==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 25-JUL-03 1Q2R . COMPND 2 MOLECULE: RNA (5'-R(*AP*GP*CP*AP*CP*GP*GP*CP*UP*(N) . SOURCE 2 SYNTHETIC: YES; . AUTHOR W.XIE,X.LIU,R.H.HUANG . 1496 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1096 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 16 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 . 2 0.1 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 . 85 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 550 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 2.7 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 4 7 11 7 2 3 5 5 3 0 6 2 0 0 0 0 0 0 0 0 4 0 1 2 1 0 0 RESIDUES PER ALPHA HELIX . 4 8 8 12 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 4 0 8 4 0 0 4 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 . 4 8 0 0 0 0 0 4 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 0 177 0, 0.0 22,-0.2 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 131.9 66.0 -35.3 48.3 2 12 A P - 0 0 46 0, 0.0 3,-0.2 0, 0.0 183,-0.0 -0.151 360.0-137.4 -62.4 153.6 62.6 -33.6 49.0 3 13 A R S S- 0 0 72 1,-0.2 20,-0.6 19,-0.2 2,-0.3 0.965 87.1 -17.3 -71.9 -55.9 60.4 -32.0 46.4 4 14 A F E +A 22 0A 27 18,-0.2 2,-0.4 19,-0.1 -1,-0.2 -0.808 68.5 167.3-158.2 109.9 59.6 -28.9 48.5 5 15 A S E -A 21 0A 48 16,-1.6 16,-1.7 -2,-0.3 2,-0.4 -0.870 13.6-165.1-133.7 103.2 60.0 -28.5 52.2 6 16 A F E +A 20 0A 30 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.678 11.8 179.7 -86.5 134.5 59.8 -25.1 54.0 7 17 A S E -A 19 0A 54 12,-2.1 12,-2.0 -2,-0.4 2,-0.6 -0.956 21.1-147.5-141.6 120.7 61.1 -24.9 57.5 8 18 A I E +A 18 0A 51 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.762 18.2 175.1 -87.2 123.3 61.2 -22.0 59.8 9 19 A A E + 0 0 89 8,-2.0 2,-0.3 -2,-0.6 9,-0.2 0.595 65.6 14.4-101.5 -17.9 64.3 -22.1 62.1 10 20 A A E -A 17 0A 21 7,-1.8 7,-1.9 2,-0.0 2,-0.3 -0.992 61.4-165.9-157.7 152.2 63.9 -18.8 63.8 11 21 A R E +A 16 0A 108 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.939 11.4 176.4-139.9 159.4 61.4 -16.0 64.4 12 22 A E E > S-A 15 0A 38 3,-2.5 3,-1.4 1,-0.3 2,-0.2 -0.680 70.7 -44.2-164.2 105.2 61.2 -12.4 65.6 13 23 A G T 3 S- 0 0 74 1,-0.3 -1,-0.3 -2,-0.2 251,-0.1 -0.502 122.7 -26.8 66.9-136.9 57.9 -10.5 65.4 14 24 A K T 3 S+ 0 0 92 249,-0.6 -1,-0.3 -2,-0.2 250,-0.1 0.720 123.2 94.6 -81.2 -20.5 56.3 -11.3 62.1 15 25 A A E < +A 12 0A 1 -3,-1.4 -3,-2.5 248,-0.3 2,-0.3 -0.333 51.3 173.7 -72.5 151.5 59.8 -11.9 60.5 