==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(PHOSPHORYLATION) 28-SEP-94 2HNQ . COMPND 2 MOLECULE: PROTEIN-TYROSINE PHOSPHATASE-1B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.BARFORD,A.J.FLINT,N.K.TONKS . 278 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.7 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 . 30 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 1 1 1 1 0 1 0 1 0 0 0 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 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 5 A K > 0 0 183 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -71.8 71.3 19.7 17.1 2 6 A E H > + 0 0 68 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.891 360.0 52.4 -63.9 -38.7 69.9 16.5 15.5 3 7 A F H > S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 108.7 49.2 -61.4 -46.0 67.8 18.8 13.3 4 8 A E H > S+ 0 0 140 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 109.1 51.6 -63.2 -42.0 70.9 20.8 12.3 5 9 A Q H X S+ 0 0 94 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.890 113.6 45.2 -62.4 -40.1 72.9 17.6 11.4 6 10 A I H X>S+ 0 0 1 -4,-1.9 5,-1.4 2,-0.2 4,-0.5 0.914 111.5 52.4 -68.8 -46.4 70.0 16.5 9.2 7 11 A D H ><5S+ 0 0 62 -4,-2.7 3,-1.2 2,-0.2 -2,-0.2 0.922 107.0 50.1 -57.5 -50.7 69.5 19.9 7.6 8 12 A K H 3<5S+ 0 0 168 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.875 118.6 40.3 -59.5 -35.9 73.1 20.4 6.5 9 13 A S H 3<5S- 0 0 64 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.446 100.4-137.2 -91.7 -1.4 73.1 16.9 5.0 10 14 A G T X<5 + 0 0 53 -3,-1.2 3,-0.6 -4,-0.5 4,-0.3 0.681 55.3 144.3 52.9 21.7 69.6 17.3 3.6 11 15 A S T >>< + 0 0 29 -5,-1.4 4,-2.9 1,-0.2 3,-0.7 0.469 32.1 108.7 -70.4 2.2 68.9 13.7 4.8 12 16 A W H 3> S+ 0 0 20 -6,-0.4 4,-2.7 1,-0.3 5,-0.2 0.878 74.4 48.3 -45.4 -57.6 65.3 14.7 5.6 13 17 A A H <> S+ 0 0 50 -3,-0.6 4,-2.6 1,-0.2 -1,-0.3 0.834 115.1 46.8 -57.6 -33.4 63.5 12.8 2.8 14 18 A A H <> S+ 0 0 49 -3,-0.7 4,-2.7 -4,-0.3 -1,-0.2 0.931 109.1 53.6 -73.9 -44.2 65.5 9.7 3.7 15 19 A I H X S+ 0 0 30 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.904 114.8 42.6 -54.0 -44.1 64.8 10.1 7.4 16 20 A Y H X S+ 0 0 9 -4,-2.7 4,-3.3 -5,-0.2 5,-0.3 0.944 108.8 56.7 -68.4 -47.2 61.2 10.3 6.5 17 21 A Q H X S+ 0 0 118 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.870 110.1 48.5 -50.9 -37.5 61.5 7.4 4.0 18 22 A D H X S+ 0 0 93 -4,-2.7 4,-2.1 2,-0.2 3,-0.4 0.920 