==== 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 PHOSPHORYLASE 09-NOV-97 1OTP . COMPND 2 MOLECULE: THYMIDINE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.J.PUGMIRE,W.J.COOK,A.JASANOFF,M.R.WALTER,S.E.EALICK . 440 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.0 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 . 0 0.0 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 . 28 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 1 0 0 1 2 1 2 3 2 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 L 0 0 65 0, 0.0 2,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 154.3 25.3 33.1 12.5 2 2 A F + 0 0 150 1,-0.1 4,-0.1 4,-0.0 23,-0.1 -0.304 360.0 58.9-100.6-176.5 27.9 33.1 9.7 3 3 A L >> - 0 0 85 1,-0.1 3,-1.8 3,-0.1 4,-1.4 0.982 55.3-152.6 55.8 89.3 28.0 34.6 6.2 4 4 A A H 3> S+ 0 0 7 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.677 95.9 60.4 -61.0 -19.0 27.5 38.3 6.3 5 5 A Q H 3> S+ 0 0 101 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.680 106.3 45.1 -83.1 -17.6 26.1 38.0 2.8 6 6 A E H <> S+ 0 0 97 -3,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.666 106.6 58.5 -94.2 -22.9 23.3 35.7 3.9 7 7 A I H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.887 107.7 49.4 -69.2 -38.0 22.6 37.9 7.0 8 8 A I H X S+ 0 0 23 -4,-1.1 4,-3.2 1,-0.2 5,-0.2 0.954 108.4 51.6 -63.7 -50.6 21.9 40.6 4.4 9 9 A R H X S+ 0 0 107 -4,-1.1 4,-1.9 2,-0.2 6,-0.3 0.889 107.3 54.8 -52.5 -45.7 19.7 38.3 2.4 10 10 A K H <>S+ 0 0 67 -4,-2.1 5,-1.9 1,-0.2 3,-0.4 0.960 115.2 36.3 -54.8 -57.7 17.7 37.5 5.5 11 11 A K H ><5S+ 0 0 6 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.876 112.4 60.5 -64.3 -40.7 16.9 41.1 6.4 12 12 A R H 3<5S+ 0 0 121 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.821 99.5 56.7 -56.7 -35.3 16.5 42.1 2.7 13 13 A D T 3<5S- 0 0 88 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.310 128.5 -99.7 -80.4 8.8 13.7 39.6 2.4 14 14 A G T < 5S+ 0 0 44 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.2 0.507 82.6 134.0 86.3 3.5 11.9 41.4 5.2 15 15 A H < - 0 0 108 -5,-1.9 2,-0.3 -6,-0.3 -1,-0.3 -0.354 53.9-113.3 -81.6 167.8 13.0 38.9 7.8 16 16 A A - 0 0 48 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.774 20.2-124.7-106.1 150.6 14.4 39.8 11.2 17 17 A L - 0 0 12 -2,-0.3 2,-0.1 1,-0.0 -10,-0.0 -0.671 19.2-132.4 -94.1 142.9 17.9 39.2 12.6 18 18 A S > - 0 0 53 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.429 30.5-103.2 -85.0 165.6 18.6 37.4 15.8 19 19 A D H >> S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 3,-0.9 0.971 121.3 52.9 -51.9 -60.6 21.0 38.7 18.5 20 20 A E H 3> S+ 0 0 116 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.796 109.0 51.1 -44.7 -39.9 