==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JAN-97 1AAX . COMPND 2 MOLECULE: PROTEIN TYROSINE PHOSPHATASE 1B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.A.PUIUS,Y.ZHAO,M.SULLIVAN,D.LAWRENCE,S.C.ALMO,Z.-Y.ZHANG . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 73.1 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 . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 0 1 1 1 2 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 0 114 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 120.2 69.4 15.2 20.7 2 3 A M H > + 0 0 12 241,-0.5 4,-2.5 238,-0.2 5,-0.1 0.722 360.0 48.6 -42.4 -45.5 66.9 16.8 18.3 3 4 A E H > S+ 0 0 98 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.952 115.1 44.0 -67.3 -45.1 68.6 20.2 17.8 4 5 A K H > S+ 0 0 165 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.968 118.3 45.8 -61.2 -50.8 72.0 18.7 17.0 5 6 A E H X S+ 0 0 38 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.862 106.7 57.9 -60.4 -39.3 70.4 16.1 14.8 6 7 A F H X S+ 0 0 13 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.935 108.0 49.3 -58.3 -41.1 68.2 18.8 13.2 7 8 A E H X S+ 0 0 80 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.940 110.6 47.9 -62.2 -51.8 71.5 20.5 12.2 8 9 A Q H X S+ 0 0 94 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.940 114.2 46.2 -55.8 -49.1 73.1 17.4 10.8 9 10 A I H X>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 4,-1.6 0.891 114.3 48.2 -61.5 -42.9 70.0 16.4 8.7 10 11 A D H <5S+ 0 0 52 -4,-2.3 3,-0.3 -5,-0.3 -2,-0.2 0.954 112.0 48.2 -63.4 -50.0 69.6 20.0 7.4 11 12 A K H <5S+ 0 0 152 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.792 115.7 45.2 -63.2 -29.5 73.3 20.3 6.4 12 13 A S H <5S- 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.718 104.0-130.2 -85.7 -22.2 73.1 16.9 4.7 13 14 A G T <5 + 0 0 64 -4,-1.6 3,-0.4 -3,-0.3 -3,-0.2 0.812 62.6 138.5 73.5 32.8 69.8 17.7 2.9 14 15 A S >< + 0 0 27 -5,-2.1 4,-2.6 -6,-0.2 5,-0.2 0.040 20.3 111.1-101.9 29.8 68.5 14.3 4.1 15 16 A W H > S+ 0 0 24 -6,-0.3 4,-2.5 1,-0.2 5,-0.2 0.888 81.0 53.1 -68.4 -34.5 64.9 15.2 5.2 16 17 A A H > S+ 0 0 65 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.930 113.5 41.3 -64.6 -47.3 63.6 13.1 2.3 17 18 A A H > S+ 0 0 53 2,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.921 115.6 49.6 -67.5 -46.1 65.6 10.0 3.2 18 19 A I H X S+ 0 0 28 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.926 113.7 46.7 -59.0 -46.3 65.0 10.4 7.0 19 20 A Y H X S+ 0 0 11 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.868 111.6 51.5 -63.6 -39.5 61.2 10.8 6.4 20 21 A Q H X S+ 0 0 90 