==== 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 13-MAY-07 2PWV . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR N.TIDTEN,B.STENGL,A.HEINE,K.REUTER,G.KLEBE . 361 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 69.3 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 . 22 6.1 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 . 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 . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.8 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 5 1 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 . 0 3 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 . 2 1 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 0 159 0, 0.0 22,-0.1 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 143.3 8.7 -10.4 25.9 2 12 A P - 0 0 52 0, 0.0 3,-0.2 0, 0.0 173,-0.0 -0.264 360.0-111.2 -67.0 164.1 10.2 -8.4 28.8 3 13 A R S S- 0 0 66 1,-0.3 20,-0.5 19,-0.2 2,-0.3 0.878 102.1 -8.2 -54.7 -44.1 9.4 -4.8 29.5 4 14 A F + 0 0 28 18,-0.2 2,-0.3 19,-0.1 -1,-0.3 -0.873 65.5 160.9-165.4 123.2 13.0 -4.1 28.4 5 15 A S E -A 21 0A 43 16,-1.9 16,-2.7 -2,-0.3 2,-0.5 -0.832 13.3-168.8-147.0 111.0 16.1 -6.1 27.6 6 16 A F E +A 20 0A 29 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.872 12.4 179.8-102.2 126.2 19.1 -4.9 25.6 7 17 A S E -A 19 0A 64 12,-2.5 12,-2.1 -2,-0.5 2,-0.6 -0.986 20.6-143.6-131.3 129.3 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 -0.820 16.9 178.1 -96.4 121.5 24.7 -7.0 22.5 9 19 A A E + 0 0 85 8,-1.9 2,-0.3 -2,-0.6 9,-0.2 0.723 65.8 5.5 -91.9 -27.1 25.4 -9.8 20.0 10 20 A A E -A 17 0A 23 7,-2.2 7,-2.6 2,-0.0 2,-0.3 -0.998 58.3-162.3-160.2 155.2 28.6 -8.5 18.4 11 21 A R E -A 16 0A 110 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.942 9.4-178.4-138.9 154.7 31.1 -5.7 18.6 12 22 A E E > S-A 15 0A 45 3,-2.0 3,-2.2 -2,-0.3 2,-0.1 -0.807 71.3 -45.7-154.7 111.1 33.8 -4.1 16.5 13 23 A G T 3 S- 0 0 74 1,-0.3 -1,-0.2 -2,-0.3 241,-0.1 -0.385 124.8 -22.2 59.3-132.4 35.8 -1.3 18.0 14 24 A K T 3 S+ 0 0 86 239,-0.6 -1,-0.3 -2,-0.1 2,-0.1 0.608 118.1 105.6 -81.6 -7.4 33.4 1.0 19.7 15 25 A A E < -A 12 0A 1 -3,-2.2 -3,-2.0 238,-0.2 2,-0.3 -0.432 49.2-170.9 -81.4 148.6 30.5 -0.3 17.5 16 26 A R E -A 11 0A 1 240,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.981 11.6-167.4-138.4 145.8 27.8 -2.6 18.7 17 27 A T E +A 10 0A 8 -7,-2.6 -7,-2.2 -2,-0.3 -8,-1.9 -0.999 35.9 100.8-134.3 140.3 25.0 -4.6 17.2 18 28 A G E -AB 8 29A 7 11,-1.6 11,-3.6 -2,-0.4 2,-0.3 -0.880 54.8 -76.1-177.5-152.1 22.2 -6.3 19.1 19 29 A T E -AB 7 28A 49 -12,-2.1 -12,-2.5 9,-0.2 2,-0.5 -0.990 11.2-145.6-141.6 151.6 18.5 -6.1 20.0 20 30 A I E -AB 