110.5 48.0 -69.4 -48.3 62.8 5.4 6.9 19 23 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 3,-0.4 0.953 107.8 57.3 -56.5 -50.2 60.0 6.4 9.3 20 24 A R H < S+ 0 0 135 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 113.7 39.4 -53.4 -32.2 57.5 5.5 6.6 21 25 A H H < S+ 0 0 158 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.750 111.0 55.2 -93.4 -22.8 58.9 2.0 6.4 22 26 A E H < S+ 0 0 104 -4,-2.1 -2,-0.2 -3,-0.4 -3,-0.2 0.808 86.6 111.8 -74.2 -32.6 59.5 1.4 10.1 23 27 A A S < S- 0 0 26 -4,-2.3 2,-0.1 -5,-0.2 224,-0.1 0.023 74.6-106.1 -44.5 144.8 55.8 2.3 10.8 24 28 A S - 0 0 39 223,-0.3 2,-0.4 229,-0.1 -1,-0.1 -0.388 25.1-150.7 -75.6 152.1 53.5 -0.4 12.0 25 29 A D + 0 0 140 -2,-0.1 226,-0.0 229,-0.1 225,-0.0 -0.997 21.0 170.3-127.1 126.8 50.8 -2.0 9.8 26 30 A F - 0 0 80 -2,-0.4 226,-0.0 1,-0.0 -2,-0.0 -0.957 38.1 -81.4-137.0 155.2 47.6 -3.4 11.2 27 31 A P - 0 0 59 0, 0.0 22,-3.0 0, 0.0 23,-0.4 -0.106 27.9-177.6 -55.0 149.2 44.2 -4.6 9.8 28 32 A C > + 0 0 18 20,-0.3 4,-2.0 21,-0.1 3,-0.3 -0.133 31.4 141.5-138.8 31.5 41.5 -2.2 8.8 29 33 A R H > S+ 0 0 176 1,-0.2 4,-0.6 2,-0.2 19,-0.1 0.822 70.7 51.1 -46.5 -46.0 38.9 -4.9 7.8 30 34 A V H >4 S+ 0 0 31 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.950 110.6 50.2 -59.5 -47.2 35.9 -3.0 9.2 31 35 A A H 34 S+ 0 0 2 16,-0.4 -2,-0.2 -3,-0.3 -1,-0.2 0.874 110.6 49.7 -56.9 -41.5 36.9 0.1 7.3 32 36 A K H 3< S+ 0 0 122 -4,-2.0 -1,-0.3 3,-0.1 -2,-0.2 0.483 82.9 119.6 -79.4 -6.4 37.2 -1.9 4.1 33 37 A L S X< S- 0 0 63 -3,-1.4 3,-2.0 -4,-0.6 4,-0.2 -0.352 72.0-126.3 -59.8 141.3 33.8 -3.5 4.5 34 38 A P G > S+ 0 0 91 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.897 108.4 63.5 -57.8 -38.3 31.5 -2.7 1.6 35 39 A K G 3 S+ 0 0 130 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.605 105.5 46.6 -62.4 -11.3 28.8 -1.4 4.0 36 40 A N G X S+ 0 0 0 -3,-2.0 3,-2.0 -6,-0.2 -1,-0.3 0.276 77.4 111.0-112.7 9.5 31.3 1.3 5.0 37 41 A K G X S+ 0 0 156 -3,-2.3 3,-0.7 1,-0.3 -2,-0.1 0.860 83.9 40.7 -52.0 -42.3 32.3 2.3 1.5 38 42 A N G 3 S+ 0 0 93 -4,-0.3 -1,-0.3 1,-0.2 48,-0.2 0.293 101.1 71.4 -91.2 3.8 30.6 5.7 1.8 39 43 A R G < S+ 0 0 20 -3,-2.0 25,-0.5 -8,-0.2 2,-0.5 0.247 88.8 79.4 -99.1 10.1 31.7 6.4 5.3 40 44 A N < - 0 0 25 -3,-0.7 6,-0.1 -4,-0.2 3,-0.1 -0.962 57.7-165.6-127.6 122.6 35.2 6.9 4.1 41 45 A R S S+ 0 0 47 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.835 80.6 30.0 -68.7 -36.7 