==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 29-JUN-11 3SNN . COMPND 2 MOLECULE: 5'-D(*TP*CP*AP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*C . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.WANG,J.WANG,W.H.KONIGSBERG . 903 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 0.1 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 . 73 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 1 2 0 3 2 3 1 0 2 1 5 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 3 RESIDUES PER ALPHA HELIX . 0 2 1 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 0 0 PARALLEL BRIDGES PER LADDER . 3 6 2 2 4 2 4 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 . 3 3 0 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 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 1 A M 0 0 108 0, 0.0 2,-0.4 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 133.3 36.7 41.9 29.3 2 2 A K - 0 0 128 100,-0.1 18,-0.0 1,-0.1 2,-0.0 -0.695 360.0-113.8 -78.3 135.1 35.2 45.4 28.5 3 3 A E - 0 0 65 -2,-0.4 2,-0.3 100,-0.1 99,-0.3 -0.321 34.4-175.8 -70.6 151.9 34.1 47.0 31.8 4 4 A F E -A 20 0A 0 16,-1.6 16,-3.3 97,-0.1 2,-0.1 -0.988 23.5-115.4-147.4 147.4 30.5 47.9 32.6 5 5 A Y E -A 19 0A 0 -2,-0.3 14,-0.3 14,-0.3 3,-0.1 -0.356 15.9-171.2 -73.7 156.1 28.7 49.6 35.5 6 6 A L E S- 0 0 0 12,-3.3 349,-0.4 1,-0.5 2,-0.3 0.714 73.4 -7.9-107.7 -55.5 26.4 47.9 37.9 7 7 A T E -A 18 0A 2 11,-1.5 11,-2.2 347,-0.1 -1,-0.5 -0.960 59.8-164.3-138.9 157.4 25.0 50.9 39.7 8 8 A V E +A 17 0A 1 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.994 11.5 173.3-141.9 141.3 25.8 54.7 39.8 9 9 A E E -A 16 0A 10 7,-1.9 7,-2.5 -2,-0.3 2,-0.5 -0.989 27.2-135.3-143.0 152.2 24.7 57.3 42.3 10 10 A Q E +A 15 0A 58 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.967 24.1 174.1-104.0 123.2 25.4 61.0 43.1 11 11 A I E > -A 14 0A 33 3,-2.7 3,-1.7 -2,-0.5 2,-0.2 -0.910 64.5 -57.9-127.2 102.7 26.0 61.6 46.8 12 12 A G T 3 S- 0 0 54 -2,-0.4 53,-0.0 1,-0.2 -1,-0.0 -0.449 120.4 -15.1 59.8-127.2 27.0 65.3 47.4 13 13 A D T 3 S+ 0 0 63 -2,-0.2 2,-0.4 52,-0.1 -1,-0.2 0.249 123.3 85.0 -92.2 13.0 30.1 66.0 45.3 14 14 A S E < -A 11 0A 12 -3,-1.7 -3,-2.7 18,-0.2 2,-0.5 -0.898 65.0-144.5-117.2 143.8 30.9 62.3 44.8 15 15 A I E -AB 10 31A 0 16,-3.0 16,-2.9 -2,-0.4 2,-0.6 -0.925 17.1-156.8 -93.9 128.0 29.8 59.7 42.2 16 16 A F E -AB 9 30A 37 -7,-2.5 -7,-1.9 -2,-0.5 2,-0.4 -0.956 17.6-178.2-104.4 118.5 29.5 56.3 43.8 17 17 A E E -AB 8 29A 0 12,-2.6 12,-2.3 -2,-0.6 2,-0.4 -0.970 21.2-163.6-123.1 129.3 29.8 53.6 41.2 18 18 A R E +AB 7 28A 6 -11,-2.2 -12,-3.3 -2,-0.4 -11,-1.5 -0.895 33.2 158.7 -99.2 140.3 29.6 49.8 41.5 19 19 A Y E -AB 5 27A 18 8,-2.5 8,-3.0 -2,-0.4 2,-0.5 -0.981 46.5-110.8-157.8 161.0 31.0 48.2 38.4 20 20 A I E -AB 4 26A 2 -16,-3.3 -16,-1.6 -2,-0.3 6,-0.2 -0.920 42.2-144.0 -99.1 122.6 32.5 45.0 36.8 21 21 A D > - 0 0 1 4,-2.7 3,-2.5 -2,-0.5 4,-0.0 -0.158 32.9 -84.6 -83.8 178.8 36.2 45.6 36.0 22 22 A S T 3 S+ 0 0 53 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.625 128.8 52.3 -60.9 -14.5 38.3 44.4 33.1 23 23 A N T 3 S- 0 0 115 2,-0.2 -1,-0.3 0, 0.0 -21,-0.1 0.375 121.4-103.5-101.7 1.7 38.9 41.1 34.9 24 24 A G S < S+ 0 0 12 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.640 76.8 135.9 87.5 17.0 35.3 40.4 35.6 25 25 A R - 0 0 166 -4,-0.0 -4,-2.7 1,-0.0 2,-0.4 -0.781 57.0-118.8-103.2 142.4 35.4 41.4 39.3 26 26 A E E +B 20 0A 71 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.628 43.2 166.3 -77.5 128.4 32.8 43.5 41.1 27 27 A R E -B 19 0A 127 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.4 -0.895 25.4-143.7-137.1 164.9 34.3 46.7 42.5 28 28 A T E +B 18 0A 90 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.981 18.4 179.2-130.8 145.4 33.2 50.0 44.0 29 29 A R E -B 17 0A 65 -12,-2.3 -12,-2.6 -2,-0.4 2,-0.5 -0.998 24.1-141.8-146.0 150.1 34.7 53.4 43.7 30 30 A E E -B 16 0A 118 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.962 24.4-171.1-109.0 122.1 34.1 57.0 44.8 31 31 A V E -B 15 0A 48 -16,-2.9 -16,-3.0 -2,-0.5 2,-2.2 -0.966 25.7-142.8-120.8 125.8 34.9 59.6 42.1 32 32 A E - 0 0 164 -2,-0.5 -18,-0.2 -18,-0.2 -16,-0.0 -0.460 36.8-161.4 -80.7 65.9 35.0 63.4 42.7 33 33 A Y - 0 0 24 -2,-2.2 32,-0.3 1,-0.1 59,-0.1 -0.262 12.2-149.1 -58.9 126.0 33.4 63.9 39.2 34 34 A K - 0 0 110 30,-0.1 29,-0.1 31,-0.1 2,-0.1 -0.875 20.4-152.4 -97.0 109.0 33.8 67.4 37.7 35 35 A P - 0 0 0 0, 0.0 27,-2.6 0, 0.0 2,-0.4 -0.424 2.2-143.8 -83.1 157.5 30.8 68.0 35.5 36 36 A S E +C 61 0B 25 25,-0.2 2,-0.2 49,-0.1 49,-0.2 -0.954 18.2 174.9-116.7 141.4 30.6 70.3 32.5 37 37 A L E -C 60 0B 2 23,-2.0 23,-3.2 -2,-0.4 2,-0.3 -0.769 20.9-126.3-129.7 179.9 27.7 72.5 31.4 38 38 A F E -CD 59 83B 28 45,-2.5 45,-2.5 -2,-0.2 2,-0.3 -0.953 15.0-168.6-138.7 147.4 27.4 75.0 28.6 39 39 A A E -C 58 0B 12 19,-2.0 19,-2.9 -2,-0.3 43,-0.1 -0.968 37.7-100.5-129.3 147.7 26.5 78.6 27.8 40 40 A H E -C 57 0B 82 41,-0.4 17,-0.3 -2,-0.3 10,-0.0 -0.352 44.5-169.9 -60.3 146.1 25.9 80.3 24.5 41 41 A C - 0 0 17 15,-1.8 6,-0.0 4,-0.1 -1,-0.0 -0.937 27.1 -87.8-137.8 160.9 28.9 82.3 23.3 42 42 A P > - 0 0 79 0, 0.0 3,-1.8 0, 0.0 15,-0.0 -0.301 35.4-116.5 -68.3 156.7 29.6 84.8 20.6 43 43 A E T 3 S+ 0 0 186 1,-0.3 4,-0.1 3,-0.0 14,-0.1 0.800 112.8 74.0 -58.4 -28.6 30.8 83.6 17.1 44 44 A S T 3 S+ 0 0 120 2,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.720 82.0 81.0 -55.1 -27.1 34.0 85.5 17.9 45 45 A Q S < S- 0 0 100 -3,-1.8 2,-0.3 11,-0.0 -4,-0.1 -0.785 84.0-132.2 -91.9 116.8 34.9 82.8 20.4 46 46 A A + 0 0 104 -2,-0.6 2,-0.3 10,-0.0 -2,-0.1 -0.520 41.6 156.6 -69.6 124.1 36.4 79.7 18.8 47 47 A T - 0 0 40 -2,-0.3 11,-0.1 -4,-0.1 -6,-0.0 -0.964 47.6-149.3-145.8 159.3 34.8 76.5 20.0 48 48 A K S S+ 0 0 123 -2,-0.3 2,-0.5 9,-0.1 10,-0.1 0.404 78.2 90.2-104.3 -3.6 34.1 72.9 19.1 49 49 A Y E +E 57 0B 44 8,-0.5 8,-2.5 329,-0.1 2,-0.3 -0.840 50.9 171.7-101.2 127.6 30.8 72.8 21.0 50 50 A F E -Ef 56 378B 82 327,-1.3 329,-2.2 -2,-0.5 -10,-0.0 -0.977 29.6-121.8-131.8 142.8 27.6 73.7 19.2 51 51 A D E > - f 0 379B 9 4,-3.0 3,-2.2 -2,-0.3 329,-0.2 -0.212 45.7 -90.0 -73.4 175.6 23.9 73.4 20.3 52 52 A I T 3 S+ 0 0 9 327,-0.9 -1,-0.1 1,-0.3 328,-0.1 0.713 129.2 54.7 -66.0 -18.5 21.5 71.3 18.2 53 53 A Y T 3 S- 0 0 145 2,-0.1 -1,-0.3 376,-0.0 -2,-0.0 0.410 122.6-105.0 -92.1 -0.5 20.6 74.4 16.2 54 54 A G S < S+ 0 0 48 -3,-2.2 -2,-0.1 1,-0.3 -5,-0.0 0.632 72.7 142.7 86.5 15.9 24.3 75.0 15.3 55 55 A K - 0 0 129 1,-0.1 -4,-3.0 -15,-0.0 -1,-0.3 -0.748 55.0-106.3 -90.0 136.5 24.8 78.0 17.7 56 56 A P E - E 0 50B 24 0, 0.0 -15,-1.8 0, 0.0 2,-0.3 -0.264 36.1-168.0 -67.4 147.1 28.2 78.1 19.4 57 57 A C E -CE 40 49B 0 -8,-2.5 -8,-0.5 -17,-0.3 2,-0.4 -0.985 16.9-137.3-134.1 142.9 28.7 77.3 23.1 58 58 A T E -C 39 0B 31 -19,-2.9 -19,-2.0 -2,-0.3 2,-0.5 -0.817 25.1-128.8 -94.0 141.7 31.4 77.6 25.7 59 59 A R E -C 38 0B 113 -2,-0.4 2,-0.6 -21,-0.2 -21,-0.2 -0.783 16.2-158.1 -91.2 129.7 32.1 74.7 28.0 60 60 A K E -C 37 0B 84 -23,-3.2 -23,-2.0 -2,-0.5 2,-0.6 -0.947 3.7-157.6-109.8 118.1 32.2 75.5 31.7 61 61 A L E -C 36 0B 83 -2,-0.6 -25,-0.2 -25,-0.2 2,-0.2 -0.852 14.7-148.2 -98.0 118.1 34.0 72.9 33.8 62 62 A F - 0 0 22 -27,-2.6 3,-0.1 -2,-0.6 4,-0.0 -0.578 18.3-132.2 -92.5 148.6 32.9 73.0 37.5 63 63 A A S S- 0 0 66 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.791 90.1 -8.8 -64.5 -29.1 35.1 72.2 40.6 64 64 A N S > S- 0 0 39 -29,-0.1 4,-1.5 1,-0.1 -1,-0.1 -0.964 74.5 -97.9-160.0 171.7 32.2 70.0 41.8 65 65 A M H > S+ 0 0 0 -32,-0.3 4,-2.3 -2,-0.3 5,-0.2 0.857 117.6 56.4 -69.1 -36.5 28.6 68.9 41.2 66 66 A R H > S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 106.4 51.6 -59.0 -42.8 27.1 71.3 43.8 67 67 A D H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 109.5 50.0 -60.0 -43.4 28.8 74.3 42.0 68 68 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.912 111.4 47.8 -61.2 -45.4 27.3 73.1 38.7 69 69 A S H X S+ 0 0 53 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.887 111.4 50.7 -63.6 -40.5 23.8 72.8 40.2 70 70 A Q H X S+ 0 0 70 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.871 106.8 54.7 -64.4 -38.8 24.2 76.3 41.8 71 71 A W H X S+ 0 0 22 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.899 104.3 54.4 -61.0 -42.7 25.2 77.8 38.5 72 72 A I H X S+ 0 0 33 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.897 109.3 48.8 -55.4 -43.3 22.1 76.4 36.8 73 73 A K H X S+ 0 0 118 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.915 110.9 48.2 -65.6 -45.4 20.0 78.2 39.5 74 74 A R H