==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-FEB-12 4DXX . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR S.JAKOBI,T.RITSCHEL,A.HEINE,G.KLEBE . 371 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.2 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 1 1 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 . 0 1 1 1 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 0 162 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 153.5 8.6 -8.5 26.1 2 12 A P - 0 0 52 0, 0.0 3,-0.2 0, 0.0 182,-0.0 -0.343 360.0-109.7 -77.4 165.8 10.2 -6.5 28.9 3 13 A R S S- 0 0 70 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.919 99.5 -9.4 -55.3 -46.3 9.6 -2.8 29.5 4 14 A F + 0 0 27 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.895 63.6 163.0-161.9 124.4 13.2 -2.1 28.3 5 15 A S E -A 21 0A 53 16,-1.4 16,-2.9 -2,-0.3 2,-0.6 -0.864 13.4-167.1-146.2 115.0 16.2 -4.2 27.5 6 16 A F E -A 20 0A 28 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.886 11.9-177.4-102.2 122.2 19.2 -2.9 25.5 7 17 A S E -A 19 0A 66 12,-2.7 12,-2.4 -2,-0.6 2,-0.6 -0.984 18.2-146.6-123.2 129.2 21.5 -5.6 24.3 8 18 A I E +A 18 0A 48 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.867 17.4 177.3 -97.0 116.7 24.8 -5.0 22.3 9 19 A A E + 0 0 85 8,-1.9 2,-0.3 -2,-0.6 9,-0.2 0.765 64.5 5.3 -89.4 -31.9 25.4 -7.8 19.9 10 20 A A E -A 17 0A 24 7,-1.9 7,-2.5 2,-0.0 2,-0.3 -0.994 58.8-163.3-155.4 153.9 28.6 -6.5 18.2 11 21 A R E -A 16 0A 112 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.966 9.2-176.6-138.6 153.0 31.1 -3.6 18.4 12 22 A E E > S-A 15 0A 46 3,-2.2 3,-2.2 -2,-0.3 2,-0.2 -0.838 71.5 -47.8-151.3 111.1 33.8 -2.1 16.3 13 23 A G T 3 S- 0 0 74 -2,-0.3 -1,-0.1 1,-0.3 250,-0.1 -0.465 124.8 -21.8 58.7-128.2 35.8 0.7 17.9 14 24 A K T 3 S+ 0 0 88 248,-0.5 -1,-0.3 -2,-0.2 2,-0.1 0.596 118.4 103.1 -82.8 -11.9 33.3 3.0 19.5 15 25 A A E < -A 12 0A 1 -3,-2.2 -3,-2.2 247,-0.2 2,-0.3 -0.436 50.1-173.7 -79.3 145.6 30.5 1.8 17.2 16 26 A R E -A 11 0A 2 249,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.965 12.3-166.3-134.2 151.4 27.9 -0.7 18.5 17 27 A T E +A 10 0A 8 -7,-2.5 -7,-1.9 -2,-0.3 -8,-1.9 -0.997 35.1 105.5-135.2 142.3 25.0 -2.6 17.0 18 28 A G E -AB 8 29A 7 11,-1.9 11,-2.7 -2,-0.4 2,-0.3 -0.868 54.1 -76.3-176.1-149.6 22.3 -4.4 18.9 19 29 A T E -AB 7 28A 48 -12,-2.4 -12,-2.7 -2,-0.3 2,-0.5 -0.986 11.6-148.0-142.0 148.7 18.6 -4.2 19.9 20 30 A I E -AB 6 27A 0 7,-2.5 7,-2.9 -2,-0.3 2,-0.5 -0.983 21.6-156.5-112.3 119.4 16.3 -2.5 22.3 21 31 A E E +AB 5 26A 78 -16,-2.9 -16,-1.4 -2,-0.5 2,-0.3 -0.864 22.0 163.6 -97.1 124.5 13.4 -4.7 23.3 22 32 A M E > - B 0 25A 0 3,-2.2 3,-1.2 -2,-0.5 -19,-0.2 -0.826 51.9 -96.8-131.5 172.0 10.2 -2.9 24.5 23 33 A K T 3 S+ 0 0 89 -20,-0.5 -20,-0.1 161,-0.3 3,-0.1 0.887 