==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-12 4DNP . COMPND 2 MOLECULE: DAD2; . SOURCE 2 ORGANISM_SCIENTIFIC: PETUNIA HYBRIDA; . AUTHOR C.HAMIAUX . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.0 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 . 2 0.8 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 . 23 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 35.4 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 1 0 0 0 0 1 0 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A Q > 0 0 190 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -90.2 -65.3 -51.1 17.0 2 4 A T H > + 0 0 95 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.789 360.0 65.3 -66.5 -22.8 -64.8 -47.8 18.9 3 5 A L H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 99.5 49.1 -55.5 -48.9 -61.1 -48.4 18.0 4 6 A L H 4>S+ 0 0 38 1,-0.2 5,-3.1 2,-0.2 -2,-0.2 0.880 115.5 44.2 -59.3 -41.9 -62.1 -48.0 14.3 5 7 A D H ><5S+ 0 0 118 -4,-1.5 3,-1.4 3,-0.2 -1,-0.2 0.881 109.9 56.0 -64.1 -44.3 -63.9 -44.7 15.2 6 8 A A H 3<5S+ 0 0 13 -4,-2.9 51,-0.3 1,-0.3 -2,-0.2 0.904 113.8 38.2 -62.3 -41.0 -61.1 -43.5 17.5 7 9 A L T 3<5S- 0 0 4 -4,-2.2 42,-2.4 -5,-0.2 -1,-0.3 0.115 110.8-118.1-100.0 19.0 -58.5 -43.7 14.7 8 10 A N T < 5 - 0 0 66 -3,-1.4 -3,-0.2 40,-0.2 2,-0.2 0.876 38.6-163.4 51.7 45.1 -60.8 -42.5 12.0 9 11 A V < - 0 0 32 -5,-3.1 2,-0.4 -6,-0.2 39,-0.2 -0.438 10.1-176.7 -64.2 135.5 -60.5 -45.7 10.0 10 12 A R E -A 47 0A 118 37,-2.6 37,-3.1 -2,-0.2 2,-0.5 -1.000 14.2-164.8-140.3 134.2 -61.7 -45.2 6.4 11 13 A V E +A 46 0A 58 -2,-0.4 2,-0.3 35,-0.2 35,-0.2 -0.987 19.7 161.4-124.4 123.4 -62.0 -47.8 3.6 12 14 A V E +A 45 0A 29 33,-2.2 33,-3.3 -2,-0.5 2,-0.1 -0.959 22.2 70.3-137.8 154.4 -62.4 -46.6 -0.0 13 15 A G - 0 0 36 -2,-0.3 28,-0.2 31,-0.2 27,-0.1 -0.215 63.3-110.4 119.1 159.0 -61.9 -48.1 -3.5 14 16 A S S S+ 0 0 109 26,-3.5 30,-0.2 -2,-0.1 27,-0.2 0.316 79.7 96.4-101.8 -1.6 -63.5 -50.7 -5.9 15 17 A G - 0 0 20 28,-2.0 28,-0.2 25,-0.4 27,-0.1 -0.242 64.1-140.8 -85.3 176.9 -60.7 -53.4 -5.8 16 18 A E S S+ 0 0 172 26,-0.4 27,-0.1 2,-0.1 -1,-0.1 0.733 77.6 88.4-104.1 -39.4 -60.5 -56.6 -3.8 17 19 A R S S- 0 0 182 25,-0.5 27,-2.7 1,-0.1 2,-0.4 -0.408 81.3-125.4 -60.0 132.3 -56.7 -56.5 -3.1 18 20 A V E -b 44 0A 14 69,-0.4 71,-2.8 25,-0.2 2,-0.5 -0.696 26.8-175.5 -91.2 132.0 -56.1 -54.6 0.2 19 21 A L E -bc 45 89A 0 25,-2.3 27,-2.8 -2,-0.4 2,-0.5 -0.992 9.5-156.9-124.0 121.1 -53.7 -51.7 0.3 20 22 A V E -bc 46 90A 0 69,-3.1 71,-3.0 -2,-0.5 2,-0.6 -0.867 1.2-161.5-102.9 129.4 -53.0 -50.0 3.6 21 23 A L E -bc 47 91A 0 25,-2.7 27,-0.8 -2,-0.5 2,-0.6 -0.963 11.4-174.8-109.7 113.7 -51.8 -46.4 3.6 22 