23.8 36.3 17.5 21 21 A E H 3> S+ 0 0 9 -3,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.877 113.6 42.5 -69.0 -41.1 23.5 37.5 13.9 22 22 A I H S+ 0 0 2 -4,-2.0 5,-1.6 1,-0.2 6,-1.5 0.826 103.9 52.6 -59.6 -31.8 32.9 41.8 11.8 29 29 A I H ><5S+ 0 0 1 -4,-1.3 3,-0.6 -3,-0.4 -1,-0.2 0.910 111.8 46.0 -68.0 -43.9 32.8 45.6 11.1 30 30 A R H 3<5S+ 0 0 87 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.966 115.8 43.5 -62.2 -55.7 35.2 46.2 14.0 31 31 A D T 3<5S- 0 0 91 -4,-3.0 -1,-0.2 1,-0.1 -2,-0.2 0.404 110.5-119.1 -74.0 2.5 37.6 43.4 13.2 32 32 A N T < 5S+ 0 0 117 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.687 81.2 122.6 64.8 21.5 37.5 44.3 9.4 33 33 A T < + 0 0 95 -5,-1.6 2,-0.4 -6,-0.3 -4,-0.2 0.459 63.8 64.9 -88.8 -3.5 36.2 40.8 8.6 34 34 A I S S- 0 0 2 -6,-1.5 -2,-0.1 -7,-0.1 -1,-0.1 -0.989 86.2-127.3-122.7 125.9 33.1 42.5 6.9 35 35 A S > - 0 0 58 -2,-0.4 4,-1.4 1,-0.1 3,-0.2 -0.214 19.8-112.6 -72.8 160.0 33.6 44.7 3.8 36 36 A E H > S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.863 118.8 54.0 -56.1 -39.1 32.4 48.2 3.2 37 37 A G H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 107.1 49.8 -64.7 -39.7 30.0 46.9 0.6 38 38 A Q H > S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.742 111.4 50.0 -70.2 -26.6 28.5 44.4 3.0 39 39 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.947 112.3 45.4 -75.2 -50.8 28.0 47.2 5.6 40 40 A A H X S+ 0 0 18 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.804 112.0 54.0 -61.7 -31.9 26.3 49.5 3.1 41 41 A A H X S+ 0 0 38 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.936 110.6 43.5 -69.3 -47.9 24.1 46.7 1.8 42 42 A L H X S+ 0 0 8 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.904 114.1 53.7 -62.5 -41.0 22.8 45.7 5.3 43 43 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.895 106.5 49.9 -60.6 -43.9 22.4 49.4 6.0 44 44 A M H X S+ 0 0 68 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.822 110.8 51.1 -66.9 -29.9 20.3 50.0 2.9 45 45 A T H X S+ 0 0 15 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.864 108.3 50.2 -73.2 -40.5 18.1 47.1 3.9 46 46 A I H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.770 106.6 58.0 -68.8 -26.5 17.6 48.4 7.4 47 47 A F H < S+ 0 0 77 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.924 115.1 34.7 -69.4 -45.8 16.6 51.7 5.8 48 48 A F H < S+ 0 0 150 -4,-1.5 -2,-0.2 1,-0.1 -3,-0.1 0.992 130.9 30.0 -71.8 -60.2 13.8 50.1 3.8 49 49 A H H < S- 0 0 94 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.625 91.6-156.1 -75.3 -20.0 12.7 47.4 6.3 50 50 A D < - 0 0 63 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.057 23.8 -85.5 67.4-176.0 13.5 49.1 9.6 51 51 A M - 0 0 8 -4,-0.1 -1,-0.1 -35,-0.1 -35,-0.1 -0.989 