==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 20-FEB-02 1L2B . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.C.FROMME,G.L.VERDINE . 264 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 19.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 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 . 16 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 1 0 2 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 0 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 2 A P 0 0 60 0, 0.0 2,-0.2 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0 127.9 -17.3 52.0 21.0 2 3 A E >> - 0 0 14 170,-0.1 4,-2.9 56,-0.0 3,-0.5 -0.478 360.0 -59.6-121.4-167.7 -15.0 49.2 19.8 3 4 A L H 3> S+ 0 0 1 167,-2.0 4,-2.6 1,-0.2 5,-0.2 0.879 133.4 49.1 -47.8 -48.3 -14.9 47.1 16.6 4 5 A P H 3> S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.889 115.9 42.5 -61.3 -39.1 -18.4 45.7 16.9 5 6 A E H <> S+ 0 0 30 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.927 117.6 45.1 -71.4 -46.0 -20.0 49.1 17.7 6 7 A V H X S+ 0 0 1 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.832 113.4 50.9 -67.3 -33.2 -18.0 51.0 15.0 7 8 A E H X S+ 0 0 41 -4,-2.6 4,-1.5 -5,-0.4 -1,-0.2 0.807 109.2 50.7 -74.3 -31.3 -18.6 48.2 12.4 8 9 A T H X S+ 0 0 46 -4,-1.3 4,-2.0 -5,-0.2 -2,-0.2 0.914 108.6 51.6 -71.2 -43.8 -22.4 48.4 13.1 9 10 A I H X S+ 0 0 42 -4,-2.2 4,-1.5 1,-0.2 5,-0.2 0.897 107.6 55.2 -58.0 -40.3 -22.4 52.1 12.7 10 11 A R H X S+ 0 0 57 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.899 109.2 44.1 -61.1 -44.6 -20.6 51.6 9.4 11 12 A R H < S+ 0 0 60 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.828 116.3 47.9 -71.5 -31.1 -23.3 49.2 7.9 12 13 A T H < S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.657 115.0 43.2 -84.4 -16.8 -26.1 51.4 9.2 13 14 A L H >X S+ 0 0 9 -4,-1.5 3,-1.8 -3,-0.2 4,-0.5 0.807 92.3 76.9-100.1 -32.8 -24.8 54.7 7.9 14 15 A L H >X S+ 0 0 49 -4,-1.6 4,-2.2 1,-0.3 3,-1.6 0.876 94.7 48.4 -47.0 -53.7 -23.5 54.0 4.4 15 16 A P H 34 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.620 105.9 60.5 -67.5 -10.0 -26.9 53.8 2.6 16 17 A L H <4 S+ 0 0 85 -3,-1.8 -2,-0.2 1,-0.1 -3,-0.1 0.523 120.1 22.1 -93.0 -6.2 -28.0 57.1 4.2 17 18 A I H X< S+ 0 0 1 -3,-1.6 3,-2.2 -4,-0.5 34,-0.3 0.541 84.1 122.3-133.5 -14.2 -25.2 59.1 2.6 18 19 A V T 3< S+ 0 0 73 -4,-2.2 34,-0.2 1,-0.3 3,-0.1 -0.287 85.1 13.8 -58.6 130.9 -23.9 57.3 -0.5 19 20 A G T 3 S+ 0 0 47 32,-3.7 2,-0.3 1,-0.3 -1,-0.3 0.393 92.1 132.3 87.3 -4.7 -24.1 59.5 -3.5 20 21 A K < - 0 0 52 -3,-2.2 31,-2.5 31,-0.2 2,-0.5 -0.643 50.9-135.8 -84.5 138.4 -24.7 62.8 -1.6 21 22 A T B -A 50 0A 41 -2,-0.3 79,-2.6 29,-0.2 2,-0.3 -0.813 16.9-123.4 -97.5 129.0 -22.7 65.8 -2.6 22 23 A I E +B 99 0B 5 27,-3.0 26,-2.5 -2,-0.5 77,-0.3 -0.517 31.5 171.3 -72.3 129.2 -21.2 68.0 0.1 23 24 A E E - 0 0 117 75,-3.7 2,-0.3 1,-0.4 76,-0.2 0.659 64.5 -4.5-108.8 -27.2 -22.2 71.7 -0.1 24 25 A D E -B 98 0B 54 74,-1.5 74,-2.7 22,-0.1 -1,-0.4 -0.979 53.8-148.5-163.9 158.5 -20.8 73.1 3.2 25 26 A V E -B 97 0B 8 -2,-0.3 2,-0.4 72,-0.2 72,-0.2 -0.998 12.7-162.7-137.5 131.9 -19.0 72.0 6.5 26 27 A R E -B 96 0B 116 70,-2.8 70,-2.1 -2,-0.4 2,-0.5 -0.959 3.0-164.4-125.2 131.4 -19.3 73.7 9.9 27 28 A I E +B 95 0B 36 -2,-0.4 68,-0.2 68,-0.2 67,-0.1 -0.936 16.8 167.8-115.4 122.9 -17.1 73.4 13.0 28 29 A F S S+ 0 0 109 66,-3.3 67,-0.1 -2,-0.5 -1,-0.1 0.382 82.5 38.5-109.8 -1.1 -18.2 74.5 16.5 29 30 A W > - 0 0 88 65,-0.7 3,-1.7 1,-0.1 -1,-0.2 -0.576 69.8-170.4-152.4 80.9 -15.3 72.8 18.4 30 31 A P G > S+ 0 0 66 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.703 74.2 73.4 -39.7 -46.0 -12.0 73.2 16.4 31 32 A N G 3 S+ 0 0 111 1,-0.3 6,-0.0 84,-0.0 0, 0.0 0.649 84.9 69.7 -53.0 -19.3 -9.7 70.9 18.5 32 33 A I G < S+ 0 0 1 -3,-1.7 84,-1.6 83,-0.1 2,-0.7 0.783 83.9 81.1 -69.9 -27.5 -11.5 67.9 17.0 33 34 A I E < +e 116 0C 9 -3,-2.4 84,-0.1 -4,-0.2 6,-0.1 -0.731 51.9 168.6 -85.6 113.9 -9.9 68.7 13.6 34 35 A R E + 0 0 122 82,-2.5 3,-0.2 -2,-0.7 83,-0.2 0.727 52.3 59.9 -98.6 -27.9 -6.3 67.3 13.5 35 36 A H E S+e 117 0C 55 81,-1.1 83,-0.9 1,-0.4 -1,-0.3 -0.883 105.0 25.0-162.5 126.6 -5.3 67.6 9.8 36 37 A P S S- 0 0 23 0, 0.0 -1,-0.4 0, 0.0 6,-0.2 0.586 88.2-145.1 -67.0 153.7 -5.1 69.9 8.2 37 38 A R S S+ 0 0 61 -3,-0.2 2,-0.7 -2,-0.2 -2,-0.1 0.889 81.5 78.9 -55.5 -44.3 -4.6 71.9 11.4 38 39 A D S >> S- 0 0 103 1,-0.2 4,-1.9 -4,-0.1 3,-1.2 -0.569 71.6-154.2 -71.7 110.6 -6.5 74.9 10.1 39 40 A S H 3> S+ 0 0 36 -2,-0.7 4,-1.4 1,-0.3 -1,-0.2 0.672 93.1 60.9 -59.7 -17.6 -10.2 74.1 10.4 40 41 A E H 3> S+ 0 0 60 2,-0.2 4,-1.6 1,-0.1 -1,-0.3 0.830 105.1 46.2 -79.7 -30.8 -11.0 76.5 7.6 41 42 A A H <> S+ 0 0 42 -3,-1.2 4,-2.0 2,-0.2 5,-0.2 0.910 109.5 54.7 -74.1 -41.9 -8.8 74.5 5.1 42 43 A F H X S+ 0 0 0 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.914 110.9 47.4 -54.9 -45.3 -10.4 71.2 6.3 43 44 A A H X S+ 0 0 16 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.2 0.879 111.8 48.2 -66.2 -41.0 -13.8 72.7 5.5 44 45 A A H < S+ 0 0 66 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.782 102.7 58.9 -75.0 -28.4 -13.0 74.1 2.1 45 46 A R H < S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.812 105.0 51.2 -73.0 -27.5 -11.3 71.0 0.5 46 47 A M H >< S+ 0 0 2 -4,-0.8 3,-2.2 -5,-0.2 -24,-0.3 0.745 81.1 110.0 -80.4 -24.8 -14.4 68.9 1.0 47 48 A I T 3< S+ 0 0 86 -4,-0.7 -24,-0.2 1,-0.3 3,-0.1 -0.290 84.1 19.8 -57.3 125.8 -16.9 71.3 -0.7 48 49 A G T 3 S+ 0 0 48 -26,-2.5 2,-0.3 1,-0.3 -1,-0.3 0.404 94.9 123.1 97.2 -3.8 -18.0 69.8 -4.0 49 50 A Q < - 0 0 15 -3,-2.2 -27,-3.0 -27,-0.1 2,-0.4 -0.657 52.9-135.7 -94.7 150.4 -17.1 66.2 -3.3 50 51 A T B -A 21 0A 17 -2,-0.3 2,-0.7 -29,-0.2 -29,-0.2 -0.859 20.3-115.9-107.6 136.6 -19.5 63.3 -3.5 51 52 A V + 0 0 6 -31,-2.5 -32,-3.7 -2,-0.4 14,-0.2 -0.585 39.4 