==== 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 29-APR-11 3RR4 . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR G.KLEBE,F.IMMEKUS,A.HEINE . 368 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.6 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 . 21 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.3 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 2 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 . 0 1 0 2 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 0 168 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 164.7 8.6 -10.2 25.7 2 12 A P - 0 0 62 0, 0.0 3,-0.2 0, 0.0 181,-0.0 -0.326 360.0-107.4 -72.7 163.2 10.0 -8.3 28.7 3 13 A R S S- 0 0 64 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.927 101.4 -9.7 -51.0 -47.8 9.3 -4.7 29.4 4 14 A F + 0 0 27 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.851 65.0 162.4-162.3 125.4 12.9 -3.9 28.3 5 15 A S E -A 21 0A 50 16,-1.6 16,-3.0 -2,-0.3 2,-0.6 -0.924 14.3-165.7-144.9 117.8 16.0 -6.0 27.5 6 16 A F E -A 20 0A 28 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.913 11.5-177.1-106.7 124.4 18.9 -4.8 25.5 7 17 A S E -A 19 0A 55 12,-3.0 12,-2.4 -2,-0.6 2,-0.6 -0.965 18.2-147.6-119.6 133.6 21.3 -7.4 24.2 8 18 A I E +A 18 0A 47 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.907 17.0 176.8 -98.8 121.0 24.6 -6.8 22.4 9 19 A A E + 0 0 86 8,-2.3 2,-0.3 -2,-0.6 9,-0.2 0.696 64.6 8.1 -92.1 -25.6 25.2 -9.6 19.9 10 20 A A E -A 17 0A 23 7,-1.7 7,-2.4 2,-0.0 2,-0.3 -0.986 59.4-160.3-161.3 148.1 28.4 -8.3 18.3 11 21 A R E +A 16 0A 119 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.908 10.9 179.8-131.8 155.7 31.0 -5.6 18.6 12 22 A E E > S-A 15 0A 44 3,-2.0 3,-2.3 -2,-0.3 2,-0.2 -0.775 72.3 -49.5-153.4 105.5 33.6 -3.9 16.4 13 23 A G T 3 S- 0 0 77 1,-0.3 -1,-0.2 -2,-0.2 249,-0.1 -0.485 123.5 -21.9 66.1-135.3 35.6 -1.2 18.1 14 24 A K T 3 S+ 0 0 91 247,-0.6 -1,-0.3 -2,-0.2 2,-0.2 0.565 118.2 103.2 -81.8 -12.1 33.1 1.1 19.8 15 25 A A E < -A 12 0A 1 -3,-2.3 -3,-2.0 246,-0.2 2,-0.3 -0.451 50.0-174.3 -77.5 145.7 30.3 -0.1 17.4 16 26 A R E -A 11 0A 3 248,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.970 13.3-165.2-135.2 153.2 27.7 -2.5 18.6 17 27 A T E +A 10 0A 8 -7,-2.4 -8,-2.3 -2,-0.3 -7,-1.7 -0.998 35.6 107.3-135.5 142.8 24.8 -4.4 17.1 18 28 A G E -AB 8 29A 6 11,-1.9 11,-2.8 -2,-0.4 2,-0.3 -0.866 54.0 -76.3-177.5-152.0 22.1 -6.1 19.0 19 29 A T E -AB 7 28A 53 -12,-2.4 -12,-3.0 -2,-0.3 2,-0.5 -0.995 11.4-149.7-143.2 147.6 18.4 -6.0 20.0 20 30 A I E -AB 6 27A 0 7,-2.8 7,-2.9 -2,-0.3 2,-0.5 -0.984 