122.5 44.1 -61.0 -38.1 6.6 -4.0 25.0 24 34 A R T 3 S- 0 0 98 1,-0.2 2,-0.3 -21,-0.1 -1,-0.3 0.457 126.9 -57.2 -89.0 -1.5 5.5 -2.7 21.6 25 35 A G E < -B 22 0A 1 -3,-1.2 -3,-2.2 61,-0.2 2,-0.4 -0.878 57.9 -66.1 153.5 179.6 8.4 -4.1 19.6 26 36 A V E -B 21 0A 46 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.818 33.7-152.7-103.3 140.1 12.1 -4.5 19.0 27 37 A I E -B 20 0A 0 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.4 -0.958 11.2-141.9-112.9 121.8 14.3 -1.6 17.8 28 38 A R E -B 19 0A 79 -2,-0.5 -9,-0.2 -9,-0.2 26,-0.1 -0.665 32.7-109.1 -82.7 133.1 17.4 -2.4 15.8 29 39 A T E S+B 18 0A 0 -11,-2.7 -11,-1.9 -2,-0.4 2,-0.1 -0.911 100.1 46.2-120.0 146.3 20.4 -0.1 16.6 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 237,-0.2 0.431 94.0-173.6 -64.2 140.1 21.9 2.0 15.2 31 41 A A E -c 267 0B 4 235,-2.3 237,-1.7 -2,-0.1 2,-0.5 -0.886 27.8-152.2-116.3 138.9 18.4 3.2 14.5 32 42 A F E -c 268 0B 2 -2,-0.4 22,-0.3 235,-0.2 23,-0.3 -0.967 16.3-157.8-106.1 127.9 17.0 6.0 12.5 33 43 A M E -c 269 0B 0 235,-2.6 237,-0.6 -2,-0.5 23,-0.2 -0.901 10.1-141.4-106.9 105.5 13.6 7.2 13.8 34 44 A P E -c 270 0B 0 0, 0.0 23,-2.8 0, 0.0 2,-0.8 -0.350 25.4-111.4 -60.5 147.7 11.4 9.0 11.3 35 45 A V B -d 57 0B 9 235,-0.5 6,-0.3 21,-0.2 23,-0.2 -0.747 35.0-176.3 -82.6 110.4 9.5 12.0 12.6 36 46 A G 0 0 8 21,-2.5 5,-1.0 -2,-0.8 22,-0.2 0.850 360.0 360.0 -78.2 -38.5 5.9 10.9 12.6 37 47 A T 0 0 21 20,-1.2 22,-2.8 3,-0.2 -1,-0.3 -0.961 360.0 360.0-146.0 360.0 4.3 14.1 13.8 38 ! 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 39 50 A T 0 0 158 0, 0.0 2,-0.4 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 178.4 4.0 18.6 9.9 40 51 A V - 0 0 99 -3,-0.2 -3,-0.2 234,-0.0 -4,-0.1 -0.934 360.0 -96.7-116.4 140.9 3.0 15.0 9.5 41 52 A M - 0 0 20 -5,-1.0 2,-1.4 -2,-0.4 292,-0.1 -0.257 26.3-123.8 -54.1 140.7 4.7 12.6 7.1 42 53 A A S S+ 0 0 40 290,-0.2 2,-0.4 232,-0.1 -1,-0.2 -0.151 85.3 97.0 -75.3 41.5 3.0 12.2 3.7 43 54 A L S S- 0 0 25 -2,-1.4 -2,-0.1 -7,-0.1 291,-0.0 -0.997 74.4-126.1-140.2 134.7 3.0 8.5 4.6 44 55 A K >> - 0 0 137 -2,-0.4 4,-2.2 1,-0.1 3,-0.8 -0.466 37.8-111.4 -66.7 149.3 0.6 5.9 6.1 45 56 A P H 3> S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.859 118.5 57.8 -49.6 -41.4 2.1 4.0 9.1 46 57 A E H 3> S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.845 107.2 47.9 -61.2 -34.9 2.2 0.8 7.0 47 58 A T H <> S+ 0 0 32 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.911 109.5 51.9 -72.5 -42.7 4.4 2.5 4.5 48 59 A V H <>S+ 0 0 4 -4,-2.2 5,-1.4 1,-0.2 4,-0.5 0.933 112.3 46.9 -57.5 -44.9 6.7 3.9 7.2 49 60 A R H ><5S+ 0 0 80 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.909 106.6 58.0 -61.9 -41.2 7.0 0.4 8.5 50 61 A A H 3<5S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.805 97.5 61.1 -62.4 -29.0 7.7 -1.0 5.0 51 62 A T T 3<5S- 0 0 18 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.686 127.1 -99.2 -70.5 -17.3 10.7 1.3 4.6 52 63 A G T < 5 + 0 0 17 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.1 0.402 68.9 152.4 115.8 2.1 12.2 -0.5 7.7 53 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.432 22.6-175.6 -67.7 134.3 11.4 1.9 10.6 54 65 A D S S+ 0 0 8 -22,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.545 72.6 13.3-101.0 -16.7 11.1 0.2 14.0 55 66 A I - 0 0 1 -23,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.974 65.8-152.4-157.6 148.5 10.1 3.3 15.9 56 67 A I E - e 0 88B 8 31,-1.4 33,-2.4 -2,-0.3 2,-0.4 -0.888 17.9-122.3-123.9 162.2 8.9 6.8 15.0 57 68 A L E -de 35 89B 1 -23,-2.8 -21,-2.5 -2,-0.3 -20,-1.2 -0.833 16.5-161.2-103.0 140.3 9.2 10.1 16.9 58 69 A G E - e 0 90B 1 31,-2.7 33,-1.8 -2,-0.4 2,-0.7 -0.978 19.0-130.5-115.9 135.8 6.3 12.3 17.9 59 70 A N > - 0 0 18 -22,-2.8 4,-2.2 -2,-0.4 5,-0.2 -0.770 11.1-160.6 -88.6 116.3 6.9 16.0 18.8 60 71 A T H > S+ 0 0 0 -2,-0.7 4,-2.3 31,-0.3 5,-0.2 0.842 87.7 57.2 -63.5 -36.8 5.3 17.0 22.1 61 72 A Y H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.955 111.4 40.9 -61.2 -49.2 5.2 20.7 21.4 62 73 A H H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.914 115.9 50.5 -68.4 -37.7 3.2 20.3 18.2 63 74 A L H <>S+ 0 0 9 -4,-2.2 5,-2.3 1,-0.2 -1,-0.2 0.828 105.3 55.5 -69.8 -33.1 0.9 17.7 19.7 64 75 A M H <5S+ 0 0 17 -4,-2.3 5,-0.3 4,-0.2 -1,-0.2 0.819 110.9 46.5 -71.4 -26.5 0.1 19.8 22.8 65 76 A L H <5S+ 0 0 28 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.905 117.8 43.7 -78.6 -45.9 -1.0 22.6 20.5 66 77 A R T <5S- 0 0 174 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.921 131.0 -5.8-155.6 131.6 -3.1 20.4 18.3 67 78 A P T 5S- 0 0 39 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 -0.999 103.5-121.6 -83.1 -3.6 -5.0 18.2 18.8 68 79 A G >< - 0 0 14 -5,-2.3 4,-2.2 -6,-0.1 -4,-0.2 0.048 11.8-107.6 108.6 139.9 -4.1 18.5 22.5 69 80 A A H > S+ 0 0 1 -5,-0.3 4,-2.3 1,-0.2 5,-0.2 0.918 117.6 48.9 -68.2 -44.5 -2.6 15.9 24.9 70 81 A E H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 111.4 51.2 -61.1 -39.7 -5.8 15.4 26.9 71 82 A R H > S+ 0 0 158 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.931 108.3 50.9 -65.2 -45.5 -7.8 14.9 23.7 72 83 A I H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 4,-0.2 0.922 110.4 50.5 -58.0 -42.0 -5.3 12.3 22.4 73 84 A A H ><5S+ 0 0 38 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.914 108.1 51.9 -61.2 -43.9 -5.6 10.4 25.7 74 85 A K H 3<5S+ 0 0 181 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.847 108.2 53.1 -60.7 -32.8 -9.4 10.5 25.5 75 86 A L T 3<5S- 0 0 92 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.408 132.5 -89.9 -87.4 2.1 -9.2 9.1 22.0 76 87 A G T < 5S- 0 0 55 -3,-1.6 4,-0.4 -4,-0.2 -3,-0.2 0.514 72.1 -67.4 108.6 4.8 -7.0 6.2 23.2 77 88 A G >< - 0 0 9 -5,-2.7 4,-2.3 -6,-0.2 60,-0.2 -0.121 61.0 -69.9 101.0 166.4 -3.4 7.5 22.9 78 89 A L H > S+ 0 0 3 58,-2.9 4,-2.7 1,-0.2 5,-0.4 0.863 125.6 56.5 -65.2 -37.1 -1.2 8.4 20.1 79 90 A H H >>S+ 0 0 10 57,-0.5 4,-2.1 1,-0.2 5,-1.2 0.942 113.7 39.6 -60.8 -47.2 -0.6 4.9 18.8 80 91 A S H 45S+ 0 0 86 -4,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.898 115.0 54.0 -68.6 -40.0 -4.4 4.3 18.3 81 92 A F H <5S+ 0 0 100 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.939 120.6 28.7 -61.1 -51.3 -4.9 7.8 17.0 82 93 A M H <5S- 0 0 49 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.736 106.1-119.2 -83.6 -26.8 -2.3 7.6 14.2 83 94 A G T <5 + 0 0 49 -4,-2.1 2,-0.5 -5,-0.4 -3,-0.2 0.772 68.9 130.3 86.4 29.9 -2.5 3.9 13.6 84 95 A W < - 0 0 9 -5,-1.2 -1,-0.3 -6,-0.3 -2,-0.2 -0.976 31.2-177.9-114.8 118.9 1.2 3.1 14.4 85 96 A D + 0 0 115 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.402 54.0 84.0-102.5 3.3 1.4 0.2 16.8 86 97 A R S S- 0 0 72 1,-0.2 -61,-0.2 -7,-0.1 -31,-0.1 -0.269 95.4 -53.4 -94.3-179.8 5.2 -0.0 17.3 87 98 A P - 0 0 0 0, 0.0 -31,-1.4 0, 0.0 2,-0.4 -0.227 50.2-162.8 -59.1 147.7 7.3 2.0 19.7 88 99 A I E -e 56 0B 0 -33,-0.2 52,-2.0 49,-0.2 51,-1.9 -0.997 5.5-155.4-126.0 134.1 7.1 5.8 19.7 89 100 A L E -ef 57 140B 0 -33,-2.4 -31,-2.7 -2,-0.4 2,-0.5 -0.933 13.4-152.4-104.1 134.5 9.6 8.2 21.2 90 101 A T E -ef 58 141B 0 50,-2.6 52,-0.9 -2,-0.5 -31,-0.2 -0.919 9.0-133.9-109.6 132.4 8.3 11.6 22.2 91 102 A D - 0 0 20 -33,-1.8 -31,-0.3 -2,-0.5 51,-0.1 -0.274 24.4-120.3 -63.3 165.0 10.4 14.7 22.4 92 103 A S - 0 0 0 51,-0.2 -1,-0.1 -32,-0.1 40,-0.1 0.716 39.7-113.7 -86.4 -19.9 10.0 16.8 25.5 93 104 A G S > S+ 0 0 0 -33,-0.0 4,-1.2 31,-0.0 51,-0.1 0.294 81.1 120.3 105.4 -4.3 8.8 19.9 23.7 94 105 A G H >> + 0 0 8 1,-0.2 4,-1.7 2,-0.2 3,-0.9 0.941 67.4 40.0 -61.5 -67.1 11.9 21.9 24.7 95 106 A Y H 3> S+ 0 0 95 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.818 114.9 55.4 -57.2 -32.9 13.8 23.1 21.6 96 107 A Q H 3>>S+ 0 0 30 2,-0.2 4,-2.9 1,-0.2 5,-0.9 0.782 103.5 54.1 -74.7 -27.7 10.6 23.9 19.8 97 108 A V H - 0 0 4 5,-3.1 4,-1.2 -2,-0.4 -14,-0.1 -0.243 13.4-141.6 -56.0 143.6 1.4 29.4 20.5 116 127 A H T 4 S+ 0 0 79 2,-0.1 -1,-0.1 1,-0.1 -15,-0.1 0.511 100.2 55.4 -83.5 -5.7 2.9 30.2 17.1 117 128 A L T 4 S- 0 0 74 3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.859 134.5 -9.9 -92.6 -43.7 -0.4 29.1 15.6 118 129 A D T 4 S- 0 0 116 2,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.288 88.4-108.5-144.0 8.4 -3.0 31.3 17.4 119 130 A G < + 0 0 49 -4,-1.2 -3,-0.1 1,-0.2 2,-0.1 0.637 62.6 155.5 70.2 14.1 -1.2 33.1 20.3 120 131 A S - 0 0 43 -6,-0.1 -5,-3.1 1,-0.1 