==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-00 1C87 . COMPND 2 MOLECULE: PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.F.IVERSEN,H.S.ANDERSEN,S.B.MORTENSEN,N.P.MOLLER . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0.7 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 . 28 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.0 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 1 0 0 0 0 1 3 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 0 2 1 0 0 1 0 0 1 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 . 1 0 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 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 E > 0 0 61 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 145.3 20.0 68.8 37.4 2 3 A M H > + 0 0 9 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.778 360.0 62.7 -49.8 -32.6 18.6 66.3 34.8 3 4 A E H > S+ 0 0 89 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 102.6 44.1 -66.4 -42.0 16.5 69.3 33.9 4 5 A K H > S+ 0 0 147 2,-0.2 4,-2.9 -3,-0.2 5,-0.2 0.965 113.5 52.3 -68.6 -43.2 19.6 71.4 32.9 5 6 A E H X S+ 0 0 38 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.943 108.2 52.7 -48.9 -50.5 20.9 68.3 31.0 6 7 A F H X S+ 0 0 13 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.918 110.1 46.9 -52.2 -43.4 17.6 68.2 29.3 7 8 A E H X S+ 0 0 122 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.933 111.3 49.4 -77.7 -37.2 17.8 71.8 28.2 8 9 A Q H X S+ 0 0 136 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.948 113.5 48.6 -53.4 -47.8 21.4 71.5 27.0 9 10 A I H <>S+ 0 0 3 -4,-2.8 5,-2.4 -5,-0.2 4,-0.3 0.924 114.5 44.0 -67.0 -47.6 20.4 68.4 25.0 10 11 A D H <5S+ 0 0 60 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.933 113.0 51.0 -57.1 -51.9 17.3 70.0 23.4 11 12 A K H <5S+ 0 0 181 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.947 120.2 34.7 -61.3 -45.8 19.0 73.3 22.6 12 13 A S T <5S- 0 0 70 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.670 107.6-139.7 -71.1 -14.8 21.9 71.6 20.8 13 14 A G T 5 + 0 0 53 -4,-0.3 -3,-0.2 -5,-0.3 3,-0.2 0.929 52.1 142.4 47.4 59.6 19.3 69.1 19.8 14 15 A S >< + 0 0 36 -5,-2.4 4,-2.8 1,-0.2 5,-0.3 0.049 14.5 125.2-117.7 35.5 21.5 66.0 20.3 15 16 A W H > S+ 0 0 23 -6,-0.3 4,-3.2 1,-0.2 5,-0.2 0.902 76.6 54.6 -54.2 -42.4 19.1 63.3 21.7 16 17 A A H > S+ 0 0 52 -3,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.902 110.7 43.3 -60.8 -44.6 20.1 60.9 18.8 17 18 A A H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 113.9 51.4 -71.3 -40.0 23.8 61.1 19.6 18 19 A I H X S+ 0 0 29 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.944 114.9 42.8 -53.8 -52.1 23.1 60.8 23.3 19 20 A Y H X S+ 0 0 9 -4,-3.2 4,-2.9 -5,-0.3 -2,-0.2 0.949 