==== 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 14-APR-00 1C84 . COMPND 2 MOLECULE: PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.S.ANDERSEN,L.F.IVERSEN,S.BRANNER,H.B.RASMUSSEN,N.P.MOLLER . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13157.0 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 . 42 14.1 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 . 3 1.0 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 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 30.3 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 0 1 2 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 . 1 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 77 0, 0.0 4,-2.0 0, 0.0 240,-0.1 0.000 360.0 360.0 360.0 155.2 69.8 17.0 20.8 2 3 A M H > + 0 0 10 2,-0.2 4,-2.1 1,-0.2 272,-0.1 0.626 360.0 57.2 -69.5 -19.1 66.9 17.2 18.2 3 4 A E H > S+ 0 0 95 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.868 103.6 49.5 -86.9 -42.6 68.4 20.5 17.1 4 5 A K H > S+ 0 0 136 2,-0.2 4,-3.5 1,-0.2 -2,-0.2 0.955 112.9 50.0 -54.7 -47.7 71.7 18.9 16.3 5 6 A E H X S+ 0 0 39 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.952 106.9 53.5 -57.9 -48.5 69.6 16.3 14.4 6 7 A F H X S+ 0 0 9 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.953 113.5 42.8 -45.7 -56.2 67.7 19.0 12.5 7 8 A E H X S+ 0 0 119 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.900 110.8 54.7 -67.9 -42.6 71.0 20.6 11.3 8 9 A Q H X S+ 0 0 114 -4,-3.5 4,-1.4 -5,-0.2 -1,-0.2 0.960 116.6 39.7 -42.5 -53.7 72.5 17.1 10.5 9 10 A I H <>S+ 0 0 7 -4,-2.9 5,-1.9 2,-0.2 6,-0.3 0.925 120.2 43.9 -67.2 -50.0 69.4 16.5 8.3 10 11 A D H ><5S+ 0 0 56 -4,-3.3 3,-2.5 -5,-0.2 -3,-0.2 0.966 111.0 53.3 -52.2 -63.7 69.2 20.0 6.9 11 12 A K H 3<5S+ 0 0 151 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.867 121.4 34.2 -50.0 -34.1 73.0 20.2 6.3 12 13 A S T 3<5S- 0 0 59 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 -0.097 104.2-134.3-114.6 46.7 72.7 17.1 4.3 13 14 A G T < 5 + 0 0 68 -3,-2.5 -3,-0.2 1,-0.2 -4,-0.1 0.587 57.2 137.1 -6.6 81.2 69.3 17.7 2.9 14 15 A S >< + 0 0 33 -5,-1.9 4,-2.6 1,-0.1 5,-0.2 0.160 19.2 119.9-131.5 24.8 67.8 14.3 3.6 15 16 A W H > S+ 0 0 23 -6,-0.3 4,-2.8 1,-0.2 5,-0.2 0.912 80.2 51.2 -43.9 -50.9 64.3 15.1 5.0 16 17 A A H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.866 111.1 47.3 -63.3 -38.4 62.8 13.1 2.1 17 18 A A H > S+ 0 0 42 2,-0.2 4,-2.9 3,-0.2 -2,-0.2 0.998 112.5 48.1 -66.5 -63.6 64.9 10.1 2.9 18 19 A I H X S+ 0 0 31 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.876 114.2 47.8 -31.8 -59.8 64.2 10.3 6.7 19 20 A Y H X S+ 0 0 14 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.910 109.6 50.9 -61.4 -44.9 