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.839 104.7 56.1 -66.5 -34.6 61.2 7.8 4.0 21 22 A D H X S+ 0 0 94 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.915 106.3 51.8 -64.9 -37.5 63.0 5.6 6.6 22 23 A I H >X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 3,-0.5 0.946 108.8 49.3 -63.6 -44.7 60.1 6.4 9.0 23 24 A R H 3< S+ 0 0 125 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.879 109.6 54.5 -60.5 -36.9 57.5 5.4 6.4 24 25 A H H 3< S+ 0 0 164 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.781 112.8 39.4 -66.9 -34.7 59.5 2.2 5.9 25 26 A E H << S+ 0 0 115 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.511 89.4 122.4 -91.8 -11.3 59.5 1.1 9.6 26 27 A A < - 0 0 25 -4,-1.3 228,-0.1 -3,-0.3 224,-0.1 -0.162 70.0 -97.0 -55.5 147.3 55.9 2.2 10.2 27 28 A S - 0 0 38 223,-0.3 2,-0.4 229,-0.1 -1,-0.1 -0.214 28.6-156.3 -63.4 154.2 53.4 -0.3 11.5 28 29 A D + 0 0 149 229,-0.1 226,-0.1 226,-0.0 -1,-0.0 -0.939 23.2 162.5-136.7 107.0 51.0 -2.1 9.2 29 30 A F - 0 0 83 -2,-0.4 228,-0.1 1,-0.0 2,-0.0 -0.873 41.3 -88.5-122.2 159.5 47.8 -3.4 10.8 30 31 A P - 0 0 83 0, 0.0 22,-3.0 0, 0.0 23,-0.4 -0.317 22.3-168.4 -71.7 153.0 44.5 -4.5 9.2 31 32 A C > + 0 0 19 20,-0.3 4,-1.8 21,-0.1 20,-0.1 -0.479 32.5 146.8-131.5 49.7 41.6 -2.2 8.5 32 33 A R T 4 S+ 0 0 201 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.907 72.0 48.3 -57.0 -48.1 39.0 -5.0 7.7 33 34 A V T >4 S+ 0 0 31 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.913 108.4 54.5 -62.5 -40.2 36.1 -3.0 9.1 34 35 A A T 34 S+ 0 0 1 16,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.891 109.7 49.1 -59.2 -39.0 37.0 0.1 7.2 35 36 A K T 3< S+ 0 0 110 -4,-1.8 -1,-0.3 3,-0.1 -2,-0.2 0.390 79.2 123.5 -84.3 1.2 37.0 -1.9 4.0 36 37 A L S X S- 0 0 72 -3,-1.5 3,-1.8 -4,-0.3 4,-0.4 -0.368 71.1-122.3 -62.4 140.8 33.6 -3.5 4.5 37 38 A P G > S+ 0 0 114 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.899 110.8 60.0 -51.7 -41.6 31.4 -2.8 1.5 38 39 A K G 3 S+ 0 0 129 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.696 104.0 51.9 -62.4 -16.7 28.7 -1.2 3.7 39 40 A N G X S+ 0 0 0 -3,-1.8 3,-2.8 -6,-0.2 4,-0.4 0.451 74.1 104.8-100.5 1.0 31.3 1.3 4.9 40 41 A K G X S+ 0 0 123 -3,-1.7 3,-1.5 -4,-0.4 -1,-0.2 0.901 82.7 49.3 -46.2 -49.9 32.4 2.5 1.5 41 42 A N G 3 S+ 0 0 101 -4,-0.3 -1,-0.3 1,-0.3 48,-0.2 0.416 100.9 64.9 -75.5 3.6 30.4 5.8 1.8 42 43 A R G < S+ 0 0 32 -3,-2.8 2,-0.5 -8,-0.2 25,-0.5 0.425 88.7 80.4-102.5 -0.4 31.8 6.5 5.3 43 44 A N < - 0 0 20 -3,-1.5 3,-0.1 -4,-0.4 6,-0.1 -0.912 56.7-166.1-111.7 128.4 35.4 6.9 4.0 44 45 A R S S+ 0 0 47 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.912 82.5 34.1 -74.7 -41.4 36.5 10.2 2.4 45 46 A Y > - 0 0 74 3,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.963 67.5-145.8-123.0 129.8 39.7 8.7 1.0 46 47 A R T 3 S+ 0 0 164 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.840 102.3 47.2 -55.9 -36.2 40.1 5.1 -0.3 47 48 A D T 3 S+ 0 0 107 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.244 98.9 71.9 -94.8 10.0 43.7 5.1 1.0 48 49 A V < + 0 0 15 -3,-1.6 -3,-0.4 2,-0.0 -4,-0.1 -0.933 61.0 150.6-128.9 108.5 43.3 6.5 4.5 49 50 A S - 0 0 4 -2,-0.5 208,-0.6 -6,-0.1 2,-0.3 -0.925 45.1-107.9-136.5 157.1 41.6 4.1 6.9 50 51 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 206,-0.1 -0.694 37.0-114.9 -86.1 138.4 41.6 3.4 10.6 51 52 A F > - 0 0 2 204,-0.4 4,-0.9 -2,-0.3 3,-0.4 -0.449 24.1-123.5 -63.9 147.5 43.3 0.2 11.8 52 53 A D T >4 S+ 0 0 40 -22,-3.0 3,-0.6 1,-0.2 -21,-0.1 0.882 106.8 59.2 -62.3 -38.5 40.8 -2.2 13.4 53 54 A H T 34 S+ 0 0 105 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.846 117.5 28.1 -62.2 -33.0 42.7 -2.3 16.7 54 55 A S T 34 S+ 0 0 9 -3,-0.4 16,-2.7 201,-0.1 -1,-0.2 0.319 87.8 126.7-113.1 8.6 42.5 1.4 17.4 55 56 A R E << -A 69 0A 30 -4,-0.9 2,-0.5 -3,-0.6 14,-0.2 -0.260 62.7-116.1 -68.8 151.6 39.3 2.5 15.6 56 57 A I E - 0 0 9 12,-1.9 10,-0.5 10,-0.4 2,-0.5 -0.789 28.3-146.2 -87.0 126.7 36.6 4.4 17.6 57 58 A K E -A 65 0A 119 -2,-0.5 2,-0.2 8,-0.1 8,-0.2 -0.837 9.2-132.6 -97.7 131.1 33.4 2.4 17.7 58 59 A L - 0 0 4 6,-3.0 2,-1.6 -2,-0.5 39,-0.1 -0.576 27.3-113.3 -76.1 145.3 30.1 4.3 17.7 59 60 A H S S+ 0 0 122 -2,-0.2 2,-0.3 37,-0.1 -1,-0.1 -0.602 78.6 98.7 -84.7 83.5 27.8 3.1 20.4 60 61 A Q - 0 0 55 -2,-1.6 4,-0.1 1,-0.0 -2,-0.1 -0.963 67.9-135.7-162.0 151.8 25.0 1.5 18.3 61 62 A E S S+ 0 0 180 -2,-0.3 3,-0.1 2,-0.1 -1,-0.0 0.609 97.1 64.3 -88.5 -10.6 24.0 -2.0 17.1 62 63 A D S S- 0 0 115 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.984 125.0 -23.5 -76.3 -65.9 23.4 -0.9 13.5 63 64 A N - 0 0 19 2,-0.0 -1,-0.2 1,-0.0 -2,-0.1 -0.820 54.3-174.4-155.4 107.9 26.8 0.2 12.2 64 65 A D + 0 0 42 -2,-0.3 -6,-3.0 -3,-0.1 2,-0.3 0.287 44.5 124.3 -86.9 6.4 29.4 1.4 14.7 65 66 A Y E +A 57 0A 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.549 23.0 156.0 -80.9 134.7 32.0 2.5 12.1 66 67 A I E - 0 0 6 -10,-0.5 2,-2.1 -2,-0.3 -10,-0.4 -0.981 50.2-113.3-147.7 138.3 33.5 5.9 11.8 67 68 A N E S+ 0 0 0 -25,-0.5 17,-1.5 -2,-0.3 2,-0.3 -0.593 77.4 114.9 -75.4 83.8 36.9 6.8 10.1 68 69 A A E - B 0 83A 0 -2,-2.1 -12,-1.9 15,-0.2 2,-0.3 -0.979 46.9-157.4-153.5 143.0 38.5 7.8 13.4 69 70 A S E -AB 55 82A 0 13,-2.7 13,-2.5 -2,-0.3 2,-0.7 -0.954 17.6-130.6-127.1 145.7 41.5 6.3 15.5 70 71 A L E - B 0 81A 