28.2-123.7-134.3 141.9 14.1 47.1 12.8 52 52 A T >> - 0 0 71 -2,-0.4 4,-2.6 1,-0.1 3,-0.5 -0.214 41.6 -96.1 -71.8 170.1 11.8 45.7 15.5 53 53 A M H 3> S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.948 125.3 48.4 -56.7 -51.4 12.3 46.6 19.1 54 54 A P H 3> S+ 0 0 89 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.748 114.3 48.1 -62.3 -22.2 14.3 43.5 20.0 55 55 A E H <> S+ 0 0 6 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.841 109.8 51.9 -81.6 -38.9 16.5 44.1 16.9 56 56 A R H X S+ 0 0 34 -4,-2.6 4,-1.7 2,-0.2 -3,-0.2 0.909 111.3 47.3 -63.3 -41.2 16.9 47.8 17.8 57 57 A V H X S+ 0 0 18 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.953 111.5 50.8 -64.7 -48.8 18.0 46.8 21.3 58 58 A S H X S+ 0 0 15 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.814 107.1 53.5 -58.9 -36.4 20.5 44.2 19.9 59 59 A L H X S+ 0 0 3 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.944 111.7 45.1 -66.6 -44.9 22.0 46.6 17.5 60 60 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.908 117.6 43.2 -64.2 -44.5 22.8 49.1 20.3 61 61 A M H X S+ 0 0 41 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.803 109.5 57.2 -73.3 -28.6 24.1 46.5 22.7 62 62 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.891 114.6 39.9 -67.3 -37.3 26.1 44.8 19.9 63 63 A M H X S+ 0 0 2 -4,-1.8 4,-0.6 2,-0.2 100,-0.4 0.879 112.3 52.5 -77.5 -44.9 27.8 48.2 19.3 64 64 A R H >< S+ 0 0 41 -4,-2.7 3,-0.8 1,-0.2 97,-0.5 0.917 113.8 47.1 -57.7 -41.3 28.2 49.2 23.0 65 65 A D H 3< S+ 0 0 52 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.716 91.5 78.0 -73.8 -22.0 29.8 45.8 23.5 66 66 A S H 3< S+ 0 0 8 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.801 111.6 16.7 -58.4 -25.8 32.1 46.1 20.5 67 67 A G S << S- 0 0 29 -3,-0.8 2,-0.3 -4,-0.6 93,-0.3 0.184 114.3 -32.5-114.5-129.6 34.3 48.3 22.6 68 68 A T - 0 0 52 91,-2.3 2,-0.4 -2,-0.0 93,-0.3 -0.715 39.3-167.2-101.5 150.2 34.6 49.1 26.3 69 69 A V - 0 0 65 -2,-0.3 125,-0.2 125,-0.1 124,-0.1 -0.923 21.4-136.6-138.8 107.0 31.8 49.1 28.9 70 70 A L - 0 0 28 123,-2.4 2,-0.4 -2,-0.4 -2,-0.0 -0.309 14.5-157.2 -65.1 147.7 32.7 50.7 32.3 71 71 A D - 0 0 110 1,-0.1 3,-0.2 -2,-0.0 4,-0.1 -0.991 17.1-176.7-132.5 128.5 31.7 49.1 35.5 72 72 A W > + 0 0 21 -2,-0.4 5,-0.8 123,-0.2 4,-0.4 0.180 59.1 101.9-107.7 16.1 31.3 50.9 38.9 73 73 A K T > 5S+ 0 0 142 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.900 82.6 51.6 -66.3 -40.8 30.5 47.8 41.1 74 74 A S T 3 5S+ 0 0 70 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.817 98.3 65.3 -66.6 -31.6 34.1 47.8 42.4 75 75 A L T 3 5S- 0 0 9 -4,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.654 95.2-144.2 -63.6 -17.6 33.9 51.5 43.4 76 76 A H T < 5 - 0 0 135 