60.4 10.6 5.9 20 21 A Q H X S+ 0 0 120 -4,-2.5 4,-3.4 2,-0.2 -1,-0.2 0.934 108.7 54.6 -55.0 -42.0 60.6 7.7 3.4 21 22 A D H X S+ 0 0 92 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.989 108.1 48.5 -54.7 -54.1 62.3 5.8 6.2 22 23 A I H X S+ 0 0 2 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.865 112.8 45.8 -45.1 -46.8 59.3 6.6 8.4 23 24 A R H < S+ 0 0 104 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.914 112.1 55.5 -65.6 -40.7 56.9 5.5 5.7 24 25 A H H < S+ 0 0 173 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 117.3 31.9 -37.0 -69.6 59.2 2.5 5.4 25 26 A E H < S+ 0 0 130 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.607 88.5 118.5 -75.0 -31.0 58.9 1.6 9.2 26 27 A A < - 0 0 26 -4,-2.7 224,-0.1 -5,-0.3 225,-0.1 -0.127 69.0 -98.8 -47.6 144.1 55.2 2.7 10.0 27 28 A S - 0 0 37 223,-0.3 2,-0.4 229,-0.1 -1,-0.1 -0.165 25.0-155.4 -59.6 150.6 52.8 0.0 11.1 28 29 A D + 0 0 140 229,-0.1 226,-0.1 226,-0.0 -1,-0.1 -0.953 21.2 166.7-130.1 109.5 50.2 -1.8 9.0 29 30 A F - 0 0 81 -2,-0.4 228,-0.1 1,-0.1 226,-0.0 -0.834 43.7 -80.4-117.0 160.2 47.2 -3.2 10.8 30 31 A P - 0 0 62 0, 0.0 22,-3.2 0, 0.0 23,-0.5 -0.257 29.5-175.2 -54.5 140.0 43.9 -4.5 9.4 31 32 A C > + 0 0 23 20,-0.3 4,-1.6 21,-0.1 3,-0.4 -0.260 32.6 143.4-120.5 37.6 41.2 -2.0 8.4 32 33 A R T 4 + 0 0 192 1,-0.2 3,-0.3 2,-0.2 4,-0.1 0.913 69.6 51.3 -47.6 -45.8 38.7 -4.8 7.6 33 34 A V T >4 S+ 0 0 30 1,-0.2 3,-2.0 2,-0.2 -1,-0.2 0.921 106.5 52.3 -61.6 -43.0 35.7 -2.8 9.0 34 35 A A T 34 S+ 0 0 1 16,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.809 109.2 52.8 -59.5 -35.0 36.4 0.4 6.9 35 36 A K T 3< S+ 0 0 109 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.271 75.2 121.5 -93.0 7.8 36.5 -1.6 3.9 36 37 A L S X S- 0 0 65 -3,-2.0 3,-3.4 1,-0.1 4,-0.4 -0.538 71.4-126.8 -66.6 138.3 33.2 -3.3 4.4 37 38 A P G > S+ 0 0 99 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.857 110.2 66.1 -69.9 -23.2 31.2 -2.4 1.2 38 39 A K G 3 S+ 0 0 124 1,-0.2 3,-0.1 2,-0.1 -3,-0.1 0.632 101.0 50.9 -52.9 -20.7 28.5 -1.1 3.5 39 40 A N G X S+ 0 0 0 -3,-3.4 3,-2.2 -6,-0.2 4,-0.3 0.286 75.0 109.0-108.6 9.4 31.0 1.7 4.7 40 41 A K G X S+ 0 0 159 -3,-1.2 3,-2.1 -4,-0.4 -1,-0.1 0.944 80.5 45.1 -51.9 -55.9 32.0 2.9 1.3 41 42 A N G 3 S+ 0 0 100 -4,-0.3 -1,-0.3 1,-0.3 48,-0.2 0.330 103.3 66.6 -78.8 8.9 30.1 6.1 1.6 42 43 A R G < S+ 0 0 26 -3,-2.2 2,-0.5 -8,-0.2 25,-0.5 0.399 90.4 76.1 -97.1 -0.9 31.5 6.7 5.1 43 44 A N < - 0 0 20 -3,-2.1 3,-0.1 -4,-0.3 6,-0.1 -0.929 59.1-165.5-117.4 131.8 35.0 7.1 3.8 44 45 A R S S+ 0 0 48 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.872 79.3 36.7 -80.4 -35.8 36.1 10.2 2.2 45 46 A Y B > -A 48 0A 67 3,-0.5 3,-2.3 1,-0.1 -1,-0.2 -0.955 