,A.HEINE . 358 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 69.3 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 . 23 6.4 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 . 5 1.4 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 . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 36.3 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 3 3 1 0 2 0 1 2 0 1 0 0 0 0 0 0 0 0 0 1 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 . 1 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 0 171 0, 0.0 22,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 146.5 8.6 -10.3 26.0 2 12 A P - 0 0 62 0, 0.0 3,-0.2 0, 0.0 171,-0.0 -0.329 360.0-110.4 -72.5 164.4 10.2 -8.3 28.9 3 13 A R S S- 0 0 69 1,-0.3 20,-0.4 19,-0.2 2,-0.3 0.903 100.4 -8.9 -54.7 -45.0 9.5 -4.7 29.5 4 14 A F + 0 0 28 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.860 66.3 162.8-163.7 122.8 13.0 -3.9 28.4 5 15 A S E -A 21 0A 54 16,-1.6 16,-3.3 -2,-0.3 2,-0.5 -0.950 12.5-168.9-142.6 123.7 16.0 -5.9 27.5 6 16 A F E +A 20 0A 27 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.959 11.8 178.8-112.0 121.5 19.0 -4.8 25.6 7 17 A S E -A 19 0A 56 12,-2.9 12,-2.3 -2,-0.5 2,-0.6 -0.984 20.6-143.1-127.7 129.8 21.5 -7.4 24.5 8 18 A I E +A 18 0A 53 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.791 17.3 178.5 -92.1 120.4 24.6 -6.9 22.5 9 19 A A E + 0 0 83 8,-2.1 2,-0.3 -2,-0.6 9,-0.2 0.761 64.9 5.4 -91.2 -30.5 25.3 -9.7 20.0 10 20 A A E -A 17 0A 23 7,-1.9 7,-2.4 2,-0.0 2,-0.3 -0.992 58.5-161.3-157.1 154.5 28.5 -8.4 18.3 11 21 A R E -A 16 0A 110 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.958 11.2-177.6-137.6 151.6 31.1 -5.6 18.6 12 22 A E E > S-A 15 0A 46 3,-2.2 3,-2.1 -2,-0.3 2,-0.2 -0.850 73.1 -49.7-148.2 106.9 33.7 -4.0 16.4 13 23 A G T 3 S- 0 0 74 -2,-0.3 239,-0.1 1,-0.3 238,-0.1 -0.512 124.2 -19.8 64.0-129.4 35.7 -1.3 18.2 14 24 A K T 3 S+ 0 0 84 237,-0.6 -1,-0.3 -2,-0.2 2,-0.1 0.562 118.3 104.5 -80.7 -17.1 33.1 1.1 19.8 15 25 A A E < -A 12 0A 1 -3,-2.1 -3,-2.2 236,-0.2 2,-0.3 -0.459 49.5-175.3 -77.2 145.3 30.4 -0.2 17.5 16 26 A R E -A 11 0A 3 -5,-0.2 2,-0.3 238,-0.2 -5,-0.2 -0.963 13.8-166.4-136.7 147.3 27.8 -2.6 18.7 17 27 A T E +A 10 0A 8 -7,-2.4 -8,-2.1 -2,-0.3 -7,-1.9 -0.996 35.8 107.5-135.4 142.2 24.9 -4.5 17.2 18 28 A G E -AB 8 29A 7 11,-1.8 11,-2.9 -2,-0.3 2,-0.3 -0.875 53.8 -77.6-178.3-154.1 22.1 -6.2 19.1 19 29 A T E -AB 7 28A 50 -12,-2.3 -12,-2.9 -2,-0.3 2,-0.5 -0.991 11.2-149.4-142.0 146.9 18.5 -6.1 20.1 20 30 A I E -AB 6 27A 0 7,-2.2 7,-3.0 -2,-0.3 2,-0.5 -0.984 22.3-157.0-107.6 119.5 16.1 -4.2 22.4 21 31 A E E +AB 5 26A 17 -16,-3.3 -16,-1.6 -2,-0.5 2,-0.3 -0.893 20.7 164.8-100.5 130.2 13.2 -6.5 23.4 22 32 A M E > - B 0 25A 0 3,-1.9 3,-1.3 -2,-0.5 -19,-0.2 -0.850 51.7 -99.1-135.8 166.8 10.1 -4.7 24.6 23 33 A K T 3 S+ 0 0 85 -20,-0.4 -20,-0.1 150,-0.3 3,-0.1 0.896 