50 -16,-2.7 2,-1.0 -2,-0.3 11,-0.2 -0.853 16.8-160.7 -96.9 112.3 42.4 6.6 19.1 71 72 A I E - B 0 80A 0 9,-3.0 9,-1.6 -2,-0.7 2,-0.9 -0.850 12.7-169.8 -93.6 97.6 46.1 7.6 19.4 72 73 A K E - B 0 79A 104 -2,-1.0 2,-1.3 7,-0.2 7,-0.2 -0.806 8.1-162.5 -97.2 100.8 46.8 6.5 23.0 73 74 A M E >> - B 0 78A 11 5,-2.2 4,-1.5 -2,-0.9 5,-1.3 -0.677 7.6-175.6 -86.1 95.5 50.2 7.8 24.1 74 75 A E T 45S+ 0 0 144 -2,-1.3 -1,-0.2 2,-0.2 3,-0.2 0.919 79.3 43.0 -56.5 -53.3 51.0 5.7 27.1 75 76 A E T 45S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.916 118.4 43.6 -62.6 -47.7 54.3 7.3 28.1 76 77 A A T 45S- 0 0 2 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.671 102.3-134.3 -71.5 -19.8 53.1 10.9 27.6 77 78 A Q T <5 + 0 0 142 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.835 65.8 114.3 67.1 36.5 49.7 10.1 29.3 78 79 A R E < -B 73 0A 41 -5,-1.3 -5,-2.2 126,-0.0 2,-0.3 -0.987 46.0-163.2-138.4 144.3 47.7 11.8 26.6 79 80 A S E -B 72 0A 37 -2,-0.3 131,-0.8 -7,-0.2 2,-0.3 -0.922 4.3-173.8-125.7 153.4 45.3 10.6 24.0 80 81 A Y E -Bc 71 210A 0 -9,-1.6 -9,-3.0 -2,-0.3 2,-0.6 -0.962 20.8-137.4-140.1 153.2 43.9 12.1 20.8 81 82 A I E -Bc 70 211A 0 129,-2.6 131,-3.4 -2,-0.3 2,-0.5 -0.984 21.6-162.2-113.2 116.6 41.2 11.0 18.4 82 83 A L E +Bc 69 212A 1 -13,-2.5 -13,-2.7 -2,-0.6 2,-0.3 -0.916 19.8 163.7-101.2 130.0 42.3 11.6 14.8 83 84 A T E -Bc 68 213A 2 129,-2.1 131,-0.8 -2,-0.5 -15,-0.2 -0.894 37.2-102.9-143.0 163.3 39.6 11.6 12.3 84 85 A Q - 0 0 5 -17,-1.5 132,-0.3 -2,-0.3 131,-0.2 -0.451 55.6 -82.7 -80.3 163.7 38.9 12.6 8.7 85 86 A G - 0 0 0 130,-2.6 -1,-0.1 34,-0.3 -41,-0.1 -0.528 63.6-102.9 -66.3 126.0 36.9 15.7 7.9 86 87 A P - 0 0 2 0, 0.0 35,-2.7 0, 0.0 -1,-0.1 -0.145 32.1-131.1 -55.0 145.5 33.3 14.4 8.2 87 88 A L >> - 0 0 25 33,-0.2 3,-1.7 -45,-0.1 4,-0.7 -0.496 32.7 -95.8 -89.7 166.6 31.3 13.7 5.0 88 89 A P T 34 S+ 0 0 113 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.837 128.6 42.2 -52.9 -32.1 27.7 15.0 4.4 89 90 A N T 34 S+ 0 0 68 -48,-0.2 4,-0.2 1,-0.2 3,-0.1 0.496 112.2 53.1 -94.5 -4.2 26.4 11.6 5.7 90 91 A T T <> S+ 0 0 4 -3,-1.7 4,-2.2 2,-0.1 -1,-0.2 0.306 73.8 98.9-114.6 11.2 28.8 11.3 8.7 91 92 A C H X S+ 0 0 12 -4,-0.7 4,-2.2 -3,-0.3 5,-0.2 0.926 86.6 48.7 -63.3 -43.2 28.3 14.6 10.5 92 93 A G H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 111.3 50.1 -62.7 -39.5 25.9 13.0 12.9 93 94 A H H > S+ 0 0 12 2,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.868 107.8 55.5 -64.6 -39.8 28.4 10.1 13.6 94 95 A F H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.945 112.3 40.4 -58.3 -50.5 31.1 12.7 14.1 95 96 A W H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.808 