68.6-142.2-123.2 122.4 39.3 8.7 0.6 46 47 A R T 3 S+ 0 0 186 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.855 105.8 43.3 -32.2 -45.5 39.8 5.2 -0.8 47 48 A D T 3 S+ 0 0 101 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.300 98.6 76.9-103.5 9.0 43.3 5.2 0.7 48 49 A V B < +A 45 0A 14 -3,-2.3 -3,-0.5 2,-0.0 -4,-0.2 -0.880 58.4 149.7-126.0 109.6 42.7 6.7 4.2 49 50 A S - 0 0 5 -2,-0.5 208,-0.5 -6,-0.1 2,-0.3 -0.929 44.7-111.6-135.6 148.8 41.1 4.4 6.7 50 51 A P - 0 0 1 0, 0.0 -16,-0.4 0, 0.0 206,-0.1 -0.594 37.0-114.8 -73.3 133.8 41.1 3.7 10.5 51 52 A F > - 0 0 0 204,-0.4 4,-1.6 -2,-0.3 3,-0.3 -0.389 21.8-128.8 -61.8 150.4 42.8 0.5 11.7 52 53 A D T 4 S+ 0 0 35 -22,-3.2 3,-0.4 1,-0.2 -1,-0.1 0.940 104.9 62.7 -71.1 -36.8 40.2 -1.7 13.3 53 54 A H T 4 S+ 0 0 106 -23,-0.5 -1,-0.2 1,-0.2 202,-0.1 0.863 120.5 22.6 -60.1 -27.6 42.2 -2.2 16.4 54 55 A S T 4 S+ 0 0 11 -3,-0.3 16,-2.8 201,-0.1 -1,-0.2 0.317 88.4 124.6-120.3 4.3 41.9 1.6 17.2 55 56 A R E < -B 69 0B 27 -4,-1.6 2,-0.6 -3,-0.4 14,-0.3 -0.289 65.4-111.4 -60.9 147.0 38.9 2.9 15.3 56 57 A I E - 0 0 10 12,-1.7 10,-0.6 10,-0.3 2,-0.4 -0.720 28.3-148.1 -75.5 120.8 36.1 4.7 17.3 57 58 A K E -B 65 0B 117 -2,-0.6 2,-0.2 8,-0.1 8,-0.2 -0.773 12.3-130.4 -86.4 134.2 33.0 2.7 17.4 58 59 A L - 0 0 3 6,-2.7 2,-1.6 -2,-0.4 39,-0.1 -0.597 21.8-121.3 -71.1 141.5 29.7 4.7 17.5 59 60 A H S S+ 0 0 129 -2,-0.2 2,-0.4 37,-0.1 -1,-0.1 -0.311 76.4 117.1 -83.0 56.5 27.4 3.5 20.2 60 61 A Q - 0 0 43 -2,-1.6 4,-0.1 1,-0.1 -2,-0.1 -0.963 60.8-147.4-121.8 142.8 24.7 2.7 17.6 61 62 A E S S+ 0 0 212 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.744 93.6 65.5 -78.9 -22.3 23.3 -0.8 16.9 62 63 A D S S- 0 0 126 1,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.899 128.9 -26.2 -66.5 -45.1 22.7 0.1 13.3 63 64 A N - 0 0 12 -3,-0.1 -1,-0.2 -5,-0.0 -2,-0.1 -0.464 52.2-162.9-176.6 98.9 26.3 0.6 12.1 64 65 A D + 0 0 44 -3,-0.2 -6,-2.7 -4,-0.1 2,-0.4 0.260 52.3 126.3 -62.7 3.4 29.0 1.7 14.7 65 66 A Y E +B 57 0B 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.622 22.4 152.1 -88.7 127.2 31.4 2.8 11.8 66 67 A I E - 0 0 8 -10,-0.6 2,-2.3 -2,-0.4 -10,-0.3 -0.994 52.7-112.9-134.8 139.5 33.0 6.2 11.5 67 68 A N E S+ 0 0 1 -25,-0.5 17,-1.6 -2,-0.3 2,-0.3 -0.473 79.4 111.6 -74.3 85.6 36.4 7.1 9.8 68 69 A A E - C 0 83B 0 -2,-2.3 -12,-1.7 15,-0.2 2,-0.3 -0.982 47.2-159.7-151.8 147.2 38.0 8.1 13.2 69 70 A S E -BC 55 82B 0 13,-2.6 13,-2.3 -2,-0.3 2,-0.8 -0.989 20.4-126.4-131.2 147.3 40.9 6.6 15.4 70 71 A L E - C 0 81B 36 -16,-2.8 2,-0.8 -2,-0.3 11,-0.2 -0.788 20.5-159.0 -90.5 110.0 41.9 6.9 18.9 71 72 A I E - C 0 80B 0 9,-3.0 9,-2.2 -2,-0.8 2,-0.8 -0.756 10.9-165.6 -87.0 113.5 45.6 7.9 19.1 72 73 A K