122.3 47.7 -59.7 -37.6 6.5 -5.9 25.0 24 34 A R T 3 S- 0 0 103 1,-0.2 2,-0.3 -21,-0.2 -1,-0.3 0.477 125.9 -61.1 -84.9 -2.7 5.4 -4.4 21.7 25 35 A G E < -B 22 0A 1 -3,-1.3 -3,-1.9 62,-0.2 2,-0.4 -0.874 58.0 -62.0 147.7 177.5 8.3 -5.9 19.7 26 36 A V E -B 21 0A 56 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.796 34.0-153.2-103.9 140.1 12.0 -6.3 19.0 27 37 A I E -B 20 0A 0 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.4 -0.945 10.1-143.3-117.4 116.9 14.3 -3.5 18.0 28 38 A R E -B 19 0A 80 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.640 32.7-110.3 -79.8 132.5 17.4 -4.2 15.9 29 39 A T E S+B 18 0A 0 -11,-2.9 -11,-1.8 -2,-0.4 2,-0.2 -0.908 99.2 47.2-119.3 147.8 20.3 -2.0 16.8 30 40 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 226,-0.2 0.490 93.9-172.5 -60.1 135.3 21.9 0.2 15.5 31 41 A A E -c 256 0B 3 224,-2.3 226,-1.7 -2,-0.2 2,-0.5 -0.895 26.7-152.6-112.9 137.4 18.3 1.5 14.8 32 42 A F E -c 257 0B 2 -2,-0.3 24,-0.3 224,-0.2 23,-0.3 -0.963 14.7-155.0-108.1 126.7 16.8 4.3 12.7 33 43 A M E -c 258 0B 0 224,-2.7 226,-0.8 -2,-0.5 24,-0.2 -0.901 10.3-139.7-103.1 108.2 13.5 5.6 13.9 34 44 A P - 0 0 0 0, 0.0 24,-2.9 0, 0.0 2,-0.5 -0.353 30.0-113.7 -58.9 148.3 11.3 7.3 11.3 35 45 A V E -d 58 0B 3 224,-0.3 2,-0.6 22,-0.2 7,-0.5 -0.799 22.2-163.5 -99.3 126.4 9.7 10.4 12.7 36 46 A G E -d 59 0B 2 22,-3.5 24,-3.1 -2,-0.5 3,-0.3 -0.917 10.5-176.5 -98.5 111.9 5.9 10.7 13.3 37 47 A T S S+ 0 0 36 3,-1.6 27,-0.5 -2,-0.6 26,-0.3 0.990 76.9 6.7 -81.2 -56.6 5.2 14.3 13.7 38 48 A A S S- 0 0 26 2,-0.5 -1,-0.2 25,-0.1 23,-0.1 -0.606 131.9 -59.0-123.7 67.1 1.5 14.5 14.5 39 49 A A S S+ 0 0 18 21,-0.3 2,-0.3 -3,-0.3 20,-0.1 0.717 120.3 83.4 60.4 28.7 0.5 10.9 14.8 40 50 A T S S- 0 0 63 5,-0.0 -3,-1.6 6,-0.0 2,-0.9 -0.936 76.6-131.2-155.1 136.6 1.7 10.1 11.2 41 51 A V > - 0 0 4 3,-0.5 3,-2.5 -2,-0.3 -5,-0.2 -0.814 63.0 -99.9 -78.7 108.3 5.0 9.3 9.5 42 52 A K T 3 S- 0 0 82 -2,-0.9 -1,-0.1 -7,-0.5 3,-0.1 -0.048 94.9 -2.9 -54.0 126.4 4.3 11.9 6.8 43 53 A A T 3 S+ 0 0 40 1,-0.1 2,-0.4 282,-0.0 -1,-0.3 0.466 112.6 101.9 75.8 11.2 2.9 10.5 3.5 44 54 A L < - 0 0 14 -3,-2.5 -3,-0.5 281,-0.1 -1,-0.1 -0.981 66.2-135.0-129.2 135.9 3.1 6.9 4.7 45 55 A K >> - 0 0 137 -2,-0.4 4,-2.0 1,-0.1 3,-0.8 -0.519 35.4-115.7 -65.7 143.8 0.7 4.3 6.0 46 56 A P H 3> S+ 0 0 34 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.847 116.9 58.6 -52.2 -36.8 2.2 2.5 9.0 47 57 A E H 3> S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.883 106.3 49.5 -65.2 -30.8 2.2 -0.8 7.1 48 58 A T H <> S+ 0 0 30 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.911 108.1 52.8 -67.8 -44.4 4.5 0.9 4.5 49 59 A V H <>S+ 0 0 2 -4,-2.0 5,-1.4 1,-0.2 3,-0.4 0.943 113.0 44.4 -55.3 -46.9 6.7 2.2 7.3 50 60 A R H ><5S+ 0 0 81 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.896 107.1 59.9 -65.1 -38.8 7.0 -1.4 8.6 51 61 A A H 