==== 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 04-JUL-03 1PXG . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR J.D.KITTENDORF,T.SGRAJA,K.REUTER,G.KLEBE,G.A.GARCIA . 365 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.5 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 . 4 1.1 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 1 1 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 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 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 0 224 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -23.8 33.8 -20.0 9.0 2 12 A P - 0 0 22 0, 0.0 3,-0.2 0, 0.0 183,-0.0 -0.484 360.0-115.1 -76.0 164.7 31.8 -18.2 6.2 3 13 A R S S- 0 0 69 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.923 96.6 -9.1 -56.5 -46.8 32.4 -14.5 5.5 4 14 A F + 0 0 28 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.885 64.1 160.2-160.9 127.2 28.8 -13.8 6.5 5 15 A S E -A 21 0A 41 16,-1.7 16,-2.6 -2,-0.3 2,-0.5 -0.875 14.3-167.2-146.8 111.4 25.8 -15.8 7.4 6 16 A F E -A 20 0A 27 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.897 12.4-177.8-100.1 126.6 22.8 -14.6 9.4 7 17 A S E -A 19 0A 57 12,-2.7 12,-1.9 -2,-0.5 2,-0.7 -0.987 19.6-145.5-126.3 129.9 20.4 -17.3 10.6 8 18 A I E +A 18 0A 51 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.871 17.3 178.0 -95.5 116.3 17.2 -16.7 12.5 9 19 A A E + 0 0 86 8,-1.9 2,-0.3 -2,-0.7 9,-0.2 0.728 64.7 3.2 -86.3 -29.2 16.6 -19.6 15.0 10 20 A A E -A 17 0A 24 7,-1.7 7,-2.4 2,-0.0 2,-0.3 -0.994 59.4-160.9-163.3 151.1 13.4 -18.3 16.6 11 21 A R E -A 16 0A 107 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.940 11.4-177.7-137.2 156.0 10.8 -15.5 16.5 12 22 A E E > S-A 15 0A 48 3,-2.0 3,-2.3 -2,-0.3 2,-0.1 -0.838 72.3 -46.0-151.9 112.0 8.1 -13.9 18.6 13 23 A G T 3 S- 0 0 74 1,-0.3 -1,-0.1 -2,-0.3 251,-0.1 -0.443 124.4 -23.1 61.3-134.9 6.1 -11.1 17.0 14 24 A K T 3 S+ 0 0 87 249,-0.6 -1,-0.3 -2,-0.1 2,-0.2 0.516 118.2 104.0 -82.3 -7.7 8.6 -8.8 15.3 15 25 A A E < -A 12 0A 2 -3,-2.3 -3,-2.0 248,-0.2 2,-0.3 -0.475 49.2-174.8 -79.9 147.3 11.4 -10.1 17.6 16 26 A R E -A 11 0A 3 250,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.974 12.0-164.8-136.6 151.3 14.1 -12.5 16.3 17 27 A T E +A 10 0A 8 -7,-2.4 -8,-1.9 -2,-0.3 -7,-1.7 -0.994 35.7 102.2-136.4 143.2 17.0 -14.4 17.9 18 28 A G E -AB 8 29A 8 11,-2.1 11,-2.9 -2,-0.4 2,-0.3 -0.880 55.0 -72.0-178.5-147.4 19.8 -16.1 16.0 19 29 A T E -AB 7 28A 41 -12,-1.9 -12,-2.7 -2,-0.3 2,-0.5 -0.986 11.4-148.9-143.7 145.9 23.4 -15.9 14.9 20 30 A I E -AB 6 27A 0 7,-2.5 7,-3.3 -2,-0.3 2,-0.5 -0.981 23.1-155.9-107.2 120.2 25.7 -14.1 12.6 21 31 A E E +AB 5 26A 67 -16,-2.6 -16,-1.7 -2,-0.5 2,-0.3 -0.896 22.1 163.5 -99.9 126.5 28.6 -16.3 11.5 22 32 A M E > - B 0 25A 3 3,-1.9 3,-1.1 -2,-0.5 -19,-0.2 -0.844 52.3 -97.4-132.1 168.9 31.7 -14.6 10.4 23 33 A K T 3 S+ 0 0 96 -20,-0.5 -20,-0.1 162,-0.3 3,-0.1 0.903 122.2 45.1 -57.6 -40.1 35.3 -15.6 