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.1 0.885 28.8-179.0 51.8 45.2 31.2 50.5 45.9 77 77 A L < - 0 0 32 -5,-0.8 2,-1.3 2,-0.1 -1,-0.2 -0.612 26.3-149.0 -78.5 128.0 29.3 53.7 45.3 78 78 A N S S+ 0 0 161 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 -0.720 74.0 63.7 -96.4 75.8 26.2 54.1 47.4 79 79 A G S S- 0 0 25 -2,-1.3 28,-0.1 29,-0.0 2,-0.1 -0.838 91.5 -83.3 175.4 154.4 24.4 56.2 44.7 80 80 A P - 0 0 16 0, 0.0 28,-1.2 0, 0.0 2,-0.8 -0.449 33.2-127.8 -75.8 145.8 23.1 55.8 41.2 81 81 A I B +a 108 0A 9 26,-0.2 116,-3.4 -2,-0.1 117,-1.3 -0.849 45.0 165.4 -91.4 108.5 25.3 56.2 38.2 82 82 A V B +b 198 0B 0 26,-1.5 2,-0.3 -2,-0.8 117,-0.2 -0.916 12.7 167.2-126.3 157.6 23.5 58.7 36.0 83 83 A D - 0 0 0 115,-1.2 117,-0.5 -2,-0.3 2,-0.3 -0.954 25.5-122.8-157.4 167.7 24.4 60.9 33.0 84 84 A K - 0 0 12 -2,-0.3 2,-0.3 115,-0.2 117,-0.2 -0.841 19.6-168.6-117.7 156.0 22.7 63.0 30.4 85 85 A H E +c 201 0B 28 115,-1.8 117,-0.8 -2,-0.3 2,-0.3 -0.870 6.8 176.8-135.9 169.9 22.9 62.9 26.6 86 86 A S E -c 202 0B 18 -2,-0.3 117,-0.2 115,-0.2 3,-0.1 -0.927 38.8-118.6-160.1 179.3 21.7 65.1 23.8 87 87 A T S S- 0 0 22 115,-1.0 116,-0.1 1,-0.4 114,-0.0 -0.077 70.8 -91.7-119.7 27.2 21.7 65.7 20.0 88 88 A G - 0 0 24 1,-0.1 -1,-0.4 114,-0.1 116,-0.2 0.156 45.2-171.3 82.4 161.3 23.7 68.9 20.0 89 89 A G > - 0 0 9 31,-0.5 3,-1.7 -3,-0.1 2,-0.4 -0.657 31.5-103.7 170.3 131.2 22.7 72.5 20.2 90 90 A V T 3 S+ 0 0 9 1,-0.3 156,-1.2 -2,-0.2 157,-0.2 -0.485 109.7 8.6 -66.7 118.4 24.3 76.0 19.9 91 91 A G T 3 S+ 0 0 2 -2,-0.4 156,-1.4 29,-0.3 2,-1.2 0.728 83.3 147.1 82.8 24.2 24.7 77.5 23.3 92 92 A D X + 0 0 16 -3,-1.7 3,-0.7 28,-0.3 -1,-0.1 -0.414 4.4 150.1 -92.0 62.2 23.8 74.3 25.1 93 93 A V T > + 0 0 1 -2,-1.2 3,-2.7 1,-0.2 4,-0.4 0.546 33.2 113.8 -69.9 -6.7 26.0 74.8 28.1 94 94 A T T >> + 0 0 0 1,-0.3 4,-2.4 -3,-0.2 3,-0.9 0.682 61.7 68.2 -37.4 -35.8 23.6 72.8 30.3 95 95 A S H <> S+ 0 0 15 -3,-0.7 4,-1.5 1,-0.2 -1,-0.3 0.776 92.5 60.2 -61.3 -28.6 26.0 69.9 30.9 96 96 A L H <4 S+ 0 0 1 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.792 114.4 32.9 -71.8 -31.4 28.3 72.1 33.0 97 97 A M H <> S+ 0 0 0 -3,-0.9 4,-1.9 -4,-0.4 -2,-0.2 0.754 112.4 63.4 -92.6 -30.4 25.6 72.9 35.6 98 98 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.881 97.3 57.0 -61.6 -41.7 23.9 69.5 35.3 99 99 A G H X S+ 0 0 1 -4,-1.5 4,-1.9 2,-0.2 5,-0.2 0.968 111.8 37.8 -54.8 -65.1 26.9 67.6 36.6 100 100 A P H > S+ 0 0 1 0, 0.0 4,-3.6 0, 0.0 3,-0.4 0.955 114.0 57.0 -52.0 -55.9 27.4 69.4 39.9 101 101 A M H < S+ 0 0 0 -4,-1.9 4,-0.5 1,-0.3 -2,-0.2 0.857 113.2 38.4 -44.7 -50.6 23.6 69.7 40.6 102 102 A V H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 -1,-0.3 0.791 115.8 53.3 -75.7 -26.8 