6 27A 0 7,-2.5 7,-2.4 -2,-0.3 2,-0.5 -0.986 22.0-157.3-112.5 115.3 16.1 -4.3 22.3 21 31 A E E +AB 5 26A 67 -16,-2.7 -16,-1.9 -2,-0.5 2,-0.3 -0.855 21.5 163.1 -95.4 131.0 13.3 -6.6 23.4 22 32 A M E > - B 0 25A 0 3,-1.4 3,-1.8 -2,-0.5 -19,-0.2 -0.877 52.7 -97.9-139.6 163.7 10.1 -4.8 24.6 23 33 A K T 3 S+ 0 0 103 -20,-0.5 3,-0.1 152,-0.4 -20,-0.1 0.885 123.5 48.1 -58.7 -35.2 6.5 -5.9 25.0 24 34 A R T 3 S- 0 0 101 1,-0.2 -1,-0.3 -21,-0.2 2,-0.2 0.444 125.5 -71.9 -86.5 -1.5 5.5 -4.5 21.7 25 35 A G E < -B 22 0A 1 -3,-1.8 -3,-1.4 62,-0.2 2,-0.3 -0.794 56.6 -50.4 142.2 179.2 8.4 -6.1 19.8 26 36 A V E -B 21 0A 50 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.764 33.4-157.9 -96.8 136.1 12.1 -6.3 19.0 27 37 A I E -B 20 0A 0 -7,-2.4 -7,-2.5 -2,-0.3 2,-0.3 -0.968 14.1-142.7-112.2 113.1 14.3 -3.4 17.9 28 38 A R E -B 19 0A 78 -2,-0.5 -9,-0.2 -9,-0.2 27,-0.1 -0.582 31.6-105.5 -77.9 136.4 17.4 -4.3 16.0 29 39 A T E S+B 18 0A 0 -11,-3.6 -11,-1.6 -2,-0.3 2,-0.1 -0.920 100.3 44.9-121.5 150.4 20.4 -2.1 16.8 30 40 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 228,-0.2 0.430 93.7-172.6 -59.9 137.3 21.9 0.1 15.4 31 41 A A E -c 258 0B 3 226,-2.3 228,-1.5 -2,-0.1 2,-0.5 -0.876 27.8-152.9-115.7 141.4 18.4 1.4 14.7 32 42 A F E -c 259 0B 3 -2,-0.3 24,-0.3 226,-0.2 23,-0.3 -0.975 15.2-157.1-110.4 123.5 16.9 4.2 12.7 33 43 A M E -c 260 0B 0 226,-3.0 228,-0.7 -2,-0.5 24,-0.2 -0.908 12.8-135.6-104.9 111.5 13.5 5.5 13.9 34 44 A P - 0 0 0 0, 0.0 24,-2.7 0, 0.0 2,-0.4 -0.314 26.2-120.8 -59.2 144.1 11.3 7.3 11.4 35 45 A V E -d 58 0B 7 226,-0.5 2,-0.5 22,-0.2 7,-0.4 -0.772 27.9-176.4 -97.7 130.9 9.8 10.5 12.8 36 46 A G E > +d 59 0B 3 22,-2.3 24,-0.6 -2,-0.4 3,-0.5 -0.922 5.1 176.7-125.0 102.8 6.1 10.8 12.9 37 47 A T T 3 S+ 0 0 17 3,-0.6 23,-0.4 -2,-0.5 2,-0.3 0.925 73.4 31.0 -89.5 -41.1 5.1 14.2 14.3 38 48 A A T 3 S- 0 0 47 2,-0.6 -1,-0.2 25,-0.1 3,-0.1 -0.404 132.1 -70.9-112.7 60.4 1.3 14.6 14.2 39 49 A A S < S+ 0 0 15 -3,-0.5 2,-0.3 -2,-0.3 -2,-0.1 0.731 116.9 84.0 61.4 29.7 0.4 10.9 14.8 40 50 A T S S- 0 0 57 5,-0.0 2,-0.8 6,-0.0 -2,-0.6 -0.951 78.1-130.2-154.7 135.6 1.7 10.1 11.2 41 51 A V > - 0 0 4 3,-0.4 3,-2.3 -2,-0.3 -5,-0.2 -0.853 64.8 -97.7 -77.1 109.7 5.0 9.3 9.4 42 52 A K T 3 S- 0 0 68 -2,-0.8 -1,-0.1 -7,-0.4 3,-0.1 -0.005 95.0 -5.0 -53.0 129.2 4.2 11.9 6.7 43 53 A A T 3 S+ 0 0 42 1,-0.1 2,-0.4 284,-0.0 -1,-0.3 0.574 112.3 103.7 67.5 14.3 2.7 10.5 3.5 44 54 A L < - 0 0 16 -3,-2.3 -3,-0.4 283,-0.1 -1,-0.1 -0.993 66.0-133.4-129.6 135.5 3.1 6.9 4.6 45 55 A K >> - 0 0 138 -2,-0.4 4,-2.3 1,-0.1 3,-0.7 -0.453 34.4-114.5 -64.9 142.4 0.7 4.3 5.9 46 56 A P H 3> S+ 0 0 38 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.850 