==== 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 ENDONUCLEASE 28-MAY-97 1AK0 . COMPND 2 MOLECULE: P1 NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM CITRINUM; . AUTHOR C.ROMIER,D.SUCK . 264 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 6 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 47.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 0 2 1 1 0 0 1 1 0 1 0 0 2 1 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 W 0 0 2 0, 0.0 153,-0.2 0, 0.0 152,-0.2 0.000 360.0 360.0 360.0 156.4 14.3 25.3 12.1 2 2 A G > - 0 0 10 151,-2.3 4,-2.1 150,-0.2 5,-0.2 -0.047 360.0 -64.2 -87.7-163.6 10.8 25.2 10.7 3 3 A A H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.872 130.8 48.8 -57.1 -51.3 8.1 27.9 11.2 4 4 A L H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 112.4 50.2 -57.2 -47.0 7.7 27.7 15.0 5 5 A G H > S+ 0 0 1 148,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.925 111.3 47.2 -59.5 -46.4 11.4 27.8 15.6 6 6 A H H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.896 112.4 47.7 -63.4 -42.0 12.0 30.9 13.3 7 7 A A H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.903 111.9 52.0 -65.4 -42.0 9.1 33.0 14.8 8 8 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.935 106.8 50.7 -60.8 -51.4 10.3 32.1 18.3 9 9 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.923 112.8 49.8 -52.5 -42.2 13.9 33.2 17.7 10 10 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.915 108.8 49.1 -65.0 -46.5 12.4 36.5 16.3 11 11 A Y H X S+ 0 0 27 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.898 110.8 51.6 -61.7 -39.2 10.1 37.1 19.3 12 12 A V H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 3,-0.3 0.930 111.0 48.6 -62.7 -44.0 13.1 36.5 21.7 13 13 A A H >X S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.9 0.899 103.9 59.5 -62.2 -43.1 15.1 39.0 19.7 14 14 A Q H 3< S+ 0 0 33 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.843 102.3 55.4 -54.5 -35.1 12.3 41.6 19.7 15 15 A H H 3< S+ 0 0 90 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.818 111.8 41.3 -67.9 -33.1 12.5 41.6 23.5 16 16 A Y H << S+ 0 0 45 -4,-0.9 2,-0.2 -3,-0.9 -1,-0.2 0.397 85.3 105.7 -99.8 -0.6 16.2 42.4 23.7 17 17 A V S < S- 0 0 17 -4,-0.9 241,-0.1 -3,-0.5 240,-0.1 -0.591 77.4-108.1 -79.6 143.3 16.7 45.1 21.0 18 18 A S > - 0 0 34 -2,-0.2 4,-2.2 239,-0.2 5,-0.2 -0.321 28.8-111.6 -66.2 156.3 17.1 48.6 22.2 19 19 A P H > S+ 0 0 105 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.854 119.6 48.9 -57.6 -36.3 14.2 51.0 21.7 20 20 A E H > S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.889 111.2 48.5 -66.3 -48.8 16.2 53.0 19.1 21 21 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.802 108.4 56.7 -60.0 -34.7 17.3 49.8 17.2 22 22 A A H X S+ 0 0 13 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.796 106.0 48.7 -75.2 -24.3 13.7 48.7 17.2 23 23 A S H X S+ 0 0 72 -4,-0.9 4,-1.5 -5,-0.2 -2,-0.2 0.883 110.1 50.3 -81.5 -36.6 12.6 51.8 15.5 24 24 A W H X S+ 0 0 61 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.891 113.3 47.3 -58.8 -42.2 15.4 51.6 12.8 25 25 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 6,-0.2 0.954 111.8 49.4 -69.0 -37.7 14.4 48.0 12.0 26 26 A Q H X>S+ 0 0 47 -4,-1.5 5,-1.1 2,-0.2 4,-0.5 0.801 112.8 48.4 -65.7 -35.2 10.7 48.8 11.9 27 27 A G H ><5S+ 0 0 57 -4,-1.5 3,-0.8 2,-0.2 -1,-0.2 0.949 112.8 47.1 -71.5 -48.5 11.5 51.7 9.6 28 28 A I H 3<5S+ 0 0 35 -4,-2.7 -2,-0.2 1,-0.2 80,-0.2 0.895 117.7 42.7 -58.6 -37.3 13.6 49.5 7.4 29 29 A L H 3<5S- 0 0 32 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.472 103.3-130.6 -87.2 -8.3 10.9 46.7 7.4 30 30 A G T <<5S+ 0 0 70 -3,-0.8 2,-0.4 -4,-0.5 -3,-0.2 0.743 74.0 104.5 65.0 21.7 8.1 49.2 6.9 31 31 A S < - 0 0 41 -5,-1.1 -2,-0.2 -6,-0.2 -1,-0.1 -0.985 44.9-177.1-139.5 130.3 6.1 47.6 9.8 32 32 A S + 0 0 98 -2,-0.4 -6,-0.1 -3,-0.1 4,-0.1 0.161 47.0 132.3-106.5 17.7 5.6 48.9 13.3 33 33 A S S > S- 0 0 39 1,-0.1 3,-1.7 -7,-0.1 4,-0.1 -0.126 73.2-111.2 -68.2 170.5 3.7 45.8 14.3 34 34 A S T 3 S+ 0 0 96 1,-0.3 4,-0.1 2,-0.1 3,-0.1 0.600 122.3 44.5 -74.9 -12.0 4.1 43.7 17.4 35 35 A S T 3> S+ 0 0 23 1,-0.1 4,-2.7 2,-0.1 -1,-0.3 -0.083 72.6 137.1-119.6 31.1 5.4 40.9 15.2 36 36 A Y T <4 S+ 0 0 14 -3,-1.7 4,-0.1 1,-0.2 -1,-0.1 0.829 84.1 23.2 -51.3 -37.2 7.6 43.2 13.1 37 37 A L T >4 S+ 0 0 0 -4,-0.1 3,-1.2 -3,-0.1 4,-0.4 0.860 121.3 56.7 -94.6 -42.1 10.5 40.6 13.1 38 38 A A G >4 S+ 0 0 6 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.838 99.1 59.7 -58.2 -38.6 8.5 37.4 13.7 39 39 A S G 3< S+ 0 0 63 -4,-2.7 -1,-0.3 1,-0.2 3,-0.2 0.692 113.4 36.8 -66.8 -20.1 6.2 37.8 10.8 40 40 A I G X S+ 0 0 36 -3,-1.2 3,-1.2 -5,-0.3 4,-0.4 0.290 83.5 105.9-115.5 11.5 9.1 37.8 8.3 41 41 A A T < S+ 0 0 1 -3,-1.1 3,-0.1 -4,-0.4 -2,-0.1 0.724 87.5 40.0 -63.8 -24.2 11.3 35.2 10.0 42 42 A S T >> S+ 0 0 26 -4,-0.3 4,-1.4 -3,-0.2 3,-1.2 0.346 82.5 105.0-106.4 5.6 10.4 32.5 7.5 43 43 A W H <> S+ 0 0 59 -3,-1.2 4,-2.6 1,-0.3 3,-0.3 0.888 75.0 58.8 -53.6 -43.7 10.5 34.7 4.3 44 44 A A H 3> S+ 0 0 0 -4,-0.4 4,-1.4 68,-0.3 -1,-0.3 0.768 103.9 52.0 -59.4 -28.6 13.9 33.3 3.2 45 45 A D H <> S+ 0 0 29 -3,-1.2 4,-0.5 2,-0.2 -1,-0.2 0.895 110.4 47.3 -74.4 -37.7 12.4 29.8 3.1 46 46 A E H >< S+ 0 0 128 -4,-1.4 3,-1.0 -3,-0.3 -2,-0.2 0.906 109.6 55.8 -67.2 -38.8 9.5 30.9 0.9 47 47 A Y H >< S+ 0 0 46 -4,-2.6 3,-2.0 1,-0.3 6,-0.6 0.880 99.7 56.7 -62.8 -40.8 11.9 32.7 -1.3 48 48 A R H 3< S+ 0 0 78 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.703 95.6 68.3 -69.0 -12.5 14.0 29.7 -2.1 49 49 A L T << S+ 0 0 128 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.3 0.426 91.6 78.8 -83.2 2.4 10.9 28.0 -3.3 50 50 A T S <> S- 0 0 60 -3,-2.0 4,-1.9 1,-0.1 3,-0.1 -0.788 87.6-120.9-110.1 157.1 10.8 30.4 -6.3 51 51 A S T 4 S+ 0 0 117 -2,-0.3 4,-0.3 1,-0.2 3,-0.2 0.895 117.2 53.8 -60.2 -38.9 12.8 30.4 -9.5 52 52 A A T 4 S+ 0 0 65 