110.7 56.4 -60.9 -46.3 21.0 57.8 22.7 20 21 A Q H X S+ 0 0 118 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 0.899 107.2 51.5 -44.0 -43.9 23.7 56.5 20.2 21 22 A D H X S+ 0 0 82 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.958 107.0 49.9 -69.8 -43.0 26.1 56.8 23.0 22 23 A I H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.940 110.3 52.0 -56.1 -46.0 24.0 54.8 25.4 23 24 A R H < S+ 0 0 123 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.909 110.3 49.0 -61.9 -34.1 23.7 52.1 22.8 24 25 A H H < S+ 0 0 163 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 115.0 42.4 -74.3 -33.0 27.4 52.1 22.3 25 26 A E H < S+ 0 0 125 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.617 87.3 115.7 -79.3 -23.1 28.3 51.8 26.0 26 27 A A S < S- 0 0 24 -4,-2.2 224,-0.1 -5,-0.2 228,-0.1 -0.079 72.2 -96.2 -56.8 152.3 25.6 49.2 26.9 27 28 A S - 0 0 38 223,-0.3 2,-0.5 229,-0.1 -1,-0.1 -0.226 27.1-156.3 -66.6 154.5 26.7 45.8 28.1 28 29 A D + 0 0 146 229,-0.1 226,-0.0 23,-0.0 -1,-0.0 -0.975 21.7 162.0-136.8 113.9 27.0 42.8 26.0 29 30 A F - 0 0 81 -2,-0.5 228,-0.1 1,-0.0 2,-0.0 -0.909 44.7 -82.3-126.6 160.9 26.8 39.4 27.7 30 31 A P - 0 0 55 0, 0.0 22,-2.8 0, 0.0 23,-0.4 -0.284 25.7-169.5 -66.4 147.5 26.1 36.1 26.2 31 32 A C > + 0 0 20 20,-0.3 4,-1.3 21,-0.1 20,-0.1 -0.357 33.0 144.7-120.5 53.7 22.6 34.7 25.4 32 33 A R H > S+ 0 0 153 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.891 70.0 49.8 -60.7 -42.3 23.6 31.1 24.6 33 34 A V H >4 S+ 0 0 30 1,-0.2 3,-1.5 2,-0.2 6,-0.3 0.958 109.2 52.8 -65.4 -36.0 20.5 29.4 26.0 34 35 A A H 34 S+ 0 0 1 16,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 110.8 49.7 -61.2 -30.7 18.2 31.8 24.1 35 36 A K H 3< S+ 0 0 117 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.464 81.6 118.4 -93.2 0.4 20.1 30.8 21.0 36 37 A L S X< S- 0 0 74 -3,-1.5 3,-2.1 -4,-0.6 4,-0.4 -0.359 73.8-120.6 -63.8 143.0 19.9 27.0 21.5 37 38 A P G > S+ 0 0 119 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.881 111.8 59.8 -56.9 -31.5 18.0 25.3 18.6 38 39 A K G 3 S+ 0 0 121 1,-0.2 3,-0.3 2,-0.1 -2,-0.1 0.848 103.2 52.9 -63.7 -23.1 15.4 23.9 21.0 39 40 A N G X S+ 0 0 0 -3,-2.1 3,-2.2 -6,-0.3 4,-0.4 0.412 75.1 103.7 -96.9 4.7 14.4 27.5 22.0 40 41 A K G X S+ 0 0 179 -3,-1.3 3,-1.7 -4,-0.4 -1,-0.2 0.941 82.0 47.4 -49.9 -52.4 13.8 28.9 18.5 41 42 A N G 3 S+ 0 0 103 -4,-0.3 -1,-0.3 -3,-0.3 48,-0.2 0.375 103.7 65.6 -75.9 5.5 10.0 28.8 18.8 42 43 A R G < S+ 0 0 18 -3,-2.2 25,-0.5 -8,-0.1 2,-0.4 0.362 89.6 73.4-102.5 -0.2 10.2 30.5 22.3 43 44 A N < - 0 0 25 -3,-1.7 3,-0.1 -4,-0.4 6,-0.1 -0.956 60.3-161.0-118.3 137.8 11.6 33.8 21.1 44 45 A R S S+ 0 0 50 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.803 81.1 33.6 -83.3 -35.9 9.5 36.3 