3<5S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.852 97.6 59.2 -62.4 -31.2 7.6 -2.7 5.1 52 62 A T T 3<5S- 0 0 18 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.650 126.9 -99.1 -72.1 -12.4 10.6 -0.6 4.8 53 63 A G T < 5 + 0 0 17 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.366 68.6 152.5 113.3 -5.1 12.1 -2.3 7.8 54 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.2 3,-0.1 -0.344 22.3-175.4 -63.0 137.1 11.4 0.1 10.7 55 65 A D S S+ 0 0 9 1,-0.3 2,-0.3 -23,-0.3 -1,-0.2 0.612 72.0 12.5-101.1 -20.8 11.1 -1.7 14.1 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.989 64.8-152.1-157.2 149.5 10.2 1.5 16.0 57 67 A I E - e 0 89B 1 31,-1.4 33,-2.3 -2,-0.3 2,-0.5 -0.868 19.6-121.8-123.1 162.6 9.1 5.0 15.2 58 68 A L E -de 35 90B 2 -24,-2.9 -22,-3.5 -2,-0.3 2,-0.6 -0.892 21.3-154.0-102.8 128.9 9.5 8.3 17.1 59 69 A G E -de 36 91B 5 31,-3.2 33,-1.5 -2,-0.5 2,-0.2 -0.899 14.8-133.2-103.9 121.2 6.3 10.1 17.9 60 70 A N - 0 0 37 -24,-3.1 4,-0.4 -2,-0.6 -21,-0.3 -0.596 15.0-164.6 -66.6 134.8 6.6 13.9 18.3 61 71 A T S > S+ 0 0 0 -2,-0.2 4,-2.2 2,-0.1 5,-0.2 0.686 73.2 72.8 -91.0 -32.2 4.8 15.0 21.5 62 72 A Y H > S+ 0 0 86 2,-0.2 4,-1.0 1,-0.2 3,-0.1 0.934 100.1 37.8 -58.7 -55.7 4.7 18.7 20.8 63 73 A H H >> S+ 0 0 88 -26,-0.3 4,-1.9 1,-0.2 3,-1.4 0.968 117.5 50.6 -60.7 -51.2 2.0 18.9 18.1 64 74 A L H 34>S+ 0 0 2 -27,-0.5 5,-2.2 -4,-0.4 -1,-0.2 0.774 102.4 58.8 -63.2 -26.9 -0.2 16.2 19.6 65 75 A M H 3<5S+ 0 0 35 -4,-2.2 5,-0.3 4,-0.2 -1,-0.3 0.820 111.8 45.6 -70.5 -24.3 -0.2 17.7 23.0 66 76 A L H <<5S+ 0 0 79 -3,-1.4 -2,-0.2 -4,-1.0 -3,-0.1 0.977 120.1 30.1 -72.4 -72.6 -1.7 20.7 21.2 67 77 A R T <5S+ 0 0 56 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.1 -0.995 132.9 8.0-137.1 136.0 -4.3 18.9 19.0 68 78 A P T 5S- 0 0 37 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 -0.997 105.3-135.3 -75.9 -6.7 -5.9 16.5 19.4 69 79 A G >< - 0 0 12 -5,-2.2 4,-2.1 -6,-0.2 -4,-0.2 0.081 18.7 -98.7 99.6 141.5 -4.4 16.7 22.9 70 80 A A H > S+ 0 0 0 -5,-0.3 4,-2.6 1,-0.2 5,-0.2 0.876 121.2 54.5 -65.1 -39.3 -2.9 13.9 25.0 71 81 A E H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 108.0 48.3 -63.5 -41.3 -6.0 13.3 27.0 72 82 A R H > S+ 0 0 158 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.934 110.8 50.6 -66.6 -41.5 -8.2 12.9 23.9 73 83 A I H <>S+ 0 0 0 -4,-2.1 5,-3.1 1,-0.2 4,-0.4 0.945 110.3 50.6 -63.4 -38.5 -5.7 10.4 22.4 74 84 A A H ><5S+ 0 0 37 -4,-2.6 3,-1.5 3,-0.2 -1,-0.2 0.936 109.0 51.6 -60.7 -43.7 -5.8 8.5 25.7 75 85 A K H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.845 107.7 52.9 -59.0 -37.3 -9.6 8.5 25.5 76 86 A L T 3<5S- 0 0 97 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.453 134.5 -85.7 -81.8 -0.8 -9.5 7.1 22.0 77 87 A G T < 5S- 0 0 54 -3,-1.5 4,-0.4 -4,-0.4 -3,-0.2 0.418 73.3 -71.8 114.0 4.4 -7.2 4.2 23.1 78 88 A G >< - 0 0 10 -5,-3.1 4,-2.2 -6,-0.2 