23.0 65.9 40.3 103 103 A A H ><5S+ 0 0 15 -4,-1.9 3,-1.5 -3,-0.4 -2,-0.2 0.900 105.9 53.2 -72.4 -39.6 26.2 65.1 42.1 104 104 A A T 3<5S+ 0 0 28 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.686 107.8 55.1 -66.3 -17.8 25.2 67.4 44.9 105 105 A C T 3 5S- 0 0 19 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.082 131.8 -83.1-103.9 20.1 22.0 65.4 45.0 106 106 A G T < 5S+ 0 0 37 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.352 90.2 121.3 99.3 -6.7 23.4 61.9 45.5 107 107 A G < - 0 0 1 -5,-2.7 2,-0.4 -28,-0.1 -1,-0.3 -0.264 50.7-142.6 -87.7 174.7 24.2 61.0 41.9 108 108 A Y B -a 81 0A 49 -28,-1.2 -26,-1.5 -2,-0.1 43,-0.2 -0.937 11.4-164.2-139.8 113.5 27.5 60.1 40.1 109 109 A I E -f 151 0C 0 41,-2.4 2,-1.9 -2,-0.4 43,-1.5 -0.822 10.7-173.9-109.5 100.4 28.1 61.4 36.6 110 110 A P E -f 152 0C 0 0, 0.0 2,-1.8 0, 0.0 43,-0.1 -0.437 20.9-171.7 -84.5 64.4 30.9 59.6 34.6 111 111 A M E +f 153 0C 2 -2,-1.9 43,-1.6 41,-0.9 2,-1.1 -0.363 10.3 179.6 -67.6 83.7 30.6 62.1 31.8 112 112 A I E +f 154 0C 5 -2,-1.8 43,-0.2 41,-0.2 44,-0.1 -0.686 15.9 175.1 -86.0 96.2 32.8 60.8 29.0 113 113 A S E -f 155 0C 15 41,-2.4 43,-0.7 -2,-1.1 2,-0.3 -0.216 23.6-121.3 -91.4-174.5 32.3 63.4 26.2 114 114 A G - 0 0 35 41,-0.2 10,-0.7 -2,-0.1 2,-0.3 -0.878 32.4 -92.4-127.5 159.0 33.9 63.8 22.8 115 115 A R - 0 0 94 -2,-0.3 2,-0.6 9,-0.1 6,-0.0 -0.547 48.4-105.9 -73.4 132.4 35.9 66.6 21.3 116 116 A G - 0 0 9 -2,-0.3 254,-0.4 1,-0.2 6,-0.2 -0.455 38.6-179.0 -60.9 108.7 33.7 69.0 19.3 117 117 A L - 0 0 131 -2,-0.6 2,-0.2 1,-0.2 -1,-0.2 0.512 57.7 -14.0 -88.1 -7.7 34.5 68.2 15.7 118 118 A G S > S- 0 0 25 3,-0.4 2,-1.1 255,-0.1 3,-0.9 -0.851 97.9 -26.5 170.2 153.7 32.2 70.9 14.2 119 119 A H T 3 S+ 0 0 56 1,-0.3 3,-0.1 -2,-0.2 245,-0.1 -0.042 111.4 64.4 38.5 -76.8 29.4 73.5 14.2 120 120 A T T 3 S- 0 0 62 -2,-1.1 -31,-0.5 1,-0.2 -28,-0.3 0.726 105.9-127.4 -43.9 -29.3 27.2 72.2 17.1 121 121 A G < - 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0 0 8 -2,-0.3 -154,-0.2 1,-0.1 -2,-0.1 -0.361 42.5-143.4 -61.5 128.0 20.6 79.7 21.4 246 246 A L S S+ 0 0 0 -156,-1.2 26,-0.4 -2,-0.1 -154,-0.2 0.923 82.2 41.4 -57.5 -51.4 19.7 78.0 24.7 247 247 A A S S- 0 0 2 -156,-1.4 -155,-0.1 2,-0.3 8,-0.0 -0.221 92.9-109.6 -88.0-177.8 22.1 80.0 26.8 248 248 A S S S+ 0 0 11 7,-0.1 138,-2.0 -2,-0.1 137,-0.6 0.427 101.7 52.7 -92.1 1.2 22.9 83.8 26.6 249 249 A S E -G 384 0D 0 135,-0.2 2,-0.5 -158,-0.2 -2,-0.3 -0.992 59.7-165.0-140.5 144.3 26.3 82.9 25.2 250 250 A A E +G 383 0D 2 133,-1.5 133,-2.9 -2,-0.3 2,-0.3 -0.977 55.4 61.3-131.2 114.3 27.7 80.8 22.4 251 251 A G E S-G 382 0D 9 -2,-0.5 131,-0.2 131,-0.2 -160,-0.1 -0.980 84.1 -81.0 166.1-156.8 31.4 80.0 22.5 252 252 A N S >> S+ 0 0 6 