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.879 116.4 38.6 -63.0 -35.9 14.0 33.8 -8.6 53 53 A G T >4 S+ 0 0 0 -6,-0.6 3,-2.7 1,-0.2 4,-0.3 0.621 81.8 99.2 -94.0 -11.7 15.2 32.5 -5.2 54 54 A K G >< S+ 0 0 128 -4,-1.9 3,-1.5 1,-0.3 4,-0.3 0.753 75.6 66.7 -44.9 -35.1 16.6 29.0 -6.0 55 55 A W G 3 S+ 0 0 140 -4,-0.3 3,-0.5 -3,-0.3 -1,-0.3 0.770 94.1 60.4 -59.1 -28.0 20.1 30.3 -6.0 56 56 A S G X S+ 0 0 0 -3,-2.7 3,-1.7 1,-0.2 4,-0.4 0.473 72.2 97.8 -82.8 -2.0 19.9 31.1 -2.2 57 57 A A G X S+ 0 0 39 -3,-1.5 3,-1.5 -4,-0.3 -1,-0.2 0.889 79.2 56.4 -54.8 -42.0 19.2 27.5 -1.0 58 58 A S G > S+ 0 0 21 -3,-0.5 3,-0.9 -4,-0.3 28,-0.3 0.625 91.9 72.3 -68.3 -12.1 22.9 26.9 -0.1 59 59 A L G < S+ 0 0 10 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.643 80.4 74.2 -77.6 -15.4 23.0 29.9 2.2 60 60 A H G < S+ 0 0 1 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.560 105.5 13.1 -76.5 -4.8 20.9 28.2 4.8 61 61 A F < - 0 0 65 -3,-0.9 25,-1.9 -4,-0.1 2,-0.4 -0.894 59.8-127.7-157.6 175.4 23.7 25.9 6.1 62 62 A I - 0 0 0 64,-2.3 2,-1.8 -2,-0.3 18,-0.1 -0.959 21.8-142.2-135.7 116.0 27.3 25.0 6.1 63 63 A D - 0 0 57 16,-0.6 2,-0.2 -2,-0.4 64,-0.1 -0.559 19.9-158.0 -79.1 79.6 28.2 21.4 5.3 64 64 A A - 0 0 0 -2,-1.8 65,-2.1 1,-0.1 2,-1.4 -0.392 8.4-144.2 -60.4 123.6 31.0 20.8 7.8 65 65 A E + 0 0 118 -2,-0.2 -1,-0.1 10,-0.2 2,-0.1 -0.523 53.5 124.0 -91.7 69.2 33.1 17.9 6.4 66 66 A D - 0 0 28 -2,-1.4 6,-0.2 7,-0.0 64,-0.1 -0.263 65.8-102.5-110.2-158.9 34.0 16.2 9.6 67 67 A N B >> -A 71 0A 100 4,-2.3 4,-2.6 -2,-0.1 3,-0.8 -0.549 45.3-133.7-134.8 71.7 33.6 12.7 11.1 68 68 A P T 34 S+ 0 0 11 0, 0.0 149,-0.1 0, 0.0 4,-0.0 -0.327 77.2 12.5 -68.3 150.2 30.7 12.4 13.6 69 69 A P T 34 S+ 0 0 47 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 -0.974 132.4 45.5 -91.4 3.1 30.4 11.2 16.3 70 70 A T T <4 S+ 0 0 116 -3,-0.8 2,-0.4 1,-0.3 147,-0.0 0.880 125.5 14.1 -67.8 -46.8 34.2 10.8 16.6 71 71 A N B < -A 67 0A 87 -4,-2.6 -4,-2.3 2,-0.0 2,-0.5 -0.940 61.6-177.6-141.1 117.8 35.3 14.2 15.4 72 72 A a + 0 0 28 -2,-0.4 2,-0.3 -3,-0.2 142,-0.1 -0.961 22.8 143.0-114.8 123.7 33.2 17.3 15.0 73 73 A N - 0 0 55 -2,-0.5 2,-0.4 140,-0.1 -2,-0.0 -0.984 34.6-142.8-159.5 152.0 34.7 20.5 13.6 74 74 A V - 0 0 20 -2,-0.3 2,-0.4 -10,-0.1 136,-0.1 -0.935 13.2-177.7-117.9 139.3 34.0 23.4 11.3 75 75 A D > - 0 0 70 -2,-0.4 4,-3.2 1,-0.2 5,-0.4 -0.898 18.2-149.6-140.4 113.0 36.5 25.1 8.9 76 76 A Y H > S+ 0 0 79 -2,-0.4 4,-2.4 1,-0.2 5,-0.3 0.868 95.7 38.1 -48.1 -55.5 35.4 28.1 6.9 77 77 A E H 4 S+ 0 0 176 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.861 119.9 47.3 -70.6 -32.4 37.6 27.6 3.8 78 78 A R H 4 S+ 0 0 105 1,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.920 125.0 27.6 -72.1 -41.6 37.3 23.8 3.8 79 79 A D H < S+ 0 0 10 -4,-3.2 -16,-0.6 1,-0.1 -2,-0.2 0.694 98.7 74.9 -98.8 -22.1 33.5 23.8 4.3 80 80 A b S < S- 0 0 18 -4,-2.4 3,-0.2 -5,-0.4 -17,-0.2 0.924 78.4-164.8 -62.3 -51.5 