117.8 56.5 -45.7 -40.3 2.0 2.5 9.0 47 57 A E H 3> S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.841 106.3 50.0 -66.2 -35.9 2.2 -0.8 7.0 48 58 A T H <> S+ 0 0 31 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.918 107.6 53.7 -66.3 -46.6 4.4 1.0 4.5 49 59 A V H <>S+ 0 0 2 -4,-2.3 5,-1.2 1,-0.2 4,-0.5 0.949 111.7 45.7 -50.7 -49.3 6.6 2.2 7.3 50 60 A R H ><5S+ 0 0 84 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.856 106.7 58.9 -64.0 -39.7 7.0 -1.4 8.6 51 61 A A H 3<5S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.832 97.3 60.0 -64.8 -30.6 7.6 -2.7 5.1 52 62 A T T 3<5S- 0 0 19 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.754 127.3 -98.6 -65.6 -19.9 10.7 -0.5 4.7 53 63 A G T < 5 + 0 0 17 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.357 68.1 153.7 119.1 -1.6 12.1 -2.3 7.8 54 64 A A < - 0 0 0 -5,-1.2 -1,-0.3 1,-0.2 3,-0.1 -0.442 21.7-177.0 -66.7 133.7 11.4 0.0 10.7 55 65 A D S S+ 0 0 8 1,-0.3 2,-0.3 -23,-0.3 -1,-0.2 0.545 73.0 14.8 -97.7 -23.9 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 -0.990 63.7-155.9-158.8 146.7 10.2 1.5 16.0 57 67 A I E - e 0 89B 2 31,-1.2 33,-2.1 -2,-0.3 2,-0.4 -0.839 20.3-120.7-124.6 163.2 9.1 5.0 15.2 58 68 A L E -de 35 90B 4 -24,-2.7 -22,-2.3 -2,-0.3 2,-0.3 -0.888 22.4-166.9-107.4 135.7 9.4 8.3 17.1 59 69 A G E -de 36 91B 4 31,-3.2 33,-2.3 -2,-0.4 2,-0.5 -0.843 20.5-121.2-115.1 162.4 6.3 10.3 18.2 60 70 A N E > - e 0 92B 7 -24,-0.6 4,-1.8 -23,-0.4 5,-0.3 -0.866 11.9-163.1-114.5 123.7 6.4 13.9 19.5 61 71 A T H > S+ 0 0 0 31,-0.8 4,-2.0 -2,-0.5 5,-0.2 0.965 91.8 51.5 -60.3 -54.5 5.1 15.1 22.9 62 72 A Y H > S+ 0 0 19 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.905 113.3 43.4 -51.2 -51.2 5.0 18.8 22.1 63 73 A H H > S+ 0 0 48 1,-0.2 4,-3.2 2,-0.2 3,-0.4 0.950 115.0 44.4 -66.9 -51.7 3.0 18.3 18.9 64 74 A L H <>S+ 0 0 0 -4,-1.8 5,-3.4 1,-0.2 -1,-0.2 0.859 107.9 58.9 -66.2 -31.7 0.3 15.8 19.9 65 75 A M H <5S+ 0 0 33 -4,-2.0 5,-0.3 -5,-0.3 -1,-0.2 0.855 114.0 39.4 -63.2 -35.5 -0.3 17.6 23.2 66 76 A L H <5S+ 0 0 97 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.927 121.2 45.6 -76.4 -52.1 -1.3 20.6 21.2 67 77 A R T <5S- 0 0 200 -4,-3.2 -1,-0.3 1,-0.1 -2,-0.1 -0.950 132.9 -5.2-143.9 119.7 -3.1 18.6 18.4 68 78 A P T 5S- 0 0 38 0, 0.0 -3,-0.2 0, 0.0 -1,-0.1 -0.979 104.9-115.8 -90.2 2.9 -5.1 16.4 18.9 69 79 A G >< - 0 0 15 -5,-3.4 4,-2.3 -6,-0.2 -4,-0.2 0.152 10.4-114.1 106.2 135.5 -4.4 16.5 22.7 70 80 A A H > S+ 0 0 1 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.921 115.2 49.2 -71.3 -46.3 -3.0 13.8 25.0 71 81 A E H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 110.4 