E - C 0 79B 118 -2,-0.8 2,-1.1 7,-0.2 7,-0.2 -0.803 10.4-170.7-114.7 97.5 46.6 6.9 22.6 73 74 A M E >> - C 0 78B 12 5,-1.9 5,-1.9 -2,-0.8 4,-1.6 -0.671 8.4-179.3 -89.3 87.0 50.0 8.4 23.7 74 75 A E T 45S+ 0 0 167 -2,-1.1 -1,-0.2 2,-0.2 5,-0.1 0.882 76.0 43.7 -62.5 -44.0 50.6 6.4 27.0 75 76 A E T 45S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.997 118.6 43.5 -67.5 -55.8 53.9 8.0 28.1 76 77 A A T 45S- 0 0 4 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.742 105.7-136.1 -47.0 -27.3 52.8 11.6 27.3 77 78 A Q T <5 + 0 0 157 -4,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.908 64.6 121.1 59.5 40.8 49.5 10.6 29.0 78 79 A R E < -C 73 0B 34 -5,-1.9 -5,-1.9 126,-0.0 2,-0.3 -0.996 41.0-173.6-138.9 139.4 47.6 12.3 26.2 79 80 A S E -C 72 0B 33 -2,-0.4 131,-0.6 -7,-0.2 2,-0.3 -0.893 0.9-171.8-132.5 147.3 45.2 10.9 23.8 80 81 A Y E -Cd 71 210B 0 -9,-2.2 -9,-3.0 -2,-0.3 2,-0.6 -0.992 22.2-133.1-140.3 147.9 43.4 12.3 20.6 81 82 A I E -Cd 70 211B 0 129,-3.3 131,-3.3 -2,-0.3 2,-0.4 -0.921 25.1-166.0 -94.1 114.8 40.7 11.3 18.2 82 83 A L E +Cd 69 212B 0 -13,-2.3 -13,-2.6 -2,-0.6 2,-0.3 -0.857 17.7 159.7 -99.1 144.8 41.8 11.9 14.6 83 84 A T E -Cd 68 213B 3 129,-1.8 131,-0.8 -2,-0.4 -15,-0.2 -0.916 38.6 -97.3-153.2 159.2 39.1 11.8 11.8 84 85 A Q - 0 0 5 -17,-1.6 132,-0.3 -2,-0.3 131,-0.2 -0.298 55.9 -81.2 -75.6 169.2 38.4 12.9 8.3 85 86 A G - 0 0 0 130,-3.6 -1,-0.1 34,-0.2 130,-0.1 -0.669 64.7 -94.1 -73.8 135.3 36.5 16.0 7.5 86 87 A P - 0 0 1 0, 0.0 35,-3.0 0, 0.0 -1,-0.1 -0.074 35.2-137.0 -50.6 137.1 32.8 15.0 7.8 87 88 A L >> - 0 0 24 33,-0.2 3,-1.6 -45,-0.1 4,-0.5 -0.414 36.1 -97.4 -85.4 168.8 30.9 13.9 4.5 88 89 A P T 34 S+ 0 0 116 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.738 125.9 44.5 -62.7 -22.7 27.5 15.2 3.9 89 90 A N T 34 S+ 0 0 69 -48,-0.2 4,-0.1 1,-0.1 -48,-0.0 0.144 110.5 54.3 -99.6 8.3 25.9 12.0 5.4 90 91 A T T <> S+ 0 0 7 -3,-1.6 4,-2.9 2,-0.1 5,-0.2 0.225 70.6 98.4-130.6 6.9 28.3 11.7 8.5 91 92 A C H X S+ 0 0 13 -4,-0.5 4,-1.8 2,-0.2 5,-0.1 0.902 90.1 50.0 -59.5 -35.3 27.9 15.1 10.2 92 93 A G H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 110.6 46.4 -70.3 -46.2 25.5 13.3 12.5 93 94 A H H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.840 109.2 57.2 -58.8 -41.2 27.9 10.4 13.2 94 95 A F H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.963 111.1 41.6 -54.7 -49.9 30.7 13.0 13.8 95 96 A W H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.903 110.6 56.8 -72.2 -35.3 28.6 14.7 16.6 96 97 A E H X S+ 0 0 15 -4,-2.4 4,-2.9 2,-0.2 5,-0.4 0.965 108.3 49.0 -55.2 -45.8 27.5 11.3 18.0 97 98 A M H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 6,-0.2 0.957 110.6 48.8 -59.6 -48.1 31.2 