31.8 26.9 2.9 81 81 A G > - 0 0 52 -4,-0.4 3,-1.3 -5,-0.3 -2,-0.1 0.050 32.2 -61.2 91.3 171.1 32.0 26.0 -0.8 82 82 A S T 3 S+ 0 0 139 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.685 126.3 47.6 -64.6 -31.4 31.7 27.7 -4.2 83 83 A S T 3 S- 0 0 90 1,-0.3 -1,-0.3 -3,-0.2 -25,-0.1 0.245 114.8-104.8-100.0 17.2 28.1 28.7 -4.0 84 84 A G < - 0 0 16 -3,-1.3 -1,-0.3 -25,-0.0 2,-0.3 0.016 31.3-140.3 84.0 165.3 28.3 30.3 -0.5 85 85 A b > - 0 0 2 -26,-0.1 4,-2.4 -3,-0.1 -23,-0.2 -0.879 40.7 -76.3-152.8 178.5 27.1 29.1 2.9 86 86 A S H > S+ 0 0 1 -25,-1.9 4,-1.7 -28,-0.3 5,-0.2 0.872 126.0 53.0 -54.8 -39.4 25.5 30.6 6.1 87 87 A I H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.941 110.8 43.8 -64.3 -48.8 28.8 32.1 7.2 88 88 A S H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.861 111.7 56.0 -67.1 -31.1 29.5 34.0 4.0 89 89 A A H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.851 103.4 53.5 -68.8 -33.5 25.8 35.1 3.9 90 90 A I H X S+ 0 0 0 -4,-1.7 4,-1.6 -3,-0.3 5,-0.2 0.912 111.9 45.9 -65.6 -41.4 26.1 36.6 7.4 91 91 A A H X S+ 0 0 23 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.943 112.3 51.2 -65.7 -45.6 29.1 38.7 6.2 92 92 A N H X S+ 0 0 73 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.957 117.0 36.5 -57.3 -56.1 27.3 39.7 2.9 93 93 A Y H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.680 108.2 61.5 -77.1 -17.9 24.1 41.0 4.5 94 94 A T H X S+ 0 0 9 -4,-1.6 4,-0.8 -5,-0.2 -1,-0.2 0.942 111.8 43.5 -70.0 -39.4 25.6 42.5 7.6 95 95 A Q H < S+ 0 0 107 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.858 112.8 52.2 -70.4 -37.3 27.4 44.8 5.3 96 96 A R H >< S+ 0 0 55 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.755 98.4 61.0 -73.5 -30.4 24.4 45.4 3.0 97 97 A V H 3< S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.865 114.2 37.7 -63.8 -33.8 21.9 46.5 5.6 98 98 A S T 3< S+ 0 0 79 -4,-0.8 2,-0.7 -3,-0.2 -1,-0.2 0.094 85.3 117.9-105.8 18.5 24.1 49.4 6.5 99 99 A D X - 0 0 47 -3,-1.0 3,-1.0 1,-0.1 8,-0.1 -0.808 50.5-158.2 -87.2 118.7 25.4 50.3 3.1 100 100 A S T 3 S+ 0 0 126 -2,-0.7 -1,-0.1 1,-0.2 -4,-0.0 0.713 87.7 60.6 -64.6 -25.8 24.2 53.9 2.2 101 101 A S T 3 S+ 0 0 116 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.532 92.1 85.2 -74.1 -19.6 24.6 53.3 -1.7 102 102 A L S < S- 0 0 41 -3,-1.0 2,-0.1 -6,-0.1 5,-0.0 -0.532 83.9-101.5 -83.5 164.5 22.0 50.5 -1.7 103 103 A S >> - 0 0 56 -2,-0.2 4,-1.9 1,-0.1 3,-0.9 -0.320 27.6-108.0 -82.9 168.2 18.2 50.9 -1.9 104 104 A S H 3> S+ 0 0 83 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.947 121.5 46.7 -60.1 -51.9 15.6 50.7 0.9 105 105 A E H 3> S+ 0 0 144 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.648 105.8 58.9 -71.7 -5.6 14.3 47.4 -0.3 106 106 A N H <> S+ 0 0 47 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.831 108.6 47.8 -79.6 -38.2 17.9 46.1 -0.6 107 107 A H H X S+ 0 0 31 -4,-1.9 4,-2.4 -3,-0.3 -2,-0.2 0.934 109.9 51.1 -64.7 -46.5 