52.9 -58.6 -41.7 -6.1 13.2 27.0 72 82 A R H > S+ 0 0 154 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.952 109.1 48.2 -62.0 -46.9 -8.1 12.9 23.8 73 83 A I H <>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 4,-0.3 0.927 110.7 51.4 -61.9 -39.1 -5.7 10.3 22.4 74 84 A A H ><5S+ 0 0 36 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.929 108.6 51.9 -61.8 -41.3 -5.8 8.3 25.7 75 85 A K H 3<5S+ 0 0 165 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.863 108.5 52.1 -59.2 -39.3 -9.6 8.4 25.6 76 86 A L T 3<5S- 0 0 91 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.459 134.0 -84.2 -83.7 3.7 -9.5 7.0 22.1 77 87 A G T < 5S- 0 0 52 -3,-1.6 4,-0.4 -4,-0.3 -3,-0.2 0.355 73.1 -75.4 117.9 -5.6 -7.2 4.1 23.0 78 88 A G >< - 0 0 9 -5,-3.1 4,-2.7 -6,-0.2 50,-0.2 -0.190 58.6 -66.9 99.2 165.1 -3.7 5.5 22.9 79 89 A L H > S+ 0 0 1 48,-2.7 4,-2.5 1,-0.2 6,-0.4 0.847 127.0 56.4 -63.3 -37.3 -1.3 6.5 20.1 80 90 A H H >>S+ 0 0 8 47,-0.5 5,-1.4 2,-0.2 4,-1.2 0.945 114.3 37.0 -62.2 -50.1 -0.8 3.0 18.8 81 91 A S H 45S+ 0 0 86 -4,-0.4 3,-0.3 2,-0.2 -2,-0.2 0.928 115.8 55.7 -67.4 -48.9 -4.5 2.3 18.2 82 92 A F H <5S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.901 119.5 28.3 -48.6 -56.5 -5.1 5.9 17.0 83 93 A M H <5S- 0 0 30 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.522 107.0-113.6 -90.0 -8.6 -2.5 5.8 14.2 84 94 A G T <5S+ 0 0 51 -4,-1.2 2,-0.6 -3,-0.3 -3,-0.2 0.790 73.4 127.2 82.3 21.9 -2.4 2.1 13.3 85 95 A W < + 0 0 8 -5,-1.4 -1,-0.2 -6,-0.4 -2,-0.2 -0.963 28.7 176.6-114.9 111.0 1.2 1.4 14.5 86 96 A D + 0 0 118 -2,-0.6 -1,-0.1 -3,-0.1 3,-0.1 0.361 54.7 84.1 -94.9 4.7 1.2 -1.6 16.9 87 97 A R S S- 0 0 68 1,-0.2 -62,-0.2 -7,-0.1 -31,-0.1 -0.294 94.2 -52.7 -97.0 177.9 5.0 -1.8 17.4 88 98 A P - 0 0 0 0, 0.0 -31,-1.2 0, 0.0 2,-0.4 -0.215 49.5-162.4 -57.2 150.1 7.2 0.2 19.8 89 99 A I E -e 57 0B 1 -33,-0.2 41,-2.7 39,-0.2 42,-2.1 -0.997 8.4-156.8-133.4 129.6 7.1 4.0 19.9 90 100 A L E -ef 58 131B 0 -33,-2.1 -31,-3.2 -2,-0.4 2,-0.5 -0.892 15.1-158.6 -96.3 126.0 9.7 6.3 21.4 91 101 A T E -ef 59 132B 0 40,-2.3 42,-0.9 -2,-0.5 -31,-0.2 -0.893 12.5-132.7-107.8 132.1 8.2 9.7 22.4 92 102 A D E -e 60 0B 12 -33,-2.3 -31,-0.8 -2,-0.5 43,-0.1 -0.497 24.2-119.2 -75.9 163.6 10.4 12.8 22.8 93 103 A S - 0 0 0 41,-0.3 -1,-0.1 -32,-0.1 30,-0.1 0.625 37.9-119.6 -82.7 -16.1 9.7 14.7 26.0 94 104 A G S > S+ 0 0 0 -33,-0.1 4,-2.4 21,-0.0 3,-0.2 -0.133 86.7 102.4 107.8 -38.1 8.7 18.0 24.3 95 105 A G H > S+ 0 0 8 1,-0.2 4,-1.0 2,-0.2 43,-0.4 0.597 79.3 60.3 -61.3 -7.3 11.2 20.6 25.6 96 106 A Y H > S+ 0 0 78 2,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.944 110.2 35.7 -82.9 -55.7 13.1 20.4 