48,-0.2 -0.115 60.1 -68.6 97.1 165.5 -3.7 5.7 22.9 79 89 A L H > S+ 0 0 3 46,-2.8 4,-2.5 1,-0.2 5,-0.3 0.838 125.3 57.8 -63.3 -36.9 -1.4 6.6 20.1 80 90 A H H >>S+ 0 0 10 45,-0.4 5,-1.5 1,-0.2 4,-1.4 0.930 113.3 38.1 -61.6 -48.4 -0.7 3.1 18.9 81 91 A S H 45S+ 0 0 87 -4,-0.4 -1,-0.2 3,-0.2 -2,-0.2 0.886 114.9 55.8 -66.6 -41.5 -4.4 2.4 18.3 82 92 A F H <5S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.940 120.1 27.4 -58.4 -51.3 -5.1 5.9 17.0 83 93 A M H <5S- 0 0 32 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.605 107.7-117.4 -93.5 -11.5 -2.5 5.8 14.2 84 94 A G T <5 + 0 0 51 -4,-1.4 2,-0.5 -5,-0.3 -3,-0.2 0.840 69.6 129.6 78.4 37.4 -2.4 2.1 13.6 85 95 A W < + 0 0 9 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.2 -0.987 29.2 179.4-119.2 112.8 1.2 1.3 14.6 86 96 A D + 0 0 111 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.367 54.0 85.3-101.9 6.2 1.3 -1.6 17.0 87 97 A R S S- 0 0 67 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.336 95.0 -54.5 -96.5 175.5 5.1 -1.8 17.4 88 98 A P - 0 0 0 0, 0.0 -31,-1.4 0, 0.0 2,-0.4 -0.158 49.4-161.4 -55.7 147.0 7.2 0.3 19.9 89 99 A I E -e 57 0B 1 -33,-0.2 39,-2.4 37,-0.1 40,-1.8 -0.997 7.9-154.0-128.1 128.7 7.1 4.0 19.9 90 100 A L E -ef 58 129B 0 -33,-2.3 -31,-3.2 -2,-0.4 2,-0.4 -0.877 17.6-159.3 -93.6 124.6 9.7 6.4 21.4 91 101 A T E -ef 59 130B 0 38,-2.7 40,-1.1 -2,-0.5 -31,-0.2 -0.907 8.8-136.4-105.9 138.5 8.1 9.7 22.4 92 102 A D - 0 0 28 -33,-1.5 41,-0.1 -2,-0.4 39,-0.0 -0.337 27.2-109.5 -82.1 177.3 10.1 12.8 22.8 93 103 A S - 0 0 5 39,-0.2 28,-0.1 37,-0.1 29,-0.1 0.608 37.8-126.0 -86.2 -12.5 9.4 15.1 25.8 94 104 A G S > S+ 0 0 2 4,-0.0 4,-0.7 19,-0.0 -1,-0.1 0.208 87.3 99.9 86.7 -10.6 7.9 17.9 23.8 95 105 A G T 4 + 0 0 17 1,-0.2 3,-0.1 2,-0.2 41,-0.1 0.814 68.5 62.7 -77.9 -30.5 10.3 20.4 25.2 96 106 A Y T 4 S+ 0 0 160 1,-0.2 -1,-0.2 2,-0.2 37,-0.0 0.895 105.2 45.8 -63.9 -42.8 12.8 20.6 22.4 97 107 A Q T 4 0 0 61 1,-0.0 -1,-0.2 0, 0.0 -2,-0.2 0.748 360.0 360.0 -73.7 -22.3 10.2 21.9 19.9 98 108 A V < 0 0 61 -4,-0.7 -2,-0.2 -3,-0.1 -3,-0.1 0.903 360.0 360.0 -70.4 360.0 9.0 24.5 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 0.0 100 116 A K 0 0 93 0, 0.0 7,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 103.4 9.1 31.6 29.8 101 117 A Q B +K 106 0C 74 5,-0.2 2,-0.3 3,-0.0 5,-0.2 -0.774 360.0 154.0 -97.7 136.2 11.8 29.3 31.3 102 118 A S - 0 0 47 3,-1.9 3,-0.5 -2,-0.3 0, 0.0 -0.902 59.4 -95.9-147.3 170.8 11.9 28.5 35.1 103 119 A E S S+ 0 0 67 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.728 123.2 60.5 -62.2 -23.4 13.2 25.6 37.3 104 120 A E S S- 0 0 46 1,-0.3 2,-0.3 10,-0.1 -1,-0.2 0.854 120.7 -93.9 -72.5 -35.9 9.6 24.4 37.3 105 121 A G - 0 0 0 -3,-0.5 -3,-1.9 9,-0.2 2,-0.4 -0.980 54.6 -43.9 153.8-150.2 9.5 23.9 33.5 106 122 A V E -KL 101 113C 29 7,-3.5 7,-3.5 -2,-0.3 2,-0.4 -0.928 32.7-161.9-122.0 139.9 8.5 26.0 30.5 107 123 A T E + L 0 112C 51 -7,-2.6 2,-0.3 -2,-0.4 5,-0.3 -0.934 26.3 158.0-113.9 142.6 5.5 28.1 29.7 108 124 A F 0 0 50 3,-2.4 -10,-0.0 -2,-0.4 -2,-0.0 -0.962 360.0 360.0-159.5 166.1 4.7 28.9 26.0 109 125 A K 0 0 138 -2,-0.3 -2,-0.0 -11,-0.0 0, 0.0 -0.824 360.0 360.0-100.9 360.0 2.0 30.0 23.6 110 ! 