==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (HYDROLASE/PEPTIDE) 21-APR-95 1PTV . COMPND 2 MOLECULE: PROTEIN TYROSINE PHOSPHATASE 1B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.BARFORD,Z.JIA . 298 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 71.8 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 13.4 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 . 27 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 29.9 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 2 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 95 0, 0.0 4,-1.3 0, 0.0 240,-0.1 0.000 360.0 360.0 360.0 150.3 69.4 16.5 20.6 2 3 A M H > + 0 0 6 2,-0.2 4,-2.5 1,-0.2 272,-0.1 0.729 360.0 57.9 -82.5 -25.7 66.7 16.9 18.0 3 4 A E H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.826 104.3 47.7 -73.5 -35.8 68.3 20.2 17.1 4 5 A K H > S+ 0 0 150 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.941 115.9 46.5 -67.6 -47.5 71.7 18.7 16.3 5 6 A E H X S+ 0 0 35 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.914 109.2 54.7 -59.7 -45.2 69.9 16.1 14.2 6 7 A F H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.961 111.3 44.6 -52.4 -52.4 67.8 18.8 12.6 7 8 A E H X S+ 0 0 114 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.857 112.3 51.9 -61.4 -37.9 71.0 20.6 11.5 8 9 A Q H X S+ 0 0 113 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.937 112.9 44.0 -64.8 -47.2 72.7 17.4 10.3 9 10 A I H <>S+ 0 0 4 -4,-2.8 5,-2.8 2,-0.2 6,-0.3 0.874 117.1 47.2 -66.2 -40.7 69.7 16.5 8.1 10 11 A D H ><5S+ 0 0 58 -4,-2.4 3,-1.8 -5,-0.3 -2,-0.2 0.964 110.9 49.4 -66.1 -51.1 69.4 20.0 6.9 11 12 A K H 3<5S+ 0 0 151 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.944 119.4 39.9 -53.6 -49.1 73.1 20.4 6.1 12 13 A S T 3<5S- 0 0 59 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.390 106.2-132.6 -82.2 3.1 72.9 17.1 4.3 13 14 A G T < 5 + 0 0 60 -3,-1.8 -3,-0.2 1,-0.1 3,-0.2 0.900 58.7 139.5 45.7 51.8 69.6 17.9 2.8 14 15 A S >< + 0 0 37 -5,-2.8 4,-2.2 1,-0.1 5,-0.2 0.028 16.8 116.9-119.1 37.2 68.1 14.5 3.7 15 16 A W H > S+ 0 0 21 -6,-0.3 4,-2.2 1,-0.2 5,-0.2 0.860 77.7 58.3 -66.9 -33.0 64.6 15.2 4.9 16 17 A A H > S+ 0 0 56 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 109.9 41.5 -60.4 -46.7 63.2 13.1 1.9 17 18 A A H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 112.5 53.3 -66.8 -50.5 65.1 10.0 2.9 18 19 A I H X S+ 0 0 23 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.941 113.9 44.1 -50.3 -49.1 64.4 10.4 6.6 19 20 A Y H X S+ 0 0 