==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-07 3BRH . COMPND 2 MOLECULE: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.D.SEIDEL,J.LOVE,A.PISERCHIO,D.COWBURN . 602 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 12.0 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 . 10 1.7 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 . 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 . 46 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 0 0 0 1 1 2 0 0 3 1 0 0 2 0 0 0 2 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 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 0 PARALLEL BRIDGES PER LADDER . 1 3 2 2 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 1 1 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 80 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -48.6 -0.6 21.7 43.1 2 4 A R H > + 0 0 59 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.913 360.0 40.9 -57.9 -39.7 2.6 23.4 42.0 3 5 A E H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.872 109.2 58.0 -77.6 -40.1 0.5 26.1 40.5 4 6 A I H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.917 111.4 45.2 -46.6 -48.5 -2.1 26.3 43.4 5 7 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.830 110.1 49.3 -66.8 -42.7 0.9 27.1 45.8 6 8 A Q H X S+ 0 0 75 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.852 111.9 50.8 -75.0 -31.0 2.8 29.7 43.7 7 9 A K H X S+ 0 0 129 -4,-1.8 4,-3.0 2,-0.2 3,-0.3 0.981 111.6 47.8 -57.3 -61.5 -0.6 31.5 43.2 8 10 A F H X S+ 0 0 38 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.926 116.3 45.5 -40.7 -58.9 -1.1 31.4 47.1 9 11 A L H X S+ 0 0 21 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.811 111.9 49.4 -53.2 -43.4 2.5 32.6 47.5 10 12 A D H X S+ 0 0 82 -4,-2.2 4,-2.4 -3,-0.3 -2,-0.2 0.868 111.1 50.2 -74.3 -37.2 2.3 35.4 44.8 11 13 A E H X S+ 0 0 106 -4,-3.0 4,-2.3 2,-0.2 3,-0.2 0.988 109.8 49.5 -64.1 -54.1 -0.9 36.8 46.3 12 14 A A H < S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.854 115.6 44.6 -46.5 -45.3 0.6 36.9 49.8 13 15 A Q H < S+ 0 0 163 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.854 113.7 51.9 -65.4 -38.3 3.6 38.7 48.2 14 16 A S H < S+ 0 0 108 -4,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.721 120.9 27.6 -69.2 -31.4 1.2 41.0 46.2 15 17 A K S < S- 0 0 106 -4,-2.3 -1,-0.3 -5,-0.1 2,-0.2 -0.924 76.2-151.6-140.4 106.5 -0.9 42.1 49.1 16 18 A K - 0 0 101 -2,-0.4 2,-0.4 -3,-0.2 -3,-0.1 -0.527 21.0-125.1 -76.0 142.1 0.6 42.2 52.7 17 19 A I - 0 0 54 -2,-0.2 2,-0.2 -5,-0.1 -1,-0.0 -0.815 26.1-145.5 -91.6 133.8 -1.9 41.7 55.5 18 20 A T > - 0 0 62 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.589 22.6-112.7-100.7 162.0 -1.8 44.4 58.1 19 21 A K H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.871 120.8 52.9 -56.3 -41.4 -2.4 44.3 61.8 20 22 A E H > S+ 0 0 149 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.874 110.0 51.4 -63.8 -39.4 -5.6 46.2 61.5 21 23 A E H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.918 110.0 46.0 -58.8 -55.9 -6.6 43.5 58.8 22 24 A F H X S+ 0 0 14 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.829 111.7 52.9 -55.9 -38.4 -5.8 40.5 61.1 23 25 A A H X S+ 0 0 33 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.870 111.5 46.2 -68.0 -34.9 -7.7 42.2 64.0 24 26 A N H X S+ 0 0 85 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.932 114.2 49.5 -68.7 -47.8 -10.7 42.6 61.6 25 27 A E H X S+ 0 0 66 -4,-2.8 4,-1.0 2,-0.2 3,-0.5 0.939 111.1 47.3 -44.2 -63.2 -10.3 39.0 60.6 26 28 A F H X S+ 0 0 2 -4,-2.9 4,-1.8 1,-0.2 3,-0.2 0.846 104.0 62.2 -54.8 -37.3 -10.0 37.7 64.1 27 29 A L H X S+ 0 0 60 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.855 98.0 57.5 -55.6 -45.3 -13.1 39.7 65.3 28 30 A K H X S+ 0 0 96 -4,-1.2 4,-2.0 -3,-0.5 -1,-0.2 0.914 106.5 49.2 -46.0 -45.7 -15.2 37.7 62.8 29 31 A L H X S+ 0 0 0 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.882 111.2 48.1 -66.5 -42.5 -14.1 34.5 64.6 30 32 A K H X S+ 0 0 58 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.893 110.4 53.8 -66.5 -43.7 -15.0 35.9 68.0 31 33 A R H X S+ 0 0 148 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.826 105.4 52.8 -51.4 -48.2 -18.3 37.0 66.6 32 34 A Q H X S+ 0 0 21 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.905 109.0 47.5 -60.4 -41.6 -19.1 33.5 65.4 33 35 A S H X S+ 0 0 23 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.900 112.3 50.9 -68.5 -35.7 -18.5 31.8 68.7 34 36 A T H X S+ 0 0 73 -4,-1.7 4,-1.9 1,-0.2 3,-0.2 0.910 107.5 52.8 -64.4 -47.1 -20.6 34.5 70.5 35 37 A K H X S+ 0 0 121 -4,-2.5 4,-1.8 1,-0.2 6,-0.2 0.777 104.7 58.1 -57.7 -23.6 -23.4 33.8 67.9 36 38 A Y H X>S+ 0 0 36 -4,-1.2 5,-1.4 2,-0.2 6,-0.6 0.881 106.3 46.7 -75.9 -36.8 -23.0 30.1 68.9 37 39 A K H ><5S+ 0 0 140 -4,-1.4 3,-2.9 -3,-0.2 -2,-0.2 0.997 113.0 49.0 -59.5 -66.5 -23.8 30.9 72.6 38 40 A A H 3<5S+ 0 0 66 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.820 118.5 39.3 -31.3 -57.9 -26.8 33.1 71.7 39 41 A D H 3<5S- 0 0 86 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.469 100.4-131.2 -79.5 -6.9 -28.2 30.4 69.3 40 42 A K T <<5 + 0 0 169 -3,-2.9 -3,-0.2 -4,-0.6 -2,-0.1 0.828 52.7 154.5 50.2 37.7 -27.4 27.4 71.6 41 43 A T S + 0 0 27 20,-0.2 4,-1.3 21,-0.1 3,-0.1 -0.299 43.8 135.8-114.0 38.0 -22.0 22.7 76.7 45 47 A T H > + 0 0 74 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.810 65.1 52.3 -62.6 -40.4 -24.5 21.0 79.2 46 48 A V H >4 S+ 0 0 27 2,-0.2 3,-0.8 1,-0.2 -1,-0.2 0.924 110.3 49.2 -63.5 -45.6 -22.3 18.1 80.4 47 49 A A H 34 S+ 0 0 1 16,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.774 108.2 57.1 -62.5 -33.0 -19.5 20.6 81.3 48 50 A E H 3< S+ 0 