24 A A E -bc 48 92A 0 69,-3.0 71,-2.1 -2,-0.6 74,-0.1 -0.937 12.6-143.9-120.1 115.0 -50.2 -45.5 6.9 23 25 A H - 0 0 2 25,-0.6 6,-0.1 -2,-0.6 2,-0.1 -0.175 12.6-136.0 -75.9 165.6 -49.0 -41.9 7.6 24 26 A G > - 0 0 0 1,-0.2 3,-1.5 4,-0.2 70,-0.2 -0.263 43.2 -36.5-108.1-165.3 -46.0 -40.8 9.5 25 27 A F T 3 S+ 0 0 29 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.252 119.5 12.6 -60.0 134.9 -44.9 -38.2 12.1 26 28 A G T 3 S+ 0 0 2 1,-0.3 -1,-0.2 149,-0.1 2,-0.2 0.257 115.1 71.5 86.7 -10.6 -46.5 -34.8 11.9 27 29 A T < - 0 0 4 -3,-1.5 -1,-0.3 149,-0.1 2,-0.2 -0.531 63.4-142.1-120.5-172.5 -49.3 -35.6 9.5 28 30 A D > - 0 0 14 -2,-0.2 3,-2.2 25,-0.1 -4,-0.2 -0.723 52.6 -69.7-137.0-171.7 -52.6 -37.6 9.4 29 31 A Q G > S+ 0 0 22 1,-0.3 3,-1.9 -2,-0.2 4,-0.1 0.704 120.6 77.5 -60.7 -18.9 -54.2 -39.8 6.8 30 32 A S G > S+ 0 0 20 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.690 73.9 80.2 -63.9 -15.0 -54.9 -36.6 4.7 31 33 A A G < S+ 0 0 3 -3,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.772 89.3 55.4 -60.5 -24.6 -51.3 -36.8 3.7 32 34 A W G X> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.2 3,-1.0 0.413 76.9 103.9 -85.9 1.1 -52.4 -39.5 1.2 33 35 A N T <4 S+ 0 0 83 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.813 79.9 46.0 -60.6 -38.2 -55.0 -37.4 -0.5 34 36 A R T 34 S+ 0 0 86 -3,-0.4 -1,-0.3 213,-0.3 4,-0.1 0.699 118.8 42.6 -81.8 -14.6 -53.0 -36.6 -3.7 35 37 A I T X4 S+ 0 0 0 -3,-1.0 3,-1.6 -4,-0.1 4,-0.3 0.756 96.8 79.5 -89.7 -33.3 -52.0 -40.3 -4.1 36 38 A L G >X S+ 0 0 13 -4,-2.4 3,-2.2 1,-0.3 4,-0.6 0.817 81.1 60.7 -55.3 -42.2 -55.4 -41.8 -3.2 37 39 A P G >4 S+ 0 0 86 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.817 97.0 63.0 -60.8 -23.4 -57.2 -41.4 -6.5 38 40 A F G <4 S+ 0 0 110 -3,-1.6 4,-0.2 1,-0.2 -2,-0.2 0.620 108.2 41.4 -72.0 -12.7 -54.6 -43.5 -8.4 39 41 A F G <> S+ 0 0 5 -3,-2.2 4,-1.5 -4,-0.3 -24,-0.2 0.406 85.3 91.9-117.5 -0.8 -55.5 -46.6 -6.3 40 42 A L T << S+ 0 0 65 -3,-0.7 -26,-3.5 -4,-0.6 -25,-0.4 0.788 87.2 49.0 -70.2 -27.3 -59.3 -46.5 -6.0 41 43 A R T 4 S+ 0 0 186 -4,-0.3 -1,-0.2 -28,-0.2 -2,-0.1 0.911 120.2 30.6 -83.1 -37.7 -59.9 -48.7 -9.1 42 44 A D T 4 S+ 0 0 76 -4,-0.2 -25,-0.5 -27,-0.1 -26,-0.4 0.539 117.5 49.1 -98.1 -11.8 -57.6 -51.6 -8.4 43 45 A Y < - 0 0 30 -4,-1.5 -28,-2.0 -28,-0.2 2,-0.7 -0.888 65.8-130.5-129.6 160.8 -57.6 -51.7 -4.6 44 46 A R E - b 0 18A 86 -27,-2.7 -25,-2.3 -2,-0.3 2,-0.5 -0.963 44.4-152.7 -97.9 107.0 -59.6 -51.7 -1.4 45 47 A V E -Ab 12 19A 0 -33,-3.3 -33,-2.2 -2,-0.7 2,-0.5 -0.755 11.0-161.0 -97.5 125.4 -57.7 -48.9 0.4 46 48 A V E +Ab 11 20A 1 -27,-2.8 -25,-2.7 -2,-0.5 2,-0.3 -0.918 12.8 178.5-106.1 124.9 -57.5 -48.8 4.2 47 49 A L E +Ab 10 21A 1 -37,-3.1 -37,-2.6 -2,-0.5 2,-0.3 -0.927 5.6 160.7-121.4 146.2 -56.5 -45.5 5.8 48 50 A Y E - b 0 22A 3 -27,-0.8 -25,-0.6 -2,-0.3 2,-0.4 -0.966 33.1-115.4-154.3 168.0 -56.2 -44.6 9.5 49 51 A D - 0 0 4 -42,-2.4 -21,-0.1 -2,-0.3 -40,-0.1 -0.902 29.8-117.8-106.8 137.6 -54.7 -42.0 11.8 50 52 A L > - 0 0 3 -2,-0.4 3,-1.7 -26,-0.1 6,-0.2 -0.378 33.8-109.7 -61.7 154.2 -52.0 -42.9 14.4 51 53 A V T 3 S+ 0 0 3 1,-0.3 9,-0.1 9,-0.1 10,-0.1 0.758 119.5 58.0 -59.9 -27.0 -53.2 -42.2 17.9 52 54 A C T 3 S+ 0 0 8 8,-0.1 -1,-0.3 3,-0.1 128,-0.2 0.585 80.2 116.9 -81.6 -11.1 -50.7 -39.2 18.0 53 55 A A S X S- 0 0 4 -3,-1.7 3,-1.5 1,-0.1 -25,-0.1 -0.221 73.9-126.6 -54.9 146.8 -52.3 -37.5 14.9 54 56 A G T 3 S+ 0 0 25 121,-0.3 -1,-0.1 1,-0.3 -26,-0.1 0.702 109.9 64.6 -72.0 -18.3 -53.9 -34.1 15.6 55 57 A S T 3 S+ 0 0 47 -5,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.522 89.5 82.7 -77.8 -9.5 -57.1 -35.5 14.1 56 58 A V S < S- 0 0 5 -3,-1.5 -49,-0.1 -6,-0.2 5,-0.1 -0.836 96.5-103.4 -98.2 133.8 -57.4 -38.0 16.9 57 59 A N > - 0 0 87 -2,-0.4 3,-2.3 -51,-0.3 4,-0.3 -0.363 28.1-139.3 -49.5 118.7 -59.0 -37.0 20.2 58 60 A P G > S+ 0 0 50 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.675 95.4 80.8 -66.0 -12.5 -55.9 -36.6 22.5 59 61 A D G 3 S+ 0 0 143 1,-0.2 -2,-0.1 3,-0.1 -3,-0.0 0.737 88.2 58.1 -55.2 -25.0 -57.8 -38.2 25.3 60 62 A F G < S+ 0 0 86 -3,-2.3 2,-1.5 -9,-0.1 -1,-0.2 0.641 80.5 94.8 -82.9 -17.3 -56.8 -41.5 23.6 61 63 A F < - 0 0 7 -3,-1.4 2,-1.0 -4,-0.3 -1,-0.1 -0.602 60.4-169.4 -80.6 90.7 -53.1 -40.7 23.9 62 64 A D >> - 0 0 73 -2,-1.5 4,-2.4 1,-0.2 3,-1.2 -0.725 10.6-161.4 -84.1 105.0 -52.3 -42.6 27.0 63 65 A F T 34 S+ 0 0 68 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.0 0.679 89.6 58.5 -58.7 -22.7 -48.8 -41.5 27.9 64 66 A R T 34 S+ 0 0 210 1,-0.1 -1,-0.2 2,-0.1 3,-0.2 0.749 115.8 34.7 -76.4 -27.2 -48.4 -44.6 30.2 65 67 A R T <4 S+ 0 0 81 -3,-1.2 2,-2.8 1,-0.2 3,-0.5 0.911 104.7 63.2 -93.6 -54.7 -49.0 -46.9 27.3 66 68 A Y < + 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 124,-0.1 -0.245 64.1 124.1 -77.6 59.1 -47.5 -45.4 24.1 67 69 A T S S+ 0 0 87 -2,-2.8 2,-0.2 -3,-0.2 -1,-0.2 0.614 76.7 12.5 -96.4 -19.1 -44.0 -45.6 25.5 68 70 A T S S- 0 0 65 -3,-0.5 4,-0.3 126,-0.0 123,-0.1 -0.828 90.6 -91.9-139.7-178.2 -42.6 -47.6 22.6 69 71 A L S >> S+ 0 0 13 -2,-0.2 4,-2.0 1,-0.2 3,-1.1 0.728 104.6 84.8 -70.2 -23.3 -43.7 -48.6 19.0 70 72 A D H 3> S+ 0 0 83 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.875 87.0 49.7 -52.4 -45.0 -45.3 -51.9 20.2 71 73 A P H 3> S+ 0 0 9 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.769 107.8 55.5 -68.7 -19.8 -48.7 -50.4 21.2 72 74 A Y H <> S+ 0 0 5 -3,-1.1 4,-2.3 -4,-0.3 -2,-0.2 0.892 106.9 50.6 -70.7 -40.5 -48.8 -48.6 17.8 73 75 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.952 106.6 55.3 -59.7 -48.6 -48.4 -52.1 16.3 74 76 A D H X S+ 0 0 38 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.902 108.1 48.3 -47.6 -52.3 -51.2 -53.3 18.5 75 77 A D H X S+ 0 0 11 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.926 111.0 50.2 -55.8 -48.3 -53.6 -50.6 17.1 76 78 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.951 113.5 44.5 -60.0 -48.8 -52.7 -51.4 13.5 77 79 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.863 111.5 52.7 -66.8 -35.8 -53.3 -55.1 13.9 78 80 A H H X S+ 0 0 90 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.909 109.1 50.4 -68.0 -37.3 -56.5 -54.7 15.8 79 81 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.963 114.2 44.7 -58.4 -50.9 -57.8 -52.4 13.0 80 82 A L H <>S+ 0 0 1 -4,-2.4 5,-2.4 1,-0.2 4,-0.4 0.917 114.7 47.9 -64.8 -41.6 -56.9 -55.0 10.4 81 83 A D H ><5S+ 0 0 76 -4,-3.2 3,-1.4 1,-0.2 -1,-0.2 0.929 110.3 52.0 -62.7 -45.0 -58.4 -57.8 12.5 82 84 A A H 3<5S+ 0 0 59 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.774 111.0 48.0 -64.6 -28.7 -61.6 -55.8 13.1 83 85 A L T 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.437 115.1-118.6 -84.7 -5.5 -61.9 -55.3 9.3 84 86 A G T < 5 + 0 0 62 -3,-1.4 2,-0.6 -4,-0.4 -3,-0.2 0.793 60.3 151.7 74.2 29.6 -61.3 -59.0 8.6 85 87 A I < + 0 0 8 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.848 14.5 160.3 -97.7 121.4 -58.1 -58.4 6.6 86 88 A D + 0 0 131 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.313 70.0 40.4-117.7 1.8 -55.6 -61.3 6.7 87 89 A C S S+ 0 0 72 2,-0.1 -69,-0.4 24,-0.0 2,-0.3 -0.922 71.0 133.5-152.9 125.5 -53.7 -60.4 3.6 88 90 A C E - 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0 0 0 -2,-0.7 -7,-0.2 2,-0.2 -1,-0.1 0.634 58.3-108.2 -99.7 -23.8 -28.1 -42.3 11.4 132 134 A G S S+ 0 0 23 1,-0.2 2,-0.3 86,-0.1 -8,-0.2 0.223 86.5 76.3 117.4 -9.9 -27.8 -38.6 10.5 133 135 A F B -g 124 0B 21 -10,-1.6 -8,-2.4 84,-0.1 2,-0.3 -0.980 59.9-144.7-139.0 140.2 -28.0 -37.0 14.0 134 136 A E > - 0 0 102 -2,-0.3 4,-1.9 -10,-0.2 3,-0.3 -0.681 35.3-114.0 -93.1 157.2 -25.9 -36.5 17.1 135 137 A Q H > S+ 0 0 86 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.862 118.1 56.8 -58.6 -39.9 -27.5 -36.6 20.6 136 138 A G H > S+ 0 0 46 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.874 105.0 50.1 -55.7 -44.2 -26.7 -32.9 21.0 137 139 A E H >> S+ 0 0 89 -3,-0.3 4,-1.6 1,-0.2 3,-0.5 0.946 111.4 48.8 -61.2 -50.1 -28.6 -32.0 17.8 138 140 A I H 3X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.3 -2,-0.2 0.860 106.3 55.9 -59.4 -42.2 -31.7 -34.0 18.9 139 141 A E H 3X S+ 0 0 93 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.828 106.5 52.2 -59.5 -33.8 -31.6 -32.3 22.3 140 142 A K H S+ 0 0 27 -3,-0.3 4,-3.2 1,-0.2 5,-0.2 0.917 87.6 49.5 -56.4 -51.5 -43.7 -24.9 19.4 150 152 A E H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.871 112.0 48.2 -55.9 -45.6 -44.9 -22.6 16.7 151 153 A A H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 112.4 50.8 -65.0 -36.9 -41.4 -21.3 16.0 152 154 A W H X S+ 0 0 24 -4,-2.7 4,-2.5 -8,-0.3 5,-0.2 0.961 111.3 46.6 -64.6 -49.1 -40.2 -24.9 15.9 153 155 A V H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 -2,-0.2 0.955 110.2 54.3 -53.2 -51.6 -43.0 -25.9 13.4 154 156 A N H < S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.816 116.7 36.3 -55.5 -36.8 -42.3 -22.9 11.2 155 157 A G H X S+ 0 0 42 -4,-1.8 4,-0.6 -3,-0.2 -1,-0.2 0.724 120.2 48.3 -84.3 -25.8 -38.6 -23.8 10.9 156 158 A F H X S+ 0 0 36 -4,-2.5 4,-2.6 -5,-0.2 3,-0.5 0.909 99.7 62.6 -82.7 -43.0 -39.1 -27.6 10.8 157 159 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.3 5,-0.3 0.893 104.7 47.4 -53.8 -47.6 -41.9 -27.8 8.2 158 160 A P H > S+ 0 0 55 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.821 112.0 49.7 -62.8 -36.3 -39.8 -26.3 5.3 159 161 A L H < S+ 0 0 117 -4,-0.6 57,-0.4 -3,-0.5 85,-0.3 0.928 113.9 46.8 -67.0 -44.1 -36.8 -28.6 6.1 160 162 A A H < S+ 0 0 0 -4,-2.6 84,-2.8 1,-0.2 85,-0.5 0.952 116.1 41.3 -62.5 -53.5 -39.1 -31.7 6.1 161 163 A V H < S+ 0 0 0 -4,-2.7 2,-2.2 -5,-0.2 84,-0.4 0.955 87.6 176.1 -60.2 -43.9 -40.9 -30.9 2.9 162 164 A G < + 0 0 28 -4,-2.1 81,-0.2 -5,-0.3 -1,-0.2 -0.416 44.9 85.5 81.4 -68.1 -37.5 -29.9 1.6 163 165 A A S S- 0 0 22 -2,-2.2 2,-2.1 79,-0.7 81,-0.0 -0.299 99.7 -95.2 -60.5 150.6 -38.5 -29.1 -2.0 164 166 A D S S+ 0 0 152 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 -0.482 76.9 132.1 -72.7 80.8 -39.8 -25.6 -2.7 165 167 A V >> - 0 0 48 -2,-2.1 4,-1.8 1,-0.1 3,-1.1 -0.742 30.5-178.5-130.0 82.1 -43.5 -26.4 -2.4 166 168 A P H 3> S+ 0 0 71 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.813 80.5 56.2 -58.1 -32.9 -44.9 -23.7 -0.1 167 169 A A H 3> S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.826 107.6 49.4 -69.2 -30.0 -48.4 -25.1 -0.2 168 170 A A H <> S+ 0 0 1 -3,-1.1 4,-3.3 2,-0.2 5,-0.2 0.871 108.7 53.4 -70.5 -40.8 -47.1 -28.5 1.1 169 171 A V H X S+ 0 0 29 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.930 109.8 48.0 -55.3 -48.1 -45.2 -26.6 3.8 170 172 A R H X S+ 0 0 169 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.918 113.1 48.0 -61.8 -41.3 -48.5 -25.0 4.8 171 173 A E H X S+ 0 