X S+ 0 0 124 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.833 107.9 56.2 -64.3 -34.0 21.9 81.5 39.0 75 75 A M H X>S+ 0 0 17 -4,-2.3 5,-2.7 2,-0.2 4,-2.2 0.886 108.2 47.0 -66.0 -39.9 21.4 81.2 35.2 76 76 A E H <5S+ 0 0 141 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.897 109.4 55.1 -62.4 -42.6 17.6 80.9 35.8 77 77 A D H <5S+ 0 0 117 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.806 113.4 41.6 -57.8 -32.5 17.9 83.9 38.2 78 78 A I H <5S- 0 0 119 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.806 115.7-115.1 -85.4 -33.6 19.5 85.8 35.3 79 79 A G T <5 + 0 0 62 -4,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.761 69.6 127.5 101.5 36.9 17.2 84.6 32.6 80 80 A L < - 0 0 100 -5,-2.7 -1,-0.3 -6,-0.1 2,-0.2 -0.963 63.4-103.0-130.9 142.8 19.6 82.6 30.5 81 81 A E - 0 0 66 -2,-0.4 2,-0.7 1,-0.1 -41,-0.4 -0.404 24.4-155.9 -65.4 128.0 19.6 79.0 29.1 82 82 A A - 0 0 7 -2,-0.2 -43,-0.2 -43,-0.1 2,-0.1 -0.927 22.5-159.2-104.7 105.3 22.0 76.7 31.0 83 83 A L B +D 38 0B 1 -45,-2.5 -45,-2.5 -2,-0.7 2,-0.1 -0.420 37.7 52.2 -91.2 159.8 22.8 73.9 28.5 84 84 A G S S- 0 0 6 296,-2.2 2,-0.8 -47,-0.2 -47,-0.1 -0.363 93.9 -36.5 110.0 173.4 24.0 70.3 29.0 85 85 A M - 0 0 6 -49,-0.2 6,-0.1 1,-0.2 -49,-0.1 -0.599 47.1-175.5 -75.7 107.8 23.2 67.2 30.9 86 86 A D + 0 0 83 -2,-0.8 2,-1.0 1,-0.1 -1,-0.2 0.653 69.8 79.7 -81.5 -18.9 22.0 68.4 34.3 87 87 A D S >> S- 0 0 26 1,-0.2 4,-1.2 2,-0.0 3,-1.1 -0.808 73.0-164.4 -86.5 100.3 21.7 64.8 35.7 88 88 A F H 3> S+ 0 0 2 -2,-1.0 4,-2.6 1,-0.3 -1,-0.2 0.776 78.3 59.7 -68.8 -30.7 25.4 64.4 36.4 89 89 A K H 3> S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.790 102.8 54.9 -68.1 -25.7 25.6 60.6 36.8 90 90 A L H <> S+ 0 0 3 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.884 109.6 46.6 -70.7 -39.0 24.3 60.3 33.2 91 91 A A H X S+ 0 0 10 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.905 111.0 53.7 -63.6 -42.7 27.2 62.5 32.1 92 92 A Y H X S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.922 109.6 46.5 -56.2 -49.9 29.5 60.4 34.3 93 93 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.891 111.2 52.8 -60.5 -40.2 28.3 57.2 32.6 94 94 A S H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 114.4 41.5 -62.8 -40.9 28.7 58.8 29.2 95 95 A D H < S+ 0 0 88 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.841 120.2 43.1 -71.7 -37.8 32.3 59.8 30.0 96 96 A T H < S+ 0 0 45 -4,-2.4 2,-0.2 1,-0.2 -2,-0.2 0.771 122.7 35.9 -84.7 -28.8 33.2 56.5 31.7 97 97 A Y < + 0 0 1 -4,-2.6 2,-1.8 -5,-0.2 -1,-0.2 -0.570 66.8 163.1-125.5 66.1 31.6 54.2 29.2 98 98 A N + 0 0 84 -3,-0.5 2,-0.3 -2,-0.2 -4,-0.1 -0.370 57.7 62.2 -84.7 57.5 32.2 55.9 25.9 99 99 A Y S S- 0 0 62 -2,-1.8 2,-0.7 -5,-0.0 -3,-0.0 -0.954 102.8 -71.1-163.9 168.5 31.4 52.8 23.8 100 100 A E - 0 0 147 -2,-0.3 2,-0.1 1,-0.1 250,-0.1 -0.637 60.5-124.3 -71.3 112.0 28.5 50.4 23.2 101 101 A I - 0 0 12 -2,-0.7 2,-0.6 248,-0.4 -97,-0.1 -0.365 22.8-165.5 -66.6 129.8 28.3 48.5 26.5 102 102 A K - 0 0 140 -99,-0.3 2,-0.3 -2,-0.1 -100,-0.1 -0.980 16.8-166.5-111.4 115.0 28.6 44.7 26.3 103 103 A Y - 0 0 48 -2,-0.6 2,-0.7 243,-0.0 3,-0.1 -0.795 19.2-144.3-108.1 148.0 27.4 43.3 29.7 104 104 A D > - 0 0 54 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.922 7.3-162.8-109.8 104.8 27.8 39.8 31.1 105 105 A H G > S+ 0 0 116 -2,-0.7 3,-1.2 1,-0.3 -1,-0.1 0.741 84.9 70.6 -60.4 -24.7 24.6 39.0 33.1 106 106 A T G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.732 98.4 50.1 -64.6 -21.9 26.5 36.1 34.9 107 107 A K G < S+ 0 0 64 -3,-1.8 2,-0.6 2,-0.1 -1,-0.3 0.512 91.5 93.0 -92.9 -8.5 28.5 38.8 36.8 108 108 A I S < S- 0 0 0 -3,-1.2 2,-0.9 -4,-0.3 33,-0.0 -0.790 75.3-134.6 -93.3 121.7 25.4 40.8 37.8 109 109 A R - 0 0 36 -2,-0.6 102,-2.7 100,-0.2 103,-1.7 -0.646 23.7-172.4 -79.6 106.9 24.0 39.8 41.2 110 110 A V E -g 212 0C 25 -2,-0.9 31,-1.9 101,-0.2 2,-0.5 -0.906 4.8-163.5-103.5 116.9 20.3 39.5 40.9 111 111 A A E -gH 213 140C 0 101,-3.0 103,-3.1 -2,-0.6 2,-0.5 -0.899 9.6-172.4-107.9 127.0 18.5 39.0 44.2 112 112 A N E +gH 214 139C 2 27,-2.0 27,-3.5 -2,-0.5 2,-0.3 -0.978 20.5 168.0-113.5 120.6 14.9 37.8 44.5 113 113 A F E - H 0 138C 3 101,-1.8 103,-0.5 -2,-0.5 2,-0.3 -0.939 21.5-175.1-138.1 159.7 13.4 37.9 48.0 114 114 A D E - H 0 137C 30 23,-2.0 23,-2.2 -2,-0.3 2,-0.3 -0.983 12.6-155.2-148.0 141.9 10.2 37.6 49.9 115 115 A I E - H 0 136C 6 -2,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.824 5.8-144.5-117.6 159.2 9.4 38.1 53.6 116 116 A E E - H 0 135C 32 19,-2.3 18,-2.0 -2,-0.3 19,-1.1 -0.977 14.5-178.5-119.8 141.0 6.8 36.8 56.0 117 117 A V E - H 0 133C 18 -2,-0.4 2,-0.4 16,-0.2 16,-0.2 -0.935 18.9-144.0-140.3 111.6 5.3 38.8 58.9 118 118 A T + 0 0 9 14,-0.5 192,-0.1 -2,-0.4 38,-0.1 -0.637 24.6 178.0 -75.0 127.1 2.7 37.4 61.3 119 119 A S > - 0 0 7 -2,-0.4 3,-0.6 1,-0.1 191,-0.1 -0.949 22.5-173.1-136.8 116.7 0.2 40.0 62.3 120 120 A P T 3 S+ 0 0 52 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.576 84.6 53.6 -80.7 -10.0 -2.9 39.4 64.6 121 121 A D T 3 S- 0 0 65 1,-0.4 2,-0.2 699,-0.1 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0, 0.0 -16,-0.1 0.446 106.4 77.4 -67.7 1.3 -0.2 68.2 7.0 459 459 A N T 3 S- 0 0 39 126,-0.2 -23,-0.2 2,-0.1 126,-0.1 0.516 121.4 -97.2 -81.8 -6.5 -0.2 70.0 10.4 460 460 A G S < S+ 0 0 5 -3,-1.9 -26,-2.2 1,-0.3 2,-0.3 0.417 80.4 133.6 109.5 1.5 1.8 72.7 8.7 461 461 A M E -V 433 0H 7 -4,-0.4 -4,-1.8 -28,-0.2 2,-0.4 -0.611 36.3-160.0 -92.4 144.1 5.3 71.8 9.7 462 462 A M E -VW 432 456H 24 -30,-2.3 -31,-3.3 -2,-0.3 -30,-1.2 -0.957 7.3-164.7-121.8 142.0 8.4 71.6 7.4 463 463 A Y E -VW 430 455H 0 -8,-2.7 -8,-2.7 -2,-0.4 -33,-0.2 -0.937 26.2-100.5-129.5 