0 105 -4,-1.3 -1,-0.2 4,-0.1 -2,-0.2 0.653 77.7 115.0 -78.7 -19.2 -22.0 22.7 83.1 49 51 A K S XX S- 0 0 92 -4,-0.9 3,-2.3 -3,-0.8 4,-2.0 -0.276 75.3-125.9 -47.2 130.6 -23.2 19.9 85.5 50 52 A P T 34 S+ 0 0 126 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.731 113.9 59.3 -47.4 -29.2 -22.4 20.7 89.2 51 53 A K T 34 S+ 0 0 142 1,-0.1 -2,-0.1 2,-0.1 -4,-0.1 0.712 119.1 28.4 -72.1 -18.7 -20.6 17.3 89.3 52 54 A N T X4 S+ 0 0 9 -3,-2.3 3,-1.9 -6,-0.2 4,-0.2 0.601 92.0 93.7-111.5 -17.8 -18.4 18.5 86.4 53 55 A I G >< S+ 0 0 65 -4,-2.0 3,-1.0 1,-0.3 -2,-0.1 0.793 87.2 49.1 -61.6 -29.6 -18.1 22.3 86.8 54 56 A K G 3 S+ 0 0 180 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.459 93.7 75.5 -89.6 -0.8 -14.8 22.3 88.9 55 57 A K G < S+ 0 0 41 -3,-1.9 2,-0.4 -8,-0.2 29,-0.4 0.481 80.8 87.7 -80.9 -2.4 -13.0 20.0 86.5 56 58 A N < - 0 0 12 -3,-1.0 3,-0.1 -4,-0.2 6,-0.1 -0.888 67.7-154.5-102.5 128.4 -12.7 23.0 84.1 57 59 A R S S+ 0 0 28 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.783 87.2 37.0 -73.4 -36.9 -9.6 25.1 84.7 58 60 A Y S > S- 0 0 6 3,-0.3 3,-1.3 169,-0.1 540,-0.3 -0.979 74.0-145.7-125.2 130.2 -11.4 28.1 83.1 59 61 A K T 3 S+ 0 0 101 538,-4.7 539,-0.2 -2,-0.4 -1,-0.1 0.794 99.5 45.7 -67.7 -29.9 -15.0 28.8 83.7 60 62 A D T 3 S+ 0 0 36 537,-0.4 2,-0.9 1,-0.1 -1,-0.3 0.468 96.3 83.3 -87.5 -3.8 -15.8 30.3 80.2 61 63 A I < + 0 0 1 -3,-1.3 -3,-0.3 2,-0.0 -1,-0.1 -0.791 59.5 160.0-105.4 83.9 -13.9 27.5 78.4 62 64 A L - 0 0 17 -2,-0.9 22,-0.0 -6,-0.1 -14,-0.0 -0.951 38.8-122.1-118.0 119.9 -16.5 24.7 78.3 63 65 A P - 0 0 1 0, 0.0 -16,-0.3 0, 0.0 2,-0.1 -0.193 30.8-108.9 -60.3 135.1 -16.2 21.8 75.8 64 66 A Y > - 0 0 16 202,-0.2 4,-0.6 1,-0.1 3,-0.5 -0.466 22.9-133.1 -57.9 139.7 -19.0 21.3 73.4 65 67 A D T >4 S+ 0 0 38 -22,-2.4 3,-1.4 1,-0.2 -1,-0.1 0.948 100.4 54.4 -52.2 -55.7 -21.1 18.2 74.1 66 68 A Y T 34 S+ 0 0 129 -23,-0.4 -1,-0.2 1,-0.3 -22,-0.1 0.779 118.8 34.4 -67.9 -16.4 -21.3 16.8 70.7 67 69 A S T 34 S+ 0 0 11 -3,-0.5 20,-2.9 199,-0.1 -1,-0.3 0.286 89.2 126.7-116.3 1.6 -17.5 16.8 70.3 68 70 A R B << -A 86 0A 35 -3,-1.4 2,-0.9 -4,-0.6 18,-0.3 -0.281 66.0-114.0 -63.2 146.0 -16.4 16.1 73.8 69 71 A V - 0 0 0 16,-1.8 14,-0.4 14,-0.3 2,-0.3 -0.760 35.7-152.9 -83.6 108.9 -14.0 13.3 74.6 70 72 A E - 0 0 110 -2,-0.9 2,-0.4 12,-0.1 12,-0.2 -0.606 2.4-142.3 -86.0 139.5 -16.0 10.8 76.7 71 73 A L + 0 0 5 10,-2.4 43,-0.1 -2,-0.3 39,-0.0 -0.822 34.0 151.4-105.8 138.1 -14.4 8.5 79.2 72 74 A S + 0 0 79 -2,-0.4 2,-0.6 41,-0.1 -1,-0.1 0.453 37.5 111.6-141.2 -7.7 -15.4 4.9 79.9 73 75 A L - 0 0 41 7,-0.1 2,-0.5 40,-0.1 44,-0.1 -0.629 59.5-148.7 -70.2 117.4 -12.2 3.2 81.1 74 76 A I + 0 0 116 -2,-0.6 3,-0.1 1,-0.1 -2,-0.0 -0.801 36.9 156.1-105.2 130.7 -13.0 2.5 84.8 75 77 A T S S+ 0 0 38 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.449 71.4 1.7-122.6 -10.9 -10.3 2.4 87.5 76 78 A S S > S- 0 0 50 76,-0.0 3,-1.1 3,-0.0 -1,-0.4 -0.900 77.5 -95.7-162.7 163.9 -12.4 3.1 90.6 77 79 A D T 3 S+ 0 0 163 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 0.547 122.0 59.0 -48.2 -24.2 -16.0 3.8 91.8 78 80 A E T 3 S+ 0 0 156 2,-0.1 2,-0.2 0, 0.0 -1,-0.2 0.501 77.2 117.0 -94.1 -8.4 -15.2 7.6 91.5 79 81 A D < - 0 0 24 -3,-1.1 2,-0.2 2,-0.0 -5,-0.0 -0.431 44.0-177.9 -62.1 121.9 -14.3 7.4 87.9 80 82 A S - 0 0 36 -2,-0.2 -7,-0.1 2,-0.2 -2,-0.1 -0.644 34.7-116.0-122.9 178.7 -16.6 9.5 85.8 81 83 A S S S+ 0 0 36 -2,-0.2 -10,-2.4 -9,-0.1 2,-0.4 0.581 76.8 100.4 -99.5 -8.1 -17.0 10.1 82.1 82 84 A Y + 0 0 1 -12,-0.2 2,-0.3 -36,-0.1 -2,-0.2 -0.630 33.5 154.6 -89.3 129.4 -16.2 13.9 81.9 83 85 A I - 0 0 7 -14,-0.4 2,-1.4 -2,-0.4 -14,-0.3 -0.992 51.1-109.8-137.5 149.6 -12.9 15.6 80.9 84 86 A N S S+ 0 0 1 -29,-0.4 17,-1.3 -2,-0.3 2,-0.3 -0.643 79.0 110.4 -78.1 89.9 -12.3 19.1 79.4 85 87 A A E - B 0 100A 0 -2,-1.4 -16,-1.8 15,-0.2 2,-0.4 -0.971 46.1-161.5-165.1 141.5 -11.4 17.9 75.9 86 88 A N E -AB 68 99A 0 13,-1.7 13,-2.7 -2,-0.3 2,-0.2 -0.998 21.8-123.7-131.0 140.9 -12.7 17.8 72.4 87 89 A F E - B 0 98A 23 -20,-2.9 2,-0.4 -2,-0.4 11,-0.2 -0.587 24.3-156.0 -70.5 144.5 -11.9 15.8 69.3 88 90 A I E - B 0 97A 0 9,-2.7 9,-2.0 -2,-0.2 8,-0.8 -0.997 19.7-116.8-123.2 131.4 -10.8 17.8 66.3 89 91 A K - 0 0 95 -2,-0.4 2,-0.1 6,-0.2 177,-0.0 -0.383 26.1-148.6 -63.1 136.1 -11.2 16.4 62.8 90 92 A G - 0 0 8 3,-2.4 -1,-0.1 -2,-0.1 5,-0.1 -0.220 37.3 -85.4 -93.3-173.2 -8.2 15.8 60.7 91 93 A V S S+ 0 0 33 1,-0.2 -2,-0.1 -2,-0.1 149,-0.0 0.857 126.0 28.7 -61.4 -36.5 -7.8 15.9 56.9 92 94 A Y S S- 0 0 130 1,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.468 126.9 -18.3-108.7 -8.8 -9.0 12.3 56.5 93 95 A G S S- 0 0 22 0, 0.0 -3,-2.4 0, 0.0 3,-0.5 -0.982 75.3 -67.0 177.5 176.4 -11.4 11.5 59.4 94 96 A P S S+ 0 0 84 0, 0.0 -5,-0.1 0, 0.0 -2,-0.0 -0.393 102.2 36.0 -85.8 171.5 -12.7 12.4 62.9 95 97 A K + 0 0 97 2,-0.1 -6,-0.2 -2,-0.1 3,-0.1 0.787 65.2 134.3 61.8 27.5 -10.6 12.2 66.0 96 98 A A S S+ 0 0 7 -8,-0.8 125,-2.5 -3,-0.5 2,-0.4 0.894 74.0 29.8 -63.8 -43.0 -7.2 13.2 64.5 97 99 A Y E -Bc 88 221A 3 -9,-2.0 -9,-2.7 123,-0.3 2,-0.5 -0.946 62.4-153.6-121.8 135.4 -6.5 15.6 67.5 98 100 A I E -Bc 87 222A 0 123,-2.5 125,-3.4 -2,-0.4 2,-0.6 -0.986 17.3-164.2-100.3 117.6 -7.5 15.6 71.1 99 101 A A E +Bc 86 223A 0 -13,-2.7 -13,-1.7 -2,-0.5 2,-0.3 -0.926 23.5 156.4-103.3 114.5 -7.5 19.3 72.3 100 102 A T E -Bc 85 224A 2 123,-2.0 125,-0.9 -2,-0.6 -15,-0.2 -0.819 39.1-107.9-134.1 172.3 -7.5 19.5 76.1 101 103 A Q - 0 0 3 -17,-1.3 126,-0.3 -2,-0.3 125,-0.2 -0.354 50.3 -82.0 -88.6 170.0 -6.6 21.8 79.0 102 104 A G - 0 0 0 124,-3.4 -1,-0.1 34,-0.3 -45,-0.1 -0.631 61.5-101.7 -72.7 131.7 -3.7 21.4 81.3 103 105 A P - 0 0 2 0, 0.0 35,-2.1 0, 0.0 2,-0.2 -0.173 