36.6 10.0 2.5 42 46 A Y - 0 0 78 3,-0.4 3,-0.4 1,-0.1 -1,-0.1 -0.968 60.6-148.0-129.7 145.9 39.7 8.4 1.2 43 47 A R S S+ 0 0 184 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.879 101.2 48.6 -75.9 -36.9 40.6 4.8 0.1 44 48 A D S S+ 0 0 91 1,-0.2 2,-0.5 2,-0.0 -1,-0.2 0.413 101.1 66.8 -88.1 7.3 44.2 5.1 1.2 45 49 A V + 0 0 5 -3,-0.4 -3,-0.4 2,-0.0 -1,-0.2 -0.845 64.6 155.2-129.2 97.4 43.6 6.5 4.8 46 50 A S - 0 0 5 -2,-0.5 208,-0.6 -6,-0.1 2,-0.4 -0.827 43.2-110.6-122.9 157.5 41.8 4.0 7.1 47 51 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 5,-0.1 -0.738 36.3-116.4 -88.1 128.1 41.5 3.4 10.8 48 52 A F >> - 0 0 4 -2,-0.4 4,-1.3 204,-0.4 3,-1.0 -0.394 23.0-125.8 -59.8 142.1 43.2 0.3 12.1 49 53 A D T 34 S+ 0 0 34 -22,-3.0 3,-0.5 1,-0.2 -1,-0.1 0.895 106.9 60.8 -59.9 -39.5 40.6 -2.0 13.6 50 54 A H T 34 S+ 0 0 113 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.790 119.5 25.5 -61.5 -25.3 42.4 -2.2 16.9 51 55 A S T <4 S+ 0 0 10 -3,-1.0 16,-2.2 201,-0.1 -1,-0.2 0.368 87.2 129.2-119.1 1.3 42.1 1.5 17.5 52 56 A R B < -A 66 0A 37 -4,-1.3 2,-0.6 -3,-0.5 14,-0.2 -0.221 63.4-116.9 -58.4 146.8 39.0 2.5 15.5 53 57 A I - 0 0 8 12,-2.1 10,-0.5 10,-0.5 2,-0.5 -0.812 29.6-148.0 -85.7 119.6 36.5 4.6 17.4 54 58 A K - 0 0 119 -2,-0.6 8,-0.2 8,-0.1 2,-0.1 -0.797 10.6-129.4 -92.4 131.9 33.3 2.5 17.5 55 59 A L - 0 0 6 6,-1.9 2,-1.5 -2,-0.5 8,-0.0 -0.495 19.3-122.0 -73.6 149.6 30.0 4.5 17.5 56 60 A H S S+ 0 0 135 -2,-0.1 2,-0.5 4,-0.0 -1,-0.1 -0.403 76.8 125.8 -87.6 55.4 27.6 3.5 20.3 57 61 A Q - 0 0 35 -2,-1.5 -2,-0.1 1,-0.1 5,-0.0 -0.981 54.3-159.0-120.3 116.6 25.3 2.7 17.4 58 62 A E S S+ 0 0 210 -2,-0.5 3,-0.2 1,-0.1 -1,-0.1 0.790 90.3 61.4 -64.9 -27.8 23.7 -0.7 17.2 59 63 A D S S- 0 0 134 1,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.992 128.7 -23.8 -60.0 -82.0 23.1 -0.1 13.5 60 64 A N - 0 0 21 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 -0.987 54.9-163.6-139.0 121.2 26.6 0.4 12.1 61 65 A D + 0 0 42 -2,-0.4 -6,-1.9 -3,-0.2 2,-0.5 0.158 45.7 128.5 -93.4 18.9 29.4 1.6 14.4 62 66 A Y + 0 0 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.631 17.8 150.7 -85.2 126.9 31.8 2.7 11.7 63 67 A I - 0 0 11 -10,-0.5 2,-1.9 -2,-0.5 -10,-0.5 -0.969 51.3-117.7-146.3 129.5 33.4 6.2 11.7 64 68 A N S S+ 0 0 1 -25,-0.5 17,-1.5 -2,-0.3 2,-0.3 -0.580 73.5 116.6 -73.8 86.3 36.8 6.8 10.2 65 69 A A E - B 0 80A 0 -2,-1.9 -12,-2.1 15,-0.2 2,-0.4 -0.981 46.0-157.6-151.4 146.1 38.4 7.8 13.5 66 70 A S E -AB 52 79A 0 13,-2.5 13,-2.1 -2,-0.3 2,-0.7 -0.976 16.7-131.5-130.2 142.3 41.3 6.4 15.6 67 71 A L E - B 0 78A 49 -16,-2.2 2,-0.9 -2,-0.4 11,-0.2 -0.843 16.8-161.8 -94.4 115.4 42.1 6.8 19.2 68 72 A I E - B 0 77A 0 9,-2.8 9,-1.7 -2,-0.7 2,-0.8 -0.854 8.9-166.7 -98.8 101.3 45.8 7.7 19.7 69 73 A K E - B 0 76A 105 -2,-0.9 2,-1.2 7,-0.2 7,-0.2 -0.825 6.1-163.4 -95.0 108.6 46.4 6.9 23.4 70 74 A M E >> - B 0 75A 10 5,-2.7 5,-1.7 -2,-0.8 4,-1.3 -0.695 7.2-172.1 -95.2 87.0 49.8 8.3 24.5 71 75 A E T >45S+ 0 0 132 -2,-1.2 3,-0.6 1,-0.2 -1,-0.2 0.852 77.7 38.7 -40.4 -67.2 50.5 6.5 27.7 72 76 A E T 345S+ 0 0 100 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.895 119.5 46.5 -59.0 -45.7 53.6 8.2 29.1 73 77 A A T 345S- 0 0 3 2,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.639 103.5-136.7 -71.6 -15.9 52.4 11.7 28.1 74 78 A Q T <<5 + 0 0 132 -4,-1.3 2,-0.3 -3,-0.6 -3,-0.2 0.942 61.3 123.5 57.8 49.3 49.0 10.8 29.6 75 79 A R E < -B 70 0A 33 -5,-1.7 -5,-2.7 126,-0.1 2,-0.4 -0.998 42.0-165.4-143.4 135.1 47.2 12.4 26.6 76 80 A S E -B 69 0A 33 -2,-0.3 131,-0.8 -7,-0.2 2,-0.3 -0.931 6.0-176.0-119.9 147.9 44.7 10.9 24.1 77 81 A Y E -Bc 68 207A 0 -9,-1.7 -9,-2.8 -2,-0.4 2,-0.5 -0.933 20.0-140.6-136.6 158.1 43.6 12.3 20.8 78 82 A I E -Bc 67 208A 0 129,-2.9 131,-2.7 -2,-0.3 2,-0.5 -0.971 17.9-161.1-124.0 107.8 41.0 11.2 18.3 79 83 A L E +Bc 66 209A 0 -13,-2.1 -13,-2.5 -2,-0.5 2,-0.3 -0.824 20.6 167.1 -91.2 130.3 42.2 11.7 14.7 80 84 A T E -Bc 65 210A 3 129,-2.2 131,-0.6 -2,-0.5 -15,-0.2 -0.921 35.6-104.7-140.1 164.0 39.4 11.7 12.2 81 85 A Q - 0 0 5 -17,-1.5 132,-0.2 -2,-0.3 131,-0.1 -0.520 54.9 -83.0 -84.2 156.7 38.7 12.5 8.5 82 86 A G - 0 0 0 130,-2.5 -1,-0.1 34,-0.2 -41,-0.1 -0.424 63.4 -93.9 -60.2 131.3 36.8 15.7 7.6 83 87 A P - 0 0 2 0, 0.0 35,-2.2 0, 0.0 -1,-0.1 -0.162 38.2-134.6 -49.6 136.3 33.1 14.8 7.9 84 88 A L >> - 0 0 19 33,-0.2 3,-2.3 -3,-0.1 4,-0.7 -0.531 30.8-100.0 -87.2 159.8 31.5 13.6 4.6 85 89 A P T 34 S+ 0 0 115 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.880 127.5 41.9 -48.8 -37.1 28.1 15.0 3.6 86 90 A N T 34 S+ 0 0 69 -48,-0.2 4,-0.2 1,-0.2 3,-0.1 0.407 112.4 54.2 -92.5 2.2 26.6 11.8 5.0 87 91 A T T <> + 0 0 11 -3,-2.3 4,-2.6 2,-0.1 -1,-0.2 0.360 69.7 98.0-121.1 12.8 28.7 11.4 8.1 88 92 A C H X S+ 0 0 12 -4,-0.7 4,-1.8 -3,-0.4 5,-0.1 0.828 86.8 54.5 -66.6 -30.9 28.3 