15 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.802 109.0 55.3 -68.0 -36.6 60.7 10.6 5.7 20 21 A Q H X S+ 0 0 113 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.886 107.2 53.5 -63.8 -37.4 60.9 7.7 3.2 21 22 A D H X S+ 0 0 81 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.916 107.8 48.1 -63.3 -42.5 62.3 5.6 6.2 22 23 A I H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.954 111.2 50.5 -61.7 -48.2 59.4 6.5 8.4 23 24 A R H < S+ 0 0 132 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.898 113.9 47.2 -56.4 -41.6 56.9 5.6 5.7 24 25 A H H < S+ 0 0 165 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 114.8 42.4 -74.2 -32.2 58.8 2.3 5.3 25 26 A E H < S+ 0 0 126 -4,-2.4 -1,-0.2 -3,-0.1 -2,-0.2 0.609 88.5 122.5 -86.8 -13.6 59.1 1.4 9.0 26 27 A A S < S- 0 0 25 -4,-1.9 228,-0.1 -5,-0.2 224,-0.1 -0.139 70.1-102.0 -55.2 141.5 55.4 2.4 9.7 27 28 A S - 0 0 39 223,-0.3 2,-0.4 229,-0.1 -1,-0.1 -0.160 28.8-157.5 -55.8 157.4 53.1 -0.2 11.2 28 29 A D + 0 0 143 229,-0.1 226,-0.1 226,-0.0 -1,-0.0 -0.920 19.9 167.4-142.9 105.6 50.5 -1.8 8.9 29 30 A F - 0 0 81 -2,-0.4 228,-0.1 1,-0.1 226,-0.0 -0.855 42.0 -87.5-117.3 159.1 47.5 -3.2 10.6 30 31 A P - 0 0 59 0, 0.0 22,-2.7 0, 0.0 23,-0.4 -0.304 24.1-165.7 -69.1 155.4 44.3 -4.4 9.0 31 32 A C > + 0 0 18 20,-0.3 4,-1.4 21,-0.1 20,-0.1 -0.499 32.3 149.7-130.7 53.0 41.4 -2.0 8.3 32 33 A R T 4 S+ 0 0 157 1,-0.2 3,-0.2 2,-0.2 4,-0.2 0.901 70.5 46.0 -53.7 -55.6 38.8 -4.7 7.7 33 34 A V T >4 S+ 0 0 31 1,-0.2 3,-2.1 2,-0.2 -1,-0.2 0.922 108.0 55.8 -59.3 -42.8 35.8 -2.8 8.9 34 35 A A T 34 S+ 0 0 1 16,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.844 110.3 49.7 -57.9 -34.5 36.7 0.4 7.0 35 36 A K T 3< S+ 0 0 119 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.364 79.6 119.1 -86.7 -0.7 36.7 -1.8 3.9 36 37 A L S X S- 0 0 64 -3,-2.1 3,-2.4 -4,-0.2 4,-0.4 -0.468 73.5-122.3 -65.7 139.6 33.3 -3.4 4.5 37 38 A P G > S+ 0 0 122 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.786 110.0 61.6 -54.8 -31.3 31.1 -2.6 1.5 38 39 A K G 3 S+ 0 0 127 1,-0.2 3,-0.1 2,-0.1 -4,-0.1 0.635 104.0 50.4 -70.8 -12.4 28.5 -1.0 3.8 39 40 A N G X S+ 0 0 0 -3,-2.4 3,-2.2 -6,-0.2 4,-0.3 0.416 75.5 104.0-105.9 3.5 31.0 1.6 4.9 40 41 A K G X S+ 0 0 175 -3,-0.9 3,-1.7 -4,-0.4 -1,-0.1 0.915 82.5 48.4 -52.2 -47.0 32.2 2.8 1.5 41 42 A N G 3 S+ 0 0 104 -4,-0.3 -1,-0.3 1,-0.3 48,-0.2 0.235 102.2 66.2 -79.8 10.7 30.2 6.1 1.7 42 43 A R G < S+ 0 0 24 -3,-2.2 25,-0.5 -8,-0.2 2,-0.5 0.371 89.6 76.4-107.2 -1.3 31.6 6.7 5.2 43 44 