148.0 11.6 69.7 8.0 464 464 A Y - 0 0 75 -35,-2.5 5,-0.1 -2,-0.3 213,-0.1 -0.261 22.3-166.3 -59.9 148.9 15.1 69.7 6.5 465 465 A K + 0 0 70 -12,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.393 69.7 84.8-114.6 -2.4 16.0 67.0 4.0 466 466 A D S S+ 0 0 117 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.749 102.8 3.9 -77.6 -25.1 19.8 67.4 3.9 467 467 A R S S- 0 0 119 -43,-0.1 -1,-0.2 -38,-0.1 2,-0.2 -0.984 80.4 -94.7-158.8 152.9 20.4 65.2 6.9 468 468 A D - 0 0 71 -2,-0.3 -3,-0.1 -3,-0.1 -47,-0.1 -0.431 38.8-123.1 -68.3 134.7 18.7 63.0 9.5 469 469 A G > - 0 0 0 -2,-0.2 4,-2.2 -5,-0.1 5,-0.1 -0.278 25.9-109.9 -65.8 162.1 17.6 64.4 12.8 470 470 A V H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.853 118.8 54.4 -64.4 -34.3 18.9 62.8 16.0 471 471 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.963 110.1 44.0 -66.9 -52.4 15.4 61.6 16.7 472 472 A P H > S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.912 115.0 51.8 -54.6 -40.8 15.0 59.8 13.4 473 473 A T H X S+ 0 0 46 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.929 115.9 37.5 -62.0 -48.2 18.6 58.4 13.8 474 474 A E H X S+ 0 0 9 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.851 113.8 54.2 -77.8 -35.6 18.1 56.9 17.2 475 475 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.857 105.2 57.3 -64.3 -33.1 14.5 55.7 16.7 476 476 A T H X S+ 0 0 31 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.893 102.4 54.0 -63.3 -42.8 15.8 53.8 13.6 477 477 A K H X S+ 0 0 93 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.927 113.3 40.7 -59.4 -48.4 18.4 51.9 15.7 478 478 A V H X S+ 0 0 1 -4,-1.5 4,-2.5 1,-0.2 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-1,-0.2 0.891 112.2 52.8 -63.1 -40.8 12.3 35.4 15.7 489 489 A M H X S+ 0 0 11 -4,-2.2 4,-1.9 63,-0.2 -2,-0.2 0.919 111.0 45.0 -61.5 -47.1 8.8 35.6 17.3 490 490 A L H X S+ 0 0 20 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.856 111.4 52.8 -68.9 -37.3 7.0 35.0 14.1 491 491 A A H X S+ 0 0 2 -4,-1.9 4,-2.9 28,-0.2 31,-0.2 0.931 109.8 48.6 -61.4 -46.2 9.3 32.1 13.1 492 492 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.875 111.7 51.1 -60.1 -39.5 8.7 30.4 16.5 493 493 A Q H X S+ 0 0 28 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.934 111.3 45.9 -62.2 -50.2 5.0 30.9 15.9 494 494 A R H X S+ 0 0 68 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.915 112.2 52.5 -59.6 -43.7 5.1 29.4 12.4 495 495 A N H X S+ 0 0 0 -4,-2.9 4,-1.8 23,-0.2 -1,-0.2 0.851 104.6 56.5 -60.4 -38.2 7.2 26.5 13.9 496 496 A G H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.873 104.1 52.6 -59.3 -40.3 4.6 25.9 16.6 497 497 A E H X S+ 0 0 16 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.866 105.7 53.9 -67.8 -36.0 1.9 25.4 13.9 498 498 A I H X S+ 0 0 48 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.906 