111.1 57.7 -71.2 -26.6 29.1 14.4 16.9 96 97 A E H X S+ 0 0 12 -4,-1.9 4,-3.2 -5,-0.2 5,-0.2 0.921 108.0 48.3 -66.2 -42.2 28.0 11.1 18.3 97 98 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 6,-0.3 0.940 109.5 51.7 -62.0 -47.4 31.6 10.2 18.7 98 99 A V H <>S+ 0 0 0 -4,-2.2 5,-1.6 2,-0.2 4,-0.4 0.922 114.3 44.9 -56.4 -43.5 32.4 13.6 20.3 99 100 A W H ><5S+ 0 0 26 -4,-2.4 3,-1.5 3,-0.2 -2,-0.2 0.983 115.5 44.3 -65.2 -56.6 29.5 12.9 22.7 100 101 A E H 3<5S+ 0 0 38 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.832 115.1 47.5 -60.0 -36.2 30.3 9.3 23.5 101 102 A Q T 3<5S- 0 0 49 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.430 106.4-127.5 -85.7 -1.4 34.1 9.8 24.0 102 103 A K T < 5 + 0 0 131 -3,-1.5 106,-2.7 -4,-0.4 -3,-0.2 0.795 41.7 177.4 60.2 34.3 33.4 12.9 26.2 103 104 A S < - 0 0 4 -5,-1.6 -1,-0.2 -6,-0.3 107,-0.1 -0.380 22.4-167.5 -68.8 144.0 35.7 15.2 24.2 104 105 A R + 0 0 53 104,-0.5 67,-2.4 98,-0.4 2,-0.3 0.667 69.6 34.7-104.2 -24.7 35.8 18.8 25.2 105 106 A G E -d 171 0A 0 97,-0.4 106,-2.4 65,-0.2 2,-0.4 -0.944 56.8-157.2-135.9 155.0 37.6 20.2 22.2 106 107 A V E -de 172 211A 0 65,-2.3 67,-2.7 -2,-0.3 2,-0.6 -0.998 12.6-157.6-129.5 120.2 37.7 19.7 18.4 107 108 A V E -de 173 212A 0 104,-3.4 106,-2.8 -2,-0.4 2,-0.5 -0.920 7.6-169.4-103.9 117.0 40.8 20.9 16.5 108 109 A M E +de 174 213A 0 65,-3.0 67,-2.7 -2,-0.6 106,-0.2 -0.950 10.1 178.6-108.7 120.5 40.2 21.5 12.8 109 110 A L + 0 0 0 104,-2.4 69,-0.3 -2,-0.5 2,-0.2 0.380 61.2 53.7-104.5 4.4 43.3 22.0 10.7 110 111 A N S S- 0 0 1 103,-0.2 2,-0.3 104,-0.1 67,-0.1 -0.635 76.8-114.1-127.6-179.6 41.8 22.4 7.3 111 112 A R - 0 0 124 -2,-0.2 8,-0.3 67,-0.1 3,-0.1 -0.816 29.5-114.0-115.7 158.5 39.1 24.5 5.5 112 113 A V S S+ 0 0 33 -2,-0.3 7,-1.9 1,-0.2 8,-1.0 0.859 107.8 35.6 -58.7 -39.1 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47.1-138.7 -41.2 46.7 12.2 9.1 219 220 A G H > S+ 0 0 9 40,-0.2 4,-2.0 41,-0.2 5,-0.1 0.990 125.4 18.5 -73.7 -77.2 49.0 14.9 7.7 220 221 A R H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.896 129.1 54.8 -62.9 -38.0 48.4 18.2 9.4 221 222 A S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.883 107.1 49.0 -60.5 -45.8 46.7 16.2 12.3 222 223 A G H X S+ 0 0 0 -4,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.894 111.6 50.3 -61.8 -40.4 49.8 14.0 12.7 223 224 A T H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.919 110.6 49.1 -63.2 -47.2 52.0 17.2 12.8 224 225 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.968 115.5 43.1 -56.4 -55.8 49.8 18.8 15.4 225 226 A C H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.871 