==== 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 26-JAN-08 3C2Y . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR T.RITSCHEL,A.HEINE,G.KLEBE . 361 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14478.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 7.2 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.0 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 1 1 0 2 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 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 . 0 1 2 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 0 168 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 155.5 8.7 -10.3 26.0 2 12 A P - 0 0 51 0, 0.0 3,-0.2 0, 0.0 173,-0.0 -0.401 360.0-108.8 -75.3 166.4 10.2 -8.4 28.9 3 13 A R S S- 0 0 67 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.899 101.5 -9.7 -53.7 -44.9 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 -0.861 65.5 164.1-166.7 123.0 13.0 -4.0 28.4 5 15 A S E -A 21 0A 45 16,-1.8 16,-3.0 -2,-0.3 2,-0.5 -0.886 11.9-168.6-145.6 116.1 16.0 -6.0 27.5 6 16 A F E -A 20 0A 30 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.894 11.8-179.6-103.6 124.3 19.1 -4.8 25.5 7 17 A S E -A 19 0A 61 12,-2.5 12,-2.0 -2,-0.5 2,-0.6 -0.977 19.6-144.2-125.7 130.7 21.5 -7.5 24.4 8 18 A I E +A 18 0A 48 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.819 18.2 176.3 -95.6 122.8 24.7 -7.0 22.5 9 19 A A E + 0 0 83 8,-2.0 2,-0.3 -2,-0.6 9,-0.2 0.740 64.5 6.2 -98.4 -24.8 25.5 -9.7 20.0 10 20 A A E -A 17 0A 25 7,-1.9 7,-2.8 2,-0.0 -1,-0.3 -0.965 58.1-165.2-162.0 151.0 28.6 -8.4 18.3 11 21 A R E -A 16 0A 105 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.916 9.1-177.2-134.4 152.4 31.1 -5.6 18.6 12 22 A E E > S-A 15 0A 42 3,-1.8 3,-2.1 -2,-0.3 2,-0.1 -0.842 71.7 -46.3-150.3 112.7 33.8 -4.0 16.4 13 23 A G T 3 S- 0 0 76 1,-0.3 -1,-0.2 -2,-0.3 241,-0.1 -0.414 125.4 -21.2 55.8-133.3 35.8 -1.2 18.0 14 24 A K T 3 S+ 0 0 89 239,-0.5 -1,-0.3 -3,-0.1 240,-0.1 0.611 118.1 103.6 -78.7 -13.0 33.2 1.1 19.6 15 25 A A E < -A 12 0A 1 -3,-2.1 -3,-1.8 238,-0.2 2,-0.4 -0.395 49.1-173.3 -77.6 148.6 30.4 -0.2 17.4 16 26 A R E -A 11 0A 2 240,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.989 12.2-165.9-136.6 148.3 27.8 -2.6 18.6 17 27 A T E +A 10 0A 7 -7,-2.8 -8,-2.0 -2,-0.4 -7,-1.9 -0.987 35.5 105.5-131.2 144.1 25.0 -4.6 17.1 18 28 A G E -AB 8 29A 7 11,-1.7 11,-3.1 -2,-0.3 2,-0.3 -0.883 54.2 -78.2-179.3-151.1 22.1 -6.3 19.0 19 29 A T E -AB 7 28A 48 -12,-2.0 -12,-2.5 9,-0.2 2,-0.5 -0.995 12.5-147.1-145.0 