9.9 24 34 A R T 3 S- 0 0 106 1,-0.2 2,-0.3 -21,-0.2 -1,-0.3 0.539 126.3 -57.1 -86.5 -2.7 36.4 -14.3 13.3 25 35 A G E < -B 22 0A 16 -3,-1.1 -3,-1.9 62,-0.2 2,-0.4 -0.884 57.7 -65.7 153.8 176.1 33.5 -15.7 15.3 26 36 A V E -B 21 0A 60 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.793 34.5-152.4 -98.9 138.7 29.8 -16.1 15.9 27 37 A I E -B 20 0A 0 -7,-3.3 -7,-2.5 -2,-0.4 2,-0.4 -0.946 10.2-141.4-114.5 121.0 27.7 -13.3 17.0 28 38 A R E -B 19 0A 76 -2,-0.6 -9,-0.2 -9,-0.2 27,-0.1 -0.639 32.0-110.2 -78.8 131.9 24.6 -14.0 19.1 29 39 A T E S+B 18 0A 0 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.2 -0.922 99.4 46.0-119.2 145.4 21.6 -11.9 18.3 30 40 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 238,-0.2 0.445 93.9-171.2 -61.3 136.6 20.1 -9.7 19.7 31 41 A A E -c 268 0B 4 236,-2.3 238,-1.9 -2,-0.2 2,-0.5 -0.885 26.7-154.2-112.7 140.5 23.6 -8.4 20.3 32 42 A F E -c 269 0B 2 -2,-0.3 23,-0.3 236,-0.2 24,-0.3 -0.990 16.6-155.6-110.4 123.1 25.0 -5.6 22.5 33 43 A M E -c 270 0B 0 236,-3.0 238,-1.6 -2,-0.5 24,-0.2 -0.885 9.0-140.1-102.7 109.7 28.3 -4.3 21.2 34 44 A P - 0 0 0 0, 0.0 24,-2.9 0, 0.0 2,-0.5 -0.326 29.3-117.5 -57.3 150.1 30.7 -2.6 23.8 35 45 A V E -d 58 0B 24 22,-0.2 2,-0.6 24,-0.1 7,-0.5 -0.806 20.3-159.2-101.8 132.2 32.3 0.4 22.2 36 46 A G E -d 59 0B 3 22,-3.7 24,-2.5 -2,-0.5 2,-0.4 -0.924 10.6-173.4-101.9 116.7 36.1 0.8 21.7 37 47 A T B > S+K 40 0C 25 3,-2.1 3,-0.8 -2,-0.6 24,-0.1 -0.946 75.6 3.8-107.7 136.8 37.2 4.3 21.3 38 48 A A T 3 S- 0 0 50 -2,-0.4 -1,-0.2 22,-0.3 23,-0.1 0.896 135.5 -58.3 53.7 40.3 40.9 4.9 20.4 39 49 A A T 3 S+ 0 0 16 21,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.756 120.1 90.1 62.1 35.4 41.3 1.1 20.2 40 50 A T B < S-K 37 0C 60 -3,-0.8 -3,-2.1 5,-0.0 2,-0.8 -0.955 73.8-131.5-155.2 135.3 40.3 0.3 23.7 41 51 A V > - 0 0 9 3,-0.5 3,-2.2 -2,-0.3 -5,-0.2 -0.855 63.3 -95.7 -78.5 111.5 37.0 -0.5 25.5 42 52 A K T 3 S- 0 0 130 -2,-0.8 -1,-0.1 -7,-0.5 3,-0.1 0.060 94.9 -7.6 -52.5 127.0 37.6 2.0 28.2 43 53 A A T 3 S+ 0 0 44 1,-0.1 2,-0.4 287,-0.1 -1,-0.3 0.574 112.3 100.4 71.6 12.0 39.1 0.6 31.4 44 54 A L < - 0 0 15 -3,-2.2 -3,-0.5 286,-0.1 -1,-0.1 -0.990 66.8-133.4-127.7 139.0 38.8 -3.1 30.3 45 55 A K >> - 0 0 135 -2,-0.4 4,-2.0 1,-0.1 3,-0.7 -0.491 36.0-112.6 -69.5 148.0 41.3 -5.6 28.9 46 56 A P H 3> S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.841 117.6 60.1 -55.3 -35.2 39.8 -7.4 25.9 47 57 A E H 3> S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.873 106.2 47.8 -61.7 -32.8 39.8 -10.7 27.9 48 58 A T H <> S+ 0 0 32 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.926 108.3 53.5 -72.8 -41.9 37.5 -9.0 30.4 49 59 A V H ><>S+ 0 0 2 -4,-2.0 5,-1.4 1,-0.2 3,-0.6 0.949 112.2 46.1 -55.4 -47.1 35.2 -7.6 27.6 50 60 A R H ><5S+ 0 0 81 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.884 106.7 58.7 -60.7 -41.7 34.9 -11.2 26.3 51 61 A A H 3<5S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.764 97.2 59.9 -63.8 -27.5 34.3 -12.5 29.9 52 62 A T T <<5S- 0 0 20 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.659 127.2-100.9 -73.1 -15.4 31.2 -10.4 30.2 53 63 A G T < 5 + 0 0 18 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.2 0.384 67.0 155.3 112.0 5.8 29.9 -12.2 27.2 54 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.401 21.8-174.5 -65.8 137.3 30.5 -9.8 24.4 55 65 A D S S+ 0 0 8 1,-0.3 2,-0.3 -23,-0.3 -1,-0.1 0.575 71.7 12.8-103.1 -17.5 30.8 -11.5 20.9 56 66 A I - 0 0 1 -24,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.974 64.9-152.6-156.1 150.0 31.7 -8.3 19.0 57 67 A I E - e 0 89B 2 31,-1.4 33,-2.5 -2,-0.3 2,-0.5 -0.879 20.1-120.0-123.0 160.5 32.8 -4.8 19.8 58 68 A L E -de 35 90B 1 -24,-2.9 -22,-3.7 -2,-0.3 2,-0.6 -0.869 19.4-152.9 -99.2 134.6 32.4 -1.5 17.9 59 69 A G E -de 36 91B 5 31,-3.0 33,-1.9 -2,-0.5 2,-0.3 -0.917 13.5-136.0-103.7 121.6 35.5 0.4 16.9 60 70 A N - 0 0 13 -24,-2.5 4,-0.5 -2,-0.6 -22,-0.3 -0.728 14.4-164.1 -74.6 134.5 35.1 4.2 16.5 61 71 A T S > S+ 0 0 0 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.768 76.0 66.9 -86.9 -49.0 36.9 5.2 13.2 62 72 A Y H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.924 104.3 41.1 -50.3 -55.7 37.1 9.0 13.8 63 73 A H H >> S+ 0 0 30 1,-0.2 4,-4.7 2,-0.2 3,-0.6 0.934 115.0 51.6 -67.1 -39.4 39.5 8.9 16.7 64 74 A L H 34>S+ 0 0 2 -4,-0.5 5,-3.2 1,-0.3 -1,-0.2 0.844 104.3 55.6 -66.3 -32.5 41.7 6.1 15.2 65 75 A M H 3<5S+ 0 0 17 -4,-2.7 5,-0.3 4,-0.2 -1,-0.3 0.847 119.1 35.2 -71.9 -21.9 42.1 7.9 11.9 66 76 A L H <<5S+ 0 0 30 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.828 123.0 48.4 -88.1 -47.6 43.4 10.8 14.0 67 77 A R T <5S- 0 0 53 -4,-4.7 -1,-0.3 -5,-0.2 -2,-0.2 -0.901 133.6 -6.2-148.7 120.5 45.2 8.7 16.6 68 78 A P T 5S- 0 0 35 0, 0.0 -1,-0.2 0, 0.0 -3,-0.2 -0.977 103.6-121.9 -88.2 -1.5 47.0 6.5 16.0 69 79 A G >< - 0 0 15 -5,-3.2 4,-1.9 -6,-0.1 -4,-0.2 0.149 13.8-110.9 106.0 139.0 46.2 6.8 12.2 70 80 A A H > S+ 0 0 1 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.908 115.3 52.2 -69.2 -41.7 44.7 4.1 9.9 71 81 A E H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 109.7 50.3 -58.2 -44.0 47.8 3.6 7.9 72 82 A R H > S+ 0 0 165 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 108.6 51.4 -64.6 -40.3 49.9 3.1 11.0 73 83 A I H <>S+ 0 0 0 -4,-1.9 5,-3.2 1,-0.2 4,-0.3 0.950 110.0 49.9 -63.1 -40.0 47.4 0.5 12.5 74 84 A A H ><5S+ 0 0 36 -4,-2.4 3,-1.7 3,-0.2 -2,-0.2 0.940 108.5 52.2 -64.8 -40.6 47.6 -1.4 9.2 75 85 A K H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.885 108.9 52.3 -61.8 -34.9 51.4 -1.4 9.2 76 86 A L T 3<5S- 0 0 98 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.417 133.5 -86.8 -84.0 2.3 51.3 -2.8 12.8 77 87 A G T < 5S- 0 0 55 -3,-1.7 4,-0.4 -4,-0.3 -3,-0.2 0.473 72.0 -74.0 115.3 1.4 49.0 -5.6 11.8 78 88 A G >< - 0 0 9 -5,-3.2 4,-2.4 -6,-0.2 60,-0.2 -0.124 58.5 -67.9 96.9 167.0 45.5 -4.2 12.0 79 89 A L H > S+ 0 0 2 58,-2.6 4,-2.6 1,-0.2 5,-0.3 0.889 124.5 