16 26 A R E -A 11 0A 4 250,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.978 19.0-150.9-159.8 145.4 61.3 -15.3 60.3 17 27 A T E +A 10 0A 10 -7,-1.9 -8,-2.0 -2,-0.3 -7,-1.8 -0.912 37.6 111.7-119.3 145.9 64.3 -17.1 58.8 18 28 A G E -AB 8 29A 5 11,-1.8 11,-2.9 -2,-0.4 2,-0.3 -0.851 50.2 -86.3-175.2-149.1 64.6 -20.7 57.5 19 29 A T E -AB 7 28A 47 -12,-2.0 -12,-2.1 9,-0.2 2,-0.5 -0.990 10.8-139.7-150.0 158.2 65.1 -22.7 54.4 20 30 A I E -AB 6 27A 0 7,-2.0 7,-3.1 -2,-0.3 2,-0.6 -0.982 22.2-151.1-119.8 123.2 63.3 -24.3 51.5 21 31 A E E +AB 5 26A 71 -16,-1.7 -16,-1.6 -2,-0.5 2,-0.3 -0.848 23.2 165.1-100.2 122.9 64.5 -27.7 50.4 22 32 A M E > -AB 4 25A 0 3,-2.3 3,-1.1 -2,-0.6 -19,-0.2 -0.860 49.8-101.9-130.4 165.7 64.1 -28.8 46.8 23 33 A K T 3 S+ 0 0 75 -20,-0.6 -20,-0.1 162,-0.3 3,-0.1 0.886 120.9 42.7 -52.0 -45.1 65.5 -31.4 44.5 24 34 A R T 3 S- 0 0 98 1,-0.2 2,-0.3 -21,-0.2 -1,-0.3 0.539 127.9 -50.1 -85.1 -4.6 67.9 -29.0 42.8 25 35 A G E < -B 22 0A 1 -3,-1.1 -3,-2.3 62,-0.2 2,-0.4 -0.938 58.9 -72.3 158.8 177.3 69.1 -27.2 46.0 26 36 A V E -B 21 0A 46 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.836 30.9-151.8-105.9 144.1 68.4 -25.4 49.2 27 37 A I E -B 20 0A 0 -7,-3.1 -7,-2.0 -2,-0.4 2,-0.1 -0.916 9.7-148.9-118.9 105.4 67.0 -21.9 49.4 28 38 A R E -B 19 0A 77 -2,-0.6 -9,-0.2 -9,-0.2 27,-0.1 -0.424 33.3-105.0 -67.1 141.9 67.9 -19.9 52.5 29 39 A T E S+B 18 0A 0 -11,-2.9 -11,-1.8 -2,-0.1 2,-0.2 -0.969 98.7 43.6-135.4 151.7 65.2 -17.4 53.5 30 40 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 238,-0.2 0.479 94.2-178.3 -55.4 144.5 64.5 -14.6 53.6 31 41 A A E -c 268 0B 3 236,-2.2 238,-1.8 -2,-0.2 2,-0.5 -0.920 29.8-147.3-127.3 151.3 65.9 -14.9 50.0 32 42 A F E -c 269 0B 3 -2,-0.3 24,-0.3 236,-0.2 23,-0.3 -0.984 13.8-158.8-117.7 123.9 66.4 -12.6 47.1 33 43 A M E -c 270 0B 0 236,-3.4 238,-0.8 -2,-0.5 24,-0.2 -0.907 15.3-135.2-104.6 113.1 66.1 -14.2 43.7 34 44 A P E -c 271 0B 0 0, 0.0 24,-1.8 0, 0.0 2,-0.6 -0.322 25.9-113.1 -62.9 147.7 67.8 -12.3 40.8 35 45 A V B +d 58 0B 10 236,-0.6 7,-0.4 22,-0.2 2,-0.2 -0.756 35.7 172.7 -91.6 121.1 65.8 -11.8 37.7 36 46 A G >> + 0 0 1 22,-3.3 3,-1.4 -2,-0.6 4,-0.6 -0.504 10.7 170.0-121.9 62.0 66.9 -13.7 34.6 37 47 A T T 34 S+ 0 0 28 1,-0.3 23,-1.7 22,-0.2 2,-0.6 0.837 72.3 35.9 -36.8 -67.9 64.0 -13.0 32.2 38 48 A A T 34 S- 0 0 18 2,-0.4 -1,-0.3 21,-0.1 3,-0.1 -0.207 133.7 -75.3 -89.6 44.2 65.3 -14.2 28.9 39 49 A A T <4 S+ 0 0 0 -3,-1.4 2,-0.3 -2,-0.6 -2,-0.2 