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 0.0 111 133 A H 0 0 89 0, 0.0 -3,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 132.3 0.7 26.5 28.5 112 134 A M E -L 107 0C 86 -5,-0.3 2,-0.5 -7,-0.0 -5,-0.3 -0.948 360.0-172.5-113.8 130.6 3.2 25.0 31.0 113 135 A L E +L 106 0C 3 -7,-3.5 -7,-3.5 -2,-0.5 3,-0.0 -0.988 14.8 166.2-117.3 114.2 5.3 21.9 30.3 114 136 A S > - 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0 0 1 -5,-2.3 -1,-0.3 -8,-0.1 -238,-0.2 -0.637 20.4-179.3 -84.7 138.2 25.7 5.1 19.1 255 277 A D + 0 0 0 -20,-2.9 -224,-2.3 -2,-0.3 2,-0.3 0.555 62.0 42.9-106.9 -19.0 22.9 2.5 18.9 256 278 A M E +cj 31 236B 0 -21,-1.6 -19,-2.5 -226,-0.2 2,-0.3 -0.993 56.4 178.4-144.3 145.6 19.8 4.7 18.0 257 279 A F E -cj 32 237B 0 -226,-1.7 -224,-2.7 -2,-0.3 2,-0.3 -0.984 6.6-179.0-143.8 147.8 19.0 7.5 15.7 258 280 A D E +c 33 0B 20 -21,-0.7 2,-0.3 -18,-0.6 -19,-0.1 -0.993 14.7 151.2-140.7 149.4 16.1 9.7 14.6 259 281 A C - 0 0 10 -226,-0.8 -224,-0.3 -2,-0.3 4,-0.3 -0.850 43.4-136.1-175.1 147.3 15.8 12.5 12.1 260 282 A V S >>S+ 0 0 43 -2,-0.3 4,-2.5 1,-0.2 5,-0.6 0.471 80.4 99.9 -79.8 -7.7 13.3 14.2 9.8 261 283 A L H >>S+ 0 0 44 1,-0.2 4,-2.1 3,-0.2 5,-0.6 0.908 81.0 46.9 -50.1 -54.1 15.8 14.4 6.9 262 284 A P H >5S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.875 123.2 33.3 -61.7 -35.8 14.5 11.3 4.9 263 285 A T H >5S+ 0 0 7 -3,-0.3 4,-2.5 -4,-0.3 5,-0.2 0.957 124.7 40.1 -80.8 -59.9 10.8 12.3 5.2 264 286 A R H X5S+ 0 0 146 -4,-2.5 4,-1.3 1,-0.2 -3,-0.2 0.929 121.0 43.0 -56.3 -49.1 11.1 16.1 5.0 265 287 A S H < - 0 0 2 -2,-0.3 3,-2.2 86,-0.1 20,-0.1 -0.942 47.5-111.7-136.3 162.6 21.4 7.0 -3.1 274 296 A W T 3 S+ 0 0 12 1,-0.3 19,-0.1 -2,-0.3 -2,-0.0 0.721 122.8 56.1 -68.7 -18.6 24.5 4.9 -2.5 275 297 A D T 3 S- 0 0 92 1,-0.4 -1,-0.3 84,-0.1 84,-0.1 0.091 129.5 -87.0 -88.9 16.9 26.1 7.4 -4.9 276 298 A G < - 0 0 3 -3,-2.2 -1,-0.4 2,-0.0 84,-0.1 -0.221 63.6 -44.9 95.7 168.8 25.0 10.3 -2.7 277 299 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.399 51.6-163.5 -76.1 153.5 21.8 12.3 -2.6 278 300 A I E -M 271 0D 31 -7,-2.4 -7,-2.2 -9,-0.1 2,-0.7 -0.933 20.6-130.7-128.6 150.9 20.1 13.6 -5.7 279 301 A N E > -M 270 0D 74 -2,-0.3 3,-2.0 -9,-0.2 -9,-0.2 -0.915 16.9-159.7-105.8 110.8 17.5 16.3 -6.3 280 302 A I T 3 S+ 0 0 0 -11,-2.3 5,-0.2 -2,-0.7 -1,-0.1 0.621 84.4 69.3 -64.5 -20.2 14.9 14.6 -8.5 281 303 A R T 3 S+ 0 0 109 -12,-0.2 -1,-0.3 -13,-0.2 5,-0.1 0.656 72.8 113.4 -71.1 -17.1 13.5 18.0 -9.6 282 304 A N S X S- 0 0 96 -3,-2.0 3,-2.5 1,-0.2 4,-0.2 -0.295 77.8-126.1 -57.2 135.6 16.7 18.6 -11.6 283 305 A A G > S+ 0 0 60 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.774 102.7 79.7 -58.2 -19.5 16.0 18.6 -15.3 284 306 A R G 3 S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.737 94.1 49.2 -62.4 -15.5 18.7 16.0 -15.7 285 307 A F G X S+ 0 0 26 -3,-2.5 3,-1.5 -5,-0.2 -1,-0.3 0.387 76.4 103.3-101.6 2.2 16.1 13.4 -14.6 286 308 A S T < S+ 0 0 57 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.756 100.2 19.7 -63.1 -23.7 13.2 14.4 -16.8 287 309 A E T 3 S+ 0 0 172 -4,-0.3 2,-0.8 -3,-0.3 -1,-0.3 0.087 90.0 126.8-131.0 26.3 13.8 11.4 -19.1 288 310 A D < - 0 0 23 -3,-1.5 19,-2.2 1,-0.1 18,-0.3 -0.738 36.2-172.3 -89.2 109.7 15.9 9.2 -16.8 289 311 A L + 0 0 143 -2,-0.8 -1,-0.1 17,-0.2 -4,-0.0 0.559 51.5 106.9 -85.2 -1.4 14.2 5.8 -16.8 290 312 A K S S- 0 0 114 15,-0.1 16,-3.0 1,-0.1 17,-0.3 -0.349 77.9-106.5 -67.8 154.8 16.5 4.4 -14.1 291 313 A P - 0 0 39 0, 0.0 14,-0.2 0, 0.0 3,-0.1 -0.300 41.6 -92.4 -72.0 170.2 15.0 4.0 -10.6 292 314 A L S S+ 0 0 1 12,-0.3 2,-0.4 1,-0.2 -21,-0.1 0.898 113.7 18.2 -50.2 -45.2 16.1 6.4 -7.8 293 315 A D S S- 0 0 2 3,-0.1 -1,-0.2 -20,-0.1 3,-0.1 -0.998 70.9-137.2-136.9 139.5 18.9 4.1 -6.9 294 316 A S S S+ 0 0 87 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.665 103.1 28.5 -62.9 -27.8 20.4 1.2 -8.8 295 317 A E S S+ 0 0 86 -4,-0.0 -1,-0.2 2,-0.0 -22,-0.0 0.580 85.2 123.5-114.3 -16.3 20.6 -1.2 -5.9 296 318 A C - 0 0 13 1,-0.1 -3,-0.1 -3,-0.1 35,-0.1 -0.183 46.2-156.6 -56.7 135.4 17.7 -0.2 -3.7 297 319 A H + 0 0 151 33,-0.1 -1,-0.1 4,-0.0 5,-0.1 0.412 50.4 124.0 -92.9 3.9 15.3 -3.0 -2.9 298 320 A C S > S- 0 0 11 1,-0.1 4,-1.3 29,-0.1 3,-0.1 -0.194 73.7-114.6 -69.3 158.5 12.3 -0.8 -2.1 299 321 A A H > S+ 0 0 52 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.820 114.9 58.6 -57.2 -33.6 8.9 -1.0 -3.9 300 322 A V H >> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.937 107.5 45.0 -67.2 -43.8 9.4 2.4 -5.4 301 323 A C H 34 S+ 0 0 16 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.748 109.5 57.9 -72.3 -19.0 12.7 1.4 -7.1 302 324 A Q H 3< S+ 0 0 88 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.766 123.1 17.8 -77.4 -25.4 11.1 -1.8 -8.3 303 325 A K H << S+ 0 0 148 -4,-1.2 2,-0.3 -3,-0.5 -2,-0.2 0.736 110.7 56.9-124.3 -22.1 8.3 -0.0 -10.2 304 326 A W < - 0 0 73 -4,-2.7 -12,-0.3 -5,-0.2 2,-0.2 -0.887 62.2-131.0-124.6 151.0 8.8 3.7 -11.0 305 327 A S > - 0 0 22 -2,-0.3 4,-2.3 -14,-0.2 3,-0.3 -0.545 25.9-116.0 -88.8 154.2 11.4 5.8 -12.8 306 328 A R H > S+ 0 0 36 -16,-3.0 4,-3.3 -18,-0.3 5,-0.2 0.906 116.9 59.9 -43.8 -45.9 13.3 8.9 -11.8 307 329 A A H > S+ 0 0 16 -19,-2.2 4,-2.0 -17,-0.3 -1,-0.2 0.879 105.7 44.2 -58.7 -43.4 11.5 10.5 -14.7 308 330 A Y H > S+ 0 0 83 -3,-0.3 4,-2.7 -20,-0.2 -1,-0.2 0.935 115.6 46.6 -67.6 -45.1 8.1 9.8 -13.3 309 331 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.891 