144.9 18.5 -6.1 20.0 20 30 A I E -AB 6 27A 0 7,-2.6 7,-3.0 -2,-0.3 2,-0.5 -0.987 22.0-155.6-109.0 118.7 16.1 -4.3 22.3 21 31 A E E +AB 5 26A 66 -16,-3.0 -16,-1.8 -2,-0.5 2,-0.3 -0.868 21.7 164.1 -96.4 128.6 13.3 -6.5 23.4 22 32 A M E > - B 0 25A 1 3,-1.8 3,-1.3 -2,-0.5 -19,-0.2 -0.845 51.7 -98.9-133.8 168.1 10.1 -4.8 24.5 23 33 A K T 3 S+ 0 0 89 -20,-0.5 -20,-0.1 152,-0.3 3,-0.1 0.929 121.5 47.7 -57.3 -43.4 6.5 -5.9 25.1 24 34 A R T 3 S- 0 0 101 1,-0.2 2,-0.3 -21,-0.1 -1,-0.3 0.446 126.0 -65.1 -82.8 2.6 5.4 -4.6 21.7 25 35 A G E < -B 22 0A 0 -3,-1.3 -3,-1.8 62,-0.2 2,-0.4 -0.840 59.2 -57.3 145.9-178.8 8.2 -6.1 19.7 26 36 A V E -B 21 0A 49 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.785 32.1-154.3-103.4 143.0 12.0 -6.3 19.0 27 37 A I E -B 20 0A 0 -7,-3.0 -7,-2.6 -2,-0.4 2,-0.4 -0.953 11.1-144.3-119.7 116.7 14.2 -3.5 17.9 28 38 A R E -B 19 0A 78 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.595 32.7-108.6 -78.1 129.0 17.4 -4.3 16.0 29 39 A T E S+B 18 0A 0 -11,-3.1 -11,-1.7 -2,-0.4 2,-0.2 -0.894 100.2 47.8-115.6 148.9 20.3 -2.1 16.8 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 228,-0.2 0.478 93.7-170.6 -59.4 134.8 21.8 0.1 15.4 31 41 A A E -c 258 0B 3 226,-2.6 228,-1.6 -2,-0.2 2,-0.5 -0.867 25.5-153.9-111.7 139.0 18.3 1.4 14.7 32 42 A F E -c 259 0B 2 -2,-0.4 24,-0.4 226,-0.2 23,-0.4 -0.961 14.7-157.0-109.5 128.3 16.8 4.1 12.6 33 43 A M E -c 260 0B 0 226,-2.9 228,-0.8 -2,-0.5 24,-0.2 -0.893 11.5-136.9-104.3 108.6 13.5 5.5 13.8 34 44 A P E -c 261 0B 0 0, 0.0 24,-3.0 0, 0.0 2,-0.5 -0.379 27.7-119.4 -59.5 142.3 11.2 7.2 11.3 35 45 A V B +d 58 0B 12 226,-0.6 7,-0.5 22,-0.2 24,-0.2 -0.691 34.6 172.6 -92.3 131.0 9.8 10.4 12.7 36 46 A G > + 0 0 3 22,-3.2 3,-1.4 -2,-0.5 4,-0.3 -0.379 7.0 166.4-133.5 63.8 6.0 10.7 13.0 37 47 A T T 3 S+ 0 0 32 1,-0.3 23,-0.3 22,-0.2 -1,-0.1 0.597 76.2 42.1 -62.1 -24.1 5.4 14.0 14.9 38 48 A A T 3 S- 0 0 51 2,-0.7 -1,-0.3 25,-0.1 3,-0.1 -0.078 129.9 -84.0-110.8 43.1 1.7 14.4 14.2 39 49 A A S < S+ 0 0 14 -3,-1.4 2,-0.3 1,-0.1 -2,-0.2 0.809 110.7 81.0 63.5 30.5 0.7 10.7 14.7 40 50 A T S S- 0 0 61 -4,-0.3 2,-0.8 5,-0.0 -2,-0.7 -0.916 80.0-128.3-157.7 138.0 1.7 9.9 11.1 41 51 A V > - 0 0 3 3,-0.5 3,-2.4 -2,-0.3 -5,-0.2 -0.862 62.3 -96.2 -79.8 114.3 5.0 9.2 9.4 42 52 A K T 3 S- 0 0 84 -2,-0.8 -1,-0.1 -7,-0.5 3,-0.1 -0.021 96.8 -5.8 -50.3 125.1 4.3 11.8 6.7 43 53 A A T 3 S+ 0 0 42 1,-0.2 2,-0.4 284,-0.0 -1,-0.3 0.558 111.7 102.6 69.9 13.8 2.8 10.3 3.5 44 54 A L < - 0 0 17 -3,-2.4 -3,-0.5 283,-0.1 -1,-0.2 -0.982 