0.909 112.9 79.6 66.5 42.4 67.2 -17.2 30.2 40 50 A T S < S- 0 0 0 -4,-0.6 2,-1.0 5,-0.0 -2,-0.4 -0.870 76.6-127.8-174.5 139.5 70.0 -15.0 31.5 41 51 A V > - 0 0 3 3,-0.5 3,-2.2 -2,-0.3 -5,-0.2 -0.872 59.9 -97.1 -94.6 103.9 70.8 -12.8 34.5 42 52 A K T 3 S- 0 0 47 -2,-1.0 3,-0.1 -7,-0.4 -1,-0.1 0.171 96.0 -7.4 -25.1 119.6 71.8 -9.6 32.6 43 53 A A T 3 S+ 0 0 0 1,-0.1 2,-0.4 294,-0.1 -1,-0.3 0.532 111.8 101.9 66.5 11.3 75.6 -9.3 32.3 44 54 A L < - 0 0 4 -3,-2.2 -3,-0.5 293,-0.1 -1,-0.1 -0.967 65.3-131.7-131.6 143.3 76.5 -12.2 34.5 45 55 A K >> - 0 0 17 -2,-0.4 4,-2.3 1,-0.1 3,-0.7 -0.565 35.9-112.3 -81.1 152.0 77.7 -15.8 34.1 46 56 A P H 3> S+ 0 0 8 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.902 119.3 55.1 -52.1 -41.4 75.7 -18.4 36.2 47 57 A E H 3> S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.862 106.8 50.8 -60.6 -35.7 78.9 -19.0 38.2 48 58 A T H <> S+ 0 0 23 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.946 109.2 50.7 -67.1 -46.9 79.1 -15.3 39.0 49 59 A V H X>S+ 0 0 1 -4,-2.3 5,-1.2 1,-0.2 4,-0.8 0.939 112.0 47.0 -54.6 -48.4 75.5 -15.2 40.1 50 60 A R H ><5S+ 0 0 80 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.872 105.9 60.7 -62.1 -35.9 76.1 -18.2 42.4 51 61 A A H 3<5S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.873 97.4 58.1 -59.5 -38.9 79.3 -16.5 43.7 52 62 A T H 3<5S- 0 0 18 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.768 125.9 -98.3 -63.8 -26.6 77.3 -13.5 45.0 53 63 A G T <<5 + 0 0 17 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.358 69.2 149.2 126.3 -4.9 75.3 -15.9 47.1 54 64 A A < - 0 0 0 -5,-1.2 -1,-0.3 1,-0.1 3,-0.1 -0.337 25.3-172.4 -63.5 140.5 72.0 -16.5 45.2 55 65 A D S S+ 0 0 9 1,-0.3 2,-0.3 -23,-0.3 -1,-0.1 0.573 75.2 20.9-104.2 -18.5 70.4 -20.0 45.8 56 66 A I - 0 0 0 -24,-0.3 -1,-0.3 31,-0.1 2,-0.2 -0.981 63.2-163.1-153.9 136.0 67.7 -19.5 43.1 57 67 A I E - e 0 89B 3 31,-1.1 33,-2.1 -2,-0.3 2,-0.4 -0.640 21.6-124.7-110.6 175.9 67.3 -17.3 40.0 58 68 A L E -de 35 90B 5 -24,-1.8 -22,-3.3 31,-0.2 2,-0.3 -0.968 16.6-165.8-132.2 140.5 64.1 -16.5 38.2 59 69 A G E - e 0 91B 2 31,-2.2 33,-2.2 -2,-0.4 2,-0.4 -0.828 22.0-119.6-118.3 159.8 63.0 -16.9 34.5 60 70 A N E > - e 0 92B 8 -23,-1.7 4,-1.8 -24,-0.3 5,-0.2 -0.868 7.7-156.3-109.3 132.8 60.0 -15.4 32.7 61 71 A T H > S+ 0 0 0 31,-1.9 4,-1.9 -2,-0.4 -1,-0.1 0.935 91.8 46.3 -65.6 -54.3 57.2 -17.4 31.0 62 72 A Y H > S+ 0 0 1 30,-0.2 4,-1.6 2,-0.2 5,-0.2 0.937 116.0 44.6 -58.7 -51.0 55.9 -14.9 