168.1 -71.6 111.5 -19.7 60.5 -0.9 52 53 A R - 0 0 151 12,-2.2 2,-0.3 -2,-0.7 13,-0.2 0.746 56.7 -19.2 -96.5 -29.7 -18.7 57.3 -2.8 53 54 A G E -F 64 0C 14 11,-1.7 11,-2.5 -36,-0.1 2,-0.3 -0.977 47.9-132.3-166.6 176.8 -18.2 54.8 0.0 54 55 A L E +F 63 0C 6 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.939 25.7 171.3-148.8 122.9 -17.6 54.0 3.7 55 56 A E E -F 62 0C 103 7,-2.7 7,-3.1 -2,-0.3 2,-0.3 -0.666 20.7-132.2-125.4 178.0 -15.0 51.6 5.3 56 57 A R E -F 61 0C 48 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.990 12.9-178.4-135.5 143.4 -13.6 50.6 8.7 57 58 A R E > -F 60 0C 70 3,-2.0 3,-2.3 -2,-0.3 2,-0.3 -0.892 70.0 -52.5-140.4 105.1 -10.0 50.0 9.9 58 59 A G T 3 S- 0 0 0 -2,-0.4 111,-0.1 1,-0.3 -52,-0.0 -0.480 123.0 -20.3 63.4-125.6 -9.8 48.8 13.5 59 60 A K T 3 S+ 0 0 37 -2,-0.3 15,-0.5 -3,-0.1 2,-0.3 0.357 117.7 101.5 -95.8 5.2 -11.8 51.4 15.5 60 61 A F E < -FG 57 73C 22 -3,-2.3 -3,-2.0 13,-0.1 2,-0.4 -0.726 63.9-140.8 -95.4 138.2 -11.6 54.1 12.8 61 62 A L E -FG 56 72C 0 11,-2.9 11,-2.5 -2,-0.3 2,-0.5 -0.785 16.8-155.6 -91.0 137.6 -14.4 55.0 10.4 62 63 A K E -FG 55 71C 22 -7,-3.1 -7,-2.7 -2,-0.4 2,-0.3 -0.851 2.7-159.5-122.8 98.3 -13.0 55.8 6.9 63 64 A F E -FG 54 70C 7 7,-2.7 7,-2.5 -2,-0.5 2,-0.6 -0.577 8.3-150.4 -76.2 128.8 -15.2 58.0 4.7 64 65 A L E +FG 53 69C 31 -11,-2.5 -12,-2.2 -2,-0.3 -11,-1.7 -0.886 24.6 163.4-107.2 112.8 -14.4 57.8 1.0 65 66 A L - 0 0 3 3,-2.4 -14,-0.1 -2,-0.6 4,-0.1 0.226 54.7 -68.5 -99.5-139.6 -15.1 60.9 -1.1 66 67 A D S S- 0 0 67 -20,-0.1 -20,-0.0 -14,-0.0 3,-0.0 0.939 119.2 -14.0 -83.2 -56.7 -13.9 61.9 -4.7 67 68 A R S S+ 0 0 60 54,-0.1 54,-2.7 53,-0.0 55,-0.2 0.571 127.8 66.2-119.7 -23.6 -10.2 62.4 -4.1 68 69 A D E - H 0 120C 12 52,-0.3 -3,-2.4 53,-0.1 2,-0.4 -0.565 60.7-148.3-103.7 166.3 -10.0 62.5 -0.3 69 70 A A E -GH 64 119C 0 50,-2.4 50,-1.5 -5,-0.2 2,-0.6 -0.993 14.0-145.7-128.6 132.3 -10.7 60.1 2.6 70 71 A L E -GH 63 118C 3 -7,-2.5 -7,-2.7 -2,-0.4 2,-0.7 -0.925 11.7-155.8-104.7 118.9 -12.0 61.4 5.9 71 72 A I E -GH 62 117C 2 46,-3.3 46,-2.3 -2,-0.6 2,-0.4 -0.845 14.6-175.5 -99.4 112.5 -10.6 59.5 8.9 72 73 A S E -GH 61 116C 0 -11,-2.5 -11,-2.9 -2,-0.7 2,-0.5 -0.913 13.7-170.7-117.5 130.0 -12.8 59.6 12.1 73 74 A H E -GH 60 115C 28 42,-2.2 42,-1.7 -2,-0.4 -13,-0.1 -0.964 7.9-162.0-115.4 126.6 -12.2 58.2 15.6 74 75 A L > - 0 0 4 -15,-0.5 4,-2.2 -2,-0.5 3,-0.5 0.632 16.9-177.4 -83.3 -15.1 -15.1 58.2 18.1 75 76 A R T 4 - 0 0 122 1,-0.2 -1,-0.2 2,-0.2 34,-0.0 -0.286 64.6 -29.6 50.7-125.0 -13.2 57.8 21.4 76 77 A M T 4 S+ 0 0 104 1,-0.0 -1,-0.2 33,-0.0 -2,-0.1 0.827 139.6 14.2 -94.4 -34.2 -15.7 57.6 24.3 77 78 A E T 4 S+ 0 0 89 -3,-0.5 33,-0.3 -76,-0.0 -2,-0.2 0.563 81.5 131.7-120.0 -9.3 -18.8 59.6 23.3 78 79 A G < + 0 0 7 -4,-2.2 2,-0.3 31,-0.2 31,-0.3 -0.140 28.6 170.7 -50.4 134.7 -18.6 60.3 19.6 79 80 A R E -C 108 0B 31 29,-2.8 29,-3.3 2,-0.0 2,-0.3 -0.997 20.7-147.2-150.5 