57.9 -65.0 -41.5 43.2 -3.3 14.9 80 90 A H H >>S+ 0 0 8 57,-0.5 4,-1.6 1,-0.2 5,-1.3 0.966 114.5 36.3 -59.1 -49.1 42.5 -6.8 16.2 81 91 A S H 45S+ 0 0 78 -4,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.918 114.9 57.2 -72.0 -35.2 46.2 -7.5 16.8 82 92 A F H <5S+ 0 0 90 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.936 120.9 26.3 -58.3 -49.2 47.0 -3.9 17.9 83 93 A M H <5S- 0 0 30 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.589 108.6-116.4 -95.2 -10.1 44.4 -4.0 20.8 84 94 A G T <5S+ 0 0 53 -4,-1.6 2,-0.5 -5,-0.3 -3,-0.2 0.826 70.2 129.5 77.9 34.6 44.3 -7.8 21.4 85 95 A W < - 0 0 9 -5,-1.3 -1,-0.2 -6,-0.3 -2,-0.2 -0.991 29.9-179.8-116.6 118.4 40.7 -8.5 20.4 86 96 A D + 0 0 109 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.331 53.7 83.2-104.3 8.1 40.5 -11.4 17.9 87 97 A R S S- 0 0 68 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.370 95.0 -52.1-102.1 178.0 36.7 -11.6 17.4 88 98 A P - 0 0 0 0, 0.0 -31,-1.4 0, 0.0 2,-0.4 -0.131 48.9-163.7 -56.0 146.1 34.5 -9.5 15.1 89 99 A I E -e 57 0B 1 -33,-0.2 52,-2.1 49,-0.2 51,-1.9 -0.999 7.1-154.6-127.5 126.8 34.8 -5.8 15.1 90 100 A L E -ef 58 141B 0 -33,-2.5 -31,-3.0 -2,-0.4 2,-0.4 -0.910 16.7-155.4 -93.1 129.4 32.1 -3.5 13.6 91 101 A T E -ef 59 142B 0 50,-2.7 52,-0.8 -2,-0.5 -31,-0.2 -0.868 9.1-132.6-107.5 140.1 33.6 -0.1 12.6 92 102 A D - 0 0 19 -33,-1.9 51,-0.1 -2,-0.4 53,-0.1 -0.334 24.9-115.7 -79.8 172.1 31.6 3.0 12.3 93 103 A S - 0 0 6 51,-0.2 40,-0.1 49,-0.1 -1,-0.1 0.682 38.3-123.0 -85.2 -17.9 32.1 5.2 9.2 94 104 A G S > S+ 0 0 1 31,-0.0 4,-2.2 4,-0.0 5,-0.1 0.126 84.3 107.0 96.3 -15.7 33.5 8.1 11.1 95 105 A G H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.872 72.5 56.0 -62.0 -41.6 30.9 10.6 9.8 96 106 A Y H > S+ 0 0 141 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.957 112.5 40.7 -56.5 -55.3 29.0 10.9 13.0 97 107 A Q H >>S+ 0 0 28 2,-0.2 4,-3.8 1,-0.2 5,-0.5 0.799 109.7 58.9 -70.9 -33.0 32.0 11.9 15.1 98 108 A V H X5S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.993 113.2 39.5 -48.4 -62.7 33.4 14.2 12.4 99 109 A M H <5S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.725 125.5 38.3 -64.7 -20.5 30.2 16.2 12.5 100 110 A S H <5S+ 0 0 66 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.783 131.5 19.9-103.0 -25.6 29.9 16.0 16.2 101 111 A L H <5S+ 0 0 63 -4,-3.8 16,-0.3 -5,-0.1 -3,-0.2 0.447 104.9 80.6-121.7 -3.9 33.5 16.3 17.4 102 112 A S << - 0 0 22 -4,-2.5 2,-0.3 -5,-0.5 14,-0.2 -0.452 64.1-128.1-104.1-178.5 35.5 17.9 14.7 103 113 A S E S+L 115 0D 63 12,-3.3 12,-3.3 1,-0.2 -2,-0.1 -0.802 72.7 15.4-125.9 168.3 35.9 21.5 13.6 104 114 A L E S- 0 0 81 -2,-0.3 2,-0.2 10,-0.2 -1,-0.2 0.798 76.1-177.8 44.1 37.9 35.8 23.7 10.5 105 115 A T E - 0 0 51 -3,-0.2 2,-0.5 9,-0.1 9,-0.2 -0.561 14.2-164.4 -71.3 134.4 33.9 20.9 8.7 106 116 A K E -L 113 0D 52 7,-2.2 7,-2.2 -2,-0.2 2,-0.2 -0.995 10.9-157.3-119.8 111.0 33.1 21.7 5.0 107 117 A Q E +L 112 0D 92 