0 51 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.940 114.1 45.2 -66.0 -46.2 -50.3 -28.3 4.8 172 174 A F H X S+ 0 0 2 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.928 112.1 53.9 -64.0 -40.9 -47.6 -30.1 6.8 173 175 A S H X S+ 0 0 12 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.894 106.7 51.2 -57.4 -43.0 -47.5 -27.1 9.3 174 176 A R H X S+ 0 0 107 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.938 109.3 48.4 -68.6 -41.5 -51.3 -27.3 9.9 175 177 A T H X S+ 0 0 7 -4,-2.1 4,-0.7 1,-0.2 -121,-0.3 0.861 112.3 51.2 -65.3 -30.7 -51.2 -31.0 10.7 176 178 A L H < S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.865 110.2 49.1 -69.8 -34.8 -48.2 -30.2 13.0 177 179 A F H < S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.720 102.2 61.9 -74.9 -21.5 -50.3 -27.4 14.7 178 180 A N H < S+ 0 0 86 -4,-1.5 2,-0.2 -5,-0.2 -1,-0.2 0.746 90.8 84.9 -75.3 -23.3 -53.3 -29.7 15.1 179 181 A M S < S- 0 0 5 -4,-0.7 -125,-0.1 -3,-0.4 -126,-0.1 -0.548 91.8-112.9 -77.0 141.2 -51.2 -31.9 17.4 180 182 A R >> - 0 0 106 -2,-0.2 4,-2.5 -128,-0.2 3,-1.0 -0.638 23.9-131.8 -75.9 127.8 -50.9 -31.0 21.1 181 183 A P H 3> S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.831 106.8 61.9 -52.6 -41.4 -47.2 -29.9 21.6 182 184 A D H 3> S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.903 109.4 38.6 -33.7 -60.7 -47.1 -32.1 24.6 183 185 A I H <> S+ 0 0 6 -3,-1.0 4,-3.0 2,-0.2 5,-0.3 0.903 111.3 58.5 -71.9 -42.7 -47.8 -35.2 22.5 184 186 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.896 110.4 44.0 -53.9 -42.1 -45.6 -34.0 19.6 185 187 A L H X S+ 0 0 18 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.918 114.1 48.3 -68.6 -47.5 -42.6 -33.9 22.0 186 188 A F H X S+ 0 0 59 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.887 114.2 46.3 -63.2 -42.7 -43.3 -37.2 23.7 187 189 A V H X S+ 0 0 4 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.894 108.9 55.1 -68.1 -40.8 -43.7 -38.9 20.4 188 190 A S H X S+ 0 0 4 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.895 108.2 50.2 -56.9 -39.3 -40.5 -37.3 19.0 189 191 A R H X S+ 0 0 107 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.892 110.1 50.4 -63.6 -42.6 -38.7 -38.8 22.1 190 192 A T H < S+ 0 0 20 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.910 116.2 41.4 -58.6 -46.2 -40.2 -42.2 21.3 191 193 A V H >< S+ 0 0 17 -4,-2.6 3,-1.1 1,-0.2 -68,-0.3 0.918 114.6 48.6 -72.9 -46.6 -39.1 -42.0 17.7 192 194 A F H 3< S+ 0 0 29 -4,-2.9 -68,-0.3 1,-0.2 -69,-0.3 0.746 115.3 44.8 -68.5 -23.1 -35.6 -40.5 18.2 193 195 A N T 3< S+ 0 0 79 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.271 88.9 109.3-110.5 14.6 -34.7 -43.0 