144.0 -21.8 59.6 17.6 80 81 A Y E +C 107 0B 29 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.791 18.7 165.5-110.7 153.3 -23.2 60.2 14.1 81 82 A A E -C 106 0B 43 25,-1.5 25,-3.5 -2,-0.3 2,-0.4 -0.939 23.9-139.6-163.1 141.4 -26.8 60.8 12.8 82 83 A V E +C 105 0B 43 -2,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.891 35.2 145.0-109.0 139.1 -28.3 62.1 9.5 83 84 A A E -C 104 0B 38 21,-2.2 21,-2.3 -2,-0.4 2,-0.2 -0.948 49.8 -62.3-158.5 177.1 -31.3 64.5 9.4 84 85 A S E > -C 103 0B 55 -2,-0.3 3,-1.3 19,-0.2 19,-0.2 -0.466 36.7-136.8 -69.8 136.6 -33.1 67.4 7.7 85 86 A A T 3 S+ 0 0 46 17,-2.8 -1,-0.1 1,-0.2 18,-0.1 0.628 100.3 66.3 -69.2 -10.9 -31.1 70.7 7.6 86 87 A L T 3 S+ 0 0 157 16,-0.3 -1,-0.2 2,-0.1 17,-0.1 0.592 86.7 81.6 -88.3 -9.1 -34.3 72.5 8.6 87 88 A E S < S- 0 0 127 -3,-1.3 2,-0.1 1,-0.1 -4,-0.0 -0.582 89.6 -93.3 -94.2 159.2 -34.6 70.9 12.1 88 89 A P - 0 0 103 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.356 42.1-111.2 -69.3 147.5 -32.8 72.1 15.3 89 90 A L - 0 0 81 1,-0.1 3,-0.1 -4,-0.1 -4,-0.0 -0.417 27.1-114.8 -78.6 154.3 -29.5 70.5 16.3 90 91 A E > - 0 0 92 1,-0.1 3,-0.7 -2,-0.1 -1,-0.1 -0.419 46.2 -87.3 -79.0 163.2 -29.2 68.2 19.3 91 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.367 111.0 32.0 -70.8 156.8 -26.9 69.5 22.1 92 93 A H T 3 S+ 0 0 94 1,-0.3 17,-1.8 16,-0.1 2,-0.7 0.738 76.4 149.4 69.5 24.0 -23.2 68.7 21.9 93 94 A T E < + D 0 108B 13 -3,-0.7 -1,-0.3 15,-0.2 15,-0.2 -0.818 12.4 166.2 -89.3 116.2 -23.2 68.7 18.1 94 95 A H E + 0 0 15 13,-1.9 -66,-3.3 -2,-0.7 -65,-0.7 0.703 57.6 31.3-107.5 -23.5 -19.7 69.9 17.1 95 96 A V E -BD 27 107B 0 12,-1.1 12,-2.3 -68,-0.2 2,-0.4 -0.998 61.3-179.1-139.1 134.1 -19.2 69.2 13.4 96 97 A V E -BD 26 106B 4 -70,-2.1 -70,-2.8 -2,-0.4 2,-0.5 -0.997 13.7-157.4-137.7 134.7 -21.9 69.1 10.6 97 98 A F E -BD 25 105B 5 8,-2.2 8,-2.2 -2,-0.4 2,-0.5 -0.949 14.3-152.8-111.9 120.6 -21.7 68.4 6.8 98 99 A C E -BD 24 104B 12 -74,-2.7 -75,-3.7 -2,-0.5 -74,-1.5 -0.800 8.1-152.3 -97.0 128.6 -24.4 69.8 4.7 99 100 A F E > -B 22 0B 9 4,-2.5 3,-1.8 -2,-0.5 -77,-0.2 -0.622 27.0-112.1 -97.3 156.3 -25.4 68.1 1.4 100 101 A T T 3 S+ 0 0 81 -79,-2.6 -78,-0.1 1,-0.3 -1,-0.1 0.522 111.1 64.1 -64.5 -3.1 -26.9 69.7 -1.7 101 102 A D T 3 S- 0 0 99 -80,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.399 119.3 -99.6-103.2 7.0 -30.2 67.9 -1.2 102 103 A G S < S+ 0 0 42 -3,-1.8 -17,-2.8 1,-0.4 -16,-0.3 0.372 89.1 106.8 96.5 -3.1 -31.1 69.6 2.1 103 104 A S E -C 84 0B 17 -19,-0.2 -4,-2.5 -18,-0.1 -1,-0.4 -0.581 49.3-157.4-103.8 169.2 -30.0 66.8 4.4 104 105 A E E -CD 83 98B 12 -21,-2.3 -21,-2.2 -6,-0.2 2,-0.6 -0.995 19.9-128.2-150.2 154.3 -27.0 66.6 6.7 105 106 A L E -CD 82 97B 5 -8,-2.2 -8,-2.2 -2,-0.3 2,-0.4 -0.908 31.9-159.8-101.6 120.9 -24.6 64.4 8.6 106 107 A R E -CD 81 96B 8 -25,-3.5 -25,-1.5 -2,-0.6 2,-0.5 -0.870 8.3-159.2-109.6 134.9 -24.2 65.3 12.3 107 