==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JAN-03 1NL9 . COMPND 2 MOLECULE: PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.G.SZCZEPANKIEWICZ,G.LIU,P.J.HAJDUK,C.ABAD-ZAPATERO,Z.PEI, . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 26 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 0 1 1 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 1 1 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 0 154 0, 0.0 241,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 168.2 24.0 9.0 41.8 2 3 A M > + 0 0 10 3,-0.1 4,-2.0 2,-0.1 5,-0.1 0.596 360.0 65.4-112.5 -26.3 26.4 10.5 39.3 3 4 A E H > S+ 0 0 87 2,-0.2 4,-1.2 1,-0.2 271,-0.0 0.966 112.3 32.5 -60.9 -56.1 28.7 7.5 39.2 4 5 A K H > S+ 0 0 98 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.865 112.5 62.9 -70.6 -37.0 26.1 5.2 37.7 5 6 A E H > S+ 0 0 33 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.912 101.9 52.7 -53.6 -41.8 24.5 8.0 35.7 6 7 A F H X S+ 0 0 28 -4,-2.0 4,-3.3 2,-0.2 -1,-0.3 0.921 110.1 49.3 -58.0 -45.0 27.9 8.3 33.9 7 8 A E H X S+ 0 0 90 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.979 111.7 46.1 -57.0 -62.3 27.6 4.5 33.2 8 9 A Q H < S+ 0 0 121 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.905 120.3 39.9 -47.6 -52.3 24.1 4.7 31.9 9 10 A I H ><>S+ 0 0 13 -4,-2.8 5,-1.9 -5,-0.2 3,-0.9 0.951 116.3 48.9 -65.5 -52.2 24.8 7.7 29.7 10 11 A D H ><5S+ 0 0 52 -4,-3.3 3,-1.8 -5,-0.3 2,-1.6 0.948 109.4 48.2 -55.6 -60.2 28.3 6.6 28.5 11 12 A K T 3<5S+ 0 0 146 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 -0.145 112.8 53.5 -78.5 45.0 27.6 3.1 27.4 12 13 A S T < 5S- 0 0 76 -2,-1.6 -1,-0.3 -3,-0.9 -2,-0.2 0.239 104.4-120.6-154.8 3.1 24.5 4.4 25.5 13 14 A G T < 5S+ 0 0 67 -3,-1.8 4,-0.2 -4,-0.1 -3,-0.2 0.907 71.2 135.8 48.1 44.4 26.0 7.1 23.3 14 15 A S >>< + 0 0 38 -5,-1.9 4,-2.7 1,-0.1 3,-0.8 0.597 35.2 92.5 -96.7 -15.6 23.6 9.4 25.1 15 16 A W H 3> S+ 0 0 19 -6,-0.4 4,-3.1 1,-0.3 5,-0.3 0.894 83.8 53.1 -45.0 -53.6 26.0 12.3 25.7 16 17 A A H 3> S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.866 113.9 44.4 -52.7 -38.6 25.0 14.1 22.6 17 18 A A H <> S+ 0 0 54 -3,-0.8 4,-1.9 -4,-0.2 -1,-0.2 0.884 111.6 50.8 -74.9 -41.1 21.4 13.9 23.6 18 19 A I H X S+ 0 0 31 -4,-2.7 4,-2.1 1,-0.2 3,-0.2 0.953 110.2 51.1 -60.9 -48.1 21.9 14.9 27.2 19 20 A Y H X S+ 0 0 11 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.892 108.9 51.2 -55.6 -43.0 23.9 17.9 26.0 20 21 A Q H X S+ 0 0 92 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.853 105.2 56.0 -64.6 -35.1 21.1 18.9 23.7 21 22 A D H X S+ 0 0 75 -4,-1.9 4,-2.0 -3,-0.2 -1,-0.2 0.947 108.8 47.8 -61.3 -46.7 18.6 18.6 26.5 22 23 A I H X S+ 0 0 3 -4,-2.1 4,-3.2 2,-0.2 3,-0.2 0.951 110.1 51.1 -57.5 -52.6 20.7 21.1 28.5 23 24 A R H < S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 111.5 48.1 -51.3 -48.5 20.9 23.5 25.5 24 25 A H H < S+ 0 0 164 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.839 118.4 40.1 -62.3 -35.3 17.2 23.4 25.1 25 26 A E H < S+ 0 0 112 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.752 89.2 118.1 -86.1 -26.8 16.5 24.0 28.8 26 27 A A S < S- 0 0 20 -4,-3.2 224,-0.1 -5,-0.2 225,-0.1 0.017 71.9 -98.6 -44.5 143.8 19.3 26.6 29.3 27 28 A S - 0 0 38 223,-0.4 2,-0.4 229,-0.1 -1,-0.1 -0.169 30.2-155.1 -64.1 156.9 18.3 30.1 30.4 28 29 A D + 0 0 145 229,-0.1 226,-0.1 226,-0.0 -1,-0.0 -0.971 20.4 163.5-138.9 119.9 18.0 33.0 27.9 29 30 A F - 0 0 84 -2,-0.4 2,-0.2 2,-0.0 228,-0.1 -0.898 42.1 -84.6-132.7 162.7 18.4 36.6 29.0 30 31 A P - 0 0 89 0, 0.0 22,-2.8 0, 0.0 23,-0.4 -0.460 24.4-168.9 -72.6 135.7 18.9 40.0 27.3 31 32 A C > + 0 0 6 20,-0.3 4,-1.1 -2,-0.2 20,-0.1 -0.450 32.3 147.9-117.3 53.0 22.5 41.1 26.4 32 33 A R H >> + 0 0 196 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.931 66.3 49.0 -54.6 -57.2 21.5 44.6 25.5 33 34 A V H >4 S+ 0 0 29 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.882 108.1 55.1 -54.2 -42.8 24.7 46.4 26.6 34 35 A A H 34 S+ 0 0 2 16,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.798 106.6 52.4 -62.6 -28.6 26.9 44.0 24.7 35 36 A K H << S+ 0 0 153 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.482 76.7 119.6 -90.2 -1.7 25.1 44.7 21.5 36 37 A L S X< S- 0 0 66 -3,-1.3 3,-2.1 -4,-0.5 4,-0.5 -0.382 73.8-121.5 -61.3 138.4 25.4 48.4 21.6 37 38 A P G > S+ 0 0 107 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.863 109.5 60.6 -50.3 -41.5 27.3 49.6 18.4 38 39 A K G 3 S+ 0 0 129 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.583 104.8 49.8 -66.6 -9.2 30.0 51.3 20.5 39 40 A N G X S+ 0 0 0 -3,-2.1 3,-2.9 -6,-0.1 4,-0.4 0.442 77.2 103.4-106.9 -2.0 30.9 48.0 22.1 40 41 A K G X S+ 0 0 143 -3,-1.6 3,-1.2 -4,-0.5 -2,-0.1 0.878 82.9 48.9 -46.5 -45.3 31.1 46.0 18.9 41 42 A N G 3 S+ 0 0 99 -4,-0.3 -1,-0.3 1,-0.2 48,-0.2 0.268 100.1 65.9 -83.1 13.9 34.9 46.1 19.1 42 43 A R G < S+ 0 0 23 -3,-2.9 25,-0.5 -8,-0.2 2,-0.4 0.377 90.9 78.1-109.0 -0.1 35.0 45.0 22.7 43 44 A N < - 0 0 22 -3,-1.2 3,-0.1 -4,-0.4 6,-0.1 -0.934 60.7-161.9-114.1 130.2 33.6 41.6 21.8 44 45 A R S S+ 0 0 49 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.896 85.1 30.3 -74.4 -41.5 35.7 38.8 20.2 45 46 A Y > - 0 0 67 3,-0.4 3,-1.5 1,-0.1 -1,-0.2 -0.976 