109.6 56.0 -67.9 -34.2 9.0 10.9 -9.8 310 332 A H H X S+ 0 0 15 -4,-3.3 4,-2.4 -5,-0.2 -1,-0.2 0.943 109.7 45.9 -53.6 -52.5 10.6 14.0 -11.3 311 333 A H H X S+ 0 0 105 -4,-2.0 4,-2.2 -5,-0.2 6,-0.2 0.954 112.3 51.2 -55.6 -50.3 7.3 14.8 -13.0 312 334 A L H <>S+ 0 0 6 -4,-2.7 5,-2.4 1,-0.2 4,-0.4 0.937 112.7 43.5 -58.4 -49.2 5.3 14.1 -9.8 313 335 A I H ><5S+ 0 0 12 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.920 113.0 51.6 -67.7 -41.5 7.4 16.4 -7.5 314 336 A R H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.867 110.6 50.8 -58.1 -35.0 7.6 19.2 -10.1 315 337 A A T 3<5S- 0 0 55 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.483 112.4-118.8 -84.4 -2.7 3.8 19.0 -10.4 316 338 A G T < 5 + 0 0 67 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.743 55.3 164.7 76.3 17.4 3.2 19.2 -6.6 317 339 A E >>< - 0 0 108 -5,-2.4 3,-1.2 -6,-0.2 4,-1.1 -0.521 43.4-136.5 -79.3 135.7 1.5 15.8 -6.6 318 340 A I H 3> S+ 0 0 128 -2,-0.3 4,-2.4 1,-0.3 3,-0.2 0.852 103.5 63.9 -53.5 -39.1 1.0 13.9 -3.4 319 341 A L H 3> S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.861 97.5 58.6 -59.2 -28.2 2.1 10.6 -4.9 320 342 A G H <> S+ 0 0 0 -3,-1.2 4,-2.6 -8,-0.2 5,-0.3 0.949 107.0 45.2 -63.3 -45.6 5.5 12.3 -5.4 321 343 A A H X S+ 0 0 19 -4,-1.1 4,-2.2 -3,-0.2 -2,-0.2 0.903 113.7 51.8 -59.6 -42.1 5.8 12.9 -1.6 322 344 A M H X S+ 0 0 75 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.917 114.3 40.5 -62.8 -49.5 4.6 9.3 -1.0 323 345 A L H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.910 115.1 49.6 -69.8 -44.5 7.1 7.7 -3.3 324 346 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.933 113.6 47.6 -59.2 -44.8 10.1 9.8 -2.4 325 347 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.901 111.1 49.1 -66.0 -41.9 9.4 9.3 1.3 326 348 A E H X S+ 0 0 38 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.937 113.5 48.2 -63.7 -43.0 9.0 5.5 1.0 327 349 A H H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.952 112.8 47.0 -58.6 -51.3 12.2 5.3 -0.9 328 350 A N H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.891 113.4 46.3 -64.7 -41.1 14.2 7.5 1.5 329 351 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.897 113.4 50.8 -66.7 -40.2 13.0 5.6 4.7 330 352 A A H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.917 109.5 51.5 -61.0 -42.1 13.7 2.3 2.9 331 353 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.940 109.2 49.3 -58.6 -49.1 17.2 3.6 2.0 332 354 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.901 111.8 49.1 -58.7 -39.4 17.8 4.5 5.7 333 355 A Q H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.903 109.8 50.7 -70.6 -38.0 16.7 1.1 6.8 334 356 A Q H X S+ 0 0 29 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.890 108.8 53.8 -63.6 -38.3 18.9 -0.6 4.2 335 357 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.949 109.7 46.2 -58.7 -48.8 21.8 1.5 5.6 