108 A Y E -CD 80 95B 1 -12,-2.3 -13,-1.9 -2,-0.4 -12,-1.1 -0.945 11.7-175.7-113.8 121.4 -21.4 64.5 14.8 108 109 A R E +CD 79 93B 94 -29,-3.3 -29,-2.8 -2,-0.5 -15,-0.2 -0.883 10.7 166.0-115.3 148.2 -22.0 64.6 18.5 109 110 A D - 0 0 0 -17,-1.8 3,-0.3 -2,-0.3 -31,-0.2 -0.707 17.3-165.1-164.6 102.8 -19.5 64.0 21.3 110 111 A V S S+ 0 0 82 -33,-0.3 -1,-0.1 1,-0.2 -18,-0.1 0.913 92.8 37.3 -59.5 -48.8 -20.2 65.0 24.9 111 112 A R S S- 0 0 130 -19,-0.0 -1,-0.2 1,-0.0 -19,-0.0 0.593 101.4-130.9 -83.3 -9.7 -16.7 64.8 26.3 112 113 A K + 0 0 77 -3,-0.3 -2,-0.1 -20,-0.1 -37,-0.1 0.785 66.1 127.1 67.9 31.7 -15.1 66.2 23.1 113 114 A F + 0 0 91 -39,-0.2 -38,-0.2 2,-0.1 -1,-0.1 0.741 36.6 110.0 -91.1 -23.6 -12.4 63.5 22.7 114 115 A G - 0 0 1 -40,-0.3 2,-0.3 1,-0.1 -40,-0.2 0.080 51.0-152.6 -50.4 161.1 -13.0 62.5 19.1 115 116 A T E - H 0 73C 5 -42,-1.7 -42,-2.2 -82,-0.0 2,-0.3 -0.954 8.7-160.0-139.2 157.6 -10.6 63.3 16.2 116 117 A M E +eH 33 72C 0 -84,-1.6 -82,-2.5 -2,-0.3 -81,-1.1 -0.989 10.0 173.9-143.9 130.3 -10.7 63.8 12.5 117 118 A H E -eH 35 71C 27 -46,-2.3 -46,-3.3 -2,-0.3 2,-0.3 -0.908 8.5-165.6-128.2 157.3 -8.0 63.6 9.7 118 119 A V E + H 0 70C 0 -83,-0.9 2,-0.3 -2,-0.3 -48,-0.2 -0.969 15.5 155.3-150.1 131.9 -8.3 63.9 5.9 119 120 A Y E - H 0 69C 14 -50,-1.5 -50,-2.4 -2,-0.3 5,-0.1 -0.914 53.5 -73.9-145.4 166.7 -5.8 63.0 3.2 120 121 A A E >> - H 0 68C 48 -2,-0.3 3,-1.7 -52,-0.2 4,-1.1 -0.379 56.6-108.6 -60.9 148.4 -5.9 62.1 -0.5 121 122 A K H >> S+ 0 0 82 -54,-2.7 3,-0.9 1,-0.3 4,-0.5 0.889 116.2 51.5 -46.4 -55.4 -7.1 58.5 -0.7 122 123 A E H 34 S+ 0 0 101 1,-0.2 -1,-0.3 -55,-0.2 -2,-0.1 0.577 111.4 49.6 -63.6 -10.1 -3.8 56.9 -1.8 123 124 A E H X4 S+ 0 0 34 -3,-1.7 3,-1.2 2,-0.1 4,-0.4 0.639 86.9 84.5-103.4 -16.1 -2.0 58.6 1.2 124 125 A A H X< S+ 0 0 1 -4,-1.1 3,-1.0 -3,-0.9 6,-0.4 0.882 90.8 47.0 -53.5 -48.0 -4.4 57.6 4.0 125 126 A D T 3< S+ 0 0 110 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.607 109.9 54.9 -74.1 -10.2 -2.9 54.2 4.7 126 127 A R T < S+ 0 0 80 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.408 105.0 57.5-103.2 4.1 0.6 55.5 4.7 127 128 A R S X> S- 0 0 112 -3,-1.0 4,-1.4 -4,-0.4 3,-1.0 -0.845 88.0 -44.3-131.8 166.2 0.1 58.2 7.4 128 129 A P T 34 S+ 0 0 78 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.366 109.5 22.5 -67.8 152.1 -1.0 58.6 11.0 129 130 A P T 34 S+ 0 0 39 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 -0.985 132.6 36.4 -90.5 4.8 -3.2 57.6 12.6 130 131 A L T X4 S+ 0 0 11 -3,-1.0 3,-0.8 -6,-0.4 -5,-0.1 0.653 99.3 81.0 -88.3 -14.6 -3.8 54.5 10.3 131 132 A A T 3< S+ 0 0 51 -4,-1.4 2,-1.4 1,-0.3 -1,-0.1 0.958 92.6 39.1 -56.4 -66.6 -0.2 53.8 9.5 132 133 A E T 3 S+ 0 0 79 -6,-0.0 2,-0.4 -3,-0.0 -1,-0.3 -0.282 90.2 131.8 -85.8 53.7 1.2 51.9 12.4 133 134 A L < - 0 0 27 -2,-1.4 33,-0.2 -3,-0.8 36,-0.1 -0.861 51.5-124.5-109.4 139.6 -2.0 49.9 12.9 134 135 A G - 0 0 6 31,-2.3 