66.2-147.3-124.9 132.3 32.6 36.9 18.9 46 47 A R T 3 S+ 0 0 231 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.747 103.3 51.1 -65.7 -23.2 29.3 38.4 17.9 47 48 A D T 3 S+ 0 0 127 1,-0.1 2,-0.5 -3,-0.0 -1,-0.3 0.282 98.6 71.7 -98.9 11.2 27.6 35.3 19.1 48 49 A V < + 0 0 9 -3,-1.5 -3,-0.4 2,-0.0 -4,-0.2 -0.865 62.6 148.3-129.8 99.6 29.2 35.3 22.6 49 50 A S - 0 0 6 -2,-0.5 208,-0.5 -6,-0.1 2,-0.3 -0.910 44.8-110.3-132.3 158.0 27.9 38.0 24.9 50 51 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 206,-0.1 -0.646 37.0-111.6 -86.3 140.2 27.3 38.5 28.7 51 52 A F >> - 0 0 1 204,-0.5 4,-0.8 -2,-0.3 3,-0.7 -0.461 25.6-126.1 -66.1 142.4 23.7 38.8 30.0 52 53 A D G >4 S+ 0 0 36 -22,-2.8 3,-0.9 1,-0.2 -1,-0.1 0.910 105.5 59.0 -56.9 -43.7 23.1 42.4 31.2 53 54 A H G 34 S+ 0 0 108 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.785 117.9 28.4 -59.8 -29.1 22.0 41.2 34.6 54 55 A S G <4 S+ 0 0 10 -3,-0.7 16,-3.0 201,-0.1 -1,-0.2 0.310 90.1 125.7-117.0 9.1 25.2 39.5 35.5 55 56 A R B << -A 69 0A 31 -3,-0.9 2,-0.4 -4,-0.8 14,-0.2 -0.274 62.2-114.6 -68.4 153.8 27.8 41.4 33.5 56 57 A I - 0 0 7 12,-2.1 2,-0.5 10,-0.3 10,-0.4 -0.751 26.6-146.5 -89.4 133.7 30.8 43.0 35.1 57 58 A K - 0 0 122 -2,-0.4 2,-0.2 8,-0.1 8,-0.2 -0.880 8.3-134.8-105.3 129.3 30.9 46.8 35.1 58 59 A L - 0 0 4 6,-2.2 39,-0.1 -2,-0.5 35,-0.0 -0.550 21.9-125.1 -74.8 145.3 34.2 48.6 34.8 59 60 A H S S+ 0 0 126 -2,-0.2 2,-0.1 37,-0.1 -1,-0.1 0.421 78.7 107.1 -75.5 4.7 34.4 51.4 37.3 60 61 A Q - 0 0 49 3,-0.2 -2,-0.1 1,-0.1 77,-0.0 -0.488 65.4-143.7 -80.7 155.0 35.1 54.0 34.6 61 62 A E S S+ 0 0 197 -2,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.635 88.8 69.6 -93.1 -17.3 32.4 56.4 33.5 62 63 A D S S- 0 0 133 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 1.000 125.0 -18.6 -61.1 -71.3 33.3 56.5 29.8 63 64 A N - 0 0 14 2,-0.1 -1,-0.3 1,-0.0 -3,-0.2 -0.941 56.6-166.6-142.8 114.0 32.2 53.0 28.9 64 65 A D + 0 0 49 -2,-0.4 -6,-2.2 -3,-0.2 2,-0.3 0.285 49.9 124.3 -86.7 13.5 31.8 50.4 31.7 65 66 A Y + 0 0 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.551 21.3 147.6 -87.3 140.3 31.6 47.5 29.2 66 67 A I - 0 0 8 -10,-0.4 2,-1.9 -2,-0.3 -10,-0.3 -0.945 54.1-107.5-157.5 143.2 33.7 44.4 29.1 67 68 A N S S+ 0 0 0 -25,-0.5 17,-1.6 -2,-0.3 2,-0.3 -0.563 76.3 116.4 -78.8 85.0 32.7 40.9 27.9 68 69 A A E - B 0 83A 0 -2,-1.9 -12,-2.1 15,-0.2 2,-0.4 -0.984 45.6-157.0-154.2 140.6 32.6 39.2 31.3 69 70 A S E -AB 55 82A 0 13,-2.8 13,-2.3 -2,-0.3 2,-0.8 -0.957 16.9-133.1-124.5 139.2 30.0 37.6 33.5 70 71 A L E - B 0 81A 47 -16,-3.0 2,-0.7 -2,-0.4 11,-0.2 -0.797 18.6-159.9 -90.9 108.2 29.9 