129,-0.8 4,-1.5 -2,-0.3 3,-1.1 0.753 114.9 20.2-102.0 -80.9 34.0 78.2 24.7 253 253 A A H 3> S+ 0 0 4 126,-1.9 4,-1.9 1,-0.3 3,-0.3 0.891 121.3 59.3 -58.4 -43.7 35.1 80.4 27.5 254 254 A V H 3> S+ 0 0 10 125,-0.4 4,-0.8 1,-0.3 -1,-0.3 0.776 107.0 48.4 -58.4 -26.9 32.1 82.7 27.4 255 255 A E H <> S+ 0 0 10 -3,-1.1 4,-2.0 2,-0.2 -1,-0.3 0.811 107.4 54.4 -81.1 -34.4 29.9 79.7 28.0 256 256 A V H X S+ 0 0 0 -4,-1.5 4,-1.3 -3,-0.3 -2,-0.2 0.809 106.2 53.7 -67.7 -29.6 32.0 78.5 30.9 257 257 A R H X S+ 0 0 78 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.812 109.0 47.9 -73.0 -31.7 31.6 82.0 32.4 258 258 A E H X S+ 0 0 7 -4,-0.8 4,-1.7 -5,-0.2 -2,-0.2 0.847 107.4 57.1 -75.6 -34.9 27.8 81.6 32.1 259 259 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.841 109.5 44.1 -64.1 -37.6 27.9 78.1 33.7 260 260 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 6,-0.3 0.899 112.9 51.5 -76.6 -37.0 29.6 79.5 36.8 261 261 A Q H <>S+ 0 0 21 -4,-1.6 6,-1.9 2,-0.2 5,-0.8 0.767 108.0 52.3 -68.7 -27.6 27.3 82.5 37.1 262 262 A F H ><5S+ 0 0 1 -4,-1.7 3,-0.5 4,-0.2 -1,-0.2 0.897 112.8 45.9 -72.6 -40.4 24.3 80.2 36.8 263 263 A L H 3<5S+ 0 0 1 -4,-1.3 47,-0.5 1,-0.2 -2,-0.2 0.846 115.8 43.4 -70.9 -36.3 25.7 78.1 39.7 264 264 A T T 3<5S- 0 0 61 -4,-2.4 -1,-0.2 3,-0.1 -2,-0.2 0.377 111.6-119.0 -89.9 3.2 26.6 81.1 41.9 265 265 A G T < 5S+ 0 0 37 -3,-0.5 3,-0.2 -5,-0.2 -3,-0.2 0.526 77.4 128.8 73.2 6.0 23.3 82.7 41.1 266 266 A E S - 0 0 3 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.414 23.4-131.4 -59.0 126.0 18.9 82.9 31.6 270 270 A P H > S+ 0 0 75 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.855 104.1 43.2 -46.9 -48.0 15.2 82.0 32.1 271 271 A R H > S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.924 111.0 51.4 -68.3 -50.4 15.2 79.5 29.3 272 272 A L H > S+ 0 0 0 -26,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.875 109.6 54.5 -56.3 -36.0 18.5 77.8 30.0 273 273 A F H X S+ 0 0 36 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.873 104.5 51.7 -66.3 -41.6 17.3 77.4 33.5 274 274 A D H X S+ 0 0 63 -4,-1.3 4,-2.2 -3,-0.2 -2,-0.2 0.940 114.7 41.6 -62.3 -48.6 14.0 75.6 32.6 275 275 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.876 115.9 49.6 -66.9 -40.4 15.7 73.0 30.4 276 276 A T H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.918 114.8 44.5 -64.7 -44.5 18.6 72.5 32.8 277 277 A M H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.853 112.7 52.5 -67.7 -37.3 16.2 72.0 35.7 278 278 A A H X S+ 0 0 11 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.913 107.6 50.6 -65.3 -46.8 14.0 69.8 33.6 279 279 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.884 109.4 52.2 -60.7 -38.6 16.8 67.5 32.6 280 280 A C