34,-0.2 -2,-0.4 33,-0.1 -0.027 37.8 -71.9 -73.5 179.2 -2.2 46.1 13.3 135 136 A P - 0 0 34 0, 0.0 34,-2.0 0, 0.0 -1,-0.1 -0.227 53.3 -93.6 -70.8 159.3 -4.1 43.4 11.3 136 137 A E > - 0 0 30 32,-0.1 3,-1.4 1,-0.1 6,-0.6 -0.551 25.6-137.5 -75.5 132.9 -7.8 42.9 11.4 137 138 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 33,-0.1 0.808 102.9 53.0 -59.8 -31.7 -9.0 40.2 14.0 138 139 A L T 3 S+ 0 0 88 72,-0.1 -2,-0.1 3,-0.0 69,-0.0 -0.030 101.7 80.6 -94.6 30.9 -11.5 38.7 11.6 139 140 A S S X S- 0 0 34 -3,-1.4 3,-2.4 1,-0.0 0, 0.0 -0.946 90.6-109.4-136.7 157.0 -8.9 38.3 8.8 140 141 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.696 110.9 76.4 -55.4 -20.1 -6.1 35.8 7.9 141 142 A A T 3 S+ 0 0 59 -5,-0.1 2,-0.5 1,-0.1 5,-0.1 0.831 90.4 62.2 -61.7 -31.7 -3.6 38.6 8.9 142 143 A F S < S+ 0 0 7 -3,-2.4 -1,-0.1 -6,-0.6 26,-0.1 -0.869 70.9 147.5 -99.7 126.3 -4.4 37.7 12.5 143 144 A S > - 0 0 36 -2,-0.5 4,-0.7 1,-0.1 5,-0.1 -0.888 62.8 -96.3-146.1 173.2 -3.5 34.2 13.5 144 145 A P H >> S+ 0 0 50 0, 0.0 4,-1.0 0, 0.0 3,-0.5 0.891 124.3 53.0 -63.0 -35.5 -2.2 32.3 16.6 145 146 A A H >> S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.940 104.5 51.6 -62.7 -52.3 1.3 32.7 15.3 146 147 A V H 34 S+ 0 0 40 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.614 110.5 52.7 -63.2 -11.6 1.1 36.5 14.8 147 148 A L H 4 S+ 0 0 114 -4,-0.4 3,-0.9 1,-0.1 -1,-0.3 0.838 114.5 51.4 -79.2 -36.8 4.5 39.7 20.2 151 152 A A H >< S+ 0 0 6 -4,-1.1 3,-1.0 1,-0.2 -2,-0.2 0.899 100.6 61.0 -69.4 -41.8 3.8 37.8 23.5 152 153 A V T 3< S+ 0 0 86 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.217 102.8 58.0 -71.9 19.0 7.1 36.0 23.7 153 154 A K T < S+ 0 0 78 -3,-0.9 2,-0.3 -5,-0.2 -1,-0.3 -0.004 95.6 55.0-140.6 34.9 8.8 39.4 23.9 154 155 A T < - 0 0 43 -3,-1.0 38,-0.7 1,-0.1 37,-0.1 -0.959 53.1-146.2-168.3 148.4 7.5 41.4 26.8 155 156 A K + 0 0 65 -2,-0.3 36,-0.2 36,-0.1 38,-0.1 0.776 68.0 110.3 -84.4 -28.6 6.9 41.5 30.6 156 157 A R S S- 0 0 101 34,-0.2 35,-2.5 35,-0.1 36,-0.3 0.116 80.5 -85.6 -44.2 159.4 3.7 43.5 30.4 157 158 A S B > -I 190 0D 19 33,-0.2 4,-0.7 1,-0.1 31,-0.2 -0.104 33.6-115.7 -62.7 167.4 0.4 41.9 31.3 158 159 A V H > S+ 0 0 2 31,-2.0 4,-1.3 29,-0.7 30,-0.1 0.797 116.8 54.0 -78.1 -28.4 -1.6 40.0 28.6 159 160 A K H > S+ 0 0 0 28,-1.4 4,-1.8 30,-0.3 3,-0.2 0.910 104.0 54.8 -69.7 -41.0 -4.4 42.6 28.8 160 161 A A H > S+ 0 0 15 27,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.785 107.3 52.6 -62.1 -26.3 -1.9 45.4 28.2 161 162 A L H < S+ 0 0 4 -4,-0.7 -1,-0.2 1,-0.2 6,-0.2 0.829 109.1 47.9 -78.0 -35.1 -0.8 43.6 25.1 162 163 A L H < S+ 0 0 0 -4,-1.3 9,-0.3 -3,-0.2 -2,-0.2 0.744 104.5 58.2 -78.7 -26.0 -4.4 43.3 23.7 163 164 A L H < S+ 0 0 35 -4,-1.8 2,-0.5 -5,-0.1 -1,-0.2 0.755 85.2 99.5 -74.7 -21.8 -5.4 46.9 24.3 164 165 A D >X - 0 0 40 -4,-0.5 4,-1.4 -5,-0.2 3,-1.2 -0.523 64.4-155.3 -71.4 113.0 -2.4 47.9 22.1 165 166 A