10.5 18.4 98 99 A V H X>S+ 0 0 0 -4,-2.7 5,-1.7 -5,-0.2 4,-0.7 0.977 115.1 47.3 -52.8 -50.8 31.9 13.9 20.1 99 100 A W H ><5S+ 0 0 23 -4,-2.8 3,-1.4 2,-0.2 -2,-0.2 0.971 118.9 36.4 -49.5 -65.6 28.9 13.2 22.4 100 101 A E H 3<5S+ 0 0 36 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.874 119.3 50.4 -63.0 -35.6 29.8 9.5 23.3 101 102 A Q H 3<5S- 0 0 41 -4,-2.9 -1,-0.3 -5,-0.4 -2,-0.2 0.465 104.2-136.7 -81.4 -5.7 33.5 10.3 23.4 102 103 A K T <<5 + 0 0 115 -3,-1.4 106,-2.8 -4,-0.7 -3,-0.2 0.801 36.9 174.2 57.2 37.3 32.8 13.3 25.7 103 104 A S < - 0 0 3 -5,-1.7 -1,-0.2 -6,-0.2 107,-0.1 -0.452 30.0-169.2 -78.4 151.1 35.1 15.7 24.0 104 105 A R S S+ 0 0 46 104,-0.5 67,-2.9 98,-0.4 2,-0.3 0.700 71.1 51.5-100.1 -33.3 35.4 19.3 24.9 105 106 A G E -e 171 0B 0 97,-0.5 106,-2.0 103,-0.2 2,-0.3 -0.806 50.8-173.5-118.5 149.9 37.5 20.3 21.9 106 107 A V E -ef 172 211B 0 65,-1.9 67,-3.3 -2,-0.3 2,-0.6 -0.980 12.1-161.8-137.5 126.1 37.4 20.0 18.1 107 108 A V E -ef 173 212B 0 104,-2.9 106,-2.7 -2,-0.3 2,-0.6 -0.941 4.1-170.5-115.4 116.8 40.4 21.2 16.0 108 109 A M E +ef 174 213B 0 65,-3.3 67,-2.7 -2,-0.6 106,-0.2 -0.938 9.0 177.9-106.3 122.9 39.8 21.8 12.3 109 110 A L + 0 0 0 104,-2.5 2,-0.3 -2,-0.6 105,-0.1 0.158 60.1 61.3-106.7 11.5 43.0 22.4 10.4 110 111 A N S S- 0 0 1 103,-0.2 2,-0.3 104,-0.1 67,-0.1 -0.882 74.9-118.7-128.9 167.1 41.4 22.7 7.0 111 112 A R - 0 0 98 -2,-0.3 8,-0.2 67,-0.1 3,-0.1 -0.728 29.8-117.3 -99.6 156.7 38.9 24.9 5.1 112 113 A V S S+ 0 0 37 -2,-0.3 7,-2.5 1,-0.2 8,-0.9 0.902 109.7 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91.6-132.7-109.0 -8.8 60.9 15.4 32.3 238 239 A K T <5S+ 0 0 110 -4,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.835 71.1 126.5 54.2 32.3 62.1 18.8 31.5 239 240 A D > < + 0 0 74 -5,-0.9 3,-0.7 -6,-0.3 -1,-0.2 -0.733 38.2 179.4-125.9 83.1 64.4 16.8 29.2 240 241 A P G > S+ 0 0 24 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.884 81.3 56.5 -48.8 -31.4 64.4 17.9 25.6 241 242 A S G 3 S+ 0 0 71 1,-0.3 -2,-0.1 -240,-0.1 -7,-0.0 0.761 91.7 64.8 -87.3 -23.5 67.0 15.3 24.6 242 243 A S G < S+ 0 0 47 -3,-0.7 2,-0.6 -8,-0.1 -1,-0.3 0.207 85.5 99.2 -73.8 19.8 65.2 12.3 25.8 243 244 A V < - 0 0 11 -3,-1.0 2,-0.9 -9,-0.0 3,-0.1 -0.933 53.5-170.0-114.3 110.8 62.5 13.2 23.0 244 245 A D > - 0 0 62 -2,-0.6 4,-3.1 1,-0.2 5,-0.2 -0.846 3.3-167.6-101.6 99.3 62.8 11.2 19.7 245 246 A I H > S+ 0 0 3 -2,-0.9 4,-2.8 1,-0.2 -1,-0.2 0.906 88.9 48.2 -54.3 -46.6 60.4 13.1 17.4 246 247 A K H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 109.7 50.9 -67.8 -36.7 60.7 10.2 14.9 247 248 A K H > S+ 0 0 141 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.961 110.7 51.2 -60.7 -40.8 60.0 7.6 17.5 248 