19.2 45 46 A Y > - 0 0 65 3,-0.4 3,-2.1 171,-0.1 -1,-0.2 -0.991 69.0-142.7-125.5 128.0 12.4 38.3 17.7 46 47 A R T 3 S+ 0 0 187 -2,-0.4 -1,-0.1 1,-0.3 3,-0.0 0.745 103.9 49.2 -45.8 -36.5 15.7 36.8 16.6 47 48 A D T 3 S+ 0 0 101 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.114 97.8 74.0-107.4 19.5 17.5 39.9 17.8 48 49 A V < + 0 0 13 -3,-2.1 -3,-0.4 2,-0.0 -4,-0.2 -0.850 60.1 149.8-138.7 109.5 15.9 40.2 21.3 49 50 A S - 0 0 5 -2,-0.4 208,-0.5 -6,-0.1 2,-0.3 -0.904 46.0-108.3-133.6 149.5 17.1 37.7 23.8 50 51 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 2,-0.1 -0.655 38.9-114.2 -73.1 140.5 17.6 37.4 27.5 51 52 A F > - 0 0 0 204,-0.4 4,-1.2 -2,-0.3 3,-0.4 -0.492 24.5-124.0 -64.7 143.9 21.2 37.4 28.8 52 53 A D T 4 S+ 0 0 21 -22,-2.8 3,-0.3 1,-0.2 -1,-0.1 0.870 106.9 55.3 -57.2 -38.2 22.1 34.1 30.3 53 54 A H T 4 S+ 0 0 108 -23,-0.4 -1,-0.2 1,-0.2 202,-0.1 0.886 119.6 28.9 -70.4 -33.7 23.2 35.6 33.6 54 55 A S T 4 S+ 0 0 11 -3,-0.4 16,-2.6 201,-0.1 -1,-0.2 0.356 89.0 123.3-107.5 6.3 19.9 37.4 34.3 55 56 A R E < -A 69 0A 30 -4,-1.2 2,-0.6 -3,-0.3 14,-0.3 -0.215 65.4-112.1 -66.7 156.8 17.3 35.2 32.5 56 57 A I E - 0 0 9 12,-2.3 10,-0.7 10,-0.4 2,-0.5 -0.781 28.2-147.7 -87.7 122.7 14.3 33.8 34.4 57 58 A K E -A 65 0A 111 -2,-0.6 2,-0.2 8,-0.1 8,-0.2 -0.851 9.3-134.8 -91.0 126.4 14.5 30.0 34.7 58 59 A L - 0 0 4 6,-2.3 2,-1.3 -2,-0.5 39,-0.0 -0.556 21.6-120.8 -69.1 143.6 11.2 28.1 34.7 59 60 A H S S+ 0 0 132 -2,-0.2 2,-0.3 37,-0.1 -1,-0.1 -0.401 75.3 116.7 -85.9 57.8 11.0 25.4 37.4 60 61 A Q - 0 0 45 -2,-1.3 4,-0.2 1,-0.1 -2,-0.1 -0.921 62.4-145.7-121.8 152.1 10.5 22.7 34.9 61 62 A E S S+ 0 0 202 -2,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.891 93.8 61.4 -77.2 -42.2 12.8 19.7 34.1 62 63 A D S S- 0 0 127 1,-0.2 2,-0.3 2,-0.1 -1,-0.0 0.956 127.9 -22.0 -44.2 -82.6 11.9 19.7 30.4 63 64 A N - 0 0 11 2,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.878 53.6-167.1-140.3 104.5 13.0 23.1 29.2 64 65 A D + 0 0 46 -2,-0.3 -6,-2.3 -3,-0.3 2,-0.5 0.330 49.6 125.9 -70.0 6.5 13.5 25.9 31.8 65 66 A Y E +A 57 0A 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.563 23.4 154.1 -81.8 129.6 13.7 28.6 29.0 66 67 A I E - 0 0 9 -10,-0.7 2,-2.1 -2,-0.5 -10,-0.4 -0.998 50.5-114.3-135.8 145.8 11.6 31.8 28.7 67 68 A N E S+ 0 0 0 -25,-0.5 17,-1.8 -2,-0.3 2,-0.3 -0.574 78.2 110.5 -76.2 85.1 12.4 35.0 27.1 68 69 A A E - B 0 83A 0 -2,-2.1 -12,-2.3 15,-0.2 2,-0.4 -0.976 46.8-159.4-157.0 149.3 12.4 37.0 30.3 69 70 A S E -AB 55 82A 0 13,-2.6 13,-2.4 -2,-0.3 2,-0.7 -0.989 19.9-127.8-132.7 146.3 15.0 38.8 32.6 70 71 A L E - B 0 81A 36 -16,-2.6 2,-0.8 -2,-0.4 11,-0.2 -0.812 18.8-159.6 -90.5 114.6 15.2 39.9 36.1 71 72 A I E - B 0 80A 0 9,-3.0 9,-1.8 -2,-0.7 2,-0.8 -0.849 