22.2-158.7-109.5 119.1 16.0 -4.2 22.3 21 31 A E E +AB 5 26A 17 -16,-3.0 -16,-1.6 -2,-0.5 2,-0.3 -0.878 20.3 163.4-100.9 130.8 13.2 -6.4 23.2 22 32 A M E > - B 0 25A 1 3,-2.0 3,-1.5 -2,-0.5 -19,-0.2 -0.886 51.9 -96.2-135.8 168.3 10.0 -4.7 24.4 23 33 A K T 3 S+ 0 0 77 -20,-0.5 -20,-0.1 160,-0.3 3,-0.1 0.881 122.6 44.9 -58.2 -39.2 6.4 -5.8 24.9 24 34 A R T 3 S- 0 0 101 1,-0.2 -1,-0.3 -21,-0.2 2,-0.3 0.485 126.8 -56.1 -89.2 2.0 5.3 -4.4 21.6 25 35 A G E < -B 22 0A 1 -3,-1.5 -3,-2.0 62,-0.2 2,-0.4 -0.874 57.7 -66.1 152.7 178.8 8.2 -5.8 19.6 26 36 A V E -B 21 0A 56 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.833 33.4-153.2-103.0 137.3 12.0 -6.2 18.9 27 37 A I E -B 20 0A 0 -7,-2.9 -7,-2.8 -2,-0.4 2,-0.4 -0.980 10.8-142.6-116.4 116.9 14.2 -3.3 17.9 28 38 A R E -B 19 0A 79 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.632 33.2-109.0 -78.5 129.5 17.3 -4.1 15.9 29 39 A T E S+B 18 0A 0 -11,-2.8 -11,-1.9 -2,-0.4 2,-0.2 -0.914 100.6 45.4-118.8 145.2 20.2 -1.9 16.7 30 40 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 236,-0.2 0.509 93.2-176.5 -64.7 135.3 21.7 0.3 15.4 31 41 A A E -c 266 0B 4 234,-1.9 236,-1.5 -2,-0.2 2,-0.5 -0.880 26.9-150.4-112.7 144.3 18.2 1.5 14.6 32 42 A F E -c 267 0B 2 -2,-0.3 24,-0.3 234,-0.2 23,-0.3 -0.981 15.0-153.2-111.3 128.0 16.8 4.4 12.6 33 43 A M E -c 268 0B 0 234,-2.9 236,-0.8 -2,-0.5 24,-0.2 -0.887 10.1-139.3-103.0 110.7 13.5 5.7 13.9 34 44 A P - 0 0 0 0, 0.0 24,-2.4 0, 0.0 2,-0.5 -0.415 30.9-113.4 -60.0 146.7 11.3 7.4 11.2 35 45 A V E -d 58 0B 3 234,-0.5 2,-0.7 22,-0.2 7,-0.5 -0.757 24.4-166.6 -94.5 127.8 9.6 10.5 12.7 36 46 A G E -d 59 0B 1 22,-3.1 24,-1.5 -2,-0.5 3,-0.4 -0.934 12.1-178.4-104.5 99.8 5.9 10.7 13.3 37 47 A T S S+ 0 0 18 3,-1.1 23,-1.2 -2,-0.7 2,-0.7 0.958 75.9 9.0 -65.2 -80.4 5.3 14.3 13.9 38 48 A A S S- 0 0 41 2,-0.3 -1,-0.2 25,-0.1 3,-0.1 -0.551 132.3 -61.7-103.6 58.5 1.6 14.6 14.6 39 49 A A S S+ 0 0 18 -2,-0.7 2,-0.3 -3,-0.4 -1,-0.1 0.746 119.0 81.6 67.1 29.9 0.6 10.9 14.8 40 50 A T S S- 0 0 62 5,-0.0 -3,-1.1 6,-0.0 2,-0.8 -0.918 76.4-130.7-155.8 136.1 1.7 10.2 11.2 41 51 A V > - 0 0 4 3,-0.5 3,-2.2 -2,-0.3 -5,-0.2 -0.853 62.8 -97.7 -78.0 111.4 5.0 9.5 9.5 42 52 A K T 3 S- 0 0 77 -2,-0.8 -1,-0.1 -7,-0.5 3,-0.1 -0.020 95.6 -4.4 -53.0 126.6 4.3 12.0 6.8 43 53 A A T 3 S+ 0 0 41 1,-0.1 2,-0.4 292,-0.0 -1,-0.3 0.509 112.0 100.7 75.1 12.3 2.9 10.6 3.6 44 54 A L < - 0 0 14 -3,-2.2 -3,-0.5 291,-0.1 -1,-0.1 -0.986 66.5-133.7-129.1 131.9 3.1 7.0 4.6 45 55 A K >> - 0 0 158 -2,-0.4 4,-2.3 1,-0.1 3,-0.9 -0.479 36.0-113.8 -64.3 147.0 0.7 4.4 6.0 46 56 A P H 3> S+ 0 0 36 