H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.894 102.6 55.1 -67.1 -44.7 17.9 67.1 36.3 281 281 A V H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.892 106.9 53.7 -57.7 -36.1 14.6 66.0 37.8 282 282 A E H X S+ 0 0 11 -4,-1.3 4,-3.5 1,-0.2 5,-0.3 0.968 110.5 45.6 -60.4 -50.5 14.5 63.2 35.2 283 283 A M H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.819 113.9 50.7 -61.2 -34.7 17.9 62.1 36.4 284 284 A L H <>S+ 0 0 0 -4,-2.6 5,-3.4 2,-0.2 6,-0.9 0.873 115.7 39.5 -73.7 -37.3 16.7 62.4 40.0 285 285 A I H ><5S+ 0 0 49 -4,-2.9 3,-0.8 3,-0.2 -2,-0.2 0.924 119.1 46.3 -78.0 -44.0 13.6 60.4 39.5 286 286 A S H 3<5S+ 0 0 13 -4,-3.5 -2,-0.2 -5,-0.3 -3,-0.2 0.902 114.1 49.1 -62.5 -41.1 15.3 57.8 37.2 287 287 A G T 3<5S- 0 0 6 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.584 113.8-123.9 -74.3 -8.4 18.2 57.6 39.6 288 288 A K T < 5S+ 0 0 130 -3,-0.8 -3,-0.2 2,-0.2 -2,-0.1 0.827 75.3 126.8 66.5 37.8 15.6 57.2 42.4 289 289 A L S S- 0 0 101 1,-0.1 4,-3.1 0, 0.0 3,-0.4 -0.964 74.6-128.5-126.7 145.4 8.0 63.6 42.8 293 293 A D H > S+ 0 0 86 -2,-0.4 4,-2.5 1,-0.3 5,-0.1 0.823 118.2 55.2 -56.5 -27.9 8.7 66.3 40.3 294 294 A A H > S+ 0 0 73 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.877 108.5 44.0 -72.3 -40.2 8.0 68.5 43.3 295 295 A E H > S+ 0 0 82 -3,-0.4 4,-1.2 2,-0.2 -2,-0.2 0.859 115.5 49.8 -72.5 -36.7 10.6 66.7 45.5 296 296 A A H >X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 3,-0.6 0.963 112.8 44.6 -66.5 -52.1 13.1 66.8 42.6 297 297 A R H 3X S+ 0 0 94 -4,-2.5 4,-0.7 1,-0.3 -1,-0.2 0.629 113.1 52.9 -67.5 -14.2 12.6 70.5 41.9 298 298 A A H 3X S+ 0 0 65 -4,-0.6 4,-0.7 2,-0.1 -1,-0.3 0.730 112.1 45.9 -89.3 -25.3 12.8 71.2 45.7 299 299 A K H X S+ 0 0 50 -4,-0.7 4,-2.7 -3,-0.4 3,-0.5 0.975 110.0 45.9 -60.4 -53.9 18.1 74.0 47.3 303 303 A V H 3< S+ 0 0 12 -4,-1.7 6,-1.8 1,-0.3 7,-0.4 0.827 111.8 52.3 -56.7 -38.5 21.5 73.1 46.0 304 304 A L H 3< S+ 0 0 4 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.824 118.4 36.8 -69.8 -31.6 21.4 75.9 43.5 305 305 A D H << S+ 0 0 109 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.687 114.9 52.7 -94.4 -23.2 20.5 78.4 46.3 306 306 A N S < S- 0 0 110 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.253 107.8-116.7 -96.9 7.2 22.7 77.0 49.1 307 307 A G S >> S+ 0 0 32 -4,-0.3 4,-2.3 -44,-0.2 3,-0.9 0.032 84.3 114.2 85.8 -28.2 25.9 77.0 47.1 308 308 A K H 3> S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.773 75.4 58.9 -47.5 -30.6 26.6 73.2 47.0 309 309 A A H 3> S+ 0 0 0 -6,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.926 108.7 42.3 -65.8 -46.3 26.0 73.3 43.2 310 310 A A H <> S+ 0 0 10 -3,-0.9 4,-2.2 -47,-0.5 -2,-0.2 0.915 113.2 55.6 -66.0 -41.7 28.8 75.8 42.7 