14.7 10.0 89 93 A G H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.954 110.0 45.4 -66.6 -46.9 25.7 13.0 12.2 90 94 A H H > S+ 0 0 14 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.911 109.0 56.9 -62.2 -42.1 28.1 10.3 13.1 91 95 A F H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.886 111.2 42.4 -56.8 -42.8 30.9 12.8 13.7 92 96 A W H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.3 0.753 110.6 57.0 -78.1 -21.2 28.7 14.6 16.3 93 97 A E H X S+ 0 0 18 -4,-1.6 4,-2.9 2,-0.2 3,-0.3 0.977 109.0 46.6 -68.9 -52.9 27.6 11.2 17.7 94 98 A M H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.3 6,-0.2 0.914 109.8 52.3 -52.9 -52.5 31.3 10.3 18.3 95 99 A V H <>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 -1,-0.3 0.882 113.3 46.7 -54.4 -37.3 32.0 13.7 19.9 96 100 A W H ><5S+ 0 0 24 -4,-1.6 3,-1.0 -3,-0.3 -2,-0.2 0.947 115.3 42.6 -70.9 -49.8 29.1 13.1 22.2 97 101 A E H 3<5S+ 0 0 29 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.826 113.8 50.2 -66.0 -37.4 29.9 9.6 23.2 98 102 A Q T 3<5S- 0 0 40 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.355 107.0-128.9 -82.7 3.9 33.6 10.1 23.7 99 103 A K T < 5 + 0 0 128 -3,-1.0 106,-3.2 -5,-0.2 -3,-0.2 0.878 42.5 179.1 48.7 44.2 32.7 13.1 25.8 100 104 A S < - 0 0 3 -5,-2.1 -1,-0.1 -6,-0.2 107,-0.1 -0.394 22.6-168.3 -73.9 155.1 35.1 15.3 23.8 101 105 A R + 0 0 49 98,-0.4 67,-2.7 104,-0.4 2,-0.2 0.740 66.4 38.5-110.6 -48.1 35.4 18.9 24.6 102 106 A G E -d 168 0A 0 97,-0.5 106,-1.7 65,-0.2 2,-0.4 -0.695 58.0-156.7-109.3 161.5 37.3 20.4 21.7 103 107 A V E -de 169 208A 0 65,-2.1 67,-2.9 -2,-0.2 2,-0.7 -0.991 12.1-156.4-134.1 120.9 37.3 19.9 18.0 104 108 A V E -de 170 209A 0 104,-3.0 106,-2.2 -2,-0.4 2,-0.7 -0.889 8.0-173.2-108.6 108.6 40.4 20.8 16.0 105 109 A M E +de 171 210A 0 65,-2.4 67,-2.4 -2,-0.7 106,-0.2 -0.887 5.7 179.5 -99.4 112.9 39.9 21.5 12.3 106 110 A L + 0 0 0 104,-3.4 2,-0.3 -2,-0.7 105,-0.2 0.028 61.5 60.5-102.0 26.4 43.3 22.0 10.7 107 111 A N S S- 0 0 1 104,-0.2 2,-0.3 103,-0.2 65,-0.1 -0.929 78.2-115.8-145.3 166.6 41.8 22.6 7.3 108 112 A R - 0 0 81 -2,-0.3 8,-0.3 67,-0.1 3,-0.1 -0.728 33.7-116.6-100.6 152.4 39.5 25.0 5.4 109 113 A V S S+ 0 0 29 -2,-0.3 7,-1.9 1,-0.2 8,-1.2 0.878 106.7 32.4 -59.3 -36.9 36.3 23.6 3.9 110 114 A M E S+I 115 0B 95 5,-0.3 2,-0.4 6,-0.2 5,-0.3 -0.979 72.0 166.7-125.1 120.7 37.6 24.4 0.4 111 115 A E E > +I 114 0B 8 3,-2.4 3,-1.4 -2,-0.5 -4,-0.0 -0.994 68.8 8.2-133.4 137.3 41.3 24.2 -0.4 112 116 A K T 3 S- 0 0 94 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.942 131.4 -60.8 60.0 46.9 42.8 24.3 -3.9 113 117 A G T 3 S+ 0 0 69 -3,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.641 119.7 105.8 56.1 16.3 39.5 25.0 -5.4 114 118 A S E < S-I 111 0B 55 -3,-1.4 -3,-2.4 0, 0.0 2,-0.9 -0.913 78.5-113.8-125.2 152.1 38.2 21.7 -3.9 115 119 A L E -I 110 0B 120 -2,-0.3 -5,-0.3 -5,-0.3 -6,-0.1 -0.771 29.9-176.4 -87.6 107.2 35.9 21.0 -1.0 116 120 A K - 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0 0 12 -3,-1.7 2,-0.7 -4,-0.4 -1,-0.1 -0.731 54.3-171.5 -87.2 105.9 62.4 13.3 23.9 241 245 A D > - 0 0 36 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 -0.848 13.8-163.0-101.4 110.5 62.9 11.7 20.4 242 246 A I H > S+ 0 0 14 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.911 92.2 53.8 -54.2 -46.6 60.4 13.1 17.8 243 247 A K H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 111.9 43.9 -56.7 -45.6 61.1 10.1 15.5 244 248 A K H > S+ 0 0 144 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 112.5 51.7 -69.2 -39.1 60.3 7.6 18.3 245 249 A V H X S+ 0 0 11 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.908 110.9 49.1 -64.8 -39.6 57.2 9.5 19.4 246 250 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 3,-0.4 0.949 111.1 47.9 -63.0 -52.0 55.9 9.6 15.8 247 251 A L H X S+ 0 0 33 -4,-2.2 4,-0.5 1,-0.3 -223,-0.3 0.911 108.8 56.6 -56.2 -39.5 56.4 5.9 15.3 248 252 A E H >< S+ 0 0 55 -4,-2.4 3,-0.8 1,-0.2 -1,-0.3 0.857 107.8 46.7 -59.5 -39.3 54.7 5.4 18.6 249 253 A M H >X S+ 0 0 0 -4,-1.6 3,-2.3 -3,-0.4 4,-0.9 0.838 99.8 69.1 -72.5 -32.1 51.6 7.2 17.4 250 254 A R H 3< S+ 0 0 11 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.623 83.3 71.6 -62.7 -14.2 51.7 5.3 14.1 251 255 A K T << S+ 0 0 91 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.658 107.0 38.9 -73.4 -15.5 50.7 2.1 16.1 252 256 A F T <4 S+ 0 0 29 -3,-2.3 -204,-0.4 1,-0.3 2,-0.3 0.638 128.1 10.4-107.0 -26.6 47.3 3.8 16.4 253 257 A R S >< S- 0 0 0 -4,-0.9 3,-0.6 -206,-0.1 -1,-0.3 -0.954 73.4-113.1-158.7 143.2 46.8 5.5 13.0 254 258 A M T 3 S+ 0 0 48 -208,-0.6 3,-0.1 -2,-0.3 -229,-0.1 -0.205 82.9 7.5 -74.1 162.4 48.3 5.5 9.6 255 259 A G T 3 + 0 0 18 1,-0.2 2,-0.3 -235,-0.1 -1,-0.2 0.684 65.5 172.7 40.0 34.3 50.2 8.2 7.7 256 260 A L S < S+ 0 0 1 -3,-0.6 -40,-0.3 -10,-0.1 -1,-0.2 -0.609 72.2 22.7 -64.8 134.3 50.4 10.7 10.5 257 261 A I S S- 0 0 0 -42,-2.2 -41,-0.2 -41,-0.3 -40,-0.1 0.767 75.5-159.0 69.1 112.2 52.7 13.3 8.8 258 262 A Q + 0 0 60 1,-0.2 2,-0.3 2,-0.0 -42,-0.1 0.723 65.5 36.2 -94.5 -27.4 52.5 12.9 5.0 259 263 A T S >> S- 0 0 59 -43,-0.1 4,-2.0 1,-0.1 3,-0.6 -0.965 72.4-123.6-133.1 150.5 55.7 14.5 3.8 260 264 A A H 3> S+ 0 0 17 -2,-0.3 4,-2.0 1,-0.3 5,-0.1 0.764 114.7 64.6 -58.2 -22.7 59.3 14.9 5.0 261 265 A D H 3> S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.939 102.2 45.2 -65.9 -48.1 58.5 18.6 4.7 262 266 A Q H <> S+ 0 0 15 -3,-0.6 4,-2.9 1,-0.2 -2,-0.2 0.906 109.2 57.4 -63.4 -39.5 55.9 18.3 7.5 263 267 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.924 105.6 49.4 -57.2 -45.3 58.4 16.2 9.5 264 268 A R H X S+ 0 0 75 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.929 110.6 51.5 -59.1 -44.1 60.9 19.0 9.4 265 269 A F H X S+ 0 0 3 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.920 104.0 56.3 -59.6 -44.5 58.2 21.4 10.5 266 270 A S H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.924 108.1 48.9 -54.7 -43.5 57.3 19.1 13.5 267 271 A Y H X S+ 0 0 4 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.944 112.9 47.7 -60.1 -48.8 61.0 19.4 14.6 268 272 A L H X S+ 0 0 34 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.950 113.3 46.6 -56.6 -53.8 60.9 23.2 14.2 269 273 A A H X S+ 0 0 0 -4,-3.4 4,-3.1 2,-0.2 -2,-0.2 0.916 115.3 46.0 -55.8 -48.6 57.6 23.5 16.1 270 274 A V H X S+ 0 0 2 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.948 115.2 46.4 -61.8 -49.5 58.7 21.2 18.9 271 275 A I H X S+ 0 0 53 -4,-3.0 4,-0.7 -5,-0.2 -2,-0.2 0.929 115.9 45.5 -58.2 -49.0 62.1 22.9 19.2 272 276 A E H >< S+ 0 0 80 -4,-3.2 3,-1.2 -5,-0.2 -2,-0.2 0.928 112.3 51.5 -61.9 -43.8 60.6 26.4 19.1 273 277 A G H 3X S+ 0 0 2 -4,-3.1 4,-1.5 1,-0.3 3,-0.2 0.776 98.1 66.0 -65.1 -27.4 57.9 25.3 21.6 274 278 A A H 3< S+ 0 0 18 -4,-1.8 2,-2.0 1,-0.3 -1,-0.3 0.802 83.2 76.9 -65.0 -26.1 60.6 24.0 24.0 275 279 A K T << S+ 0 0 157 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.1 -0.230 117.3 10.6 -78.4 48.5 61.7 27.6 24.3 276 280 A F T 4 S+ 0 0 142 -2,-2.0 2,-2.7 2,-0.2 -2,-0.2 -0.327 124.7 52.4-178.7 -82.4 58.7 28.1 26.7 277 281 A I < 0 0 14 -4,-1.5 -2,-0.1 -2,-0.0 -42,-0.1 -0.205 360.0 360.0 -74.7 51.7 56.9 24.8 27.7 278 282 A M 0 0 66 -2,-2.7 -2,-0.2 -4,-0.2 -46,-0.1 -0.901 360.0 360.0 161.0 360.0 60.3 23.5 28.8