13.1-167.5 -86.6 109.8 16.2 43.6 36.2 72 73 A K E - B 0 79A 119 -2,-0.8 2,-1.1 7,-0.2 7,-0.2 -0.822 8.4-163.7-109.5 101.3 17.6 43.8 39.7 73 74 A M E >> - B 0 78A 13 5,-2.0 4,-1.6 -2,-0.8 5,-1.3 -0.699 7.4-175.3 -91.8 96.9 18.1 47.4 40.7 74 75 A E T 45S+ 0 0 171 -2,-1.1 3,-0.2 2,-0.2 -1,-0.2 0.963 79.7 39.7 -55.4 -62.1 20.4 47.1 43.8 75 76 A E T 45S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.936 120.6 44.9 -56.2 -46.5 20.6 50.8 44.9 76 77 A A T 45S- 0 0 2 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.787 101.2-138.4 -69.1 -25.1 16.9 51.5 44.2 77 78 A Q T <5 + 0 0 142 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.913 62.3 112.1 61.3 47.9 15.9 48.3 45.8 78 79 A R E < -B 73 0A 45 -5,-1.3 -5,-2.0 126,-0.1 2,-0.3 -0.980 44.4-164.9-146.4 138.3 13.3 47.3 43.2 79 80 A S E -B 72 0A 39 -2,-0.3 131,-0.7 -7,-0.2 2,-0.3 -0.923 4.3-174.5-118.1 154.8 13.3 44.5 40.7 80 81 A Y E -Bc 71 210A 0 -9,-1.8 -9,-3.0 -2,-0.3 2,-0.5 -0.962 23.0-131.8-135.8 155.1 11.2 43.9 37.7 81 82 A I E -Bc 70 211A 0 129,-2.8 131,-3.1 -2,-0.3 2,-0.4 -0.959 23.5-160.6 -98.5 119.4 10.9 41.0 35.3 82 83 A L E +Bc 69 212A 0 -13,-2.4 -13,-2.6 -2,-0.5 2,-0.3 -0.870 20.8 162.5-102.6 136.1 11.0 42.2 31.6 83 84 A T E -Bc 68 213A 3 129,-1.7 131,-0.9 -2,-0.4 -15,-0.2 -0.944 36.5-102.7-146.0 159.3 9.6 39.9 29.0 84 85 A Q - 0 0 5 -17,-1.8 132,-0.3 -2,-0.3 131,-0.2 -0.419 55.4 -79.2 -75.5 169.5 8.4 39.7 25.5 85 86 A G - 0 0 0 130,-3.0 -1,-0.1 34,-0.3 130,-0.1 -0.519 63.4-101.2 -60.6 124.8 4.7 39.5 24.5 86 87 A P - 0 0 2 0, 0.0 35,-2.8 0, 0.0 5,-0.1 -0.106 33.4-137.2 -51.1 135.9 3.8 35.8 25.1 87 88 A L >> - 0 0 21 33,-0.2 3,-1.6 -45,-0.1 4,-0.6 -0.472 33.7 -98.1 -78.2 163.2 3.7 33.6 21.8 88 89 A P T 34 S+ 0 0 113 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.868 125.7 46.4 -57.5 -27.3 0.8 31.1 21.4 89 90 A N T 34 S+ 0 0 66 -48,-0.2 4,-0.2 1,-0.2 -48,-0.0 0.445 113.0 49.8 -91.4 -0.9 3.1 28.2 22.7 90 91 A T T <> S+ 0 0 7 -3,-1.6 4,-2.6 2,-0.1 -1,-0.2 0.297 73.4 97.1-123.8 14.4 4.5 30.1 25.7 91 92 A C H X S+ 0 0 11 -4,-0.6 4,-2.1 -3,-0.4 5,-0.2 0.871 89.3 51.7 -68.8 -28.5 1.5 31.6 27.4 92 93 A G H > S+ 0 0 4 2,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.911 110.5 47.4 -71.1 -39.0 1.7 28.6 29.8 93 94 A H H > S+ 0 0 11 -4,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.921 108.7 56.6 -60.9 -46.0 5.3 29.3 30.5 94 95 A F H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.934 110.8 41.5 -55.8 -49.3 4.5 33.0 31.0 95 96 A W H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.851 111.1 56.4 -72.2 -27.9 2.0 32.2 33.8 96 97 A E H X S+ 0 0 13 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.963 107.2 51.4 -59.2 -46.1 4.3 29.6 35.3 97 98 A M