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.850 117.7 59.0 -54.6 -33.5 2.1 2.6 9.0 47 57 A E H 3> S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.871 106.3 49.2 -64.9 -32.1 2.2 -0.7 7.0 48 58 A T H <> S+ 0 0 35 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.927 108.7 51.7 -73.2 -42.5 4.4 1.1 4.5 49 59 A V H ><>S+ 0 0 1 -4,-2.3 5,-1.3 1,-0.2 3,-0.5 0.939 112.6 46.5 -54.3 -46.0 6.7 2.3 7.3 50 60 A R H ><5S+ 0 0 80 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.896 106.8 58.7 -64.3 -38.4 6.9 -1.2 8.5 51 61 A A H 3<5S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.794 96.9 60.7 -63.9 -29.4 7.6 -2.5 5.0 52 62 A T T <<5S- 0 0 18 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.613 126.2 -99.6 -71.2 -14.6 10.6 -0.4 4.7 53 63 A G T < 5 + 0 0 19 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.331 68.6 153.5 112.2 -1.9 12.1 -2.2 7.7 54 64 A A < - 0 0 0 -5,-1.3 -1,-0.3 1,-0.1 3,-0.1 -0.352 22.4-176.4 -62.3 137.2 11.4 0.2 10.6 55 65 A D S S+ 0 0 6 -23,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.578 70.4 14.3-102.2 -19.3 11.0 -1.4 14.0 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.986 63.6-154.6-158.4 147.2 10.1 1.7 15.9 57 67 A I E - e 0 89B 2 31,-1.4 33,-2.5 -2,-0.3 2,-0.4 -0.854 18.3-122.9-122.8 162.2 9.0 5.2 15.2 58 68 A L E -de 35 90B 2 -24,-2.4 -22,-3.1 -2,-0.3 2,-0.4 -0.862 16.7-156.4-105.2 141.6 9.3 8.4 17.1 59 69 A G E -de 36 91B 5 31,-3.0 33,-1.8 -2,-0.4 2,-0.7 -0.955 17.8-128.4-112.2 137.7 6.3 10.6 18.1 60 70 A N > - 0 0 10 -24,-1.5 4,-2.2 -23,-1.2 5,-0.3 -0.701 13.3-162.1 -82.6 109.7 6.7 14.4 18.8 61 71 A T H > S+ 0 0 0 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.879 85.7 58.2 -56.1 -41.0 5.2 15.3 22.3 62 72 A Y H > S+ 0 0 5 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.961 110.6 40.2 -58.0 -50.4 5.0 19.0 21.5 63 73 A H H >> S+ 0 0 55 1,-0.2 4,-3.4 2,-0.2 3,-0.8 0.956 116.3 49.9 -66.5 -46.2 2.8 18.6 18.4 64 74 A L H 3<>S+ 0 0 0 -4,-2.2 5,-2.3 -27,-0.3 -1,-0.2 0.885 106.1 54.8 -62.6 -36.2 0.6 15.9 19.9 65 75 A M H 3<5S+ 0 0 19 -4,-2.3 5,-0.4 -5,-0.3 -1,-0.3 0.819 116.1 40.0 -72.1 -21.9 -0.1 17.8 23.1 66 76 A L H <<5S+ 0 0 42 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.845 118.6 45.9 -88.8 -45.8 -1.3 20.7 21.0 67 77 A R T <5S- 0 0 204 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.922 132.7 -5.9-151.4 119.3 -3.2 18.7 18.3 68 78 A P T 5S- 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.997 105.8-120.1 -87.3 -4.4 -5.1 16.5 18.8 69 79 A G >< - 0 0 13 -5,-2.3 4,-2.4 -6,-0.2 -4,-0.2 0.070 8.3-112.3 110.6 136.5 -4.2 16.5 22.5 70 80 A A H > S+ 0 0 1 -5,-0.4 4,-2.4 2,-0.2 5,-0.2 0.944 116.0 48.5 -68.8 -43.2 -2.7 13.9 24.8 71 81 A E H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.910 111.9 50.6 -63.7 -39.9 -5.8 13.4 26.9 72 82 A R H > S+ 0 0 162 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.958 109.6 49.5 -62.2 -47.3 -8.0 13.1 23.8 73 83 A I H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 4,-0.5 0.922 110.8 51.6 -59.0 -38.3 -5.6 10.5 22.3 74 84 A A H ><5S+ 0 0 36 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.942 107.6 51.6 -62.2 -44.7 -5.8 8.6 25.6 75 85 A K H 3<5S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.874 108.9 52.5 -59.4 -36.0 -9.6 8.7 25.5 76 86 A L T 3<5S- 0 0 92 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.461 132.4 -86.4 -84.0 -1.3 -9.4 7.2 22.0 77 87 A G T < 5S- 0 0 53 -3,-1.4 4,-0.3 -4,-0.5 -3,-0.2 0.429 72.8 -66.8 116.3 0.5 -7.2 4.4 23.1 78 88 A G >< - 0 0 11 -5,-2.9 4,-2.3 -6,-0.2 58,-0.2 -0.200 59.8 -73.7 104.3 161.2 -3.6 5.6 22.9 79 89 A L H > S+ 0 0 1 56,-2.8 4,-2.9 1,-0.2 5,-0.3 0.830 125.6 57.7 -62.6 -35.8 -1.3 6.7 20.0 80 90 A H H >>S+ 0 0 14 55,-0.5 4,-1.6 1,-0.2 5,-1.4 0.954 113.0 38.6 -61.6 -49.6 -0.7 3.2 18.7 81 91 A S H 45S+ 0 0 87 -4,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.912 115.2 54.4 -64.1 -46.1 -4.4 2.5 18.2 82 92 A F H <5S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.942 120.8 27.6 -54.8 -54.1 -5.1 6.0 16.9 83 93 A M H <5S- 0 0 30 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.576 107.5-115.7 -93.4 -8.8 -2.5 6.0 14.2 84 94 A G T <5S+ 0 0 50 -4,-1.6 2,-0.5 -5,-0.3 -3,-0.2 0.828 70.3 129.5 80.3 33.7 -2.4 2.3 13.5 85 95 A W < + 0 0 9 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.2 -0.983 29.2 179.5-117.8 113.2 1.2 1.5 14.5 86 96 A D + 0 0 118 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.435 55.0 82.9 -98.8 1.3 1.3 -1.5 16.9 87 97 A R S S- 0 0 69 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.248 95.4 -51.9 -94.3 179.5 5.1 -1.6 17.4 88 98 A P - 0 0 0 0, 0.0 -31,-1.4 0, 0.0 2,-0.4 -0.201 49.4-163.1 -57.6 147.9 7.2 0.4 19.8 89 99 A I E -e 57 0B 0 -33,-0.2 49,-2.4 47,-0.1 50,-2.0 -0.998 6.0-155.8-130.5 128.8 7.0 4.2 19.8 90 100 A L E -ef 58 139B 0 -33,-2.5 -31,-3.0 -2,-0.4 2,-0.4 -0.916 13.4-156.6-100.1 128.6 9.6 6.4 21.4 91 101 A T E -ef 59 140B 0 48,-2.4 50,-0.9 -2,-0.5 -31,-0.2 -0.914 10.9-132.9-106.0 134.6 8.2 9.8 22.4 92 102 A D - 0 0 30 -33,-1.8 -31,-0.2 -2,-0.4 49,-0.1 -0.297 24.4-117.6 -73.1 169.6 10.4 12.9 22.8 93 103 A S - 0 0 5 49,-0.3 -1,-0.1 47,-0.1 38,-0.1 0.565 39.5-123.3 -95.4 -5.5 9.9 14.9 25.9 94 104 A G S > S+ 0 0 2 29,-0.0 4,-2.1 49,-0.0 5,-0.2 0.055 80.8 103.6 98.1 -20.8 8.8 18.1 24.1 95 105 A G H > S+ 0 0 6 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.895 77.1 56.2 -67.8 -38.1 11.2 20.8 25.3 96 106 A Y H > S+ 0 0 126 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 112.2 42.2 -58.5 -48.7 13.4 21.0 22.2 97 107 A Q H >>S+ 0 0 27 2,-0.2 4,-3.3 1,-0.2 5,-0.5 0.863 110.9 56.8 -70.7 -36.5 10.4 21.7 20.0 98 108 A V H X5S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.975 111.3 43.6 -53.3 -53.3 8.9 24.1 22.5 99 109 A M H <5S+ 0 0 81 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.840 123.5 35.6 -69.2 -24.9 12.0 26.2 22.4 100 110 A S H <5S+ 0 0 72 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.795 128.8 28.1 -97.9 -21.4 12.4 26.0 18.7 101 111 A L H <5 0 0 74 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.660 360.0 360.0-115.0 -20.0 8.7 26.2 17.5 102 112 A S << 0 0 30 -4,-2.0 14,-0.2 -5,-0.5 3,-0.2 -0.427 360.0 360.0 -95.7 360.0 6.6 28.0 20.0 103 ! 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 0.0 104 114 A L 0 0 88 0, 0.0 11,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.4 6.6 32.7 23.1 105 115 A T E -K 114 0C 55 9,-0.2 2,-0.4 -3,-0.2 9,-0.2 -0.969 360.0-156.6-148.6 152.4 8.1 30.9 26.2 106 116 A K E -K 113 0C 51 7,-2.4 7,-2.4 -2,-0.3 2,-0.3 -0.955 19.0-157.6-137.2 111.9 8.9 31.3 29.9 107 117 A Q E +K 112 0C 99 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.701 21.7 153.6 -96.3 141.6 11.5 29.1 31.4 108 118 A S E > -K 111 0C 53 3,-2.2 3,-0.5 -2,-0.3 -2,-0.0 -0.930 60.4 -91.8-152.5 170.8 11.9 28.3 35.1 109 119 A E T 3 S+ 0 0 65 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.780 124.8 58.3 -61.6 -25.4 13.2 25.6 37.4 110 120 A E T 3 S- 0 0 56 1,-0.2 2,-0.3 14,-0.1 -1,-0.2 0.863 121.3 -94.0 -71.3 -33.3 9.6 24.2 37.3 111 121 A G E < -K 108 0C 3 -3,-0.5 -3,-2.2 13,-0.2 2,-0.4 -0.976 53.8 -50.5 152.6-142.1 9.6 23.8 33.5 112 122 A V E -KL 107 123C 6 11,-3.5 11,-3.0 -2,-0.3 2,-0.4 -0.997 30.1-159.9-140.2 135.0 8.4 25.9 30.6 113 123 A T E +KL 106 122C 72 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.3 -0.879 27.2 165.4-108.7 145.2 5.2 27.7 29.7 114 124 A F E -KL 105 121C 8 7,-3.1 7,-3.5 -2,-0.4 2,-0.5 -0.972 35.8-112.9-155.2 165.8 4.6 28.6 26.1 115 125 A K E - 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0 0 16 -236,-0.8 -234,-0.5 -2,-0.3 4,-0.3 -0.941 41.1-142.1-167.9 148.0 15.7 12.5 12.0 270 282 A V S >>S+ 0 0 75 -2,-0.3 4,-2.6 1,-0.2 5,-0.6 0.564 79.9 98.4 -86.5 -8.4 13.3 14.2 9.8 271 283 A L H >>S+ 0 0 41 1,-0.2 