A N < - 0 0 25 -3,-1.7 3,-0.1 -4,-0.3 6,-0.1 -0.954 59.6-163.9-115.1 130.4 35.1 7.1 4.0 44 45 A R S S+ 0 0 50 -2,-0.5 2,-0.5 1,-0.2 -1,-0.1 0.887 82.1 34.8 -74.8 -42.8 36.3 10.3 2.2 45 46 A Y > - 0 0 34 3,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.969 67.7-146.4-123.4 130.4 39.4 8.8 0.8 46 47 A R T 3 S+ 0 0 188 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.816 102.2 48.0 -57.6 -34.5 39.8 5.2 -0.4 47 48 A D T 3 S+ 0 0 64 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.216 98.6 74.6 -94.8 5.5 43.5 5.2 0.8 48 49 A V < + 0 0 3 -3,-1.7 -3,-0.4 251,-0.1 -4,-0.2 -0.876 60.9 150.1-126.3 108.6 42.9 6.6 4.3 49 50 A S - 0 0 3 -2,-0.4 208,-0.6 -6,-0.1 2,-0.3 -0.883 45.4-109.4-135.5 158.8 41.4 4.3 6.9 50 51 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 206,-0.1 -0.679 38.3-118.2 -85.7 136.6 41.3 3.5 10.6 51 52 A F > - 0 0 1 204,-0.4 4,-1.0 -2,-0.3 3,-0.3 -0.488 23.7-122.1 -68.3 151.1 43.0 0.3 11.7 52 53 A D T 4 S+ 0 0 25 -22,-2.7 3,-0.5 1,-0.2 -1,-0.1 0.885 107.4 60.5 -63.2 -38.8 40.5 -2.0 13.3 53 54 A H T 4 S+ 0 0 107 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.853 118.7 25.4 -61.8 -34.1 42.5 -2.2 16.5 54 55 A S T 4 S+ 0 0 10 -3,-0.3 16,-2.7 201,-0.1 -1,-0.2 0.378 88.6 126.3-110.9 3.1 42.3 1.5 17.2 55 56 A R E < -A 69 0A 30 -4,-1.0 2,-0.5 -3,-0.5 14,-0.3 -0.174 63.1-113.9 -62.5 153.2 39.1 2.7 15.4 56 57 A I E - 0 0 10 12,-1.7 10,-0.6 10,-0.4 2,-0.5 -0.838 28.5-146.2 -91.8 128.5 36.5 4.5 17.3 57 58 A K E -A 65 0A 114 -2,-0.5 8,-0.2 8,-0.1 2,-0.2 -0.852 7.3-134.2 -98.0 128.0 33.3 2.6 17.6 58 59 A L - 0 0 5 6,-2.7 2,-0.6 -2,-0.5 39,-0.0 -0.554 17.9-128.8 -76.6 145.7 30.0 4.4 17.6 59 60 A H S S+ 0 0 127 -2,-0.2 2,-0.4 37,-0.1 -1,-0.1 -0.335 70.5 118.3 -89.5 43.1 27.6 3.2 20.3 60 61 A Q - 0 0 40 -2,-0.6 -2,-0.1 1,-0.0 77,-0.0 -0.914 65.9-139.3-111.2 143.6 24.8 2.7 17.9 61 62 A E S S+ 0 0 213 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 0.102 94.4 65.1 -86.5 27.2 23.3 -0.7 17.3 62 63 A D S S- 0 0 118 1,-0.2 2,-0.4 0, 0.0 -1,-0.1 0.819 123.0 -24.1-111.1 -68.6 23.1 0.1 13.6 63 64 A N - 0 0 12 2,-0.1 -1,-0.2 -24,-0.0 -2,-0.1 -0.904 54.7-163.4-151.7 110.1 26.6 0.5 12.1 64 65 A D + 0 0 51 -2,-0.4 -6,-2.7 -3,-0.1 2,-0.4 0.210 49.0 124.3 -80.3 9.5 29.2 1.5 14.6 65 66 A Y E +A 57 0A 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.614 23.6 155.3 -86.3 134.6 31.7 2.7 12.0 66 67 A I E - 0 0 6 -10,-0.6 2,-1.9 -2,-0.4 -10,-0.4 -0.987 50.4-114.1-145.4 137.4 33.3 6.1 11.7 67 68 A N E S+ 0 0 1 -25,-0.5 17,-1.6 -2,-0.3 2,-0.3 -0.627 77.6 114.5 -74.8 86.1 36.6 6.9 10.0 68 69 A A E - B 0 83A 0 -2,-1.9 -12,-1.7 15,-0.2 2,-0.3 -0.964 47.1-157.5-155.6 150.3 38.3 7.8 13.3 69 70 A S E -AB 55 82A 0 13,-2.9 13,-2.6 -2,-0.3 2,-0.7 -0.971 17.7-131.0-135.6 143.9 41.2 6.5 15.4 70 71 A L E - B 0 81A 47 -16,-2.7 2,-0.9 -2,-0.3 11,-0.2 -0.849 18.2-158.4 -97.9 114.7 42.2 6.8 19.0 71 72 A I E - B 0 80A 1 9,-3.2 9,-1.6 -2,-0.7 2,-0.9 -0.858 12.6-168.5 -92.7 103.5 45.9 7.7 19.2 72 73 A K E - B 0 79A 125 -2,-0.9 2,-1.2 7,-0.2 7,-0.2 -0.804 7.1-162.9-104.0 101.2 46.7 6.6 22.7 73 74 A M E >> - B 0 78A 12 5,-2.0 5,-1.5 -2,-0.9 4,-1.3 -0.683 6.9-174.6 -88.8 96.2 50.1 7.9 23.8 74 75 A E T 45S+ 0 0 167 -2,-1.2 3,-0.4 2,-0.2 -1,-0.2 0.936 78.5 40.7 -53.9 -61.1 51.1 5.8 26.7 75 76 A E T 45S+ 0 0 111 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.910 120.0 44.0 -61.4 -42.8 54.3 7.4 27.9 76 77 A A T 45S- 0 0 3 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.677 101.9-136.9 -76.3 -16.1 53.1 11.0 27.4 77 78 A Q T <5 + 0 0 165 -4,-1.3 2,-0.3 -3,-0.4 -3,-0.2 0.922 62.5 116.6 60.5 46.2 49.8 10.1 29.0 78 79 A R E < -B 73 0A 43 -5,-1.5 -5,-2.0 2,-0.0 2,-0.3 -0.993 44.8-161.6-144.6 137.7 47.7 11.9 26.4 79 80 A S E -B 72 0A 35 -2,-0.3 131,-0.7 -7,-0.2 2,-0.3 -0.873 7.0-178.1-116.0 155.6 45.1 10.6 23.9 80 81 A Y E -Bc 71 210A 0 -9,-1.6 -9,-3.2 -2,-0.3 2,-0.6 -0.973 22.5-135.2-145.1 154.8 43.7 12.2 20.7 81 82 A I E -Bc 70 211A 0 129,-2.7 131,-3.2 -2,-0.3 2,-0.5 -0.966 19.8-161.0-111.6 115.8 41.1 11.0 18.3 82 83 A L E +Bc 69 212A 0 -13,-2.6 -13,-2.9 -2,-0.6 2,-0.3 -0.891 20.2 164.2 -97.6 137.0 42.1 11.6 14.7 83 84 A T E -Bc 68 213A 3 129,-1.6 131,-0.8 -2,-0.5 -15,-0.2 -0.932 35.9-104.4-144.9 160.1 39.3 11.6 12.1 84 85 A Q - 0 0 5 -17,-1.6 132,-0.3 -2,-0.3 131,-0.2 -0.355 56.2 -75.9 -76.7 171.7 38.7 12.7 8.6 85 86 A G - 0 0 0 130,-3.0 -1,-0.1 34,-0.3 130,-0.1 -0.545 64.3-103.8 -70.8 121.9 36.7 15.7 7.6 86 87 A P - 0 0 2 0, 0.0 35,-2.7 0, 0.0 -1,-0.1 -0.101 32.6-136.5 -47.9 142.2 33.1 14.7 8.2 87 88 A L >> - 0 0 25 33,-0.2 3,-1.7 -45,-0.1 4,-0.7 -0.532 30.8 -98.0 -95.9 168.8 31.1 13.9 5.0 88 89 A P T 34 S+ 0 0 113 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.866 127.5 44.0 -61.0 -27.9 27.5 15.1 4.6 89 90 A N T 34 S+ 0 0 67 -48,-0.2 4,-0.2 1,-0.2 3,-0.1 0.522 113.2 52.4 -93.3 -0.5 26.2 11.7 5.7 90 91 A T T <> S+ 0 0 6 -3,-1.7 4,-2.5 2,-0.1 -1,-0.2 0.351 74.9 95.1-117.2 9.3 28.6 11.4 8.7 91 92 A C H X S+ 0 0 11 -4,-0.7 4,-2.0 -3,-0.4 5,-0.2 0.853 88.3 50.1 -68.8 -34.3 28.1 14.7 10.6 92 93 A G