28.5 63 73 A H H >> S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.966 115.0 45.0 -61.2 -54.4 59.3 -13.8 27.3 64 74 A L H 3<>S+ 0 0 0 -4,-1.8 5,-2.4 -27,-0.3 -1,-0.2 0.826 106.5 63.4 -59.5 -31.9 60.9 -17.2 26.9 65 75 A M H 3<>S+ 0 0 18 -4,-1.9 5,-0.6 4,-0.2 -1,-0.2 0.934 110.7 37.2 -55.6 -48.3 57.7 -18.4 25.2 66 76 A L H <<5S+ 0 0 31 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.889 119.7 54.8 -70.7 -43.4 58.4 -15.9 22.4 67 77 A R T <5S- 0 0 94 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 -0.957 129.0 -9.6-152.0 129.5 62.1 -16.4 22.4 68 78 A P T 5S- 0 0 15 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.962 108.7-117.4 -83.2 11.4 63.8 -18.8 22.1 69 79 A G T >< - 0 0 14 -5,-2.4 4,-1.9 -6,-0.2 -4,-0.2 0.147 7.8-111.2 102.7 139.3 60.5 -20.6 22.5 70 80 A A H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.889 113.5 53.5 -51.2 -41.5 59.0 -26.1 23.0 72 82 A R H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 108.6 46.4 -63.0 -43.6 62.5 -25.3 21.7 73 83 A I H <>S+ 0 0 0 -4,-1.9 5,-2.8 -3,-0.2 4,-0.3 0.937 111.4 53.6 -64.9 -40.9 64.0 -25.0 25.1 74 84 A A H ><5S+ 0 0 34 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.954 110.1 47.5 -55.0 -50.2 62.3 -28.2 26.1 75 85 A K H 3<5S+ 0 0 141 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.866 105.9 58.0 -59.0 -38.7 63.9 -29.9 23.1 76 86 A L T 3<5S- 0 0 10 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.421 133.1 -86.0 -76.4 5.8 67.3 -28.4 23.9 77 87 A G T < 5S- 0 0 53 -3,-1.7 4,-0.4 -4,-0.3 -3,-0.2 0.553 75.2 -66.1 105.9 7.8 67.2 -30.1 27.2 78 88 A G >< - 0 0 12 -5,-2.8 4,-2.5 -6,-0.2 60,-0.2 0.021 58.2 -74.9 96.1 156.6 65.4 -27.6 29.5 79 89 A L H > S+ 0 0 0 58,-2.2 4,-2.5 1,-0.2 5,-0.3 0.914 123.9 54.4 -56.1 -50.1 66.1 -24.2 30.8 80 90 A H H >>S+ 0 0 9 57,-0.5 5,-1.8 1,-0.2 4,-1.3 0.925 114.6 39.9 -51.2 -53.8 68.6 -25.2 33.4 81 91 A S H 45S+ 0 0 82 -4,-0.4 -1,-0.2 3,-0.2 -2,-0.2 0.905 112.9 57.7 -61.9 -44.6 70.8 -27.0 31.0 82 92 A F H <5S+ 0 0 7 -4,-2.5 612,-0.3 1,-0.2 -2,-0.2 0.913 118.4 27.7 -53.8 -52.2 70.3 -24.3 28.3 83 93 A M H <5S- 0 0 6 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.491 109.4-112.7 -94.7 -4.9 71.6 -21.4 30.4 84 94 A G T <5S+ 0 0 15 -4,-1.3 2,-0.4 -5,-0.3 -3,-0.2 0.872 75.2 121.7 79.7 35.7 74.0 -23.3 32.6 85 95 A W < + 0 0 9 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.947 30.6 176.9-131.8 109.7 72.3 -22.9 36.0 86 96 A D + 0 0 113 -2,-0.4 3,-0.1 -3,-0.1 -1,-0.1 