37.0 37.2 71 72 A I E - B 0 80A 0 9,-3.3 9,-2.5 -2,-0.8 2,-0.7 -0.811 10.6-168.7 -89.3 115.1 28.8 33.4 37.9 72 73 A K E - B 0 79A 99 -2,-0.7 2,-0.9 7,-0.2 7,-0.2 -0.873 8.0-169.0-113.2 102.3 27.5 33.4 41.5 73 74 A M E >> - B 0 78A 13 5,-2.3 5,-1.8 -2,-0.7 4,-0.7 -0.794 3.0-175.0 -93.8 106.1 26.9 30.0 43.0 74 75 A E T 45S+ 0 0 125 -2,-0.9 3,-0.3 3,-0.2 -1,-0.2 0.957 78.7 46.4 -64.6 -56.5 25.0 30.4 46.3 75 76 A E T 45S+ 0 0 94 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.949 120.2 39.0 -54.1 -54.0 24.9 26.9 47.6 76 77 A A T 45S- 0 0 3 2,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.665 103.3-138.7 -71.0 -14.7 28.6 26.2 46.9 77 78 A Q T <5 + 0 0 141 -4,-0.7 2,-0.4 -3,-0.3 -3,-0.2 0.942 58.7 125.2 54.9 51.3 29.3 29.7 48.0 78 79 A R E < -B 73 0A 34 -5,-1.8 -5,-2.3 126,-0.0 2,-0.4 -0.996 43.3-158.5-140.3 142.5 31.8 30.3 45.3 79 80 A S E -B 72 0A 39 -2,-0.4 131,-0.8 124,-0.2 2,-0.3 -0.948 7.9-176.6-124.2 144.8 32.0 33.0 42.6 80 81 A Y E -Bc 71 210A 0 -9,-2.5 -9,-3.3 -2,-0.4 2,-0.7 -0.994 20.2-144.8-138.7 144.8 33.8 33.1 39.2 81 82 A I E -Bc 70 211A 0 129,-2.8 131,-3.5 -2,-0.3 2,-0.5 -0.948 19.8-165.2-108.7 110.7 34.2 35.8 36.6 82 83 A L E +Bc 69 212A 0 -13,-2.3 -13,-2.8 -2,-0.7 2,-0.3 -0.856 18.0 167.4 -95.5 132.6 34.2 34.1 33.2 83 84 A T E -Bc 68 213A 2 129,-2.5 131,-0.5 -2,-0.5 -15,-0.2 -0.954 36.6-101.6-142.7 160.5 35.5 36.3 30.4 84 85 A Q - 0 0 6 -17,-1.6 132,-0.2 -2,-0.3 131,-0.2 -0.376 54.6 -86.0 -75.9 162.0 36.6 36.1 26.8 85 86 A G - 0 0 0 130,-2.0 -1,-0.1 34,-0.3 -41,-0.1 -0.539 63.0-102.4 -65.2 130.8 40.2 36.1 26.0 86 87 A P - 0 0 2 0, 0.0 35,-2.4 0, 0.0 -1,-0.1 -0.150 30.8-130.2 -59.4 154.6 41.0 39.8 25.9 87 88 A L >> - 0 0 25 33,-0.2 3,-2.4 -45,-0.1 4,-0.8 -0.597 32.5 -97.7 -98.9 161.5 41.5 41.6 22.6 88 89 A P T 34 S+ 0 0 113 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.785 128.3 41.9 -49.6 -28.2 44.4 43.9 21.7 89 90 A N T 34 S+ 0 0 67 -48,-0.2 4,-0.2 1,-0.1 -48,-0.0 0.418 112.6 52.1-101.8 0.9 42.1 46.8 22.7 90 91 A T T <> S+ 0 0 6 -3,-2.4 4,-2.6 2,-0.1 -1,-0.1 0.279 76.1 96.1-118.6 10.7 40.6 45.3 25.8 91 92 A C H X S+ 0 0 10 -4,-0.8 4,-2.1 2,-0.2 5,-0.2 0.870 87.4 50.1 -67.8 -35.6 43.7 44.3 27.7 92 93 A G H > S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.918 112.2 47.4 -66.7 -41.5 43.6 47.5 29.7 93 94 A H H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.898 108.7 56.3 -64.1 -41.8 40.0 46.9 30.5 94 95 A F H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.950 110.8 41.4 -56.4 -53.1 40.8 43.3 31.4 95 96 A W H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.766 110.2 58.9 -69.2 -23.6 43.4 44.3 34.0 96 97 A E H X S+ 0 0 16 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.896 106.7 49.0 -68.8 -39.7 41.1 47.1 35.2 97 98 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 6,-0.3 0.911 108.5 51.9 -65.3 -43.9 38.5 44.4 36.0 98 99 A V H <>S+ 0 0 1 -4,-2.0 5,-2.0 2,-0.2 4,-0.2 0.929 114.7 44.3 -58.3 -44.1 41.0 42.3 37.8 99 100 A W H ><5S+ 0 0 26 -4,-2.1 3,-1.8 3,-0.2 -2,-0.2 0.983 115.7 44.0 -63.7 -59.4 42.0 45.3 39.9 100 101 A E H 3<5S+ 0 0 33 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.830 115.4 48.1 -57.0 -37.3 38.5 46.6 40.6 101 102 A Q T 3<5S- 0 0 48 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.448 107.2-129.1 -84.8 1.6 37.1 43.1 41.4 102 103 A K T < 5 + 0 0 129 -3,-1.8 106,-2.5 -4,-0.2 -3,-0.2 0.805 40.9 180.0 56.1 33.5 40.1 42.5 43.7 103 104 A S B < -i 208 0B 5 -5,-2.0 -1,-0.2 -6,-0.3 107,-0.1 -0.315 22.6-166.6 -65.1 148.5 40.8 39.2 42.0 104 105 A R + 0 0 57 104,-0.5 67,-2.4 98,-0.4 2,-0.3 0.734 69.1 33.7-104.8 -36.7 43.8 37.2 43.2 105 106 A G E -d 171 0A 0 97,-0.4 106,-2.2 103,-0.2 2,-0.4 -0.918 57.7-155.1-128.7 152.4 44.1 34.7 40.4 106 107 A V E -de 172 211A 0 65,-2.8 67,-3.3 -2,-0.3 2,-0.6 -0.993 14.7-155.0-122.5 125.6 43.6 34.6 36.6 107 108 A V E -de 173 212A 0 104,-3.7 106,-2.6 -2,-0.4 2,-0.5 -0.910 9.6-173.5-109.1 114.9 42.9 31.2 35.0 108 109 A M E +de 174 213A 0 65,-2.7 67,-3.1 -2,-0.6 106,-0.2 -0.912 9.4 178.8-109.1 122.4 43.8 30.7 31.4 109 110 A L + 0 0 0 104,-2.5 2,-0.3 -2,-0.5 105,-0.2 0.201 61.7 48.6-108.7 16.6 42.8 27.5 29.6 110 111 A N S S- 0 0 2 103,-0.3 2,-0.3 104,-0.2 65,-0.0 -0.830 78.9-104.8-142.3-179.7 44.1 28.1 26.1 111 112 A R - 0 0 82 -2,-0.3 8,-0.3 1,-0.1 3,-0.1 -0.774 31.8-114.5-108.5 156.5 47.2 29.2 24.2 112 113 A V S S+ 0 0 31 -2,-0.3 7,-2.2 1,-0.2 8,-1.1 0.882 107.3 33.2 -58.2 -37.6 47.6 32.6 22.6 113 114 A M E +J 118 0C 102 5,-0.2 2,-0.3 6,-0.2 5,-0.2 -0.980 69.6 158.8-124.3 128.1 47.7 30.9 19.2 114 115 A E E > +J 117 0C 11 3,-2.2 3,-1.1 -2,-0.5 66,-0.0 -0.991 69.4 9.7-144.9 136.3 45.7 27.7 18.3 115 116 A K T 3 S- 0 0 126 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.830 130.1 -62.8 65.1 29.4 44.7 26.4 14.9 116 117 A G T 3 S+ 0 0 66 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.650 118.5 85.3 71.9 16.1 47.0 29.0 13.3 117 118 A S E < S-J 114 0C 50 -3,-1.1 -3,-2.2 0, 0.0 2,-0.4 -0.959 85.9 -91.6-143.8 161.8 45.1 32.0 14.6 118 119 A L E +J 113 0C 104 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.629 33.9 173.9 -79.4 125.8 45.0 34.2 17.7 119 120 A K S S+ 0 0 46 -7,-2.2 -34,-0.3 -2,-0.4 2,-0.3 0.425 74.9 11.5-105.4 -5.8 42.5 