66.1-133.3-127.8 138.7 3.1 6.7 4.6 45 55 A K >> - 0 0 136 -2,-0.4 4,-2.0 1,-0.1 3,-0.7 -0.569 35.7-114.6 -68.0 145.9 0.6 4.1 5.9 46 56 A P H 3> S+ 0 0 37 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.827 117.4 57.9 -55.6 -34.6 2.1 2.3 9.0 47 57 A E H 3> S+ 0 0 134 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.861 106.5 49.7 -65.1 -32.9 2.2 -1.0 7.1 48 58 A T H <> S+ 0 0 30 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.917 107.9 52.2 -70.0 -46.3 4.4 0.8 4.6 49 59 A V H <>S+ 0 0 2 -4,-2.0 5,-1.4 1,-0.2 4,-0.3 0.932 113.4 45.6 -51.5 -43.6 6.7 2.1 7.3 50 60 A R H ><5S+ 0 0 83 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.905 106.0 58.6 -69.3 -40.6 7.0 -1.5 8.6 51 61 A A H 3<5S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.838 98.8 59.8 -60.8 -28.2 7.5 -2.9 5.1 52 62 A T T 3<5S- 0 0 18 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.648 126.2-100.5 -72.5 -14.9 10.6 -0.7 4.7 53 63 A G T < 5 + 0 0 18 -3,-2.1 -3,-0.2 -4,-0.3 -2,-0.1 0.328 67.5 152.1 111.0 2.4 12.0 -2.4 7.8 54 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.2 3,-0.1 -0.426 23.5-173.5 -65.6 137.9 11.4 -0.0 10.6 55 65 A D S S+ 0 0 7 -23,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.557 72.3 14.2-100.1 -17.1 11.1 -1.6 14.1 56 66 A I - 0 0 1 -24,-0.4 -1,-0.3 31,-0.1 2,-0.3 -0.971 64.0-153.8-160.6 149.0 10.1 1.5 15.9 57 67 A I E - e 0 89B 3 31,-1.1 33,-2.7 -2,-0.3 2,-0.4 -0.846 20.5-118.5-125.7 160.0 8.9 5.1 15.1 58 68 A L E -de 35 90B 4 -24,-3.0 -22,-3.2 -2,-0.3 2,-0.2 -0.889 23.7-174.6-107.0 140.6 9.2 8.3 17.0 59 69 A G E - e 0 91B 3 31,-3.0 33,-2.8 -2,-0.4 2,-0.5 -0.734 19.6-127.4-117.3 167.6 6.4 10.5 18.3 60 70 A N E > - e 0 92B 10 -23,-0.3 4,-2.2 -24,-0.3 5,-0.3 -0.961 6.0-156.0-129.9 122.4 6.6 14.0 19.9 61 71 A T H > S+ 0 0 0 31,-2.3 4,-2.0 -2,-0.5 5,-0.2 0.914 95.8 51.6 -53.7 -47.6 5.1 15.1 23.2 62 72 A Y H > S+ 0 0 52 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.977 113.0 41.1 -62.1 -54.9 5.0 18.7 22.2 63 73 A H H > S+ 0 0 64 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.947 116.8 47.7 -60.6 -47.4 3.2 18.3 18.9 64 74 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.3 -1,-0.2 0.770 106.6 57.8 -67.2 -28.1 0.7 15.7 20.1 65 75 A M H <5S+ 0 0 15 -4,-2.0 5,-0.3 -5,-0.3 -1,-0.3 0.884 113.5 39.6 -69.7 -33.2 -0.2 17.7 23.2 66 76 A L H <5S+ 0 0 70 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.905 120.0 47.2 -80.5 -43.9 -1.2 20.6 21.0 67 77 A R T <5S- 0 0 206 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.940 130.9 -6.3-146.2 120.4 -2.9 18.6 18.3 68 78 A P T 5S- 0 0 36 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 -0.983 104.4-111.9 -89.8 -2.6 -4.9 16.3 18.8 69 79 A G >< - 0 0 14 -5,-2.5 4,-2.1 -6,-0.1 -4,-0.2 0.018 9.5-118.5 112.8 133.6 -4.4 16.5 22.5 70 80 A A H > S+ 0 0 1 -5,-0.3 4,-2.1 2,-0.2 5,-0.1 0.903 114.7 47.3 -75.6 -42.1 -2.9 13.9 24.8 71 81 A E H > S+ 0 0 90 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.887 110.5 54.7 -63.8 -40.4 -6.0 13.3 26.9 72 82 A R H > S+ 0 0 166 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.959 108.1 48.3 -59.5 -46.8 -7.9 13.0 23.7 73 83 A I H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 -1,-0.2 0.927 110.4 51.2 -63.2 -37.6 -5.6 10.3 22.4 74 84 A A H ><5S+ 0 0 37 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.932 107.3 53.5 -61.3 -44.8 -5.8 8.4 25.7 75 85 A K H 3<5S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.835 107.4 53.0 -55.7 -33.6 -9.6 8.5 25.5 76 86 A L T 3<5S- 0 0 95 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.388 132.7 -86.0 -88.5 6.5 -9.4 7.0 22.0 77 87 A G T < 5S- 0 0 55 -3,-1.9 4,-0.4 -4,-0.2 -3,-0.2 0.489 74.1 -70.9 107.7 1.4 -7.2 4.1 23.1 78 88 A G >< - 0 0 11 -5,-2.7 4,-2.4 -6,-0.2 50,-0.2 -0.200 59.4 -69.1 100.8 167.2 -3.7 5.4 22.9 79 89 A L H > S+ 0 0 3 48,-2.6 4,-2.4 1,-0.2 6,-0.3 0.861 126.0 56.2 -69.3 -34.5 -1.4 6.4 20.1 80 90 A H H >>S+ 0 0 14 47,-0.4 5,-1.4 2,-0.2 4,-1.3 0.937 113.8 39.6 -61.9 -48.4 -0.8 2.9 18.8 81 91 A S H 45S+ 0 0 86 -4,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.936 114.6 53.8 -62.8 -50.5 -4.5 2.3 18.3 82 92 A F H <5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.930 121.4 27.8 -55.0 -51.8 -5.2 5.8 17.0 83 93 A M H <5S- 0 0 30 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.531 107.2-118.2 -93.0 -6.1 -2.5 5.7 14.2 84 94 A G T <5 + 0 0 51 -4,-1.3 2,-0.5 -5,-0.2 -3,-0.2 0.835 69.4 129.2 73.0 35.2 -2.5 1.9 13.6 85 95 A W < + 0 0 9 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.2 -0.977 30.0 180.0-117.1 116.0 1.1 1.2 14.6 86 96 A D + 0 0 120 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.356 53.4 85.5-102.8 9.8 1.3 -1.7 17.0 87 97 A R S S- 0 0 71 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.325 94.9 -55.7 -98.7 177.3 5.1 -1.8 17.5 88 98 A P - 0 0 0 0, 0.0 -31,-1.1 0, 0.0 2,-0.4 -0.244 50.3-162.2 -55.4 148.0 7.2 0.2 19.9 89 99 A I E -e 57 0B 1 -33,-0.2 42,-2.0 39,-0.2 41,-1.8 -0.999 6.0-154.1-128.5 129.5 7.1 4.0 19.8 90 100 A L E -ef 58 131B 0 -33,-2.7 -31,-3.0 -2,-0.4 2,-0.5 -0.885 12.7-158.1 -97.2 