0.546 51.3 91.8 -93.0 -6.7 71.5 -26.2 37.7 87 97 A R S S- 0 0 69 1,-0.2 -62,-0.2 -7,-0.1 -30,-0.2 -0.335 95.7 -57.5 -80.2 168.9 70.1 -24.9 41.0 88 98 A P - 0 0 0 0, 0.0 -31,-1.1 0, 0.0 2,-0.4 -0.080 53.4-162.1 -48.7 140.6 66.3 -24.2 41.5 89 99 A I E -e 57 0B 1 -33,-0.2 51,-2.4 49,-0.2 52,-1.6 -0.993 6.0-152.3-127.7 133.0 64.7 -21.7 39.1 90 100 A L E -ef 58 141B 0 -33,-2.1 -31,-2.2 -2,-0.4 2,-0.5 -0.902 10.7-155.6-106.2 131.9 61.4 -20.0 39.7 91 101 A T E -ef 59 142B 0 50,-2.0 52,-0.8 -2,-0.5 2,-0.3 -0.915 11.2-134.9-109.6 133.0 59.4 -19.0 36.6 92 102 A D E -e 60 0B 15 -33,-2.2 -31,-1.9 -2,-0.5 -30,-0.2 -0.628 18.7-126.7 -82.2 144.2 56.9 -16.1 36.8 93 103 A S - 0 0 0 51,-0.4 -1,-0.1 -2,-0.3 52,-0.1 0.788 42.0-107.9 -61.1 -31.7 53.6 -16.9 35.0 94 104 A G S >> S+ 0 0 0 -33,-0.1 4,-1.4 -32,-0.1 3,-0.8 0.269 84.9 125.4 115.5 -4.8 53.7 -13.8 32.8 95 105 A G T 34 + 0 0 0 1,-0.3 53,-2.1 49,-0.2 4,-0.2 0.653 68.9 61.0 -59.8 -15.7 50.9 -12.2 34.8 96 106 A Y T >> S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 3,-1.5 0.872 100.1 52.2 -78.6 -39.9 53.2 -9.2 35.3 97 107 A Q H <> S+ 0 0 12 -3,-0.8 4,-2.7 1,-0.3 -2,-0.2 0.834 92.6 74.0 -64.5 -30.0 53.4 -8.6 31.5 98 108 A V H 3< S+ 0 0 1 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.813 112.0 29.6 -52.3 -25.6 49.6 -8.6 31.5 99 109 A M H X4 S+ 0 0 34 -3,-1.5 3,-1.4 -4,-0.2 4,-0.2 0.868 120.1 48.0 -99.7 -50.7 50.2 -5.2 33.1 100 110 A S H 3< S+ 0 0 56 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.656 123.7 36.3 -68.0 -15.2 53.5 -3.9 31.8 101 111 A L T >< S+ 0 0 31 -4,-2.7 3,-2.1 -5,-0.2 -1,-0.3 0.121 76.7 130.0-121.8 18.6 52.4 -4.8 28.2 102 112 A S G X + 0 0 64 -3,-1.4 3,-4.1 1,-0.3 -2,-0.1 0.874 66.5 62.9 -38.3 -56.5 48.7 -3.9 28.6 103 113 A S G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.794 108.1 42.5 -42.1 -37.4 48.8 -1.8 25.4 104 114 A L G < S+ 0 0 51 -3,-2.1 11,-1.8 11,-0.0 -1,-0.3 0.216 105.6 96.3 -95.2 15.0 49.6 -4.9 23.4 105 115 A T E < -K 114 0C 28 -3,-4.1 2,-0.3 -4,-0.2 9,-0.2 -0.748 49.4-170.4-112.9 154.7 47.1 -7.0 25.4 106 116 A K E -K 113 0C 128 7,-1.4 7,-3.1 -2,-0.3 2,-0.1 -0.900 22.6-149.5-141.4 104.9 43.5 -8.2 24.9 107 117 A Q E +K 112 0C 63 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.375 23.8 155.9 -81.0 155.3 41.9 -9.9 28.0 108 118 A S E > -K 111 0C 47 3,-0.9 3,-0.8 -2,-0.1 -2,-0.0 -0.959 56.0 -96.8-168.1 157.9 39.2 -12.6 28.2 109 119 A E T 3 S+ 0 0 91 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.829 