18.1 46.9 3.1 108 108 A A H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.906 110.2 50.0 -59.9 -41.0 14.8 45.2 3.9 109 109 A E H X S+ 0 0 42 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.952 110.4 49.6 -63.1 -47.3 16.0 42.1 2.0 110 110 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.892 112.1 47.3 -57.9 -42.7 19.3 42.0 4.0 111 111 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.929 110.5 51.7 -65.9 -46.6 17.5 42.4 7.4 112 112 A R H X S+ 0 0 53 -4,-2.4 4,-1.5 1,-0.2 -68,-0.3 0.899 111.5 48.7 -58.0 -38.4 15.0 39.7 6.5 113 113 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.911 110.6 50.0 -68.0 -42.7 17.9 37.4 5.6 114 114 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.915 106.1 55.3 -63.0 -42.7 19.8 38.1 8.8 115 115 A V H X S+ 0 0 1 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.908 115.8 40.4 -56.4 -40.2 16.7 37.4 10.9 116 116 A H H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 3,-0.2 0.917 114.5 46.1 -74.0 -53.4 16.5 34.0 9.3 117 117 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.777 104.5 60.3 -66.1 -31.7 20.1 32.8 9.0 118 118 A I H < S+ 0 0 2 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.871 112.2 42.8 -66.6 -29.3 21.1 33.8 12.6 119 119 A G H >< S+ 0 0 0 -4,-0.7 3,-1.8 -5,-0.3 4,-0.4 0.940 110.1 54.1 -77.5 -51.2 18.4 31.3 13.7 120 120 A D H >< S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.3 6,-0.2 0.854 98.6 65.8 -52.3 -38.6 19.2 28.5 11.1 121 121 A M T 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.738 93.9 58.6 -59.6 -22.9 22.8 28.5 12.3 122 122 A T T < S+ 0 0 0 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.605 80.4 93.8 -84.1 -11.0 21.9 27.2 15.8 123 123 A Q S X S- 0 0 0 -3,-1.6 3,-2.3 -4,-0.4 4,-0.1 -0.747 75.3-144.2 -81.3 113.8 20.2 24.0 14.4 124 124 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.800 95.5 58.8 -49.2 -39.5 23.1 21.5 14.6 125 125 A L G > S+ 0 0 6 1,-0.3 3,-0.7 2,-0.1 10,-0.1 0.587 95.2 66.7 -72.2 -8.2 22.2 19.6 11.4 126 126 A H G < S+ 0 0 10 -3,-2.3 -64,-2.3 -6,-0.2 -1,-0.3 0.384 101.8 49.1 -87.2 2.1 22.5 23.0 9.6 127 127 A D G < S+ 0 0 0 -3,-1.8 2,-0.3 -66,-0.2 -1,-0.2 -0.159 101.2 77.0-131.3 37.8 26.3 22.8 10.4 128 128 A E < - 0 0 3 -3,-0.7 5,-0.3 1,-0.1 -63,-0.1 -0.976 55.8-157.6-154.9 133.5 27.0 19.3 9.3 129 129 A A >> + 0 0 18 -65,-2.1 3,-1.4 -2,-0.3 4,-1.3 0.888 54.6 121.0 -76.1 -38.4 27.5 17.4 5.9 130 130 A Y H 3> S- 0 0 102 -66,-0.4 4,-2.3 1,-0.3 5,-0.2 0.134 90.5 -10.6 -37.7 125.4 26.6 13.9 7.1 131 131 A A H 34>S- 0 0 27 1,-0.2 5,-2.7 2,-0.2 6,-0.3 0.820 130.5 -56.7 49.9 39.1 23.7 12.2 5.2 132 132 A V H X45S- 0 0 80 -3,-1.4 3,-2.1 1,-0.2 -2,-0.2 0.987 110.1 -41.9 57.9 60.3 22.9 15.6 3.6 133 133 A G H 3<5S- 0 0 4 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.829 112.5 -57.1 58.7 30.4 22.5 17.4 7.0 134 134 A G T ><5S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.2 15,-1.0 0.406 110.0 120.2 82.9 -4.2 20.6 