Q T 34 S+ 0 0 45 -2,-0.5 -31,-2.3 1,-0.2 -1,-0.1 0.665 89.8 62.8 -64.1 -18.5 -3.7 48.7 18.5 166 167 A T T 34 S+ 0 0 70 -33,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.767 104.3 49.0 -77.7 -24.4 -0.3 47.9 16.9 167 168 A V T <4 S- 0 0 9 -3,-1.2 2,-0.3 1,-0.4 -2,-0.2 0.959 136.5 -14.8 -76.1 -55.0 -0.6 44.3 18.0 168 169 A V S < S- 0 0 0 -4,-1.4 2,-0.4 -7,-0.2 3,-0.4 -0.977 75.8-121.8-149.6 137.0 -4.1 43.7 16.8 169 170 A A S S+ 0 0 0 -34,-2.0 -111,-0.2 -2,-0.3 -4,-0.1 -0.690 79.5 23.2 -92.5 130.6 -6.7 46.3 15.8 170 171 A G S S+ 0 0 0 -2,-0.4 -167,-2.0 1,-0.3 2,-0.2 0.190 75.1 123.3 117.7 -22.2 -10.1 46.8 17.3 171 172 A F + 0 0 0 -3,-0.4 -1,-0.3 -9,-0.3 2,-0.2 -0.556 31.2 174.1 -83.1 142.0 -10.2 45.4 20.9 172 173 A G > - 0 0 3 -2,-0.2 4,-2.3 -8,-0.0 5,-0.3 -0.641 48.9 -71.0-130.2-172.0 -11.1 47.5 23.9 173 174 A N H > S+ 0 0 15 1,-0.2 4,-1.4 -2,-0.2 5,-0.2 0.845 126.2 47.4 -51.4 -42.1 -11.8 47.2 27.7 174 175 A I H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 59,-0.2 0.971 118.1 36.8 -67.9 -55.1 -15.1 45.4 27.2 175 176 A Y H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.641 112.8 57.8 -77.5 -13.5 -14.0 42.7 24.7 176 177 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.929 110.1 43.6 -77.6 -46.6 -10.5 42.2 26.2 177 178 A D H X S+ 0 0 2 -4,-1.4 4,-1.3 -5,-0.3 -2,-0.2 0.901 115.7 49.0 -63.2 -41.0 -12.0 41.3 29.6 178 179 A E H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.922 111.6 48.8 -64.5 -44.9 -14.7 39.1 28.0 179 180 A S H X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.896 109.4 50.7 -62.5 -42.6 -12.2 37.3 25.8 180 181 A L H <>S+ 0 0 1 -4,-2.3 5,-2.6 1,-0.2 4,-0.4 0.803 110.4 51.7 -68.2 -25.2 -9.8 36.6 28.7 181 182 A F H ><5S+ 0 0 5 -4,-1.3 3,-0.9 2,-0.2 -2,-0.2 0.912 107.9 49.7 -74.1 -45.3 -12.7 35.1 30.7 182 183 A R H 3<5S+ 0 0 35 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.712 114.3 47.3 -65.9 -21.4 -13.8 32.8 27.9 183 184 A A T 3<5S- 0 0 9 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.505 109.8-122.6 -97.6 -8.0 -10.2 31.6 27.6 184 185 A G T < 5 + 0 0 26 -3,-0.9 81,-1.1 -4,-0.4 2,-0.4 0.908 64.7 134.6 67.2 44.5 -9.7 31.1 31.3 185 186 A I < - 0 0 1 -5,-2.6 -1,-0.2 79,-0.2 -2,-0.2 -0.991 56.5-122.4-130.1 126.6 -6.7 33.5 31.6 186 187 A L > - 0 0 62 79,-0.8 3,-1.0 -2,-0.4 -28,-0.3 -0.421 17.7-137.9 -66.3 137.3 -6.2 36.1 34.3 187 188 A P T 3 S+ 0 0 4 0, 0.0 -28,-1.4 0, 0.0 -29,-0.7 0.876 98.3 56.3 -64.3 -40.8 -5.7 39.7 32.9 188 189 A G T 3 S+ 0 0 47 -31,-0.2 65,-0.1 -30,-0.1 3,-0.1 0.497 84.4 112.2 -73.5 -1.1 -2.9 40.7 35.2 189 190 A R S < S- 0 0 64 -3,-1.0 -31,-2.0 1,-0.1 -30,-0.3 -0.404 78.7 -94.1 -76.2 149.1 -0.7 37.8 34.1 190 191 A P B > -I 157 0D 64 0, 0.0 3,-0.8 0, 0.0 -33,-0.2 -0.331 23.6-136.1 -60.7 136.6 2.5 38.2 32.1 191 192 A A G > S+ 0 0 1 -35,-2.5 3,-0.8 1,-0.2 -36,-0.1 0.789 106.1 54.1 -64.4 -29.5 2.1 37.8 28.3 192 193 A A G 3 S+ 0 0 62 -38,-0.7 -1,-0.2 -36,-0.3 -37,-0.1 0.668 94.2 70.1 -78.5 -18.9 5.3 35.7 28.2 193 194 A S G < S+ 0 0 48 -3,-0.8 2,-0.5 -38,-0.1 -1,-0.2 0.184 77.4 109.6 -83.9 17.1 3.9 33.3 30.8 194 195 A L < - 0 0 20 -3,-0.8 -9,-0.0 -43,-0.1 -3,-0.0 -0.845 62.3-139.5-101.3 127.2 1.4 32.0 28.3 195 196 A S > - 0 0 57 -2,-0.5 4,-2.1 1,-0.1 5,-0.1 -0.111 26.9-107.0 -71.0 174.3 1.7 28.5 26.9 196 197 A S H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.925 120.8 56.1 -70.1 -43.8 1.1 27.6 23.3 197 198 A K H > S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.821 110.9 46.6 -56.7 -31.8 -2.2 25.9 24.1 198 199 A E H > S+ 0 0 48 2,-0.2 4,-3.1 3,-0.2 5,-0.2 0.904 108.3 53.8 -77.4 -44.4 -3.2 29.2 25.8 199 200 A I H X S+ 0 0 14 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.975 112.4 43.1 -54.1 -59.9 -2.2 31.4 22.9 200 201 A E H X S+ 0 0 48 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.876 115.0 51.6 -53.5 -40.8 -4.2 29.4 20.3 201 202 A R H X S+ 0 0 111 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.2 0.909 110.4 47.5 -63.2 -44.6 -7.1 29.3 22.7 202 203 A L H X S+ 0 0 2 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.868 109.7 53.6 -65.0 -39.3 -7.0 33.0 23.3 203 204 A H H X S+ 0 0 29 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.883 110.0 48.6 -62.9 -39.1 -6.8 33.7 19.6 204 205 A E H X S+ 0 0 65 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.829 109.8 49.8 -72.0 -34.3 -9.9 31.5 19.1 205 206 A E H X S+ 0 0 34 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.776 109.0 52.9 -75.8 -26.6 -12.0 33.2 21.8 206 207 A M H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.906 110.9 46.4 -72.5 -42.9 -11.2 36.7 20.5 207 208 A V H X S+ 0 0 46 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.947 114.8 46.3 -63.5 -49.4 -12.4 35.8 17.0 208 209 A A H X S+ 0 0 40 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.743 114.8 48.2 -67.1 -25.1 -15.5 34.1 18.3 209 210 A T H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.940 112.3 45.4 -80.5 -50.6 -16.3 37.1 20.6 210 211 A I H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.873 114.4 51.6 -58.8 -37.1 -15.8 39.9 18.1 211 212 A G H X S+ 0 0 27 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.936 110.2 46.9 -66.4 -46.7 -17.8 37.9 15.5 212 213 A E H < S+ 0 0 89 -4,-1.3 4,-0.4 1,-0.2 -2,-0.2 0.912 108.5 53.9 -61.5 -47.8 -20.8 37.4 17.9 213 214 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-1.2 0.887 107.1 53.2 -56.3 -40.6 -21.0 41.0 19.1 214 215 A V H ><5S+ 0 0 45 -4,-1.5 3,-1.9 1,-0.3 -1,-0.2 0.921 103.1 55.6 -61.9 -44.8 -21.2 42.1 15.4 215 216 A M T 3<5S+ 0 0 91 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.525 111.5 47.0 -67.2 -3.4 -24.1 39.8 14.6 216 217 A K T < 5S- 0 0 38 -3,-1.2 9,-1.8 -4,-0.4 10,-0.4 0.206 118.0-107.9-120.5 11.4 -26.0 41.5 17.5 217 218 A G T < 5 - 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