22.3 97 107 A Q H > S+ 0 0 18 -3,-0.2 4,-4.3 2,-0.2 -2,-0.2 0.826 113.3 60.6 -67.2 -32.7 10.3 21.5 19.9 98 108 A V H < S+ 0 0 25 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.971 107.4 45.7 -58.3 -49.0 9.1 23.9 22.6 99 109 A M H < S+ 0 0 77 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.766 126.8 30.3 -62.6 -24.0 12.5 25.6 22.4 100 110 A S H < 0 0 72 -4,-1.0 -2,-0.2 1,-0.1 -3,-0.2 0.824 360.0 360.0-105.6 -36.4 12.4 25.6 18.6 101 111 A L < 0 0 108 -4,-4.3 -3,-0.2 -5,-0.1 -2,-0.1 0.516 360.0 360.0 -90.1 360.0 8.7 25.9 17.5 102 ! 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 0.0 103 116 A K 0 0 84 0, 0.0 7,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 98.8 8.4 31.1 29.9 104 117 A Q B +K 109 0C 118 5,-0.2 2,-0.3 3,-0.1 5,-0.2 -0.819 360.0 142.6-103.6 118.2 11.3 29.1 31.4 105 118 A S - 0 0 57 3,-2.7 3,-0.3 -2,-0.5 0, 0.0 -0.845 63.8 -89.8-141.4 178.2 11.8 28.3 35.0 106 119 A E S S+ 0 0 60 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.714 124.1 56.7 -60.9 -28.8 13.0 25.6 37.5 107 120 A E S S- 0 0 121 1,-0.2 2,-0.3 9,-0.1 -1,-0.2 0.862 122.2 -94.8 -73.2 -39.2 9.4 24.2 37.4 108 121 A G - 0 0 3 -3,-0.3 -3,-2.7 8,-0.2 2,-0.4 -0.944 54.0 -53.5 162.4-128.9 9.3 23.7 33.6 109 122 A V B -KL 104 115C 9 6,-4.0 6,-2.9 -2,-0.3 2,-0.4 -0.980 26.9-156.5-149.6 137.6 8.1 25.9 30.8 110 123 A T + 0 0 78 -7,-2.5 2,-0.3 -2,-0.4 -2,-0.0 -0.932 29.4 167.2-107.3 136.3 4.9 27.7 29.9 111 124 A F 0 0 56 -2,-0.4 -13,-0.0 -7,-0.0 -2,-0.0 -0.895 360.0 360.0-144.7 168.9 4.4 28.5 26.2 112 125 A K 0 0 136 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.941 360.0 360.0-108.8 360.0 1.9 29.6 23.5 113 ! 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 0.0 114 134 A M 0 0 125 0, 0.0 2,-0.3 0, 0.0 -4,-0.3 0.000 360.0 360.0 360.0 132.0 2.8 24.2 30.4 115 135 A L B +L 109 0C 0 -6,-2.9 -6,-4.0 4,-0.1 3,-0.0 -0.961 360.0 154.6-137.3 126.7 5.5 21.5 30.3 116 136 A S > - 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0 0 28 -3,-1.2 -3,-0.2 -4,-0.7 -39,-0.2 0.785 43.0-173.9 75.6 34.9 0.9 4.9 25.6 129 149 A S < - 0 0 12 -5,-2.6 3,-0.2 1,-0.1 -39,-0.2 -0.240 23.7-157.3 -60.6 148.1 4.7 5.4 24.8 130 150 A D S S+ 0 0 8 -41,-2.7 47,-2.6 1,-0.3 2,-0.6 0.791 87.6 35.0 -92.0 -40.6 7.1 2.5 25.0 131 151 A I E S-fg 90 177B 0 -42,-2.1 -40,-2.3 45,-0.2 2,-0.4 -0.932 79.1-160.8-121.1 108.0 10.3 4.5 25.4 132 152 A V E -fg 91 178B 0 45,-2.8 47,-2.6 -2,-0.6 2,-0.4 -0.732 9.8-141.3 -84.3 127.7 9.7 7.7 27.5 133 153 A M E - g 0 179B 0 -42,-0.9 47,-0.2 -2,-0.4 -9,-0.1 -0.813 21.3-113.4 -93.4 133.5 12.3 10.4 27.2 134 154 A A - 0 0 2 45,-2.5 2,-0.6 -2,-0.4 -41,-0.3 -0.236 36.7-106.2 -54.0 149.1 13.4 12.4 