311 311 A E H X S+ 0 0 94 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.894 104.8 49.2 -59.0 -48.3 31.0 73.9 45.2 312 312 A V H X S+ 0 0 12 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.925 110.5 52.7 -60.5 -40.0 30.8 70.5 43.4 313 313 A F H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.916 110.3 48.8 -59.6 -44.2 31.7 72.3 40.2 314 314 A G H X S+ 0 0 15 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.977 110.6 48.4 -59.4 -55.3 34.7 73.8 41.9 315 315 A R H X S+ 0 0 131 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.796 110.3 53.9 -57.0 -29.8 35.9 70.5 43.4 316 316 A M H X S+ 0 0 1 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.978 110.7 45.2 -67.6 -53.5 35.5 68.9 39.9 317 317 A V H ><>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 3,-0.9 0.915 114.0 47.6 -54.5 -53.1 37.7 71.6 38.3 318 318 A A H ><5S+ 0 0 35 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.839 109.8 54.8 -59.1 -35.3 40.4 71.5 40.9 319 319 A A H 3<5S+ 0 0 20 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.722 105.4 52.4 -72.1 -23.0 40.4 67.7 40.8 320 320 A Q T <<5S- 0 0 2 -4,-1.2 -186,-2.9 -3,-0.9 -1,-0.3 -0.185 130.3 -93.5-105.1 36.4 41.0 67.8 37.0 321 321 A K T < 5S+ 0 0 160 -3,-1.0 -3,-0.2 -188,-0.2 -2,-0.1 0.523 85.5 130.9 65.8 13.3 44.0 70.1 37.5 322 322 A G S - 0 0 16 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.329 37.1-137.0 -64.0 137.8 42.5 76.3 39.5 324 324 A T T 3 S+ 0 0 122 1,-0.3 3,-0.2 -6,-0.1 -6,-0.1 0.745 107.0 40.4 -66.5 -22.9 41.4 75.6 43.1 325 325 A D T 3> S+ 0 0 47 1,-0.1 4,-3.0 2,-0.1 -1,-0.3 -0.050 76.2 122.7-116.6 31.2 39.7 79.0 43.1 326 326 A F H <> S+ 0 0 2 -3,-1.4 4,-0.9 2,-0.2 7,-0.2 0.920 70.6 55.6 -59.4 -47.1 38.2 79.0 39.6 327 327 A V H 4 S+ 0 0 20 -4,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.913 119.9 31.0 -53.9 -47.1 34.5 79.5 40.8 328 328 A E H 4 S+ 0 0 129 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.872 132.4 32.7 -81.6 -35.7 35.4 82.6 42.7 329 329 A N H >X S+ 0 0 69 -4,-3.0 3,-1.4 1,-0.2 4,-1.0 -0.026 73.6 126.8-113.2 33.3 38.2 83.9 40.5 330 330 A Y H >X + 0 0 23 -4,-0.9 4,-2.9 -3,-0.4 3,-0.7 0.868 68.3 65.2 -56.3 -37.7 37.2 82.7 37.1 331 331 A A H 34 S+ 0 0 72 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.807 102.2 49.3 -55.0 -32.3 37.5 86.2 35.6 332 332 A K H <4 S+ 0 0 169 -3,-1.4 -1,-0.3 -6,-0.1 -2,-0.2 0.798 118.2 39.2 -78.8 -27.5 41.3 85.9 36.3 333 333 A Y H << S+ 0 0 75 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.1 0.836 93.5 84.2 -92.2 -40.8 41.6 82.5 34.7 334 334 A L S < S- 0 0 18 -4,-2.9 -204,-0.1 -8,-0.1 46,-0.0 -0.517 85.7-106.7 -72.9 132.9 39.4 82.6 31.6 335 335 A P - 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