136.2 9.6 6.4 21.2 91 101 A T E -ef 59 132B 0 40,-2.4 42,-1.0 -2,-0.5 -31,-0.3 -0.948 11.9-135.6-114.7 129.1 8.4 9.8 22.2 92 102 A D E -e 60 0B 18 -33,-2.8 -31,-2.3 -2,-0.5 -30,-0.1 -0.470 20.6-130.0 -73.0 158.8 10.5 12.9 22.6 93 103 A S - 0 0 0 41,-0.4 -1,-0.1 -33,-0.2 30,-0.1 0.483 39.9-101.7 -93.7 -10.9 9.7 14.8 25.7 94 104 A G S S+ 0 0 1 -33,-0.1 3,-0.3 21,-0.0 41,-0.1 0.076 88.5 120.1 104.4 -11.7 9.3 18.4 24.3 95 105 A G S S+ 0 0 11 1,-0.2 43,-2.1 2,-0.2 40,-0.0 0.619 73.8 52.8 -62.1 -10.7 12.7 19.5 25.5 96 106 A Y 0 0 139 41,-0.2 -1,-0.2 43,-0.0 41,-0.0 0.820 360.0 360.0 -93.3 -38.0 13.8 20.3 21.9 97 107 A Q 0 0 69 -3,-0.3 -2,-0.2 40,-0.0 40,-0.0 0.938 360.0 360.0 -71.7 360.0 10.8 22.4 21.3 98 ! 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 99 115 A T 0 0 98 0, 0.0 2,-0.5 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 155.7 8.3 30.3 26.2 100 116 A K E -K 107 0C 63 7,-2.6 7,-2.7 2,-0.0 2,-0.4 -0.999 360.0-163.3-113.2 119.3 8.4 31.3 29.9 101 117 A Q E +K 106 0C 112 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.898 20.1 149.9-111.9 139.5 11.0 29.1 31.5 102 118 A S E > -K 105 0C 62 3,-2.4 3,-0.8 -2,-0.4 -2,-0.0 -0.878 62.1 -87.4-148.2 177.2 11.6 28.4 35.2 103 119 A E T 3 S+ 0 0 60 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.781 125.0 59.0 -59.7 -29.1 13.0 25.6 37.4 104 120 A E T 3 S- 0 0 130 1,-0.2 2,-0.3 12,-0.1 -1,-0.2 0.828 120.1 -88.0 -69.8 -33.6 9.4 24.2 37.4 105 121 A G E < -K 102 0C 5 -3,-0.8 -3,-2.4 11,-0.2 2,-0.4 -0.986 51.2 -59.1 154.7-151.4 9.1 23.8 33.6 106 122 A V E -KL 101 115C 11 9,-3.5 9,-3.2 -2,-0.3 2,-0.5 -0.989 24.6-152.5-141.7 133.0 8.1 25.8 30.6 107 123 A T E -KL 100 114C 61 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.3 -0.938 16.0-165.6-106.6 128.0 5.0 27.6 29.4 108 124 A F E L 0 113C 19 5,-3.7 5,-3.9 -2,-0.5 -2,-0.0 -0.843 360.0 360.0-104.7 135.8 4.5 27.9 25.6 109 125 A K 0 0 121 -2,-0.3 -1,-0.1 3,-0.3 5,-0.0 0.462 360.0 360.0-147.6 360.0 2.0 30.3 23.9 110 ! 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 0.0 111 131 A S 0 0 128 0, 0.0 2,-0.4 0, 0.0 -45,-0.0 0.000 360.0 360.0 360.0-156.1 -3.6 28.7 23.8 112 132 A R - 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0 0 23 -4,-3.2 2,-0.3 -5,-0.2 -3,-0.1 0.392 25.1-171.6 100.1 127.1 19.8 5.0 36.4 203 223 A F - 0 0 7 -4,-0.1 -24,-0.2 -23,-0.1 3,-0.1 -0.903 35.9-119.4-138.6 169.1 17.9 4.7 33.1 204 224 A D S S+ 0 0 16 -26,-2.6 2,-0.3 -2,-0.3 -25,-0.2 0.713 98.5 3.5 -81.3 -18.5 17.1 2.0 30.6 205 225 A G E -h 179 0B 0 -27,-0.7 -25,-2.2 