30.3 135 155 A F + 0 0 2 23,-0.3 2,-0.2 24,-0.1 27,-0.2 -0.744 52.1 171.2 -87.6 122.8 12.4 16.0 30.2 136 156 A D - 0 0 10 -2,-0.6 2,-0.6 22,-0.1 -41,-0.1 -0.706 40.9-116.0-124.2 168.4 15.4 18.2 29.5 137 157 A E - 0 0 27 14,-0.3 18,-0.1 -2,-0.2 -41,-0.1 -0.963 36.8-139.0-101.8 106.7 16.5 21.8 28.7 138 158 A C - 0 0 25 -2,-0.6 45,-0.1 -43,-0.4 17,-0.0 -0.356 15.7-133.2 -67.2 153.8 18.1 21.6 25.3 139 159 A T - 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0 0 22 4,-0.1 -1,-0.4 2,-0.1 2,-0.1 -0.508 50.6-127.8 -65.5 137.1 27.4 21.5 15.2 216 236 A G > - 0 0 46 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.383 31.7 -97.7 -77.9 164.7 29.1 20.5 12.0 217 237 A Q H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.846 120.8 55.1 -61.0 -34.1 30.1 16.8 11.7 218 238 A D H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.974 112.3 41.5 -62.5 -53.5 33.7 17.3 12.8 219 239 A E H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.905 113.6 54.2 -56.9 -44.3 32.7 19.0 16.1 220 240 A M H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.942 110.0 47.0 -59.2 -42.8 29.9 16.5 16.6 221 241 A F H X S+ 0 0 17 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.899 108.5 53.5 -66.7 -39.4 32.3 13.5 16.2 222 242 A R H X S+ 0 0 104 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.906 111.1 47.0 -64.9 -35.6 34.9 14.9 18.5 223 243 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 3,-0.4 0.902 112.3 48.8 -71.7 -42.0 32.3 15.3 21.2 224 244 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.896 100.6 69.3 -58.9 -39.1 31.0 11.8 20.7 225 245 A D H < S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 117.2 19.8 -47.8 -43.4 34.6 10.6 20.8 226 246 A F H < S+ 0 0 28 -4,-1.0 4,-0.4 -3,-0.4 -1,-0.2 0.729 122.3 59.8 -96.9 -26.0 34.8 11.4 24.5 227 247 A S H >X S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.5 0.902 97.4 53.9 -77.5 -43.8 31.1 11.5 25.4 228 248 A V G >< S+ 0 0 5 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.925 101.3 57.1 -67.0 -37.9 29.9 8.0 24.6 229 249 A P G 34 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.728 98.0 65.5 -66.6 -10.4 32.5 6.1 26.6 230 250 A M G <4 S+ 0 0 27 -3,-1.1 -2,-0.2 -4,-0.4 -3,-0.1 0.746 88.9 83.9 -78.0 -16.7 31.2 7.9 29.7 231 251 A L S << S- 0 0 7 -3,-2.0 -35,-0.1 -4,-0.5 6,-0.1 -0.560 101.5 -85.6 -85.9 150.3 27.9 6.3 29.3 232 252 A P > - 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0 0 15 -228,-0.7 -226,-0.5 -2,-0.3 4,-0.3 -0.933 41.3-140.8-167.1 145.1 16.0 12.4 12.1 262 282 A V S > S+ 0 0 44 -2,-0.3 4,-2.3 1,-0.2 5,-0.5 0.504 78.9 100.8 -87.2 -0.8 13.4 14.1 9.9 263 283 A L H >>S+ 0 0 39 1,-0.2 4,-2.0 3,-0.2 5,-0.6 