H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 6,-0.3 0.940 109.2 48.8 -53.7 -49.5 6.9 32.4 35.5 98 99 A V H <>S+ 0 0 1 -4,-2.1 5,-1.7 1,-0.2 4,-0.5 0.907 115.5 45.3 -59.3 -39.5 4.3 34.6 37.3 99 100 A W H ><5S+ 0 0 26 -4,-2.2 3,-0.8 2,-0.2 -2,-0.2 0.947 116.3 42.6 -65.6 -53.6 3.5 31.7 39.7 100 101 A E H 3<5S+ 0 0 33 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.924 116.8 47.2 -67.4 -42.2 7.1 30.7 40.5 101 102 A Q T 3<5S- 0 0 49 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.463 105.2-131.0 -74.9 -9.9 8.4 34.2 40.8 102 103 A K T < 5 + 0 0 126 -3,-0.8 106,-3.0 -4,-0.5 -3,-0.2 0.797 40.2 173.4 64.4 33.4 5.4 35.2 43.1 103 104 A S < - 0 0 3 -5,-1.7 -1,-0.2 -6,-0.3 107,-0.1 -0.449 26.7-167.7 -75.0 147.2 4.5 38.4 41.2 104 105 A R S S+ 0 0 52 104,-0.5 67,-2.4 98,-0.4 2,-0.3 0.646 70.9 46.2 -99.7 -23.2 1.3 40.3 42.2 105 106 A G E -d 171 0A 0 97,-0.4 106,-2.3 65,-0.2 2,-0.4 -0.910 53.6-165.9-130.0 149.2 1.3 42.5 39.1 106 107 A V E -de 172 211A 0 65,-2.6 67,-2.6 -2,-0.3 2,-0.6 -0.986 11.8-161.6-132.3 121.6 1.6 42.4 35.3 107 108 A V E -de 173 212A 0 104,-3.1 106,-3.5 -2,-0.4 2,-0.5 -0.933 6.9-171.7-109.0 113.1 2.1 45.6 33.3 108 109 A M E +de 174 213A 0 65,-2.3 67,-2.3 -2,-0.6 106,-0.2 -0.960 10.0 179.9-110.6 120.9 1.4 45.3 29.6 109 110 A L + 0 0 0 104,-2.7 69,-0.2 -2,-0.5 2,-0.2 0.334 59.5 58.9-103.9 4.1 2.3 48.3 27.5 110 111 A N S S- 0 0 1 103,-0.2 2,-0.3 104,-0.1 4,-0.1 -0.737 75.5-115.8-123.4 166.7 1.2 47.1 24.0 111 112 A R - 0 0 123 -2,-0.2 8,-0.2 67,-0.2 3,-0.1 -0.783 27.2-118.8 -99.2 158.2 -1.9 45.9 22.2 112 113 A V S S+ 0 0 33 -2,-0.3 7,-2.4 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-1,-0.2 -3,-0.2 -2,-0.2 0.547 94.6-128.9-115.2 -12.9 17.0 60.5 49.5 238 239 A K T <5S+ 0 0 104 -4,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.856 70.6 127.1 55.1 40.8 14.7 63.3 48.5 239 240 A D > < + 0 0 71 -5,-1.3 3,-1.6 -6,-0.2 4,-0.4 -0.768 37.8 179.3-130.7 89.9 17.5 64.4 46.2 240 241 A P G > S+ 0 0 22 0, 0.0 3,-2.0 0, 0.0 -238,-0.2 0.893 83.5 60.6 -53.0 -33.2 16.7 64.9 42.4 241 242 A S G 3 S+ 0 0 85 1,-0.3 -2,-0.0 -240,-0.1 -7,-0.0 0.646 91.8 64.3 -84.1 -8.8 20.2 65.9 41.7 242 243 A S G < S+ 0 0 41 -3,-1.6 2,-0.6 -8,-0.1 -1,-0.3 0.691 83.9 97.2 -78.7 -14.6 21.6 62.7 42.8 243 244 A V < - 0 0 13 -3,-2.0 2,-0.7 -4,-0.4 -241,-0.2 -0.682 53.7-167.5 -87.9 123.1 19.8 60.9 40.0 244 245 A D > - 0 0 59 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 -0.876 2.8-168.5 -99.4 104.1 21.8 60.2 36.8 245 246 A I H > S+ 0 0 1 -2,-0.7 4,-2.5 2,-0.2 5,-0.3 0.962 84.0 46.0 -62.6 -53.7 19.2 59.1 34.2 246 247 A K H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.929 113.3 50.2 -54.0 -46.9 21.6 57.8 31.5 247 248 A K H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.868 