30,-0.2 2,-0.4 -0.940 66.9-134.0-161.5 160.4 18.9 4.0 27.9 206 226 A Y E -hi 180 237B 7 30,-2.7 32,-2.3 -2,-0.3 2,-0.3 -0.995 14.6-158.0-132.3 121.5 21.0 7.1 27.5 207 227 A A E -hi 181 238B 0 -27,-2.9 -25,-3.0 -2,-0.4 2,-0.8 -0.757 17.1-133.1 -95.3 145.7 20.6 9.7 24.8 208 228 A V E -hi 182 239B 0 30,-3.1 32,-1.3 -2,-0.3 3,-0.3 -0.866 38.3-177.5 -93.6 108.5 23.3 12.1 23.6 209 229 A G + 0 0 2 -27,-2.3 3,-0.1 -2,-0.8 -24,-0.0 -0.434 48.8 49.8 -98.5 178.1 21.4 15.4 23.5 210 230 A G S S+ 0 0 10 1,-0.2 2,-0.2 -2,-0.1 3,-0.2 0.671 84.1 111.4 74.4 14.5 22.4 18.9 22.4 211 231 A L + 0 0 9 -3,-0.3 -1,-0.2 29,-0.2 -70,-0.0 -0.720 54.2 41.6-120.0 171.5 23.9 17.9 19.1 212 232 A A S S+ 0 0 47 -2,-0.2 -1,-0.2 4,-0.1 -2,-0.1 0.892 80.1 115.6 63.5 35.9 22.9 18.5 15.5 213 233 A V S S- 0 0 34 -3,-0.2 -72,-0.5 3,-0.1 -1,-0.1 0.139 100.9 -58.5-127.7 26.4 22.0 22.0 16.4 214 234 A G S S+ 0 0 64 -74,-0.1 3,-0.1 -72,-0.0 -3,-0.1 0.281 102.1 110.5 122.9 0.3 24.6 23.8 14.3 215 235 A E S S- 0 0 17 1,-0.1 4,-0.5 2,-0.0 3,-0.0 0.612 74.5-120.0 -82.5 -13.9 28.1 22.7 15.4 216 236 A G > - 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0 0 30 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.281 37.9-146.2 -47.5 120.8 26.9 2.9 30.6 233 253 A D T 3 S+ 0 0 87 1,-0.2 4,-0.1 -4,-0.1 -2,-0.1 0.821 91.4 60.7 -64.2 -31.9 28.2 0.5 27.9 234 254 A D T 3 S+ 0 0 102 2,-0.1 -1,-0.2 -29,-0.0 -228,-0.2 0.310 97.7 66.4 -87.3 7.3 25.4 -2.1 28.6 235 255 A K S < S- 0 0 57 -3,-1.2 -30,-0.2 -228,-0.0 -31,-0.1 -0.913 95.7 -84.7-124.0 155.5 22.5 0.2 27.7 236 256 A P - 0 0 0 0, 0.0 -30,-2.7 0, 0.0 2,-0.5 -0.252 31.8-144.0 -62.7 146.4 21.5 1.7 24.4 237 257 A H E -i 206 0B 5 18,-0.2 20,-3.3 -32,-0.2 21,-1.7 -0.951 16.8-166.7-111.8 116.1 23.1 5.0 23.2 238 258 A Y E -ij 207 258B 0 -32,-2.3 -30,-3.1 -2,-0.5 2,-0.9 -0.917 12.3-157.2-114.5 120.4 20.7 7.2 21.3 239 259 A L E > -ij 208 259B 0 19,-2.5 3,-1.3 -2,-0.5 21,-0.6 -0.798 28.3-132.4 -96.2 104.7 21.9 10.2 19.2 240 260 A M T 3 S- 0 0 26 -32,-1.3 -29,-0.2 -2,-0.9 3,-0.1 -0.401 75.6 -4.8 -68.4 128.3 18.8 12.5 19.0 241 261 A G T 3 S+ 0 0 32 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.474 90.2 166.4 78.4 6.5 17.9 13.9 15.7 242 262 A V < + 0 0 1 -3,-1.3 18,-0.8 1,-0.1 -1,-0.2 -0.855 7.4 161.4-100.7 135.9 20.8 12.5 13.7 243 263 A G + 0 0 5 -2,-0.4 -1,-0.1 16,-0.2 -2,-0.1 0.643 21.2 72.8 169.2-151.6 21.0 12.4 10.7 244 264 A K S > S- 0 0 101 1,-0.1 4,-2.2 19,-0.1 3,-0.5 -0.284 71.2-102.1 -64.5 161.2 22.4 12.2 7.2 245 265 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.884 