110.6 54.9 -62.5 -38.8 49.8 15.7 17.7 226 227 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.938 110.1 45.6 -61.7 -47.7 53.5 15.0 17.3 227 228 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.927 114.8 48.3 -61.3 -45.1 54.5 18.5 18.4 228 229 A D H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.943 113.1 46.2 -61.8 -49.5 52.1 18.5 21.3 229 230 A T H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.912 111.8 50.8 -60.6 -45.4 53.2 15.0 22.6 230 231 A C H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.897 112.5 47.9 -60.1 -39.5 57.0 15.8 22.3 231 232 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.948 112.0 48.1 -66.2 -46.3 56.4 19.0 24.2 232 233 A L H X S+ 0 0 24 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.918 109.9 54.4 -60.0 -42.7 54.4 17.2 26.9 233 234 A L H X S+ 0 0 14 -4,-2.9 4,-1.5 1,-0.2 5,-0.2 0.958 110.6 43.2 -57.9 -52.9 57.1 14.5 27.2 234 235 A M H X>S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 5,-1.2 0.780 111.2 58.0 -67.1 -20.3 59.9 17.0 27.8 235 236 A D H <5S+ 0 0 45 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.921 102.4 52.8 -71.8 -45.3 57.6 18.8 30.2 236 237 A K H <5S+ 0 0 113 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.896 124.3 27.8 -55.2 -43.8 57.1 15.7 32.4 237 238 A R H <5S- 0 0 140 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.604 93.3-136.9 -94.5 -17.4 60.8 15.3 32.7 238 239 A K T <5S+ 0 0 118 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.892 74.8 114.6 53.8 41.5 61.9 18.9 32.3 239 240 A D > < - 0 0 54 -5,-1.2 3,-2.0 -6,-0.2 4,-0.3 -0.762 48.3-174.0-143.6 89.0 64.5 17.3 30.1 240 241 A P G > S+ 0 0 39 0, 0.0 3,-1.5 0, 0.0 -238,-0.2 0.848 83.7 64.3 -56.3 -29.2 64.3 18.2 26.3 241 242 A S G 3 S+ 0 0 72 1,-0.3 -239,-0.0 -240,-0.1 -7,-0.0 0.616 86.4 69.7 -72.6 -10.7 67.1 15.7 25.6 242 243 A S G < S+ 0 0 42 -3,-2.0 2,-0.6 -8,-0.1 -1,-0.3 0.586 81.6 95.8 -81.4 -7.5 65.0 12.7 26.6 243 244 A V < - 0 0 8 -3,-1.5 2,-0.8 -4,-0.3 -241,-0.5 -0.762 53.2-169.7 -93.3 121.4 62.7 13.1 23.6 244 245 A D > - 0 0 61 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 -0.858 7.6-165.3-106.5 95.6 63.3 11.1 20.4 245 246 A I H > S+ 0 0 1 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.885 85.7 48.1 -50.3 -47.7 61.0 12.8 17.9 246 247 A K H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 110.5 51.1 -62.2 -45.8 61.2 10.0 15.3 247 248 A K H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 109.4 52.1 -57.7 -42.7 60.5 7.3 17.9 248 249 A V H X S+ 0 0 14 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.940 108.9 49.2 -61.2 -46.7 57.5 9.2 19.1 249 250 