33.0 20.3 120 121 A C S S- 0 0 0 -8,-1.1 -1,-0.4 -36,-0.1 -33,-0.2 -0.906 81.7-108.8-170.1 138.9 43.6 35.5 22.9 121 122 A A - 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0 0 56 -4,-1.1 4,-0.0 1,-0.1 6,-0.0 -0.686 68.3-140.3-100.5 151.6 26.5 17.7 51.4 238 239 A K S S+ 0 0 219 1,-0.3 -1,-0.1 -2,-0.3 -4,-0.0 0.894 106.2 41.3 -68.7 -39.6 25.5 14.7 53.6 239 240 A D S > S- 0 0 90 1,-0.2 3,-1.8 -3,-0.0 -1,-0.3 -0.838 72.6-174.9-112.0 91.3 25.0 12.7 50.4 240 241 A P G > S+ 0 0 46 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.833 80.3 60.6 -52.8 -39.9 27.8 13.6 48.0 241 242 A S G 3 S+ 0 0 38 1,-0.2 -238,-0.1 -7,-0.1 -7,-0.0 0.442 86.0 78.0 -73.1 2.3 26.4 11.5 45.1 242 243 A S G < + 0 0 54 -3,-1.8 2,-0.3 -241,-0.1 -1,-0.2 0.674 64.3 112.7 -83.2 -17.3 23.2 13.6 45.1 243 244 A V < - 0 0 3 -3,-1.4 2,-0.9 -4,-0.3 3,-0.1 -0.405 58.1-153.9 -60.4 114.3 25.0 16.4 43.3 244 245 A D > - 0 0 50 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 -0.812 6.0-165.3 -95.1 102.7 23.4 16.6 39.8 245 246 A I H > S+ 0 0 2 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.853 89.2 55.1 -56.4 -36.6 26.0 18.1 37.5 246 247 A K H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 108.2 49.4 -62.2 -44.1 23.4 18.8 34.8 247 248 A K H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 111.4 50.1 -61.6 -37.5 21.4 20.8 37.4 248 249 A V H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.887 109.4 49.5 -69.6 -39.1 24.6 22.6 38.3 249 250 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.950 109.9 52.2 -64.5 -46.2 25.4 23.5 34.7 250 251 A L H < S+ 0 0 37 -4,-2.7 -223,-0.4 1,-0.2 4,-0.3 0.856 110.1 48.4 -57.4 -37.3 21.9 24.8 34.2 251 252 A E H >< S+ 0 0 62 -4,-1.7 3,-1.3 1,-0.2 4,-0.3 0.907 111.4 50.6 -69.3 -41.1 22.2 27.0 37.2 252 253 A M H >X S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.3 4,-0.9 0.898 101.4 61.7 -63.5 -40.3 25.5 28.3 36.0 253 254 A R T 3< S+ 0 0 13 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.607 86.7 74.8 -64.3 -9.3 24.1 29.1 32.6 254 255 A K T <4 S+ 0 0 86 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.733 103.6 39.9 -72.7 -20.4 21.7 31.5 34.3 255 256 A F T <4 S+ 0 0 35 -3,-2.2 -204,-0.5 1,-0.3 2,-0.3 0.703 129.7 14.1-101.0 -25.0 24.8 33.8 34.6 256 257 A R S >< S- 0 0 0 -4,-0.9 3,-0.8 -206,-0.1 -1,-0.3 -0.945 78.3-116.2-155.7 132.5 26.5 33.2 31.2 257 258 A M T 3 S+ 0 0 52 -208,-0.5 -229,-0.1 -2,-0.3 -3,-0.1 -0.140 86.8 12.6 -65.7 158.7 25.3 31.6 28.0 258 259 A G T 3 + 0 0 11 1,-0.2 2,-0.2 -235,-0.1 -1,-0.2 0.536 69.2 174.0 52.3 18.9 26.8 28.5 26.4 259 260 A L S < S+ 0 0 0 -3,-0.8 -40,-0.2 -10,-0.1 -1,-0.2 -0.403 70.2 21.9 -59.3 119.2 28.8 27.2 29.3 260 261 A I S S- 0 0 0 -42,-2.3 -41,-0.2 -2,-0.2 -40,-0.1 0.798 75.5-162.4 82.3 101.2 30.1 23.8 28.1 261 262 A Q + 0 0 94 1,-0.0 2,-0.3 2,-0.0 -42,-0.1 0.599 59.9 37.0 -93.0 -13.7 30.0 23.8 24.3 262 263 A T S > S- 0 0 59 1,-0.1 4,-1.9 -43,-0.1 5,-0.1 -0.928 75.6-116.1-138.1 163.4 30.2 20.2 23.4 263 264 A A H > S+ 0 0 20 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.830 118.3 57.9 -63.2 -30.4 29.0 16.7 24.5 264 265 A D H > S+ 0 0 89 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.925 104.7 46.3 -66.3 -47.2 32.7 16.1 24.9 265 266 A Q H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 113.2 52.2 -64.7 -32.9 33.3 18.9 27.4 266 267 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.942 113.0 43.1 -67.5 -46.2 30.2 17.8 29.2 267 268 A R H X S+ 0 0 85 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.946 112.4 52.9 -63.6 -47.6 31.5 14.2 29.5 268 269 A F H X S+ 0 0 2 -4,-3.4 4,-3.1 1,-0.2 -1,-0.2 0.882 106.5 55.6 -54.7 -39.1 34.9 15.4 30.4 269 270 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.934 106.5 48.1 -59.6 -49.0 33.3 17.5 33.1 270 271 A Y H X S+ 0 0 2 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.942 113.0 50.3 -55.9 -48.3 31.6 14.4 34.6 271 272 A L H X S+ 0 0 33 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.936 108.9 50.0 -55.0 -53.0 34.9 12.6 34.5 272 273 A A H X S+ 0 0 0 -4,-3.1 4,-3.3 2,-0.2 -1,-0.2 0.934 115.8 42.7 -53.2 -51.3 36.8 15.4 36.2 273 274 A V H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.979 114.9 47.8 -59.4 -60.8 34.3 15.6 39.0 274 275 A I H X S+ 0 0 12 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.880 119.3 40.8 -47.5 -46.7 33.9 11.8 39.5 275 276 A E H X S+ 0 0 91 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.916 110.8 56.1 -71.8 -44.1 37.7 11.4 39.5 276 277 A G H X S+ 0 0 0 -4,-3.3 4,-2.2 -5,-0.3 -2,-0.2 0.875 105.2 53.7 -55.9 -38.8 38.4 14.4 41.6 277 278 A A H X S+ 0 0 13 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.921 108.1 49.1 -62.8 -45.0 36.1 13.1 44.3 278 279 A K H X S+ 0 0 94 -4,-1.3 4,-1.4 -5,-0.2 3,-0.3 0.936 110.9 50.0 -60.8 -47.3 38.0 9.8 44.5 279 280 A F H < S+ 0 0 134 -4,-2.3 3,-0.3 3,-0.2 -1,-0.2 0.896 105.0 57.5 -59.6 -42.3 41.4 11.5 44.7 280 281 A I H < S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 118.3 31.4 -58.4 -39.2 40.3 13.8 47.5 281 282 A M H < 0 0 148 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.514 360.0 360.0 -97.4 -5.4 39.3 10.9 49.8 282 283 A G < 0 0 102 -4,-1.4 -3,-0.2 -3,-0.3 -4,-0.1 0.930 360.0 360.0 83.5 360.0 41.9 8.5 48.4