249 A V H X S+ 0 0 14 -4,-3.1 4,-2.5 1,-0.3 5,-0.2 0.926 107.5 53.3 -61.5 -42.7 57.0 9.6 18.6 249 250 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.3 0.922 110.0 45.4 -55.6 -43.7 55.8 9.7 15.1 250 251 A L H X S+ 0 0 28 -4,-1.9 4,-1.2 1,-0.2 -223,-0.3 0.915 108.3 57.8 -77.1 -29.6 55.9 5.9 14.7 251 252 A D H >< S+ 0 0 63 -4,-2.8 3,-0.9 -5,-0.2 4,-0.3 0.956 109.5 43.8 -58.9 -42.9 54.3 5.4 18.0 252 253 A M H >X S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.2 4,-1.2 0.885 104.0 68.8 -66.8 -37.0 51.3 7.5 16.7 253 254 A R H 3< S+ 0 0 11 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.747 86.9 66.0 -40.0 -38.1 51.7 5.4 13.5 254 255 A K T << S+ 0 0 87 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.734 108.4 38.8 -63.3 -19.7 50.4 2.3 15.4 255 256 A F T <4 S+ 0 0 37 -3,-2.0 -204,-0.4 1,-0.4 2,-0.3 0.609 128.3 11.1-116.6 -21.3 47.0 4.0 15.8 256 257 A R S >< S- 0 0 0 -4,-1.2 3,-0.6 -206,-0.1 -1,-0.4 -0.869 77.2-116.6-158.6 138.0 46.3 5.7 12.5 257 258 A M T 3 S+ 0 0 42 -208,-0.5 -229,-0.1 -2,-0.3 -3,-0.1 -0.257 83.1 13.2 -64.5 147.3 48.1 5.5 9.1 258 259 A G T 3 + 0 0 11 1,-0.2 -1,-0.2 -235,-0.1 -36,-0.1 0.609 69.6 175.5 77.2 10.1 50.0 8.3 7.1 259 260 A L < + 0 0 0 -3,-0.6 -1,-0.2 -10,-0.1 -40,-0.2 -0.326 67.8 23.8 -52.2 121.1 50.2 10.7 10.0 260 261 A I S S- 0 0 0 -42,-2.3 -41,-0.2 -41,-0.3 -40,-0.1 0.738 76.2-157.9 69.1 109.2 52.3 13.6 8.6 261 262 A Q + 0 0 40 -79,-0.1 2,-0.3 1,-0.0 -42,-0.1 0.627 64.0 39.5 -98.2 -20.5 51.9 13.4 4.8 262 263 A T S > S- 0 0 33 -80,-0.1 4,-1.8 -43,-0.1 5,-0.1 -0.917 74.2-121.2-134.1 153.2 55.0 15.3 3.6 263 264 A A H > S+ 0 0 24 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.806 115.2 57.2 -61.0 -29.2 58.7 15.6 4.5 264 265 A D H > S+ 0 0 87 2,-0.2 4,-3.8 1,-0.2 -1,-0.2 0.861 103.1 52.7 -77.2 -29.0 58.1 19.5 5.0 265 266 A Q H > S+ 0 0 0 2,-0.2 4,-3.1 3,-0.2 -2,-0.2 0.952 109.8 49.5 -60.1 -42.7 55.5 18.6 7.5 266 267 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.972 114.7 44.0 -56.9 -52.6 58.2 16.4 9.2 267 268 A R H X S+ 0 0 69 -4,-2.8 4,-2.2 1,-0.2 3,-0.3 0.955 112.6 51.8 -60.9 -50.8 60.6 19.3 9.1 268 269 A F H X S+ 0 0 8 -4,-3.8 4,-3.1 1,-0.2 -1,-0.2 0.881 105.9 55.7 -47.4 -45.2 57.9 21.8 10.2 269 270 A S H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.928 107.2 48.4 -58.2 -44.9 57.2 19.5 13.2 270 271 A Y H X S+ 0 0 1 -4,-2.0 4,-3.3 -3,-0.3 5,-0.2 0.947 112.1 50.4 -53.6 -53.5 60.9 19.6 14.3 271 272 A L H X S+ 0 0 49 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.930 111.5 48.1 -48.3 -52.4 60.8 23.5 13.9 272 273 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.921 115.7 42.7 -59.2 -46.4 57.6 23.7 16.0 273 274 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.918 