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.895 110.0 51.1 -61.0 -40.9 56.1 9.5 15.5 250 251 A L H < S+ 0 0 30 -4,-2.4 4,-0.4 2,-0.2 -223,-0.3 0.895 108.3 52.9 -64.4 -37.0 56.6 5.8 15.0 251 252 A E H >< S+ 0 0 61 -4,-2.2 3,-1.5 1,-0.2 4,-0.4 0.946 109.8 47.7 -62.4 -46.1 54.7 5.1 18.3 252 253 A M H >X S+ 0 0 1 -4,-2.3 3,-2.1 1,-0.3 4,-0.9 0.877 103.7 62.6 -61.3 -39.5 51.8 7.2 17.1 253 254 A R T 3< S+ 0 0 12 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.567 87.4 70.8 -65.4 -8.6 51.8 5.4 13.7 254 255 A K T <4 S+ 0 0 87 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.748 105.7 41.8 -74.4 -22.9 51.0 2.2 15.6 255 256 A F T <4 S+ 0 0 36 -3,-2.1 -204,-0.4 -4,-0.4 2,-0.3 0.706 128.1 10.1 -96.5 -27.0 47.6 3.8 16.1 256 257 A R S >< S- 0 0 0 -4,-0.9 3,-0.7 -206,-0.1 -1,-0.3 -0.947 79.0-111.5-155.0 137.7 46.8 5.4 12.7 257 258 A M T 3 S+ 0 0 50 -208,-0.6 -3,-0.1 -2,-0.3 -229,-0.1 -0.248 87.3 12.9 -68.3 152.6 48.5 5.2 9.3 258 259 A G T 3 + 0 0 14 1,-0.2 2,-0.2 -5,-0.1 -1,-0.2 0.549 68.8 179.5 60.2 21.6 50.4 8.0 7.5 259 260 A L < + 0 0 1 -3,-0.7 -40,-0.2 -10,-0.1 -1,-0.2 -0.336 68.2 18.7 -61.6 118.7 50.8 10.4 10.4 260 261 A I S S- 0 0 0 -42,-2.4 -41,-0.2 -2,-0.2 -40,-0.1 0.698 76.1-153.0 81.0 111.6 52.7 13.4 8.9 261 262 A Q + 0 0 59 -79,-0.1 2,-0.3 1,-0.1 -42,-0.1 0.555 63.7 36.8 -94.4 -10.5 52.5 13.3 5.2 262 263 A T S > S- 0 0 28 -43,-0.1 4,-1.7 -80,-0.1 3,-0.3 -0.973 73.9-118.1-141.1 158.1 55.6 15.1 3.9 263 264 A A H > S+ 0 0 21 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.841 115.7 55.8 -62.8 -31.1 59.3 15.4 4.8 264 265 A D H > S+ 0 0 82 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.862 102.8 53.4 -70.7 -34.1 58.8 19.1 5.3 265 266 A Q H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.885 109.4 50.6 -64.8 -37.6 56.0 18.6 7.9 266 267 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.964 111.5 47.1 -62.7 -49.6 58.4 16.4 9.7 267 268 A R H X S+ 0 0 67 -4,-2.4 4,-2.1 1,-0.3 -2,-0.2 0.885 110.2 52.9 -59.0 -39.9 61.1 19.1 9.6 268 269 A F H X S+ 0 0 11 -4,-2.8 4,-2.9 1,-0.2 -1,-0.3 0.900 103.8 57.1 -64.4 -38.0 58.5 21.6 10.7 269 270 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.931 106.3 49.8 -57.0 -45.4 57.7 19.3 13.7 270 271 A Y H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.920 111.3 49.1 -58.1 -47.8 61.3 19.5 14.8 271 272 A L H X S+ 0 0 48 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.938 111.6 48.4 -57.8 -48.7 61.2 23.3 14.5 272 273 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.916 113.7 46.6 -59.9 -44.5 58.0 23.6 16.5 273 274 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.945 112.5 48.8 -65.8 -45.6 59.3 