20.8 194 196 A S < - 0 0 23 -3,-1.1 -71,-0.4 -4,-0.1 2,-0.3 -0.474 47.8-164.9 -79.4 155.2 -36.0 -46.1 19.0 195 197 A D + 0 0 74 -2,-0.1 3,-0.3 -73,-0.1 -73,-0.2 -0.789 19.2 164.1-146.3 100.2 -33.5 -48.6 17.7 196 198 A M >> + 0 0 13 -75,-2.9 3,-1.0 -2,-0.3 4,-0.8 0.327 48.1 104.2 -97.2 5.5 -34.9 -51.2 15.2 197 199 A R G >4 S+ 0 0 52 -76,-0.5 3,-0.8 1,-0.3 4,-0.4 0.899 75.6 54.3 -61.0 -41.7 -31.6 -52.3 13.9 198 200 A G G 34 S+ 0 0 76 -3,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.709 110.4 45.7 -67.1 -22.0 -31.5 -55.6 15.8 199 201 A V G X> S+ 0 0 47 -3,-1.0 3,-2.0 1,-0.1 4,-0.5 0.539 82.9 93.3 -99.5 -6.4 -34.9 -56.8 14.5 200 202 A L G X< S+ 0 0 0 -4,-0.8 31,-1.8 -3,-0.8 3,-1.4 0.869 81.8 57.3 -56.7 -39.3 -34.6 -56.0 10.8 201 203 A G G 34 S+ 0 0 37 -4,-0.4 -1,-0.3 29,-0.3 -2,-0.1 0.604 93.7 68.7 -68.4 -12.2 -33.3 -59.5 9.9 202 204 A L G <4 S+ 0 0 97 -3,-2.0 -1,-0.2 2,-0.0 2,-0.2 0.703 77.8 96.7 -80.5 -18.7 -36.5 -61.1 11.3 203 205 A V << + 0 0 0 -3,-1.4 28,-0.2 -4,-0.5 4,-0.1 -0.525 45.5 174.0 -68.7 133.2 -38.6 -59.6 8.5 204 206 A K + 0 0 146 -2,-0.2 29,-0.4 27,-0.2 -1,-0.1 0.502 46.9 94.0-118.5 -12.3 -39.1 -62.1 5.7 205 207 A V S S- 0 0 14 27,-0.2 27,-0.4 1,-0.1 2,-0.1 -0.417 89.0 -91.2 -78.0 153.4 -41.6 -60.4 3.4 206 208 A P - 0 0 46 0, 0.0 -92,-2.2 0, 0.0 2,-0.4 -0.476 43.5-156.3 -66.9 137.8 -40.2 -58.4 0.5 207 209 A C E -ef 114 234A 0 26,-1.6 28,-2.1 -94,-0.2 2,-0.6 -0.977 11.5-156.9-119.3 134.5 -39.6 -54.7 1.3 208 210 A H E -ef 115 235A 21 -94,-2.8 -92,-2.9 -2,-0.4 2,-0.8 -0.951 14.4-155.0-107.1 119.6 -39.4 -51.8 -1.2 209 211 A I E -ef 116 236A 2 26,-3.1 28,-3.1 -2,-0.6 2,-0.6 -0.860 5.2-162.5-104.8 103.9 -37.4 -49.0 0.4 210 212 A F E +ef 117 237A 1 -94,-3.3 -92,-1.9 -2,-0.8 2,-0.4 -0.814 15.0 176.7 -91.4 119.3 -38.4 -45.7 -1.1 211 213 A Q E - f 0 238A 4 26,-2.2 28,-2.0 -2,-0.6 30,-0.1 -0.991 15.4-149.7-130.9 125.0 -35.7 -43.1 -0.5 212 214 A T E - f 0 239A 6 -2,-0.4 3,-0.4 26,-0.2 2,-0.3 -0.379 29.7 -99.2 -85.1 167.0 -35.7 -39.5 -1.7 213 215 A A E S+ f 0 242A 38 28,-2.6 30,-1.7 26,-0.5 -1,-0.1 -0.649 104.9 10.0 -77.1 142.3 -32.7 -37.4 -2.5 214 216 A R S S+ 0 0 169 -2,-0.3 2,-0.7 28,-0.2 29,-0.5 0.946 74.8 177.1 50.5 62.0 -31.8 -35.1 0.4 215 217 A D B > -I 218 0D 12 3,-0.5 3,-0.9 -3,-0.4 -1,-0.2 -0.902 22.7-150.0 -92.5 115.0 -34.1 -36.4 3.1 216 218 A H T 3 S+ 0 0 70 -2,-0.7 -1,-0.1 -57,-0.4 -56,-0.1 0.700 95.8 38.7 -57.3 -24.2 -33.2 -34.3 6.2 217 219 A S T 3 S+ 0 0 9 1,-0.2 -1,-0.2 -57,-0.1 -84,-0.1 0.530 116.9 48.4-107.5 -9.2 -34.1 -37.2 8.5 218 220 A V B < S-I 215 0D 1 -3,-0.9 -3,-0.5 -86,-0.1 -1,-0.2 -0.854 70.7-149.0-139.5 97.3 -32.7 -40.2 6.5 219 221 A P >> - 0 0 30 