0.893 80.2 44.7 -52.5 -51.5 16.0 14.3 7.0 264 284 A P H 45S+ 0 0 0 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.871 122.4 35.4 -71.0 -34.1 14.6 11.3 4.9 265 285 A T H >5S+ 0 0 6 -4,-0.3 4,-2.5 -3,-0.2 5,-0.2 0.953 124.5 40.1 -74.2 -59.3 10.9 12.3 5.2 266 286 A R H X5S+ 0 0 121 -4,-2.3 4,-0.9 1,-0.2 -3,-0.2 0.951 121.9 40.4 -54.8 -57.5 11.2 16.1 5.1 267 287 A S H <>S+ 0 0 10 -4,-2.0 5,-2.3 -5,-0.5 4,-0.3 0.780 110.7 62.0 -68.4 -25.6 13.9 16.2 2.5 268 288 A G H >4 - 0 0 3 3,-0.3 3,-2.1 -2,-0.3 20,-0.1 -0.929 47.5-112.4-137.3 156.2 21.5 6.9 -3.2 276 296 A W T 3 S+ 0 0 11 1,-0.3 86,-0.1 -2,-0.3 19,-0.1 0.604 122.7 58.0 -66.3 -16.9 24.7 4.9 -2.3 277 297 A D T 3 S- 0 0 84 1,-0.4 -1,-0.3 85,-0.1 84,-0.1 0.115 128.1 -91.5 -93.8 14.9 26.3 7.3 -4.7 278 298 A G < - 0 0 3 -3,-2.1 -1,-0.4 2,-0.0 -3,-0.3 -0.284 63.3 -36.4 98.4 174.5 25.1 10.2 -2.5 279 299 A P - 0 0 65 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.419 51.3-163.9 -75.2 146.9 22.0 12.4 -2.5 280 300 A I E -M 273 0D 31 -7,-2.8 -7,-2.8 -2,-0.1 2,-0.9 -0.951 19.9-133.5-124.3 149.8 20.2 13.6 -5.7 281 301 A N E > -M 272 0D 76 -2,-0.3 3,-2.4 -9,-0.2 -9,-0.2 -0.863 16.8-162.7-101.6 105.5 17.7 16.4 -6.3 282 302 A I T 3 S+ 0 0 0 -11,-2.9 5,-0.2 -2,-0.9 -1,-0.1 0.711 82.2 69.8 -66.5 -17.5 15.1 14.7 -8.3 283 303 A R T 3 S+ 0 0 106 -12,-0.3 -1,-0.3 -13,-0.2 -11,-0.1 0.628 75.2 114.9 -66.9 -13.2 13.6 18.0 -9.5 284 304 A N S X S- 0 0 63 -3,-2.4 3,-2.3 -13,-0.2 4,-0.2 -0.292 77.1-124.6 -67.9 142.5 16.7 18.6 -11.5 285 305 A A G > S+ 0 0 64 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.780 102.8 77.2 -60.3 -27.0 16.2 18.8 -15.2 286 306 A R G 3 S+ 0 0 171 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.548 95.3 50.6 -58.3 -10.4 18.8 16.0 -15.8 287 307 A F G X S+ 0 0 8 -3,-2.3 3,-1.9 -5,-0.2 -1,-0.3 0.419 74.0 104.2-105.9 -1.4 16.1 13.5 -14.6 288 308 A S T < S+ 0 0 59 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.773 101.3 19.4 -56.8 -26.0 13.2 14.5 -16.8 289 309 A E T 3 S+ 0 0 170 -4,-0.2 2,-0.8 -3,-0.2 -1,-0.3 0.010 90.2 131.3-131.0 25.7 13.7 11.4 -19.1 290 310 A D < - 0 0 23 -3,-1.9 19,-2.4 1,-0.2 20,-0.3 -0.676 33.6-173.3 -85.4 109.6 15.8 9.3 -16.7 291 311 A L + 0 0 149 -2,-0.8 -1,-0.2 17,-0.2 -4,-0.0 0.529 50.8 106.2 -84.1 -2.3 14.2 5.8 -16.8 292 312 A K S S- 0 0 118 15,-0.1 16,-2.6 1,-0.1 17,-0.2 -0.470 78.3-104.3 -74.9 153.7 16.5 4.5 -14.0 293 313 A P - 0 0 40 0, 0.0 14,-0.1 0, 0.0 3,-0.1 -0.173 41.4 -95.5 -63.4 167.6 15.1 3.9 -10.5 294 314 A L S S+ 0 0 0 12,-0.3 2,-0.4 1,-0.2 -2,-0.1 0.895 113.2 20.6 -53.8 -42.5 16.0 6.5 -7.8 295 315 A D S S- 0 0 2 3,-0.1 -1,-0.2 -20,-0.1 3,-0.2 -0.999 75.5-131.9-138.1 141.5 