110.5 47.2 -60.1 -44.2 4.0 22.8 12.2 499 499 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.912 109.2 53.5 -63.7 -43.9 4.3 20.9 15.5 500 500 A K H < S+ 0 0 74 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.870 107.5 51.9 -58.8 -39.6 0.5 21.2 16.1 501 501 A E H >< S+ 0 0 98 -4,-2.0 3,-1.4 1,-0.2 4,-0.5 0.929 109.1 49.4 -61.2 -47.0 -0.1 19.7 12.7 502 502 A A H >< S+ 0 0 14 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.818 98.2 69.0 -62.6 -33.3 2.2 16.7 13.5 503 503 A L T 3< S+ 0 0 40 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.649 87.6 66.8 -62.8 -16.8 0.4 16.2 16.9 504 504 A H T < S+ 0 0 100 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.856 114.4 28.1 -68.9 -35.8 -2.7 15.1 14.9 505 505 A N S < S+ 0 0 136 -3,-1.3 -1,-0.2 -4,-0.5 2,-0.1 -0.573 83.8 179.3-124.8 69.1 -0.7 12.0 13.8 506 506 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.454 30.3-116.8 -75.5 143.1 1.9 11.2 16.5 507 507 A N - 0 0 67 26,-2.0 2,-1.4 -2,-0.1 28,-0.4 -0.588 20.8-125.9 -75.9 132.9 4.2 8.2 16.0 508 508 A L S S+ 0 0 160 -2,-0.3 2,-0.3 26,-0.1 -1,-0.1 -0.684 71.4 100.1 -80.9 93.6 3.7 5.5 18.6 509 509 A S S S- 0 0 54 -2,-1.4 2,-0.5 2,-0.0 26,-0.1 -0.935 73.6-102.8-161.5 173.6 7.4 5.2 19.8 510 510 A V + 0 0 151 -2,-0.3 2,-0.2 24,-0.1 -2,-0.0 -0.976 58.8 124.1-117.2 121.9 9.9 6.3 22.4 511 511 A D - 0 0 43 -2,-0.5 22,-0.0 0, 0.0 -2,-0.0 -0.866 50.1 -95.6-158.4-174.8 12.2 9.2 21.5 512 512 A E - 0 0 149 -2,-0.2 2,-0.1 25,-0.0 25,-0.1 -0.819 38.8 -97.9-117.2 155.3 13.5 12.6 22.4 513 513 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 25,-0.1 -0.442 50.9-101.6 -63.8 147.6 12.6 16.2 21.3 514 514 A L - 0 0 33 23,-0.1 2,-1.1 -2,-0.1 12,-0.0 -0.480 25.1-120.2 -72.6 141.5 14.9 17.5 18.5 515 515 A D + 0 0 168 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.729 58.2 147.5 -80.7 100.4 17.7 20.0 19.4 516 516 A V - 0 0 25 -2,-1.1 2,-0.8 6,-0.0 6,-0.0 -0.951 55.4-118.1-138.2 153.9 16.6 23.0 17.3 517 517 A D > - 0 0 71 -2,-0.3 3,-1.4 1,-0.1 -2,-0.0 -0.844 23.6-164.6 -91.4 107.3 16.7 26.8 17.3 518 518 A Y T 3 S+ 0 0 12 -2,-0.8 -23,-0.2 1,-0.3 -1,-0.1 0.538 77.4 79.4 -72.1 -7.4 13.0 27.8 17.2 519 519 A R T 3 S+ 0 0 103 -28,-0.1 2,-0.4 -27,-0.1 -1,-0.3 0.545 92.3 59.0 -75.9 -7.8 13.8 31.4 16.2 520 520 A F S < S- 0 0 104 -3,-1.4 3,-0.1 -29,-0.1 -32,-0.0 -0.961 99.6 -95.1-126.9 142.3 14.3 30.2 12.6 521 521 A D - 0 0 88 -2,-0.4 -29,-0.1 1,-0.1 -2,-0.1 -0.281 52.3-101.7 -55.6 129.8 11.9 28.4 10.2 522 522 A F - 0 0 10 -31,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.246 35.4-126.8 -55.0 136.9 12.3 24.6 10.4 523 523 A S > - 0 0 54 -3,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.243 27.5-102.2 -71.6 170.2 14.3 23.1 7.5 524 524 A D H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.867 123.3 55.8 -62.3 -38.2 12.9 