122.8 56.4 -51.7 -34.2 38.0 -15.3 30.6 110 120 A E T 3 S- 0 0 113 1,-0.2 2,-0.3 16,-0.1 -1,-0.3 0.891 126.0 -79.5 -66.2 -41.1 40.1 -17.8 28.7 111 121 A G E < -K 108 0C 0 -3,-0.8 -3,-0.9 15,-0.2 2,-0.5 -0.965 58.3 -56.3 165.6-164.2 43.3 -15.8 29.2 112 122 A V E -KL 107 125C 0 13,-2.0 13,-2.7 -2,-0.3 2,-0.7 -0.910 38.6-140.6-111.3 133.9 45.1 -12.8 27.8 113 123 A T E -KL 106 124C 24 -7,-3.1 -7,-1.4 -2,-0.5 2,-0.3 -0.821 21.8-161.2 -92.4 117.5 45.9 -12.5 24.1 114 124 A F E -KL 105 123C 0 9,-2.8 9,-2.0 -2,-0.7 2,-0.7 -0.749 14.9-144.3 -99.3 145.4 49.3 -10.9 23.6 115 125 A K E - 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0 0 1 -5,-2.0 -250,-0.3 -8,-0.2 -1,-0.3 -0.555 20.4-176.9 -78.0 143.8 57.8 -11.9 53.6 267 277 A D + 0 0 0 -20,-3.6 -236,-2.2 1,-0.2 2,-0.3 0.661 62.0 36.2-110.8 -25.8 60.1 -14.8 52.8 268 278 A M E -cj 31 248B 0 -21,-1.6 -19,-2.3 -238,-0.2 2,-0.3 -0.976 56.8-174.6-135.6 148.9 61.1 -14.3 49.2 269 279 A F E -cj 32 249B 0 -238,-1.8 -236,-3.4 -2,-0.3 2,-0.3 -0.975 6.1-177.2-139.8 151.9 61.8 -11.5 46.8 270 280 A D E +c 33 0B 13 -21,-0.6 -18,-1.2 -2,-0.3 2,-0.3 -0.979 19.2 154.6-145.7 135.3 62.6 -11.0 43.1 271 281 A C E -c 34 0B 15 -238,-0.8 -236,-0.6 -2,-0.3 4,-0.3 -0.961 42.4-144.1-164.6 146.6 63.4 -7.7 41.5 272 282 A V S >> S+ 0 0 45 -2,-0.3 4,-3.0 1,-0.2 3,-0.6 0.643 78.4 98.3 -87.3 -15.0 65.2 -6.2 38.5 273 283 A L H 3> S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.870 82.4 46.4 -39.6 -58.2 66.3 -3.1 40.4 274 284 A P H 3> S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.885 119.3 39.7 -58.3 -39.8 69.8 -4.4 41.2 275 285 A T H <> S+ 0 0 5 -3,-0.6 4,-1.6 -4,-0.3 -2,-0.2 0.908 118.5 44.2 -77.2 -43.0 70.5 -5.6 37.6 276 286 A R H X S+ 0 0 125 -4,-3.0 4,-1.6 2,-0.2 -3,-0.2 0.942 116.0 47.5 -67.4 -45.9 68.9 -2.8 35.7 277 287 A S H X>S+ 0 0 8 -4,-2.5 5,-2.4 -5,-0.4 4,-1.5 0.879 106.7 58.2 -62.1 -37.5 70.5 -0.1 37.9 278 288 A G H <5S+ 0 0 0 -4,-1.2 3,-0.4 -5,-0.4 -1,-0.2 0.926 107.8 47.5 -57.3 -42.5 73.8 -1.8 37.6 279 289 A R H <5S+ 0 0 73 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.810 112.9 47.8 -68.4 -31.4 73.5 -1.4 33.9 280 290 A N H <5S- 0 0 89 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.579 122.5-100.2 -87.1 -11.1 72.5 2.3 34.2 281 291 A G T <5S+ 0 0 0 -4,-1.5 11,-2.3 -3,-0.4 2,-0.6 0.444 78.5 131.7 108.6 0.5 75.3 3.2 36.7 282 292 A Q E < -M 291 0D 70 -5,-2.4 2,-0.4 9,-0.2 -1,-0.3 -0.783 35.3-167.5 -92.7 122.2 73.4 3.1 40.0 283 293 A A E -M 290 0D 0 