0, 0.0 3,-2.1 0, 0.0 4,-0.8 -0.329 32.0-110.8 -57.7 147.5 -29.1 -40.2 5.0 220 222 A A H >> S+ 0 0 57 1,-0.3 4,-1.4 2,-0.2 3,-0.8 0.849 116.9 61.7 -44.8 -44.0 -28.8 -42.2 1.7 221 223 A S H 3> S+ 0 0 62 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.667 93.5 62.1 -66.4 -19.2 -26.7 -44.8 3.5 222 224 A V H <> S+ 0 0 0 -3,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.846 100.3 54.1 -74.2 -32.6 -29.6 -45.7 5.9 223 225 A A H > + 0 0 0 -85,-0.5 4,-2.3 -84,-0.4 3,-1.8 -0.548 53.9 158.7-124.9 62.9 -42.6 -36.0 2.4 246 248 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 8,-0.3 0.762 73.1 64.3 -62.5 -26.9 -42.9 -37.1 -1.3 247 249 A H H 34 S+ 0 0 0 1,-0.2 -213,-0.3 2,-0.2 -212,-0.1 0.773 114.2 35.3 -66.9 -20.5 -46.6 -38.0 -1.0 248 250 A L H <4 S+ 0 0 6 -3,-1.8 -1,-0.2 2,-0.1 -77,-0.1 0.814 126.7 35.7 -94.3 -34.9 -47.0 -34.2 -0.3 249 251 A S H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -7,-0.1 0.668 134.0 13.9-101.1 -21.9 -44.4 -32.7 -2.6 250 252 A A X + 0 0 27 -4,-2.3 4,-2.2 -5,-0.2 3,-0.3 -0.349 67.8 160.2-147.8 63.5 -44.3 -35.0 -5.7 251 253 A P H > S+ 0 0 24 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.806 71.5 56.5 -63.5 -30.0 -47.5 -37.1 -5.5 252 254 A T H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.916 111.0 41.7 -67.2 -48.0 -47.5 -38.0 -9.2 253 255 A L H > S+ 0 0 51 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.919 116.2 50.5 -67.4 -41.8 -44.0 -39.5 -9.3 254 256 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -8,-0.3 -2,-0.2 0.901 109.5 50.0 -59.9 -44.3 -44.6 -41.2 -5.9 255 257 A A H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.893 110.2 52.3 -61.5 -41.8 -47.9 -42.8 -7.2 256 258 A Q H X S+ 0 0 73 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.927 112.1 42.8 -61.3 -47.1 -46.1 -44.0 -10.3 257 259 A E H X S+ 0 0 30 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.877 113.2 53.5 -67.6 -38.7 -43.3 -45.8 -8.3 258 260 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.914 107.3 51.6 -57.3 -47.9 -45.8 -47.1 -5.8 259 261 A R H X S+ 0 0 133 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.925 111.8 46.6 -55.7 -48.8 -47.9 -48.6 -8.7 260 262 A R H < S+ 0 0 129 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.925 111.9 50.1 -60.0 -44.3 -44.8 -50.3 -10.1 261 263 A A H < S+ 0 0 5 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.901 111.3 48.8 -61.4 -42.2 -43.7 -51.6 -6.7 262 264 A L H < 0 0 18 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.714 360.0 360.0 -73.0 -21.9 -47.2 -53.1 -6.0 263 265 A S < 0 0 126 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.448 360.0 360.0 -66.5 360.0 -47.1 -54.7 -9.5