336 358 A M H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.899 111.1 53.0 -65.3 -36.9 21.1 0.3 9.1 337 359 A Q H X S+ 0 0 59 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.915 108.9 48.4 -62.0 -41.1 20.9 -3.3 8.0 338 360 A K H X S+ 0 0 71 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.898 112.2 50.8 -65.3 -37.2 24.2 -3.0 6.2 339 361 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.949 111.6 46.3 -66.7 -45.7 25.6 -1.5 9.4 340 362 A R H X S+ 0 0 10 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.936 114.7 47.3 -62.0 -44.5 24.3 -4.3 11.6 341 363 A D H X S+ 0 0 63 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.903 111.2 50.3 -63.7 -42.1 25.5 -7.0 9.2 342 364 A S H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 6,-0.6 0.895 112.2 47.0 -68.6 -38.9 28.9 -5.6 8.9 343 365 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.3 4,-0.2 -2,-0.2 0.940 111.2 51.9 -64.3 -45.3 29.4 -5.2 12.6 344 366 A S H 3<5S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.767 115.2 43.1 -57.2 -32.6 28.1 -8.8 13.1 345 367 A E T 3<5S- 0 0 121 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.370 112.8-117.7 -98.5 2.3 30.6 -10.0 10.5 346 368 A G T < 5S+ 0 0 50 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.783 89.1 102.3 68.5 27.6 33.5 -7.9 11.9 347 369 A R >< + 0 0 106 -5,-2.7 4,-2.1 -6,-0.2 -4,-0.2 -0.053 35.8 115.2-128.3 31.1 33.9 -5.8 8.7 348 370 A F H > S+ 0 0 5 -6,-0.6 4,-2.9 2,-0.2 5,-0.2 0.894 73.9 56.1 -70.2 -39.0 32.2 -2.6 9.7 349 371 A S H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.936 110.9 45.3 -58.2 -43.2 35.3 -0.5 9.5 350 372 A Q H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.903 111.3 52.9 -65.4 -40.7 35.7 -1.6 5.9 351 373 A F H X S+ 0 0 26 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.922 107.4 52.7 -57.2 -44.5 32.0 -1.0 5.2 352 374 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.880 111.7 45.0 -61.5 -39.6 32.4 2.6 6.6 353 375 A Q H X S+ 0 0 50 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.913 114.9 46.8 -70.3 -45.9 35.3 3.3 4.2 354 376 A D H X S+ 0 0 91 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.891 112.1 52.2 -62.6 -42.2 33.6 1.7 1.2 355 377 A F H X S+ 0 0 8 -4,-3.0 4,-3.1 -5,-0.3 5,-0.2 0.961 112.2 43.8 -59.3 -52.3 30.4 3.6 2.0 356 378 A R H X S+ 0 0 67 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.884 109.5 56.8 -63.6 -38.6 32.1 7.0 2.2 357 379 A A H < S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.961 117.5 33.3 -59.2 -48.9 34.2 6.4 -0.9 358 380 A R H < S+ 0 0 88 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.913 115.1 56.1 -74.5 -38.9 31.2 5.8 -3.1 359 381 A Y H < 0 0 16 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.860 360.0 360.0 -64.1 -34.7 28.8 8.2 -1.3 360 382 A F < 0 0 146 -4,-2.1 0, 0.0 -5,-0.2 0, 0.0 -0.303 360.0 360.0 -97.9 360.0 31.1 11.1 -1.8