H > S+ 0 0 3 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 111.8 48.2 -67.4 -41.3 25.7 13.1 12.9 93 94 A H H > S+ 0 0 8 2,-0.2 4,-3.2 -4,-0.2 -2,-0.2 0.902 109.7 53.6 -59.5 -48.1 28.1 10.2 13.5 94 95 A F H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.910 113.2 41.7 -55.2 -49.0 31.0 12.8 14.1 95 96 A W H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.842 112.3 55.6 -72.5 -28.4 28.9 14.6 16.8 96 97 A E H X S+ 0 0 15 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.958 107.7 49.1 -64.6 -45.9 27.8 11.2 18.2 97 98 A M H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 6,-0.2 0.934 109.7 52.2 -57.9 -48.0 31.4 10.2 18.6 98 99 A V H <>S+ 0 0 0 -4,-2.1 5,-1.5 2,-0.2 4,-0.4 0.878 113.1 44.5 -56.6 -45.2 32.2 13.5 20.4 99 100 A W H ><5S+ 0 0 26 -4,-2.1 3,-1.6 3,-0.2 -2,-0.2 0.990 116.6 44.5 -64.9 -53.9 29.3 13.0 22.8 100 101 A E H 3<5S+ 0 0 34 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.874 115.6 46.2 -58.6 -44.2 30.2 9.3 23.5 101 102 A Q T 3<5S- 0 0 46 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.452 107.5-127.4 -77.2 -6.1 33.9 9.9 23.9 102 103 A K T < 5 + 0 0 126 -3,-1.6 106,-2.9 -4,-0.4 -3,-0.2 0.782 42.4 175.1 65.8 30.5 33.3 12.9 26.1 103 104 A S < - 0 0 3 -5,-1.5 -1,-0.2 -6,-0.2 107,-0.1 -0.431 24.3-167.5 -68.9 145.4 35.5 15.3 24.1 104 105 A R + 0 0 50 104,-0.5 67,-2.2 98,-0.4 2,-0.3 0.619 69.5 34.8-106.0 -21.5 35.5 18.9 25.2 105 106 A G E -d 171 0A 0 97,-0.3 106,-2.1 65,-0.2 2,-0.4 -0.950 55.7-157.1-139.9 156.4 37.3 20.3 22.1 106 107 A V E -de 172 211A 0 65,-2.3 67,-2.4 -2,-0.3 2,-0.6 -0.996 12.0-155.6-132.5 125.7 37.6 19.8 18.3 107 108 A V E -de 173 212A 0 104,-2.8 106,-2.4 -2,-0.4 2,-0.6 -0.925 9.0-168.1-106.8 115.1 40.7 21.0 16.4 108 109 A M E +de 174 213A 0 65,-3.0 67,-3.1 -2,-0.6 106,-0.2 -0.961 10.4 178.3-107.1 120.5 40.0 21.6 12.8 109 110 A L + 0 0 0 104,-2.3 2,-0.2 -2,-0.6 69,-0.2 0.274 60.1 52.4-106.0 13.0 43.1 22.1 10.7 110 111 A N S S- 0 0 1 103,-0.2 2,-0.3 104,-0.1 67,-0.1 -0.732 76.3-110.9-135.2-176.6 41.5 22.6 7.3 111 112 A R - 0 0 95 -2,-0.2 8,-0.2 67,-0.1 3,-0.1 -0.821 27.0-119.1-116.8 156.2 38.9 24.6 5.5 112 113 A V S S+ 0 0 33 -2,-0.3 7,-2.5 1,-0.2 8,-1.1 0.894 107.4 37.9 -58.5 -43.6 35.6 23.3 4.1 113 114 A M E S+I 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22.6 29.1 202 203 A S T 3 S+ 0 0 4 40,-0.1 42,-2.2 3,-0.1 4,-0.7 0.615 82.4 52.3-141.1 -34.8 46.5 12.4 9.0 219 220 A G H > S+ 0 0 0 40,-0.2 4,-1.8 41,-0.2 43,-0.1 0.990 125.3 14.8 -73.9 -78.7 48.6 15.2 7.4 220 221 A R