18.9 4.2 -6.7 296 316 A S S S+ 0 0 76 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.669 104.5 23.3 -61.3 -27.5 20.6 1.4 -8.7 297 317 A E S S+ 0 0 87 -4,-0.0 -1,-0.2 2,-0.0 -22,-0.0 0.570 83.9 130.2-121.3 -12.0 20.5 -1.2 -6.0 298 318 A C - 0 0 13 -3,-0.2 -3,-0.1 1,-0.2 35,-0.1 -0.202 42.8-156.5 -51.0 133.5 17.6 -0.2 -3.7 299 319 A H + 0 0 165 33,-0.1 -1,-0.2 4,-0.0 5,-0.1 0.287 51.0 124.8 -95.9 8.2 15.2 -3.0 -3.0 300 320 A C S > S- 0 0 11 1,-0.1 4,-1.4 29,-0.1 5,-0.1 -0.228 73.1-116.9 -71.0 158.4 12.2 -0.8 -2.2 301 321 A A H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.881 114.6 58.2 -57.3 -38.4 8.9 -1.0 -4.0 302 322 A V H >> S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 3,-0.6 0.963 108.8 42.6 -61.8 -51.5 9.4 2.5 -5.3 303 323 A C H 34 S+ 0 0 16 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.728 112.1 56.9 -69.4 -16.3 12.6 1.6 -7.1 304 324 A Q H 3< S+ 0 0 72 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.851 122.0 22.1 -75.6 -31.9 11.0 -1.7 -8.2 305 325 A K H << S+ 0 0 127 -4,-1.6 2,-0.3 -3,-0.6 -2,-0.2 0.743 112.7 49.9-113.4 -36.0 8.1 0.1 -10.0 306 326 A W < - 0 0 95 -4,-2.9 -12,-0.3 -5,-0.2 2,-0.2 -0.808 62.8-130.0-124.2 158.6 8.8 3.7 -10.9 307 327 A S > - 0 0 22 -2,-0.3 4,-2.5 -14,-0.1 5,-0.2 -0.612 27.0-114.4 -97.8 161.6 11.4 5.8 -12.7 308 328 A R H > S+ 0 0 33 -16,-2.6 4,-3.2 -18,-0.3 5,-0.2 0.894 117.3 57.9 -49.6 -43.0 13.3 8.9 -11.8 309 329 A A H > S+ 0 0 15 -19,-2.4 4,-2.3 -17,-0.2 -1,-0.2 0.922 107.8 44.7 -64.6 -40.3 11.5 10.6 -14.7 310 330 A Y H > S+ 0 0 86 -20,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.937 115.6 46.1 -64.9 -46.6 8.1 9.8 -13.3 311 331 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.851 109.9 56.5 -70.8 -32.2 9.0 10.9 -9.8 312 332 A H H X S+ 0 0 16 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.943 108.9 46.4 -55.0 -52.5 10.6 14.0 -11.3 313 333 A H H X S+ 0 0 105 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.953 111.6 50.8 -60.3 -48.8 7.3 14.8 -12.9 314 334 A L H <>S+ 0 0 7 -4,-2.5 5,-2.9 1,-0.2 4,-0.2 0.885 112.6 45.4 -56.0 -43.7 5.2 14.2 -9.8 315 335 A I H ><5S+ 0 0 12 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.942 111.5 51.2 -72.0 -38.9 7.3 16.4 -7.6 316 336 A R H 3<5S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.878 111.9 49.3 -62.4 -30.0 7.5 19.2 -10.1 317 337 A A T 3<5S- 0 0 53 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.433 112.0-122.0 -87.0 1.5 3.8 19.0 -10.3 318 338 A G T < 5 + 0 0 67 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.2 0.853 51.8 168.3 60.0 34.4 3.4 19.1 -6.5 319 339 A E >>< - 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