21.3 19.3 274 275 A I H < S+ 0 0 31 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.908 116.6 43.3 -61.1 -42.0 62.7 23.1 19.5 275 276 A E H >< S+ 0 0 42 -4,-2.6 3,-1.6 -5,-0.2 4,-0.5 0.941 113.1 51.5 -70.0 -44.0 61.0 26.5 19.7 276 277 A G H >X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.3 3,-1.2 0.813 94.6 73.2 -62.2 -29.4 58.4 25.2 22.2 277 278 A A H 3X S+ 0 0 15 -4,-2.2 4,-2.7 1,-0.3 -1,-0.3 0.779 85.8 66.4 -55.5 -28.7 61.1 23.8 24.4 278 279 A K H <4>S+ 0 0 104 -3,-1.6 5,-2.3 -4,-0.5 -1,-0.3 0.883 105.2 41.3 -61.1 -41.0 61.9 27.4 25.4 279 280 A F H X45S+ 0 0 47 -3,-1.2 3,-2.1 -4,-0.5 -2,-0.2 0.956 113.8 52.2 -70.6 -52.0 58.6 27.8 27.1 280 281 A I H 3<5S+ 0 0 7 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.887 107.3 54.8 -51.5 -42.9 58.7 24.3 28.7 281 282 A M T 3<5S- 0 0 93 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.307 132.3 -77.8 -80.5 11.5 62.2 25.0 30.1 282 283 A G T < 5S+ 0 0 60 -3,-2.1 2,-1.3 1,-0.1 3,-0.2 0.353 95.7 113.6 117.8 -10.7 61.3 28.2 32.0 283 284 A D > < + 0 0 71 -5,-2.3 3,-1.5 1,-0.2 4,-0.3 -0.587 29.9 165.0 -96.0 76.0 61.0 31.1 29.6 284 285 A S T > + 0 0 78 -2,-1.3 3,-1.6 1,-0.3 4,-0.4 0.771 65.7 71.6 -61.2 -27.3 57.2 31.7 29.9 285 286 A S T >> S+ 0 0 72 1,-0.3 4,-1.2 -3,-0.2 3,-0.5 0.715 79.4 76.6 -63.5 -19.4 57.6 35.2 28.2 286 287 A V H <> S+ 0 0 2 -3,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.836 83.7 66.6 -61.9 -27.4 58.2 33.4 24.9 287 288 A Q H <> S+ 0 0 43 -3,-1.6 4,-1.6 -4,-0.3 -1,-0.2 0.913 100.1 47.0 -60.4 -44.7 54.5 32.7 24.7 288 289 A D H <> S+ 0 0 95 -3,-0.5 4,-2.1 -4,-0.4 -1,-0.2 0.845 108.9 57.6 -67.0 -29.7 53.6 36.4 24.3 289 290 A Q H X S+ 0 0 91 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.861 104.5 49.8 -67.6 -38.5 56.3 36.6 21.6 290 291 A W H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.877 108.4 54.5 -65.3 -39.2 54.7 33.9 19.5 291 292 A K H X>S+ 0 0 93 -4,-1.6 5,-0.8 2,-0.2 4,-0.8 0.935 112.0 43.2 -59.7 -45.2 51.4 35.8 19.9 292 293 A E H ><5S+ 0 0 112 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.961 115.5 48.2 -65.0 -51.5 53.1 39.0 18.5 293 294 A L H 3<5S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.689 105.3 59.3 -62.5 -25.0 54.9 37.2 15.7 294 295 A S H 3<5S- 0 0 3 -4,-1.7 -1,-0.3 -106,-0.2 -2,-0.2 0.719 93.6-146.0 -78.0 -21.4 51.8 35.3 14.6 295 296 A H T <<5 + 0 0 135 -3,-1.2 -3,-0.1 -4,-0.8 -2,-0.1 0.916 31.2 168.8 56.3 51.1 50.0 38.6 13.9 296 297 A E < 0 0 5 -5,-0.8 -146,-2.9 -146,-0.1 -144,-0.2 0.578 360.0 360.0 -71.0 -12.5 46.6 37.2 15.0 297 298 A D 0 0 153 -148,-0.2 -148,-0.1 -147,-0.1 0, 0.0 -0.566 360.0 360.0 -78.1 360.0 44.8 40.5 15.1