H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.866 129.7 56.6 -64.1 -38.6 48.1 18.4 9.3 221 222 A S H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 106.7 47.6 -57.4 -52.6 46.4 16.4 12.1 222 223 A G H X S+ 0 0 0 -4,-0.7 4,-3.2 2,-0.2 5,-0.2 0.901 111.3 52.8 -55.9 -43.2 49.5 14.2 12.6 223 224 A T H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.952 109.3 47.7 -58.3 -51.0 51.7 17.3 12.6 224 225 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.946 116.7 43.5 -55.4 -52.9 49.6 19.0 15.3 225 226 A C H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.870 109.8 54.4 -64.9 -40.9 49.6 15.8 17.5 226 227 A L H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.945 110.3 46.5 -59.6 -50.0 53.3 15.0 17.0 227 228 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.934 113.7 49.4 -58.5 -45.9 54.4 18.5 18.2 228 229 A 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T <5S+ 0 0 107 -4,-1.8 -3,-0.2 1,-0.1 -4,-0.1 0.904 74.7 126.3 57.5 45.3 62.1 19.1 31.6 239 240 A D > < + 0 0 68 -5,-1.5 3,-2.0 -6,-0.2 4,-0.2 -0.664 36.1 175.7-139.2 79.6 64.4 17.2 29.3 240 241 A P G > S+ 0 0 21 0, 0.0 3,-1.3 0, 0.0 -238,-0.1 0.787 81.4 64.8 -52.4 -28.2 64.1 18.0 25.6 241 242 A S G 3 S+ 0 0 68 1,-0.3 -7,-0.0 -3,-0.1 -2,-0.0 0.648 88.3 65.0 -73.6 -15.1 67.0 15.6 24.9 242 243 A S G < S+ 0 0 51 -3,-2.0 2,-0.6 -8,-0.1 -1,-0.3 0.478 85.5 97.7 -83.7 -6.7 65.1 12.6 26.0 243 244 A V < - 0 0 12 -3,-1.3 2,-0.7 -4,-0.2 -13,-0.0 -0.804 51.9-170.2 -94.1 124.0 62.7 13.1 23.1 244 245 A D > - 0 0 77 -2,-0.6 4,-2.2 1,-0.2 5,-0.1 -0.901 4.5-167.9-109.1 106.4 63.1 11.2 19.9 245 246 A I H > S+ 0 0 1 -2,-0.7 4,-2.7 2,-0.2 5,-0.2 0.909 85.2 49.2 -63.6 -45.8 60.7 12.8 17.3 246 247 A K H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 112.0 49.7 -62.2 -40.6 61.0 10.0 14.7 247 248 A K H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 111.2 49.8 -63.7 -40.1 60.4 7.4 17.3 248 249 A V H X S+ 0 0 15 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.912 109.2 50.3 -66.1 -42.5 57.3 9.4 18.6 249 250 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.913 110.6 52.4 -62.0 -40.2 55.8 9.7 15.1 250 251 A L H < S+ 0 0 34 -4,-2.3 -223,-0.3 1,-0.2 4,-0.3 0.866 105.9 50.9 -65.7 -41.8 56.3 6.0 14.7 251 252 A D H >< S+ 0 0 54 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.881 111.0 51.5 -62.7 -35.0 54.5 5.1 17.9 252 253 A M H >X S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.2 4,-0.9 0.874 100.4 61.1 -68.2 -37.5 51.7 7.3 16.7 253 254 A R T 3< S+ 0 0 13 