14.3 8.3 135 135 A N T < 5S+ 0 0 75 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.825 74.1 53.4 -62.2 -29.8 17.9 14.4 5.6 136 136 A K T 3 S-B 144 0B 6 3,-2.3 3,-2.2 -2,-0.5 91,-0.1 -0.972 70.3 -21.6-129.0 117.2 9.1 9.5 15.6 142 142 A D T 3 S- 0 0 60 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.821 128.3 -50.6 59.8 30.4 5.9 9.3 17.5 143 143 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.3 91,-0.1 2,-0.2 0.261 116.1 111.1 92.3 -11.5 4.7 6.7 15.0 144 144 A Y E < S-B 141 0B 157 -3,-2.2 -3,-2.3 1,-0.0 2,-1.0 -0.617 70.7-121.0 -99.9 156.8 5.5 8.7 11.9 145 145 A H E +B 140 0B 163 -2,-0.2 -5,-0.2 -5,-0.2 2,-0.2 -0.821 53.8 145.9 -97.0 95.8 8.1 8.1 9.2 146 146 A D E -B 139 0B 26 -7,-1.5 -7,-2.2 -2,-1.0 2,-0.3 -0.376 44.9-114.8-112.6-169.6 10.3 11.2 9.3 147 147 A N E > -B 138 0B 39 -9,-0.3 4,-1.6 -2,-0.2 3,-0.3 -0.917 32.5-106.3-127.1 157.2 13.9 11.9 8.8 148 148 A L H > S+ 0 0 0 -11,-2.4 4,-2.0 -14,-0.5 5,-0.2 0.885 116.2 54.2 -50.8 -44.8 16.4 13.2 11.4 149 149 A H H > S+ 0 0 19 -15,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.901 107.9 46.0 -58.6 -49.5 16.5 16.7 9.9 150 150 A S H >>S+ 0 0 26 -3,-0.3 4,-2.3 2,-0.2 5,-1.9 0.766 108.7 57.8 -67.6 -25.6 12.8 17.3 9.9 151 151 A D H <>S+ 0 0 0 -4,-1.6 5,-2.7 3,-0.2 -2,-0.2 0.936 112.3 40.4 -69.4 -42.2 12.5 16.0 13.5 152 152 A W H <5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -150,-0.2 0.901 121.3 42.7 -72.0 -41.0 15.0 18.6 14.6 153 153 A D H <5S- 0 0 26 -4,-2.7 -151,-2.3 -5,-0.2 -148,-0.4 0.939 137.9 -11.0 -68.1 -47.9 13.6 21.5 12.4 154 154 A T T X5S+ 0 0 34 -4,-2.3 4,-2.3 -5,-0.2 -3,-0.2 0.803 119.1 54.9-122.1 -58.8 9.9 20.8 13.0 155 155 A Y H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.914 114.6 46.0 -59.3 -41.9 9.7 21.5 18.5 158 158 A Q H X S+ 0 0 50 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.798 107.3 57.9 -71.6 -24.8 6.0 21.2 17.7 159 159 A K H < S+ 0 0 77 -4,-1.3 -1,-0.2 -5,-0.2 -3,-0.1 0.930 110.8 44.2 -68.0 -42.4 5.7 18.1 20.0 160 160 A L H < S+ 0 0 58 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.939 127.3 26.4 -63.8 -52.3 6.9 20.3 22.8 161 161 A I H < S- 0 0 44 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.758 95.1-129.8 -86.8 -35.1 4.8 23.4 22.1 162 162 A G S < S+ 0 0 64 -4,-2.4 2,-0.3 -5,-0.3 -4,-0.1 0.551 71.3 20.9 97.4 9.2 1.7 22.0 20.3 163 163 A G - 0 0 18 -6,-0.2 -2,-0.1 2,-0.1 -1,-0.1 -0.954 61.3-126.1 174.0 171.8 1.4 24.2 17.2 164 164 A H + 0 0 115 -2,-0.3 2,-0.1 4,-0.1 -157,-0.1 0.120 60.8 124.0-127.3 20.3 3.2 26.5 14.8 165 165 A A S >> S- 0 0 48 1,-0.1 4,-1.9 -158,-0.0 3,-0.9 -0.408 76.7-106.6 -75.5 161.5 1.0 29.6 14.8 166 166 A L H 3> S+ 0 0 71 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.852 122.3 58.9 -58.1 -32.5 2.5 33.0 15.7 167 167 A S H 3> S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.859 104.0 50.7 -65.9 -32.6 0.7 32.8 19.0 168 168 A D H <> S+ 0 0 41 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.910 