2,-0.3 -0.425 45.7-108.6 -70.0 149.7 -2.9 31.0 22.9 121 132 A R E +L 114 0C 91 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.604 42.0 171.6 -87.2 141.1 -1.1 30.7 26.2 122 133 A H E -L 113 0C 51 -9,-2.7 -9,-2.5 -2,-0.3 2,-0.3 -0.949 19.3-146.1-143.4 163.6 0.6 27.5 27.4 123 134 A M E -L 112 0C 89 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.971 9.3-175.3-132.7 146.6 2.9 26.1 30.1 124 135 A L E +L 111 0C 0 -13,-2.4 -13,-3.2 -2,-0.3 3,-0.1 -0.978 13.1 157.6-143.9 129.2 5.6 23.5 30.1 125 136 A S > - 0 0 15 -2,-0.4 4,-2.9 -15,-0.3 5,-0.3 -0.851 57.7 -94.6-137.6 167.6 7.6 22.2 33.1 126 137 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.948 127.9 44.9 -49.3 -48.1 9.4 19.0 33.8 127 138 A E H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.903 114.8 45.8 -64.8 -43.9 6.3 17.6 35.5 128 139 A R H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.864 111.7 53.0 -71.2 -34.1 3.8 18.8 32.8 129 140 A S H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.933 110.6 46.4 -65.0 -45.4 6.1 17.5 30.0 130 141 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.912 112.8 51.4 -62.0 -40.5 6.3 14.1 31.6 131 142 A E H X S+ 0 0 68 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.924 109.2 49.5 -62.3 -45.2 2.5 14.2 32.1 132 143 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.926 109.6 51.0 -60.6 -44.6 1.9 15.1 28.4 133 144 A Q H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.9 0.878 110.3 51.0 -63.2 -33.3 4.1 12.3 27.2 134 145 A H H ><5S+ 0 0 58 -4,-2.0 3,-0.6 2,-0.2 -2,-0.2 0.931 107.7 51.5 -65.3 -45.9 2.1 9.9 29.5 135 146 A L H 3<5S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.847 109.0 51.2 -60.9 -33.8 -1.2 11.1 28.0 136 147 A L H 3<5S- 0 0 0 -4,-2.1 -58,-2.9 -5,-0.2 -57,-0.5 0.738 112.4-124.6 -73.5 -23.4 0.2 10.5 24.5 137 148 A G T <<5 - 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0 0 91 -4,-2.8 -12,-0.4 -5,-0.2 2,-0.1 -0.887 62.8-127.6-125.1 150.0 8.7 5.6 -10.9 316 327 A S > - 0 0 22 -2,-0.3 4,-2.2 -14,-0.1 5,-0.2 -0.451 26.4-116.2 -85.6 157.4 11.3 7.6 -12.8 317 328 A R H > S+ 0 0 36 -16,-2.9 4,-3.0 -18,-0.2 5,-0.2 0.875 117.0 59.5 -49.9 -40.0 13.2 10.8 -11.9 318 329 A A H > S+ 0 0 16 -19,-2.3 4,-2.1 -17,-0.2 -1,-0.2 0.905 106.1 44.8 -62.2 -42.7 11.3 12.4 -14.8 319 330 A Y H > S+ 0 0 88 -20,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.935 115.4 46.5 -68.3 -43.7 7.9 11.7 -13.3 320 331 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.902 109.8 55.6 -67.9 -37.3 8.9 12.8 -9.8 321 332 A H H X S+ 0 0 16 -4,-3.0 4,-2.6 -25,-0.2 -1,-0.2 0.943 110.1 45.9 -53.5 -51.0 10.5 15.9 -11.3 322 333 A H H X S+ 0 0 105 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.926 112.3 50.2 -60.3 -46.7 7.2 16.8 -12.9 323 334 A L H <>S+ 0 0 9 -4,-2.6 5,-2.4 