113.6 51.7 -69.4 -40.4 58.9 21.4 18.9 274 275 A I H < S+ 0 0 27 -4,-3.3 4,-0.5 -5,-0.2 -2,-0.2 0.957 115.5 42.7 -56.1 -50.3 62.4 23.1 18.9 275 276 A E H >< S+ 0 0 39 -4,-2.6 3,-2.0 1,-0.2 4,-0.5 0.956 114.0 50.3 -60.2 -53.2 60.7 26.6 19.2 276 277 A G H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 5,-0.3 0.766 91.8 76.7 -58.2 -26.2 58.2 25.4 21.8 277 278 A A H 3X S+ 0 0 15 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.3 0.866 86.3 65.2 -53.7 -28.2 61.0 23.9 23.8 278 279 A K H <4>S+ 0 0 97 -3,-2.0 5,-1.9 -4,-0.5 -1,-0.2 0.957 107.2 37.4 -56.4 -56.1 61.6 27.6 24.8 279 280 A F H >45S+ 0 0 41 -4,-0.5 3,-2.2 1,-0.2 4,-0.2 0.966 116.1 53.2 -57.4 -57.7 58.4 27.9 26.7 280 281 A I H 3<5S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.815 105.0 56.5 -53.2 -30.1 58.5 24.2 28.0 281 282 A M T 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.308 133.3 -80.8 -93.8 17.7 62.1 24.9 29.4 282 283 A G T < 5S+ 0 0 66 -3,-2.2 2,-0.9 1,-0.1 -3,-0.2 0.521 94.6 118.1 109.2 6.7 60.9 27.9 31.6 283 284 A D > < + 0 0 69 -5,-1.9 3,-1.4 -4,-0.2 4,-0.4 -0.678 28.3 166.8-100.4 70.2 60.8 31.0 29.2 284 285 A S T >> + 0 0 81 -2,-0.9 3,-2.3 1,-0.2 4,-0.5 0.874 67.1 71.0 -55.8 -27.3 57.1 31.7 29.5 285 286 A S H 3> S+ 0 0 58 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.797 80.0 75.0 -70.0 -21.0 57.6 35.1 27.8 286 287 A V H <> S+ 0 0 2 -3,-1.4 4,-2.5 1,-0.2 -1,-0.3 0.874 86.7 63.9 -47.8 -32.7 58.2 33.3 24.6 287 288 A Q H <> S+ 0 0 46 -3,-2.3 4,-2.1 -4,-0.4 -1,-0.2 0.943 100.8 48.9 -67.7 -41.0 54.5 32.7 24.5 288 289 A D H X S+ 0 0 116 -4,-0.5 4,-2.8 -3,-0.2 -1,-0.2 0.970 109.2 53.9 -46.8 -58.2 53.8 36.5 24.3 289 290 A Q H X S+ 0 0 95 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.881 107.0 51.8 -47.4 -47.5 56.3 36.7 21.4 290 291 A W H X S+ 0 0 1 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.939 108.2 49.4 -53.7 -49.3 54.4 34.0 19.6 291 292 A K H X>S+ 0 0 80 -4,-2.1 5,-1.2 2,-0.2 4,-0.5 0.931 114.0 47.8 -58.9 -44.6 51.2 35.9 20.0 292 293 A E H ><5S+ 0 0 152 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.987 113.7 43.8 -55.9 -67.1 52.9 39.1 18.6 293 294 A L H 3<5S+ 0 0 99 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.698 106.9 62.1 -54.3 -24.3 54.7 37.5 15.6 294 295 A S H 3<5S- 0 0 10 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.691 96.0-141.9 -81.3 -16.1 51.6 35.6 14.7 295 296 A H T <<5 + 0 0 135 -3,-2.1 -145,-0.2 -4,-0.5 -3,-0.2 0.958 34.2 169.4 56.4 55.6 49.6 38.8 14.1 296 297 A E < 0 0 8 -5,-1.2 -146,-3.3 -146,-0.1 -145,-0.3 0.944 360.0 360.0 -66.9 -44.2 46.7 37.1 15.7 297 298 A D 0 0 136 -148,-0.2 -147,-0.1 -147,-0.1 -1,-0.1 0.960 360.0 360.0 -82.4 360.0 44.5 40.4 15.9