20.3 5.4 525 525 A E H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 110.1 44.3 -59.5 -48.0 15.2 17.8 7.3 526 526 A I H > S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.925 111.2 54.3 -62.4 -45.9 13.7 19.0 10.7 527 527 A K H X S+ 0 0 75 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.867 109.4 48.0 -55.8 -40.9 10.2 18.8 9.2 528 528 A E H < S+ 0 0 110 -4,-2.2 3,-0.4 2,-0.2 4,-0.3 0.936 112.4 47.8 -65.7 -47.8 10.7 15.2 8.1 529 529 A K H >< S+ 0 0 96 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.876 106.3 59.6 -59.5 -40.4 12.1 14.2 11.5 530 530 A I H >< S+ 0 0 1 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.858 97.6 58.7 -56.3 -39.5 9.2 15.9 13.3 531 531 A K T 3< S+ 0 0 148 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.559 104.9 52.1 -70.7 -7.9 6.6 13.7 11.5 532 532 A K T < S+ 0 0 139 -3,-1.6 -1,-0.3 -4,-0.3 2,-0.2 0.253 89.9 106.9-110.1 9.1 8.3 10.7 13.0 533 533 A L < - 0 0 12 -3,-1.6 -26,-2.0 1,-0.1 -23,-0.0 -0.589 69.5-111.6 -93.5 152.8 8.2 11.9 16.7 534 534 A S > - 0 0 10 -2,-0.2 4,-2.4 -28,-0.2 5,-0.1 -0.227 30.5-109.0 -68.8 164.9 6.0 10.7 19.6 535 535 A A H > S+ 0 0 38 -28,-0.4 4,-2.6 2,-0.2 5,-0.2 0.847 119.3 55.6 -64.5 -37.5 3.3 12.9 21.2 536 536 A K H > S+ 0 0 173 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.929 112.2 41.6 -60.7 -47.5 5.5 13.3 24.3 537 537 A S H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.887 114.9 51.5 -68.7 -40.0 8.4 14.6 22.3 538 538 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.900 109.2 49.5 -63.2 -44.2 6.2 16.8 20.1 539 539 A N H X S+ 0 0 86 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.837 110.3 50.8 -64.1 -35.3 4.4 18.4 23.1 540 540 A E H X S+ 0 0 72 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.920 111.7 47.8 -67.3 -43.2 7.8 19.2 24.6 541 541 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.878 110.3 52.7 -61.7 -39.4 8.9 20.8 21.3 542 542 A L H X S+ 0 0 20 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.912 108.8 49.6 -61.6 -44.0 5.6 22.7 21.2 543 543 A F H X S+ 0 0 94 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.937 113.5 46.0 -59.2 -48.5 6.3 24.0 24.8 544 544 A R H X S+ 0 0 101 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.887 111.5 51.4 -62.7 -41.7 9.8 25.1 23.8 545 545 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.912 112.1 47.4 -60.7 -43.7 8.5 26.7 20.5 546 546 A Q H X S+ 0 0 84 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.824 109.8 52.0 -68.5 -35.3 5.9 28.6 22.5 547 547 A R H X S+ 0 0 69 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.877 110.0 50.3 -65.1 -38.6 8.5 29.7 25.1 548 548 A T H X S+ 0 0 32 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.914 109.3 50.8 -63.2 -44.4 10.7 31.0 22.2 549 549 A E H X S+ 0 0 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