7,-2.9 7,-2.3 -2,-0.6 2,-0.4 -0.866 13.9-136.4-110.6 142.7 75.1 1.1 42.7 284 294 A F E +M 289 0D 4 -2,-0.4 2,-0.3 5,-0.2 59,-0.1 -0.816 31.7 165.6 -98.4 133.7 73.5 0.1 46.0 285 295 A T E > -M 288 0D 0 3,-1.1 3,-1.2 -2,-0.4 20,-0.1 -0.912 53.6 -97.5-141.6 168.3 75.5 0.4 49.2 286 296 A W T 3 S+ 0 0 22 1,-0.3 88,-0.1 -2,-0.3 19,-0.1 0.617 122.8 56.1 -61.7 -11.9 75.1 0.4 53.0 287 297 A D T 3 S- 0 0 14 1,-0.5 89,-0.3 87,-0.1 -1,-0.3 -0.257 124.2 -87.4-115.7 44.0 75.0 4.2 52.7 288 298 A G E < -M 285 0D 0 -3,-1.2 -3,-1.1 86,-0.1 -1,-0.5 -0.191 68.6 -40.9 80.9-177.7 72.1 4.5 50.3 289 299 A P E -M 284 0D 27 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.439 54.0-161.8 -81.3 158.2 72.3 4.4 46.5 290 300 A I E -M 283 0D 14 -7,-2.3 -7,-2.9 -2,-0.1 2,-0.9 -0.992 18.1-136.0-144.4 136.3 75.0 6.2 44.6 291 301 A N E > -M 282 0D 46 -2,-0.3 3,-1.6 -9,-0.2 -9,-0.2 -0.828 14.0-161.1 -91.3 106.5 75.2 7.2 40.9 292 302 A I T 3 S+ 0 0 0 -11,-2.3 -1,-0.2 -2,-0.9 5,-0.2 0.724 85.3 70.5 -62.5 -20.5 78.7 6.3 39.9 293 303 A R T 3 S+ 0 0 105 -12,-0.3 -1,-0.3 32,-0.1 4,-0.1 0.774 75.1 113.1 -67.8 -25.4 78.4 8.6 36.9 294 304 A N S X S- 0 0 73 -3,-1.6 3,-1.6 1,-0.1 4,-0.2 -0.057 79.2-118.9 -49.2 146.8 78.6 11.6 39.3 295 305 A A G > S+ 0 0 75 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.843 105.4 73.7 -56.6 -39.1 81.6 13.8 39.1 296 306 A R G 3 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.496 94.8 54.7 -57.2 -3.9 82.7 13.1 42.6 297 307 A F G X S+ 0 0 2 -3,-1.6 3,-1.1 -5,-0.2 -1,-0.3 0.474 72.5 98.3-110.9 -3.2 83.8 9.6 41.6 298 308 A S T < S+ 0 0 26 -3,-2.2 25,-0.1 1,-0.3 -2,-0.1 0.837 105.2 17.9 -52.9 -35.8 86.2 10.5 38.7 299 309 A E T 3 S+ 0 0 62 -4,-0.3 2,-1.0 -3,-0.1 -1,-0.3 0.071 89.1 128.1-126.2 25.8 89.2 10.1 41.1 300 310 A D < - 0 0 16 -3,-1.1 19,-1.8 1,-0.2 18,-0.7 -0.727 34.5-172.6 -88.2 102.5 87.7 8.1 44.0 301 311 A L + 0 0 94 -2,-1.0 -1,-0.2 17,-0.2 19,-0.1 0.693 53.8 105.2 -65.6 -21.2 90.0 5.1 44.7 302 312 A K S S- 0 0 112 15,-0.2 16,-2.6 1,-0.1 17,-0.3 -0.195 78.4-106.4 -61.4 154.3 87.6 3.7 47.2 303 313 A P - 0 0 40 0, 0.0 14,-0.1 0, 0.0 3,-0.1 -0.228 39.1 -93.4 -73.7 170.6 85.5 0.7 46.2 304 314 A L S S+ 0 0 0 12,-0.3 2,-0.4 1,-0.2 -2,-0.1 0.928 113.2 16.4 -50.8 -47.8 81.7 1.0 45.5 305 315 A D - 0 0 1 3,-0.1 -1,-0.2 1,-0.1 71,-0.0 -0.986 66.8-142.0-132.6 141.5 81.1 0.1 49.1 306 316 A S S S+ 0 0 85 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.795 102.5 34.2 -68.9 -33.0 83.3 0.1 52.2 307 317 