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.616 22.8 146.8 -93.4 148.2 30.5 19.4 3.6 108 118 A S E > -L 111 0D 51 3,-1.8 3,-0.8 -2,-0.2 -2,-0.0 -0.972 61.1 -83.2-165.5 177.3 29.9 18.6 -0.1 109 119 A E T 3 S+ 0 0 67 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.824 125.5 53.6 -61.4 -30.2 28.8 15.8 -2.5 110 120 A E T 3 S- 0 0 137 1,-0.2 2,-0.3 16,-0.1 -1,-0.3 0.857 122.1 -93.8 -71.9 -33.1 32.2 14.4 -2.5 111 121 A G E < -L 108 0D 0 -3,-0.8 -3,-1.8 15,-0.2 2,-0.4 -0.993 51.7 -47.5 154.0-147.4 32.4 14.1 1.4 112 122 A V E -LM 107 125D 4 13,-3.7 13,-3.0 -2,-0.3 2,-0.4 -0.962 30.7-163.9-130.8 141.6 33.6 16.1 4.3 113 123 A T E +LM 106 124D 60 -7,-2.2 -7,-2.2 -2,-0.4 2,-0.3 -0.943 26.6 157.5-115.4 149.8 36.8 17.9 5.1 114 124 A F E - 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0 0 105 -5,-2.5 3,-1.3 -6,-0.2 4,-1.1 -0.526 43.5-132.2 -79.2 137.6 40.4 5.9 41.6 323 340 A I H 3> S+ 0 0 125 -2,-0.3 4,-2.4 1,-0.3 3,-0.4 0.898 105.2 62.6 -57.1 -39.0 40.9 4.1 38.3 324 341 A L H 3> S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.830 96.6 61.0 -58.7 -25.5 39.8 0.8 39.8 325 342 A G H <> S+ 0 0 0 -3,-1.3 4,-2.6 -8,-0.3 5,-0.3 0.952 107.1 43.7 -67.0 -40.6 36.4 2.4 40.4 326 343 A A H X S+ 0 0 43 -4,-1.1 4,-2.6 -3,-0.4 5,-0.3 0.925 113.0 52.8 -66.5 -42.9 36.1 3.0 36.6 327 344 A M H X S+ 0 0 73 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.934 114.3 41.1 -56.5 -51.1 37.3 -0.5 35.9 328 345 A L H X S+ 0 0 6 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.925 114.6 50.0 -69.6 -41.7 34.8 -2.1 38.2 329 346 A M H X S+ 0 0 11 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.942 113.3 47.6 -62.9 -41.6 31.8 0.0 37.3 330 347 A T H X S+ 0 0 41 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.906 110.0 50.4 -67.9 -39.8 32.5 -0.6 33.6 331 348 A E H X S+ 0 0 35 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.962 113.5 46.9 -64.0 -46.0 32.9 -4.4 33.9 332 349 A H H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.935 112.7 48.3 -59.3 -51.3 29.6 -4.6 35.9 333 350 A N H X S+ 0 0 28 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.940 113.3 45.9 -61.0 -42.5 27.6 -2.4 33.5 334 351 A I H X S+ 0 0 7 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.904 114.3 49.8 -68.6 -32.4 28.8 -4.3 30.3 335 352 A A H X S+ 0 0 5 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.923 107.6 53.8 -67.0 -41.4 28.1 -7.6 32.1 336 353 A F H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.942 109.1 49.0 -59.2 -46.6 24.7 -6.4 33.0 337 354 A Y H X S+ 0 0 9 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.906 110.1 50.3 -61.3 -38.7 23.9 -5.5 29.4 338 355 A Q H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.900 109.9 50.6 -67.8 -37.6 25.2 -8.9 28.2 339 356 A Q H X S+ 0 0 29 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.890 109.2 52.1 -63.6 -38.8 22.9 -10.6 30.8 340 357 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.958 110.7 47.7 -56.8 -50.3 20.0 -8.5 