2,-0.2 4,-0.4 0.915 113.6 44.3 -60.4 -45.5 5.2 16.1 -9.8 324 335 A I H ><5S+ 0 0 7 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.930 112.7 51.3 -69.1 -41.6 7.4 18.2 -7.5 325 336 A R H 3<5S+ 0 0 144 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.873 111.5 48.7 -58.5 -35.8 7.6 21.1 -10.0 326 337 A A T 3<5S- 0 0 53 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.468 112.7-120.5 -85.2 -3.9 3.8 21.0 -10.3 327 338 A G T < 5 + 0 0 68 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.742 52.6 167.1 71.1 26.0 3.4 21.1 -6.5 328 339 A E >>< - 0 0 105 -5,-2.4 4,-1.2 -6,-0.2 3,-0.8 -0.485 43.1-133.5 -78.7 139.5 1.5 17.8 -6.5 329 340 A I H 3> S+ 0 0 130 1,-0.3 4,-2.2 -2,-0.2 3,-0.2 0.863 106.1 61.1 -55.2 -41.7 0.9 15.8 -3.3 330 341 A L H 3> S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.844 98.3 58.8 -58.9 -32.7 1.9 12.6 -4.9 331 342 A G H <> S+ 0 0 0 -3,-0.8 4,-2.7 -8,-0.3 5,-0.2 0.946 107.5 45.0 -60.7 -45.7 5.4 14.1 -5.5 332 343 A A H X S+ 0 0 24 -4,-1.2 4,-2.4 1,-0.2 5,-0.2 0.892 112.1 53.7 -63.2 -40.3 5.8 14.7 -1.8 333 344 A M H X S+ 0 0 74 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.936 113.0 41.6 -58.5 -49.0 4.5 11.2 -1.1 334 345 A L H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.917 115.5 48.6 -70.9 -42.7 7.0 9.6 -3.4 335 346 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.906 113.2 48.6 -61.4 -41.8 10.0 11.7 -2.3 336 347 A T H X S+ 0 0 5 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.923 110.5 49.8 -68.0 -43.3 9.3 11.1 1.3 337 348 A E H X S+ 0 0 35 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.946 113.6 46.1 -60.1 -47.9 9.0 7.4 1.0 338 349 A H H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.939 112.8 49.2 -61.0 -46.6 12.2 7.1 -1.0 339 350 A N H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.913 113.9 44.7 -63.8 -42.0 14.2 9.4 1.5 340 351 A I H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.896 114.2 50.5 -67.4 -37.6 13.0 7.5 4.5 341 352 A A H X S+ 0 0 3 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.895 108.9 52.2 -64.1 -40.3 13.7 4.2 2.8 342 353 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.937 108.0 51.2 -61.4 -46.3 17.1 5.4 1.9 343 354 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.902 110.3 48.9 -58.8 -41.5 17.8 6.3 5.5 344 355 A Q H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.879 109.5 52.0 -66.9 -37.1 16.7 2.8 6.7 345 356 A Q H X S+ 0 0 31 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.889 109.1 51.2 -63.3 -39.0 18.9 1.1 4.0 346 357 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.929 110.3 48.4 -61.8 -45.3 21.8 3.2 5.3 347 358 A M H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.901 110.3 52.0 -64.2 -38.8 21.1 2.1 8.9 348 359 A Q H X S+ 0 0 62 