111.4 47.2 -70.3 -41.2 2.5 29.5 19.8 169 169 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.910 109.0 55.9 -67.3 -37.6 5.8 31.1 19.0 170 170 A E H X S+ 0 0 107 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.928 109.5 45.0 -61.5 -43.0 4.9 34.1 21.1 171 171 A S H X S+ 0 0 64 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.849 112.1 51.1 -71.1 -33.3 4.2 31.9 24.2 172 172 A W H X S+ 0 0 2 -4,-1.9 4,-2.1 1,-0.2 3,-0.4 0.950 108.9 51.8 -67.6 -43.8 7.4 29.8 23.8 173 173 A A H X S+ 0 0 5 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.867 103.6 60.1 -59.6 -35.7 9.4 33.0 23.5 174 174 A K H X S+ 0 0 117 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.911 107.3 43.3 -59.9 -44.1 7.9 34.3 26.8 175 175 A T H X S+ 0 0 59 -4,-1.4 4,-2.2 -3,-0.4 -1,-0.2 0.901 113.8 51.8 -70.4 -38.0 9.2 31.3 28.8 176 176 A L H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.922 109.6 49.1 -63.9 -44.6 12.6 31.6 27.1 177 177 A V H >X S+ 0 0 3 -4,-2.9 4,-2.7 2,-0.2 3,-0.6 0.951 108.4 54.2 -60.0 -46.4 12.8 35.3 27.9 178 178 A Q H 3X S+ 0 0 120 -4,-2.3 4,-3.0 1,-0.3 -2,-0.2 0.926 109.5 48.9 -53.0 -46.8 11.8 34.5 31.6 179 179 A N H 3X S+ 0 0 29 -4,-2.2 6,-2.0 1,-0.2 7,-1.2 0.775 111.9 47.0 -65.0 -31.8 14.7 32.0 31.7 180 180 A I H << S+ 0 0 7 -4,-1.5 3,-0.2 -3,-0.6 -1,-0.2 0.888 122.8 33.4 -77.7 -40.2 17.3 34.4 30.3 181 181 A E H < S+ 0 0 100 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.812 142.0 5.8 -83.8 -34.9 16.4 37.4 32.5 182 182 A S H < S+ 0 0 96 -4,-3.0 2,-0.3 -5,-0.4 -1,-0.2 -0.348 118.9 37.5-149.3 58.7 15.4 35.6 35.7 183 183 A G S >< S- 0 0 32 -4,-0.7 3,-0.9 -3,-0.2 4,-0.4 -0.838 101.3 -23.2-168.8-147.8 16.0 31.9 35.4 184 184 A N T 3 S+ 0 0 132 -2,-0.3 4,-0.2 1,-0.2 -4,-0.1 0.629 126.1 44.9 -63.0 -24.0 18.1 28.9 34.3 185 185 A Y T >> S+ 0 0 28 -6,-2.0 4,-2.7 -9,-0.1 3,-1.1 0.616 83.3 96.0 -97.6 -12.4 19.8 30.7 31.4 186 186 A T H <> S+ 0 0 65 -7,-1.2 4,-0.6 -3,-0.9 -2,-0.1 0.874 87.9 45.2 -44.3 -49.5 20.7 34.0 33.2 187 187 A A H 34 S+ 0 0 99 -4,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.800 119.1 42.9 -68.8 -27.0 24.2 32.9 34.1 188 188 A Q H X> S+ 0 0 87 -3,-1.1 3,-1.9 -4,-0.2 4,-0.7 0.783 90.1 84.8 -85.6 -39.9 24.9 31.5 30.6 189 189 A A H >X S+ 0 0 3 -4,-2.7 3,-1.2 1,-0.3 4,-0.6 0.798 84.7 55.8 -35.6 -49.3 23.4 34.2 28.4 190 190 A I H >X S+ 0 0 111 -4,-0.6 3,-0.7 1,-0.3 4,-0.5 0.813 102.7 57.7 -61.7 -30.1 26.4 36.5 28.3 191 191 A G H <4 S+ 0 0 48 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.746 93.1 68.2 -71.2 -23.0 28.6 33.7 27.0 192 192 A W H << S+ 0 0 16 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.775 114.6 26.4 -65.5 -29.8 26.3 33.3 23.9 193 193 A I H X< S+ 0 0 36 -3,-0.7 3,-1.9 -4,-0.6 -1,-0.2 0.352 85.1 136.9-116.0 5.9 27.4 36.7 22.5 194 194 A K T 3< S+ 0 0 146 -4,-0.5 3,-0.1 1,-0.3 -3,-0.1 -0.333 81.6 4.5 -60.9 118.2 30.8 37.0 24.1 195 195 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.3 -2,-0.2 9,-0.1 0.188 86.5 147.1 94.9 -17.0 33.1 38.3 21.4 196 196 A D < + 0 0 10 -3,-1.9 2,-0.4 8,-0.1 -1,-0.3 -0.311 20.7 174.6 -55.3 128.8 30.5 38.8 18.7 197 197 A N > - 0 0 69 3,-0.3 3,-2.6 -3,-0.1 7,-0.3 -0.946 34.0-148.2-144.7 118.1 31.6 41.8 16.6 198 198 A I T 3 S+ 0 0 48 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.696 101.3 62.9 -59.9 -17.6 29.9 43.1 13.5 199 199 A S T 3 S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.409 108.7 42.5 -87.0 7.3 33.3 44.2 12.2 200 200 A E <> + 0 0 93 -3,-2.6 4,-2.6 1,-0.1 -3,-0.3 -0.315 68.9 154.9-145.6 55.3 34.4 40.6 12.2 201 201 A P H > S+ 0 0 27 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.788 72.0 51.1 -58.5 -33.7 31.4 38.7 10.8 202 202 A I H > S+ 0 0 51 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.966 113.9 42.7 -70.5 -49.6 33.4 35.7 9.5 203 203 A T H > S+ 0 0 73 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.915 118.1 47.8 -62.2 -41.0 35.2 35.0 12.8 204 204 A T H >X S+ 0 0 0 -4,-2.6 4,-1.8 -7,-0.3 3,-0.7 0.979 113.9 44.4 -64.2 -55.1 31.9 35.6 14.7 205 205 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.838 109.0 56.7 -60.5 -35.7 29.7 33.4 12.5 206 206 A T H 3X S+ 0 0 29 -4,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.863 106.0 53.3 -63.3 -32.1 32.3 30.6 12.4 207 207 A R H < S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 4,-0.4 0.893 112.5 57.6 -74.8 -38.9 26.2 24.2 17.1 213 213 A N H >X S+ 0 0 3 -4,-2.8 3,-1.6 1,-0.3 4,-0.7 0.845 96.4 63.5 -61.9 -33.0 28.4 21.7 15.2 214 214 A A H >X S+ 0 0 50 -4,-1.8 4,-1.1 1,-0.3 3,-0.5 0.840 93.5 63.2 -62.2 -30.6 29.8 20.3 18.5 215 215 A L H S+ 0 0 27 -3,-1.0 5,-2.6 -4,-0.5 4,-2.4 0.656 87.1 71.7 -69.3 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-11.2 15.7 1.2 15.1 231 231 A G S S- 0 0 44 -3,-0.3 -91,-0.6 -4,-0.1 2,-0.3 -0.756 94.9 -68.7-143.1-169.5 12.9 2.1 17.5 232 232 A D B -c 140 0B 67 -2,-0.3 5,-0.2 2,-0.1 -91,-0.2 -0.683 39.4-138.8 -83.7 141.8 10.6 5.0 17.8 233 233 A L >> + 0 0 8 -93,-2.9 5,-2.1 -2,-0.3 4,-1.1 0.643 64.3 118.8 -76.3 -15.3 12.6 8.1 18.9 234 234 A Y T 45S- 0 0 91 -94,-0.2 -2,-0.1 1,-0.2 -91,-0.1 -0.867 77.4 -3.6 -97.6 138.9 9.8 9.1 21.3 235 235 A P T >5S+ 0 0 60 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.999 129.9 45.5 -98.0 -9.2 10.2 9.3 24.2 236 236 A T H >5S+ 0 0 115 -4,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.904 120.9 34.6 -60.1 -51.9 13.8 8.3 25.0 237 237 A Y H X5S+ 0 0 23 -4,-1.1 4,-0.8 -5,-0.2 -1,-0.2 0.925 119.1 54.8 -68.2 -42.6 15.7 10.1 22.3 238 238 A Y H >> S+ 0 0 121 -4,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.845 107.2 51.1 -70.6 -34.0 16.6 20.7 26.4 244 244 A T H <> S+ 0 0 20 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.874 105.9 55.1 -70.1 -37.6 19.2 21.3 23.8 245 245 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.937 109.8 45.9 -62.7 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