29.5 341 358 A M H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.896 110.5 51.8 -61.0 -38.7 20.8 -9.7 26.0 342 359 A Q H X S+ 0 0 61 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.903 109.7 48.4 -63.9 -39.9 21.0 -13.3 27.1 343 360 A K H X S+ 0 0 77 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.850 112.6 50.5 -68.3 -34.2 17.6 -13.1 28.8 344 361 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.962 112.3 45.7 -67.9 -50.0 16.2 -11.5 25.7 345 362 A R H X S+ 0 0 11 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.939 115.7 46.3 -59.5 -47.6 17.6 -14.3 23.4 346 363 A D H X S+ 0 0 65 -4,-2.8 4,-1.4 -5,-0.2 -1,-0.2 0.910 111.2 51.0 -64.3 -41.2 16.4 -17.0 25.7 347 364 A S H <>S+ 0 0 0 -4,-2.3 5,-3.1 2,-0.2 6,-0.5 0.876 111.9 47.8 -68.7 -33.1 12.9 -15.6 26.2 348 365 A I H ><5S+ 0 0 2 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.927 110.2 51.4 -69.6 -43.8 12.5 -15.3 22.4 349 366 A S H 3<5S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.760 114.5 44.7 -60.0 -27.0 13.7 -18.8 21.8 350 367 A E T 3<5S- 0 0 123 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.255 113.2-118.0-100.3 2.9 11.2 -20.0 24.5 351 368 A G T < 5S+ 0 0 50 -3,-1.2 -3,-0.2 -4,-0.2 -4,-0.1 0.843 88.7 104.8 67.0 32.7 8.3 -17.8 23.1 352 369 A R >< + 0 0 106 -5,-3.1 4,-2.2 -6,-0.2 -4,-0.2 0.005 33.8 115.0-129.9 29.4 8.0 -15.8 26.3 353 370 A F H > S+ 0 0 5 -6,-0.5 4,-3.1 2,-0.2 5,-0.2 0.886 74.4 55.4 -69.5 -39.9 9.6 -12.5 25.3 354 371 A S H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 111.0 46.4 -60.2 -39.5 6.5 -10.5 25.6 355 372 A Q H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.929 110.8 52.0 -66.5 -44.1 6.2 -11.7 29.1 356 373 A F H X S+ 0 0 25 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.915 108.2 52.3 -55.6 -45.6 9.9 -11.0 29.8 357 374 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.912 111.3 46.3 -59.4 -42.1 9.4 -7.4 28.5 358 375 A Q H X S+ 0 0 123 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.964 114.9 45.2 -62.1 -53.5 6.5 -6.8 30.8 359 376 A D H X S+ 0 0 91 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.907 111.8 53.0 -59.8 -45.0 8.2 -8.3 33.9 360 377 A F H X S+ 0 0 8 -4,-3.1 4,-2.8 -5,-0.3 5,-0.3 0.967 111.9 45.0 -55.9 -52.3 11.5 -6.4 33.1 361 378 A R H X S+ 0 0 63 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.884 108.1 57.2 -64.0 -36.3 9.7 -3.1 32.9 362 379 A A H < S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 117.4 33.9 -61.9 -39.4 7.6 -3.7 36.0 363 380 A R H >< S+ 0 0 83 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.905 114.7 55.0 -85.7 -33.5 10.6 -4.2 38.1 364 381 A Y H 3< S+ 0 0 19 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.820 120.8 32.0 -70.0 -30.8 13.1 -1.8 36.4 365 382 A F T 3< 0 0 122 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.286 360.0 360.0-107.1 10.9 10.7 1.2 36.9 366 383 A A < 0 0 114 -3,-0.6 -3,-0.1 -4,-0.2 -4,-0.0 -0.232 360.0 360.0 -57.1 360.0 9.1 0.0 40.1