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.908 109.5 48.7 -61.2 -43.6 20.9 -1.5 7.7 349 360 A K H X S+ 0 0 79 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.888 112.1 50.1 -63.9 -37.7 24.3 -1.2 6.0 350 361 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.953 112.6 46.2 -64.3 -49.4 25.7 0.3 9.2 351 362 A R H X S+ 0 0 10 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.922 114.6 47.3 -58.9 -45.8 24.3 -2.5 11.3 352 363 A D H X S+ 0 0 64 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.907 111.9 49.3 -65.4 -42.2 25.5 -5.2 9.0 353 364 A S H <>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 6,-0.7 0.889 111.6 48.3 -68.8 -37.6 29.0 -3.8 8.7 354 365 A I H ><5S+ 0 0 2 -4,-2.3 3,-1.4 4,-0.2 -1,-0.2 0.936 110.0 52.6 -64.6 -44.3 29.4 -3.4 12.4 355 366 A S H 3<5S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.778 115.0 43.0 -59.3 -27.9 28.2 -7.0 12.9 356 367 A E T 3<5S- 0 0 126 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.326 113.1-116.7-103.8 5.1 30.8 -8.1 10.4 357 368 A G T < 5S+ 0 0 47 -3,-1.4 -3,-0.2 -4,-0.3 -4,-0.1 0.755 89.5 103.5 67.5 25.8 33.7 -5.9 11.7 358 369 A R >< + 0 0 109 -5,-2.9 4,-2.5 -6,-0.2 -4,-0.2 0.044 36.3 112.7-125.4 26.7 33.9 -3.9 8.5 359 370 A F H > S+ 0 0 5 -6,-0.7 4,-3.1 2,-0.2 5,-0.2 0.897 75.2 54.6 -68.3 -40.3 32.2 -0.7 9.6 360 371 A S H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 111.6 47.0 -59.1 -40.3 35.3 1.5 9.4 361 372 A Q H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.934 111.6 50.5 -65.6 -46.5 35.8 0.3 5.8 362 373 A F H X S+ 0 0 27 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.909 107.7 53.3 -55.7 -44.9 32.1 0.9 5.0 363 374 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.911 111.7 45.8 -59.7 -40.9 32.4 4.5 6.4 364 375 A Q H X S+ 0 0 120 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.919 114.6 46.5 -67.5 -44.9 35.4 5.2 4.2 365 376 A D H X S+ 0 0 85 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.889 112.5 52.0 -65.8 -40.1 33.7 3.7 1.1 366 377 A F H X S+ 0 0 9 -4,-3.1 4,-3.2 -5,-0.2 5,-0.3 0.949 111.3 45.2 -60.4 -51.2 30.5 5.5 1.8 367 378 A R H X S+ 0 0 78 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.910 110.1 54.9 -61.7 -41.8 32.2 8.9 2.2 368 379 A A H < S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 117.9 34.9 -59.8 -42.0 34.3 8.4 -1.0 369 380 A R H >< S+ 0 0 80 -4,-1.9 3,-1.2 2,-0.2 -2,-0.2 0.905 115.0 53.8 -79.7 -43.7 31.3 7.7 -3.1 370 381 A Y H 3< S+ 0 0 13 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.860 119.1 36.4 -61.9 -35.4 28.8 10.1 -1.4 371 382 A F T 3< 0 0 116 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.272 360.0 360.0 -99.9 9.2 31.2 13.0 -1.9 372 383 A A < 0 0 114 -3,-1.2 -3,-0.1 -5,-0.1 -4,-0.0 0.132 360.0 360.0 -70.3 360.0 32.6 11.9 -5.3