27.3-142.3 -57.2 144.0 -4.7 18.9 84.0 104 106 A L >> - 0 0 37 -49,-0.2 3,-1.4 33,-0.2 4,-0.6 -0.594 37.6 -96.2 -87.3 165.6 -5.8 20.1 87.5 105 107 A S G >4 S+ 0 0 82 1,-0.2 3,-0.7 -2,-0.2 4,-0.3 0.881 127.4 49.7 -50.2 -39.9 -4.7 17.9 90.6 106 108 A T G 34 S+ 0 0 109 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.534 113.6 47.2 -79.4 -10.8 -8.2 16.2 90.5 107 109 A T G <> S+ 0 0 6 -3,-1.4 4,-2.4 2,-0.1 -1,-0.2 0.243 76.5 97.5-115.9 9.4 -7.9 15.5 86.8 108 110 A L H S+ 0 0 42 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.951 109.8 52.5 -67.5 -48.9 -6.1 10.5 86.6 110 112 A D H > S+ 0 0 17 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.880 107.6 55.0 -44.1 -47.5 -8.8 11.5 84.0 111 113 A F H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.947 110.1 42.8 -57.1 -53.8 -5.9 12.7 81.8 112 114 A W H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.880 111.1 56.8 -64.2 -39.8 -4.1 9.3 81.9 113 115 A R H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.906 109.8 45.4 -48.8 -49.8 -7.4 7.5 81.5 114 116 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 6,-0.3 0.939 112.3 50.1 -58.8 -56.8 -8.1 9.4 78.3 115 117 A I H <>S+ 0 0 2 -4,-2.3 5,-2.1 2,-0.2 4,-0.4 0.941 117.1 41.5 -47.6 -57.0 -4.5 8.8 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3<5S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.775 115.0 46.7 -61.8 -39.3 42.4 25.0 101.9 543 249 B D T 3<5S- 0 0 79 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.268 110.8-122.2 -86.0 9.3 43.0 27.3 104.9 544 250 B G T < 5S+ 0 0 34 -3,-1.4 -3,-0.2 1,-0.1 -244,-0.2 0.841 78.2 118.4 50.2 40.8 45.7 24.9 106.1 545 251 B I < + 0 0 72 -5,-2.8 -4,-0.2 -6,-0.2 -1,-0.1 0.032 24.7 145.9-122.8 25.3 44.0 24.3 109.5 546 252 B I - 0 0 3 -6,-0.5 -243,-0.1 -5,-0.2 -242,-0.1 -0.485 51.3-121.7 -59.0 117.3 43.3 20.5 109.5 547 253 B P > - 0 0 50 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.353 7.9-122.2 -67.6 149.5 43.7 19.5 113.1 548 254 B E T 3 S+ 0 0 138 1,-0.2 -2,-0.1 -250,-0.1 -249,-0.0 0.846 116.4 53.8 -44.7 -37.4 46.3 16.8 114.2 549 255 B N T 3 S+ 0 0 139 2,-0.0 -1,-0.2 5,-0.0 5,-0.1 0.754 80.9 150.8 -76.8 -19.2 43.2 15.0 115.6 550 256 B F < + 0 0 25 -3,-0.9 2,-0.3 1,-0.1 3,-0.0 0.372 8.2 153.2 -28.3 123.2 41.2 15.0 112.3 551 257 B S > - 0 0 35 1,-0.1 4,-1.6 0, 0.0 -1,-0.1 -0.979 47.9-134.5-147.6 140.8 38.7 12.1 111.7 552 258 B V H > S+ 0 0 7 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.794 109.2 62.0 -56.8 -33.3 35.5 11.9 109.6 553 259 B F H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.976 105.5 43.7 -58.1 -60.3 34.0 10.2 112.6 554 260 B S H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.782 111.0 54.9 -51.1 -48.8 34.5 13.3 114.9 555 261 B L H X S+ 0 0 13 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.940 112.1 41.6 -49.5 -53.8 33.3 15.8 112.2 