4,-1.7 2,-0.2 5,-0.6 0.895 81.7 46.4 -51.2 -50.5 15.8 14.5 6.9 272 284 A P H >5S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.908 122.5 35.8 -61.7 -37.0 14.6 11.4 4.9 273 285 A T H >5S+ 0 0 5 -3,-0.4 4,-2.3 -4,-0.3 -2,-0.2 0.976 123.3 39.2 -78.8 -59.1 10.9 12.4 5.2 274 286 A R H X5S+ 0 0 34 -4,-2.6 4,-1.4 1,-0.2 -3,-0.2 0.928 121.1 42.9 -58.6 -49.5 11.1 16.2 5.0 275 287 A S H < - 0 0 3 -2,-0.3 3,-2.0 86,-0.1 20,-0.1 -0.933 47.7-109.2-137.2 160.1 21.3 7.1 -3.2 284 296 A W T 3 S+ 0 0 12 1,-0.3 19,-0.1 -2,-0.3 -2,-0.0 0.732 123.1 54.0 -66.1 -22.7 24.5 5.1 -2.5 285 297 A D T 3 S- 0 0 91 1,-0.4 -1,-0.3 84,-0.1 84,-0.1 0.095 129.5 -83.2 -90.1 21.1 26.2 7.5 -4.8 286 298 A G < - 0 0 4 -3,-2.0 -1,-0.4 2,-0.0 84,-0.1 -0.207 64.8 -45.3 98.7 168.9 25.0 10.5 -2.7 287 299 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.334 50.6-161.1 -71.3 150.5 21.8 12.5 -2.6 288 300 A I E -M 281 0D 18 -7,-2.7 -7,-2.7 -2,-0.0 2,-0.8 -0.944 19.0-131.4-124.1 151.6 20.1 13.7 -5.8 289 301 A N E > -M 280 0D 73 -2,-0.3 3,-2.0 -9,-0.2 -9,-0.2 -0.914 16.9-161.1-102.8 109.1 17.6 16.4 -6.3 290 302 A I T 3 S+ 0 0 0 -11,-2.6 5,-0.1 -2,-0.8 -1,-0.1 0.635 83.1 70.0 -67.1 -16.5 14.9 14.8 -8.4 291 303 A R T 3 S+ 0 0 111 -12,-0.4 -1,-0.3 -13,-0.2 5,-0.1 0.708 73.6 113.5 -69.6 -18.0 13.4 18.2 -9.5 292 304 A N S X S- 0 0 84 -3,-2.0 3,-2.3 1,-0.2 4,-0.2 -0.302 77.1-124.6 -61.9 137.4 16.6 18.8 -11.6 293 305 A A G > S+ 0 0 59 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.715 103.2 75.3 -50.7 -26.4 15.9 18.9 -15.4 294 306 A R G 3 S+ 0 0 174 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.687 94.3 51.8 -69.6 -12.3 18.5 16.2 -16.0 295 307 A F G X S+ 0 0 5 -3,-2.3 3,-1.5 1,-0.2 -1,-0.3 0.433 76.5 101.4 -99.3 1.1 16.1 13.6 -14.6 296 308 A S T < S+ 0 0 58 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.754 99.8 21.0 -60.6 -25.2 13.1 14.5 -16.8 297 309 A E T 3 S+ 0 0 166 -3,-0.3 2,-0.7 -4,-0.3 -1,-0.3 0.092 90.2 127.7-126.4 23.0 13.7 11.6 -19.1 298 310 A D < - 0 0 21 -3,-1.5 19,-2.2 1,-0.2 20,-0.3 -0.703 36.1-172.0 -89.3 111.5 15.8 9.3 -16.9 299 311 A L + 0 0 143 -2,-0.7 -1,-0.2 17,-0.2 -4,-0.0 0.551 51.9 104.0 -85.3 -3.8 14.2 5.9 -16.8 300 312 A K S S- 0 0 114 15,-0.1 16,-2.8 1,-0.1 17,-0.2 -0.323 78.6-103.7 -69.5 155.0 16.4 4.5 -14.0 301 313 A P - 0 0 38 0, 0.0 14,-0.1 0, 0.0 3,-0.1 -0.274 41.0 -94.3 -69.4 168.2 15.1 4.1 -10.5 302 314 A L S S+ 0 0 0 12,-0.3 2,-0.4 1,-0.2 -21,-0.1 0.866 114.2 17.2 -51.5 -43.5 16.0 6.6 -7.8 303 315 A D S S- 0 0 2 3,-0.1 -1,-0.2 -20,-0.1 -20,-0.0 -0.998 72.6-137.3-137.6 140.4 18.8 4.3 -6.8 304 316 A S