108.6 51.3 -63.6 -34.5 23.6 55.9 34.0 248 249 A V H X S+ 0 0 13 -4,-2.2 4,-2.6 -3,-0.3 -1,-0.2 0.921 108.8 51.3 -71.7 -36.4 20.6 54.2 35.5 249 250 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 110.2 50.7 -57.1 -39.4 19.5 53.1 32.0 250 251 A L H X S+ 0 0 34 -4,-2.4 4,-0.9 -5,-0.3 -223,-0.3 0.947 107.9 51.3 -67.4 -41.8 23.0 51.7 31.6 251 252 A D H >< S+ 0 0 60 -4,-2.4 3,-0.9 1,-0.2 4,-0.4 0.940 112.4 48.8 -59.0 -42.4 22.8 49.8 35.0 252 253 A M H >X S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.2 4,-1.4 0.909 101.9 60.1 -65.4 -37.2 19.5 48.4 33.7 253 254 A R H 3< S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.701 89.2 73.7 -72.5 -6.0 21.0 47.4 30.4 254 255 A K T << S+ 0 0 89 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.796 106.3 36.7 -60.7 -26.0 23.4 45.1 32.4 255 256 A F T <4 S+ 0 0 36 -3,-2.4 -204,-0.4 -4,-0.4 2,-0.3 0.697 129.8 16.5-106.4 -24.8 20.3 42.9 32.9 256 257 A R S >< S- 0 0 0 -4,-1.4 3,-0.7 -206,-0.1 -1,-0.3 -0.954 77.6-119.1-149.0 137.4 18.5 43.1 29.6 257 258 A M T 3 S+ 0 0 48 -208,-0.5 -3,-0.1 -2,-0.3 -229,-0.1 -0.228 85.6 15.8 -65.4 148.3 19.6 44.3 26.2 258 259 A G T 3 + 0 0 14 1,-0.2 -1,-0.2 -5,-0.1 2,-0.2 0.600 69.2 177.4 79.7 10.0 18.1 47.2 24.3 259 260 A L < + 0 0 0 -3,-0.7 -40,-0.2 -10,-0.1 -1,-0.2 -0.361 67.2 22.0 -64.3 117.4 16.1 48.9 27.1 260 261 A I S S- 0 0 0 -42,-2.3 -41,-0.2 -2,-0.2 -40,-0.1 0.694 74.4-151.4 77.2 115.3 14.6 52.0 25.5 261 262 A Q + 0 0 41 -79,-0.1 2,-0.3 1,-0.0 -42,-0.1 0.642 66.3 29.5 -96.8 -17.1 14.3 51.6 21.7 262 263 A T S > S- 0 0 32 -80,-0.1 4,-1.9 -43,-0.1 5,-0.2 -0.925 73.0-115.4-141.6 162.4 14.5 55.2 20.5 263 264 A A H > S+ 0 0 23 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.860 116.0 53.9 -67.4 -29.7 16.0 58.6 21.3 264 265 A D H > S+ 0 0 79 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.896 105.1 52.7 -77.6 -30.2 12.5 60.1 21.8 265 266 A Q H > S+ 0 0 1 2,-0.2 4,-2.2 3,-0.2 -2,-0.2 0.911 110.7 49.3 -60.7 -40.9 11.6 57.4 24.3 266 267 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.958 112.9 47.0 -57.1 -48.7 14.9 58.4 26.1 267 268 A R H X S+ 0 0 61 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.912 108.7 53.8 -60.4 -40.0 13.7 62.0 25.8 268 269 A F H X S+ 0 0 11 -4,-3.3 4,-2.9 1,-0.2 -1,-0.2 0.909 102.9 58.7 -62.9 -39.3 10.3 61.1 27.1 269 270 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.868 104.8 49.4 -54.4 -43.0 12.0 59.4 30.2 270 271 A Y H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.941 112.0 48.9 -61.1 -50.7 13.6 62.7 31.2 271 272 A L H X S+ 0 0 49 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.916 113.4 47.5 -50.0 -48.9 10.2 64.5 30.8 272 273 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.941 115.2 43.3 -58.9 -51.1 8.5 61.8 32.9 273 274 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.921 114.1 51.3 -68.4 -39.6 11.1 61.8 35.7 274 275 A I H < S+ 0 0 25 -4,-3.0 4,-0.5 2,-0.2 -1,-0.2 0.902 114.8 42.4 -63.5 -39.2 11.3 65.6 35.8 275 276 A E H >X S+ 0 0 38 -4,-2.5 3,-1.6 -5,-0.2 4,-0.6 0.960 114.8 50.7 -69.3 -45.7 7.4 65.9 36.1 276 277 A G H 3X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.3 3,-0.3 0.792 93.8 72.6 -65.8 -26.4 7.2 63.1 38.6 277 278 A A H 3X S+ 0 0 10 -4,-2.0 4,-3.0 -5,-0.2 -1,-0.3 0.838 87.5 65.7 -56.3 -28.5 9.9 64.7 40.8 278 279 A K H <4>S+ 0 0 102 -3,-1.6 5,-2.2 -4,-0.5 -1,-0.2 0.965 106.1 41.0 -57.9 -47.4 7.3 67.3 41.8 279 280 A F H ><5S+ 0 0 41 -4,-0.6 3,-2.3 -3,-0.3 -2,-0.2 0.950 115.3 50.4 -60.8 -51.9 5.2 64.6 43.5 280 281 A I H 3<5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.901 106.1 57.9 -59.0 -36.1 8.4 62.9 45.1 281 282 A M T 3<5S- 0 0 87 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.432 131.0 -91.0 -81.5 9.0 9.5 66.3 46.3 282 283 A G T < 5S+ 0 0 59 -3,-2.3 2,-1.1 1,-0.2 -3,-0.2 0.508 91.2 117.4 104.1 5.0 6.2 66.7 48.3 283 284 A D > < + 0 0 68 -5,-2.2 3,-1.3 1,-0.2 4,-0.3 -0.741 31.2 171.6 -92.4 86.8 3.6 68.4 46.1 284 285 A S T >> + 0 0 72 -2,-1.1 3,-1.2 1,-0.2 4,-0.7 0.710 61.5 85.1 -69.7 -11.4 1.2 65.6 46.0 285 286 A S H 3> S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.771 76.7 66.6 -59.5 -24.0 -1.3 67.9 44.3 286 287 A V H <> S+ 0 0 4 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.860 89.0 66.6 -68.2 -25.8 0.2 67.1 40.9 287 288 A Q H <> S+ 0 0 42 -3,-1.2 4,-1.9 -4,-0.3 -1,-0.2 0.955 103.1 44.6 -55.0 -51.0 -1.0 63.5 41.2 288 289 A D H X S+ 0 0 108 -4,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.852 111.9 54.1 -61.2 -31.7 -4.6 64.7 40.9 289 290 A Q H X S+ 0 0 85 -4,-1.5 4,-3.1 2,-0.2 -1,-0.2 0.870 105.0 53.3 -71.5 -34.4 -3.6 67.1 38.1 290 291 A W H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.881 108.1 51.5 -61.5 -40.2 -2.1 64.2 36.1 291 292 A K H X>S+ 0 0 82 -4,-1.9 5,-1.0 -5,-0.2 4,-0.7 0.965 112.3 44.0 -67.9 -45.8 -5.3 62.4 36.5 292 293 A E H ><5S+ 0 0 146 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.991 116.6 47.4 -50.1 -62.3 -7.4 65.4 35.2 293 294 A L H 3<5S+ 0 0 93 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.782 104.4 61.2 -48.4 -37.2 -4.9 65.9 32.4 294 295 A S H 3<5S- 0 0 9 -4,-2.2 -1,-0.3 -106,-0.2 -2,-0.2 0.681 94.9-140.8 -68.9 -21.2 -4.9 62.3 31.5 295 296 A H T <<5 + 0 0 145 -3,-2.1 -145,-0.2 -4,-0.7 -3,-0.1 0.939 30.8 176.5 57.9 54.2 -8.6 62.3 30.7 296 297 A E < 0 0 13 -5,-1.0 -146,-3.6 -4,-0.1 -145,-0.4 0.883 360.0 360.0 -65.7 -39.5 -8.9 58.9 32.3 297 298 A D 0 0 167 -148,-0.2 -148,-0.1 -147,-0.1 -149,-0.0 -0.632 360.0 360.0 -78.9 360.0 -12.9 58.3 32.0