A E S S+ 0 0 96 2,-0.0 -1,-0.2 0, 0.0 -22,-0.0 0.882 86.3 119.3 -89.2 -44.9 81.9 -3.1 53.8 308 318 A C - 0 0 3 1,-0.2 -3,-0.1 -5,-0.0 35,-0.1 0.147 47.4-160.1 -30.9 118.7 81.0 -5.1 50.7 309 319 A H + 0 0 149 33,-0.1 -1,-0.2 5,-0.0 5,-0.1 0.519 49.7 129.9 -80.4 -6.6 82.8 -8.5 50.5 310 320 A C > - 0 0 8 1,-0.1 4,-0.7 29,-0.1 29,-0.1 0.000 69.5-118.1 -52.5 152.7 82.1 -8.7 46.7 311 321 A A H >> S+ 0 0 52 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.851 112.8 54.5 -60.7 -40.0 84.8 -9.4 44.1 312 322 A V H >> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.9 0.941 108.5 48.8 -60.8 -47.0 84.4 -6.1 42.4 313 323 A C H 34 S+ 0 0 14 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.559 105.7 58.2 -69.8 -12.3 84.9 -4.2 45.6 314 324 A Q H << S+ 0 0 132 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.702 124.0 16.9 -89.1 -19.3 88.0 -6.2 46.5 315 325 A K H << S+ 0 0 90 -4,-0.9 2,-0.2 -3,-0.9 -2,-0.2 0.822 110.7 54.7-117.8 -55.3 89.7 -5.1 43.2 316 326 A W < - 0 0 6 -4,-2.1 -12,-0.3 -5,-0.2 -1,-0.2 -0.600 65.2-132.2 -94.8 151.6 88.4 -2.1 41.3 317 327 A S > - 0 0 15 142,-0.4 4,-2.2 -2,-0.2 3,-0.3 -0.453 26.4-110.4 -95.1 168.4 87.8 1.5 42.4 318 328 A R H > S+ 0 0 4 -16,-2.6 4,-2.6 -18,-0.7 -17,-0.2 0.874 119.4 60.2 -62.9 -35.1 84.9 3.8 41.9 319 329 A A H > S+ 0 0 1 -19,-1.8 4,-2.2 -17,-0.3 -1,-0.2 0.868 105.9 45.0 -61.3 -39.0 87.1 5.7 39.6 320 330 A Y H > S+ 0 0 0 -3,-0.3 4,-2.6 -20,-0.2 -2,-0.2 0.947 116.1 45.3 -69.8 -48.3 87.6 2.8 37.3 321 331 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.804 110.5 56.2 -63.2 -32.1 83.9 1.9 37.3 322 332 A H H X S+ 0 0 12 -4,-2.6 4,-2.3 -25,-0.3 5,-0.2 0.978 109.0 45.5 -62.5 -57.8 83.1 5.6 36.8 323 333 A H H X S+ 0 0 5 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.948 111.9 54.1 -49.0 -55.6 85.2 5.7 33.7 324 334 A L H X>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 4,-1.5 0.915 110.2 42.4 -46.1 -61.9 83.6 2.4 32.4 325 335 A I H <5S+ 0 0 28 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.919 116.2 50.3 -56.1 -44.6 79.9 3.4 32.7 326 336 A R H <5S+ 0 0 141 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.889 110.2 49.8 -61.6 -39.9 80.7 6.8 31.2 327 337 A A H <5S- 0 0 20 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.703 113.2-116.4 -73.2 -20.4 82.6 5.3 28.3 328 338 A G T <5 + 0 0 61 -4,-1.5 -3,-0.2 -3,-0.5 2,-0.2 0.507 56.8 163.3 95.2 6.4 79.8 2.8 27.5 329 339 A E >>< - 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