S S+ 0 0 90 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.623 102.6 29.6 -68.9 -25.0 20.3 1.4 -8.8 305 317 A E S S+ 0 0 88 -4,-0.0 -1,-0.2 2,-0.0 -22,-0.0 0.562 85.1 123.3-110.9 -21.7 20.6 -1.1 -5.9 306 318 A C - 0 0 13 1,-0.2 -3,-0.1 5,-0.0 35,-0.1 -0.184 47.0-156.4 -54.1 132.6 17.7 -0.0 -3.7 307 319 A H + 0 0 162 33,-0.1 -1,-0.2 4,-0.0 5,-0.1 0.341 50.4 125.2 -88.5 5.9 15.2 -2.9 -3.0 308 320 A C S > S- 0 0 10 1,-0.1 4,-1.6 29,-0.1 5,-0.2 -0.170 73.0-115.8 -72.8 163.3 12.3 -0.6 -2.2 309 321 A A H > S+ 0 0 51 1,-0.2 4,-1.1 2,-0.2 5,-0.2 0.850 114.0 58.9 -63.5 -29.7 9.0 -0.8 -4.0 310 322 A V H >> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 3,-0.7 0.952 108.1 43.9 -66.1 -47.6 9.4 2.6 -5.4 311 323 A C H 34 S+ 0 0 15 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.737 110.3 57.3 -71.8 -19.7 12.6 1.7 -7.2 312 324 A Q H 3< S+ 0 0 88 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.804 122.6 20.8 -73.1 -25.1 11.1 -1.6 -8.3 313 325 A K H << S+ 0 0 65 -4,-1.1 2,-0.3 -3,-0.7 -2,-0.2 0.792 111.4 52.4-121.2 -31.2 8.3 0.2 -10.1 314 326 A W < - 0 0 100 -4,-2.8 -12,-0.3 -5,-0.2 2,-0.2 -0.838 63.0-128.7-123.1 154.8 8.8 3.8 -11.0 315 327 A S > - 0 0 20 -2,-0.3 4,-2.4 -14,-0.1 5,-0.2 -0.552 25.3-116.9 -92.4 157.1 11.4 5.9 -12.8 316 328 A R H > S+ 0 0 36 -16,-2.8 4,-3.1 -18,-0.2 5,-0.2 0.900 116.6 59.5 -47.0 -43.6 13.2 9.0 -11.8 317 329 A A H > S+ 0 0 17 -19,-2.2 4,-1.9 -17,-0.2 -1,-0.2 0.894 106.9 44.5 -61.7 -40.3 11.5 10.7 -14.8 318 330 A Y H > S+ 0 0 87 -20,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.935 114.9 47.1 -69.8 -43.2 8.0 10.0 -13.3 319 331 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.900 109.5 55.7 -69.9 -33.9 9.0 11.0 -9.8 320 332 A H H X S+ 0 0 19 -4,-3.1 4,-2.8 -25,-0.2 -1,-0.2 0.931 109.0 47.2 -53.7 -50.4 10.5 14.1 -11.2 321 333 A H H X S+ 0 0 105 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.957 111.6 50.3 -58.0 -48.7 7.2 15.0 -12.9 322 334 A L H <>S+ 0 0 5 -4,-2.6 5,-2.5 2,-0.2 4,-0.5 0.921 113.8 44.1 -59.2 -46.4 5.2 14.3 -9.7 323 335 A I H ><5S+ 0 0 9 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.937 113.3 51.2 -67.1 -43.1 7.5 16.5 -7.6 324 336 A R H 3<5S+ 0 0 142 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.872 112.6 47.2 -53.4 -42.5 7.5 19.2 -10.2 325 337 A A T 3<5S- 0 0 57 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.470 111.4-121.4 -80.1 -5.7 3.8 19.1 -10.4 326 338 A G T < 5 + 0 0 68 -3,-1.3 2,-0.2 -4,-0.5 -3,-0.2 0.736 52.0 168.6 66.8 28.3 3.4 19.2 -6.6 327 339 A E >>< - 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