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.515 90.0 70.2 -68.5 -2.8 51.6 5.5 13.3 254 255 A K T <4 S+ 0 0 88 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.677 105.8 41.7 -78.3 -22.5 50.7 2.2 15.2 255 256 A F T <4 S+ 0 0 36 -3,-1.8 -204,-0.4 1,-0.3 2,-0.3 0.663 130.0 7.7 -98.7 -23.0 47.3 3.9 15.9 256 257 A R S >< S- 0 0 0 -4,-0.9 3,-0.6 -206,-0.1 -1,-0.3 -0.915 77.2-113.6-160.5 139.6 46.6 5.5 12.5 257 258 A M T 3 S+ 0 0 47 -208,-0.6 -3,-0.1 -2,-0.3 -229,-0.1 -0.203 86.6 16.3 -70.6 159.0 48.2 5.3 9.1 258 259 A G T 3 + 0 0 15 1,-0.2 2,-0.6 -5,-0.1 -1,-0.2 0.576 68.8 177.5 56.7 23.9 50.0 8.1 7.3 259 260 A L < + 0 0 0 -3,-0.6 -40,-0.2 -10,-0.1 -1,-0.2 -0.458 67.1 19.0 -65.3 115.9 50.5 10.5 10.1 260 261 A I S S- 0 0 0 -42,-2.2 -41,-0.2 -2,-0.6 -40,-0.1 0.616 74.8-152.7 82.1 111.5 52.4 13.4 8.6 261 262 A Q + 0 0 21 -79,-0.1 2,-0.3 -42,-0.1 -42,-0.1 0.712 64.3 35.2 -88.9 -19.1 52.2 13.6 4.9 262 263 A T S > S- 0 0 33 -43,-0.1 4,-1.4 -80,-0.1 3,-0.2 -0.891 73.5-118.1-136.0 160.6 55.3 15.3 3.6 263 264 A A H > S+ 0 0 24 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.825 117.7 55.5 -64.9 -30.0 59.0 15.5 4.4 264 265 A D H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.843 102.4 53.2 -74.1 -29.3 58.4 19.2 5.0 265 266 A Q H > S+ 0 0 0 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.840 110.5 50.1 -69.1 -30.8 55.6 18.6 7.5 266 267 A L H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.938 111.2 47.0 -69.2 -48.1 58.2 16.4 9.3 267 268 A R H X S+ 0 0 68 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.856 111.1 51.8 -60.9 -37.5 60.7 19.1 9.1 268 269 A F H X S+ 0 0 10 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.853 103.4 58.8 -68.4 -36.0 58.2 21.6 10.4 269 270 A S H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.895 106.4 48.6 -58.0 -43.2 57.4 19.3 13.3 270 271 A Y H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.898 111.3 49.4 -60.1 -50.8 61.1 19.6 14.4 271 272 A L H X S+ 0 0 52 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.952 112.5 48.3 -55.9 -50.3 61.1 23.3 14.1 272 273 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.914 113.7 44.6 -59.1 -47.4 57.9 23.6 16.2 273 274 A V H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.910 114.2 50.7 -65.7 -36.7 59.1 21.2 19.0 274 275 A I H X S+ 0 0 27 -4,-2.8 4,-0.5 2,-0.2 -2,-0.2 0.950 114.9 42.0 -65.3 -48.2 62.5 23.0 19.1 275 276 A E H >X S+ 0 0 40 -4,-2.7 3,-1.7 1,-0.2 4,-0.5 0.951 114.0 52.2 -63.0 -49.5 61.0 26.4 19.4 276 277 A G H >X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.3 3,-0.6 0.764 95.2 71.6 -59.4 -26.9 58.3 25.3 21.8 277 278 A A H 3X S+ 0 0 11 -4,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.797 85.0 68.0 -61.5 -26.2 61.0 23.7 24.0 278 279 A K H <<>S+ 0 0 95 -3,-1.7 5,-2.0 -4,-0.5 -1,-0.2 0.932 104.5 42.1 -55.4 -48.9 62.1 27.3 25.0 279 280 A F H X<5S+ 0 0 43 -3,-0.6 3,-2.5 -4,-0.5 -2,-0.2 0.930 110.6 55.1 -62.2 -51.5 58.8 27.7 26.9 280 281 A I H 3<5S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.894 105.0 57.4 -50.1 -39.6 59.0 24.2 28.4 281 282 A M T 3<5S- 0 0 99 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.430 130.6 -89.6 -78.6 6.3 62.4 25.2 29.7 282 283 A G T < 5S+ 0 0 59 -3,-2.5 2,-1.2 1,-0.2 -3,-0.2 0.537 91.9 119.6 104.2 -0.1 61.1 28.2 31.6 283 284 A D > < + 0 0 66 -5,-2.0 3,-0.9 -6,-0.2 4,-0.2 -0.728 29.0 165.4 -95.7 81.9 61.3 31.0 29.2 284 285 A S T > + 0 0 67 -2,-1.2 3,-1.6 1,-0.2 4,-0.5 0.710 60.5 78.3 -73.6 -15.1 57.6 31.7 29.3 285 286 A S T >> S+ 0 0 58 1,-0.3 4,-1.7 2,-0.2 3,-1.0 0.758 78.4 73.1 -61.0 -27.3 58.1 35.2 27.5 286 287 A V H <> S+ 0 0 1 -3,-0.9 4,-2.3 1,-0.3 -1,-0.3 0.807 86.6 63.7 -59.7 -26.4 58.4 33.3 24.2 287 288 A Q H <> S+ 0 0 39 -3,-1.6 4,-1.6 -4,-0.2 -1,-0.3 0.859 101.5 49.0 -68.7 -33.3 54.7 32.7 24.4 288 289 A D H <> S+ 0 0 105 -3,-1.0 4,-2.5 -4,-0.5 -1,-0.2 0.903 109.9 53.1 -71.8 -38.5 54.0 36.4 24.1 289 290 A Q H X S+ 0 0 87 -4,-1.7 4,-3.1 1,-0.2 5,-0.2 0.862 105.1 53.3 -63.6 -40.1 56.4 36.6 21.2 290 291 A W H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.941 108.8 50.7 -60.4 -43.0 54.6 33.8 19.3 291 292 A K H X>S+ 0 0 94 -4,-1.6 4,-1.3 2,-0.2 5,-0.8 0.960 114.1 43.8 -57.8 -50.5 51.4 35.8 19.8 292 293 A E H ><5S+ 0 0 134 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.985 115.8 46.7 -54.6 -65.4 53.1 38.9 18.4 293 294 A L H 3<5S+ 0 0 93 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.738 106.1 60.7 -50.1 -27.9 54.8 37.0 15.5 294 295 A S H 3<5S- 0 0 7 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.841 90.3-148.8 -72.2 -31.5 51.5 35.3 14.7 295 296 A H T <<5 + 0 0 140 -3,-1.7 -3,-0.1 -4,-1.3 -2,-0.1 0.927 31.5 166.1 60.1 51.6 49.7 38.6 14.0 296 297 A E < 0 0 10 -5,-0.8 -146,-4.0 -146,-0.1 -144,-0.2 0.800 360.0 360.0 -67.7 -31.7 46.4 37.1 15.2 297 298 A D 0 0 140 -148,-0.2 -148,-0.1 -147,-0.1 0, 0.0 -0.545 360.0 360.0 -88.5 360.0 44.5 40.3 15.4 298 ! 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 0.0 299 322 A X 0 0 67 0, 0.0 -253,-0.1 0, 0.0 -251,-0.1 0.000 360.0 360.0 360.0 360.0 44.9 11.9 -0.7