124.1 48.5 -51.8 -41.8 23.6 8.7 6.1 246 266 A D H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.838 107.8 54.0 -74.6 -29.6 27.2 9.7 6.7 247 267 A D H > S+ 0 0 9 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.907 109.2 50.4 -60.1 -44.2 26.5 11.1 10.2 248 268 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.934 109.0 49.6 -64.1 -48.0 24.9 7.8 11.1 249 269 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.956 113.9 45.6 -57.7 -47.6 27.9 5.8 9.9 250 270 A G H < S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.842 111.6 52.8 -64.9 -33.6 30.3 7.9 11.9 251 271 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 3,-0.9 0.868 107.3 50.6 -71.1 -37.3 28.1 7.9 14.9 252 272 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -236,-0.2 0.906 104.9 58.2 -67.5 -34.7 27.9 4.1 14.9 253 273 A E T 3<5S+ 0 0 51 -4,-1.9 -239,-0.5 1,-0.3 -1,-0.3 0.688 108.2 48.4 -61.8 -20.7 31.7 4.1 14.7 254 274 A R T < 5S- 0 0 51 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.302 131.9 -88.2-105.6 4.6 31.6 6.0 17.9 255 275 A G T < 5S+ 0 0 3 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.570 72.8 147.0 109.1 12.7 29.2 3.8 19.8 256 276 A I < + 0 0 1 -5,-2.3 -1,-0.3 -8,-0.1 -240,-0.3 -0.623 19.7 179.1 -88.3 142.3 25.7 5.1 18.9 257 277 A D + 0 0 0 -20,-3.3 -226,-2.6 -2,-0.3 2,-0.3 0.594 61.1 45.3-114.5 -20.3 22.9 2.5 18.7 258 278 A M E +cj 31 238B 0 -21,-1.7 -19,-2.5 -228,-0.2 2,-0.3 -0.986 56.7 175.7-139.1 147.2 19.8 4.5 17.9 259 279 A F E +cj 32 239B 0 -228,-1.6 -226,-2.9 -2,-0.3 2,-0.3 -0.959 8.8 178.8-147.4 149.5 18.9 7.3 15.6 260 280 A D E +c 33 0B 16 -18,-0.8 2,-0.3 -21,-0.6 -203,-0.0 -0.978 12.9 162.9-145.1 149.2 15.9 9.5 14.4 261 281 A C E -c 34 0B 13 -228,-0.8 -226,-0.6 -2,-0.3 4,-0.3 -0.960 39.7-139.9-166.8 150.5 15.8 12.3 11.9 262 282 A V S > S+ 0 0 84 -2,-0.3 4,-3.1 -21,-0.2 5,-0.5 0.617 83.4 92.8 -80.0 -11.8 13.3 14.2 9.8 263 283 A L H >>S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 5,-0.8 0.908 80.9 49.0 -57.2 -52.9 15.7 14.3 6.8 264 284 A P H 45S+ 0 0 0 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.893 123.4 33.6 -57.6 -37.1 14.5 11.1 4.9 265 285 A T H >5S+ 0 0 8 -4,-0.3 4,-2.4 -3,-0.3 -2,-0.2 0.965 125.4 38.9 -81.6 -55.8 10.8 12.2 5.1 266 286 A R H X5S+ 0 0 35 -4,-3.1 4,-1.3 1,-0.2 -3,-0.2 0.958 119.8 45.0 -58.5 -55.8 11.2 16.0 4.9 267 287 A S H <>S+ 0 0 15 -4,-2.0 5,-2.7 -5,-0.5 4,-0.3 0.853 109.8 59.3 -64.8 -27.9 13.9 16.1 2.3 268 288 A G H >4 - 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