556 262 B I H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.873 112.1 55.9 -69.7 -38.8 29.9 14.0 111.7 557 263 B R H X S+ 0 0 115 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.898 111.3 44.5 -52.8 -51.9 29.5 13.4 115.4 558 264 B E H >< S+ 0 0 97 -4,-2.2 3,-2.3 2,-0.2 4,-0.5 0.986 113.2 49.9 -58.0 -64.6 29.9 17.2 115.9 559 265 B M H >X S+ 0 0 5 -4,-3.1 3,-1.9 1,-0.3 4,-1.5 0.845 105.3 58.0 -43.5 -41.8 27.6 18.0 113.1 560 266 B R H 3< S+ 0 0 13 -4,-2.6 -1,-0.3 1,-0.3 5,-0.2 0.633 96.3 62.5 -70.5 -9.6 24.9 15.6 114.4 561 267 B T T << S+ 0 0 21 -3,-2.3 -1,-0.3 -4,-0.5 -2,-0.2 0.569 110.8 42.1 -79.4 -9.9 24.8 17.5 117.7 562 268 B Q T <4 S+ 0 0 5 -3,-1.9 -2,-0.2 -4,-0.5 -199,-0.2 0.662 126.8 18.2-114.5 -30.1 23.6 20.4 115.6 563 269 B R S >< S- 0 0 0 -4,-1.5 3,-1.2 -201,-0.1 -1,-0.4 -0.945 87.3-112.7-146.2 124.5 21.1 18.9 113.3 564 270 B P T 3 S+ 0 0 17 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.302 91.9 3.0 -63.0 143.3 19.5 15.6 113.9 565 271 B S T 3 S+ 0 0 43 1,-0.2 2,-0.3 -5,-0.2 -36,-0.2 0.671 75.0 172.9 60.5 23.3 20.4 12.7 111.5 566 272 B L S < S+ 0 0 1 -3,-1.2 -40,-0.3 -10,-0.1 -1,-0.2 -0.575 73.0 22.8 -61.9 123.1 22.9 14.6 109.5 567 273 B V S S- 0 0 2 -42,-2.2 -41,-0.2 -2,-0.3 -1,-0.1 0.886 79.7-166.8 77.2 89.4 24.3 11.8 107.2 568 274 B Q + 0 0 31 1,-0.0 2,-0.3 2,-0.0 -42,-0.1 0.600 58.1 45.7 -90.0 -14.6 21.5 9.3 107.4 569 275 B T S > S- 0 0 31 -43,-0.1 4,-2.6 -78,-0.1 3,-0.4 -0.943 72.7-125.9-135.6 152.7 23.2 6.2 105.9 570 276 B Q H > S+ 0 0 58 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.813 116.9 57.2 -71.5 -20.2 26.5 4.2 106.3 571 277 B E H > S+ 0 0 81 2,-0.2 4,-1.9 -81,-0.2 -1,-0.3 0.863 105.6 47.7 -70.5 -35.6 26.7 4.6 102.6 572 278 B Q H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.881 110.5 54.4 -70.4 -39.7 26.5 8.4 102.9 573 279 B Y H X S+ 0 0 6 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.858 109.2 45.7 -59.9 -47.4 29.1 8.1 105.7 574 280 B E H X S+ 0 0 15 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.833 109.2 55.4 -62.3 -41.8 31.5 6.2 103.3 575 281 B L H X S+ 0 0 8 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.849 107.9 49.5 -55.8 -42.6 30.9 8.7 100.5 576 282 B V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.976 113.0 48.1 -62.8 -50.6 32.0 11.5 103.0 577 283 B Y H X S+ 0 0 33 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.911 114.0 44.4 -48.7 -53.3 35.1 9.4 103.9 578 284 B N H X S+ 0 0 75 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.841 115.4 47.9 -65.1 -41.0 36.0 8.8 100.2 579 285 B A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.875 112.6 48.2 -64.2 -43.9 35.4 12.4 99.2 580 286 B V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.893 110.7 51.9 -64.0 -44.2 37.5 13.8 102.1 581 287 B L H X S+ 0 0 23 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.914 110.5 48.5 -61.6 -43.4 40.3 11.3 101.3 582 288 B E H X S+ 0 0 60 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.910 108.0 53.2 -57.8 -44.3 40.1 12.7 97.8 583 289 B L H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.928 107.4 53.7 -60.8 -35.9 40.2 16.2 99.1 584 290 B F H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.888 107.1 50.9 -60.5 -45.0 43.4 15.2 101.0 585 291 B K H X S+ 0 0 87 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.910 111.7 46.8 -59.1 -50.9 45.0 13.9 97.8 586 292 B R H X S+ 0 0 88 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.862 109.7 53.4 -61.3 -41.9 44.3 17.2 96.0 587 293 B Q H X S+ 0 0 24 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.937 106.8 51.7 -58.9 -45.7 45.6 19.3 98.9 588 294 B M H X S+ 0 0 6 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.789 106.0 55.9 -51.9 -40.0 48.9 17.4 98.9 589 295 B D H X S+ 0 0 78 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.879 106.8 50.1 -64.2 -39.6 49.2 18.1 95.2 590 296 B V H X S+ 0 0 85 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.944 114.4 43.2 -63.1 -46.1 48.9 21.8 96.0 591 297 B I H < S+ 0 0 47 -4,-2.0 3,-0.4 2,-0.2 -2,-0.2 0.932 112.6 53.3 -63.2 -45.0 51.6 21.6 98.7 592 298 B R H < S+ 0 0 162 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.879 113.2 44.5 -60.0 -37.9 53.8 19.4 96.3 593 299 B D H < 0 0 149 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.724 360.0 360.0 -83.9 -19.2 53.6 22.0 93.6 594 300 B K < 0 0 149 -4,-1.5 -3,-0.1 -3,-0.4 -2,-0.1 0.918 360.0 360.0 -81.0 360.0 54.2 25.3 95.6 595 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 596 391 C D 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 83.9 -15.1 32.4 88.0 597 392 C N - 0 0 113 -539,-0.1 -538,-4.7 -537,-0.0 -537,-0.4 0.420 360.0-162.4 96.2 88.2 -11.7 31.7 86.6 598 393 C E + 0 0 104 -540,-0.3 3,-0.0 -539,-0.2 0, 0.0 -0.585 31.4 173.5-117.5-175.3 -11.7 32.8 82.8 599 394 C Y > + 0 0 25 -2,-0.2 2,-0.7 -541,-0.1 3,-0.6 0.557 33.6 129.8-159.2 -78.0 -9.8 32.3 79.7 600 395 C T T 3 S- 0 0 60 1,-0.3 2,-0.0 2,-0.1 -542,-0.0 -0.520 73.0 -42.0 89.7-100.9 -11.5 33.9 76.7 601 396 C A T 3 0 0 25 -2,-0.7 -1,-0.3 -3,-0.0 -2,-0.0 0.127 360.0 360.0-179.2-126.0 -9.3 35.2 75.8 602 397 C R < 0 0 171 -3,-0.6 -2,-0.1 -329,-0.1 -329,-0.1 0.301 360.0 360.0 76.4 360.0 -6.2 37.2 75.6 603 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 604 391 D D 0 0 86 0, 0.0 -247,-0.2 0, 0.0 -248,-0.1 0.000 360.0 360.0 360.0 48.1 4.3 14.6 108.0 605 392 D N B -s 357 0D 115 -249,-1.4 -247,-2.7 1,-0.0 2,-0.3 0.052 360.0 -92.4 -76.7-152.2 5.1 11.0 107.0 606 393 D E 0 0 110 -249,-0.3 -249,-0.1 -248,-0.2 -1,-0.0 -0.991 360.0 360.0-139.7 133.9 8.3 9.5 108.5 607 394 D Y 0 0 59 -2,-0.3 -1,-0.1 -84,-0.0 -84,-0.0 0.408 360.0 360.0 -88.3 360.0 12.0 9.2 107.6