==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 17-FEB-05 1YWF . COMPND 2 MOLECULE: PHOSPHOTYROSINE PROTEIN PHOSPHATASE PTPB; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.GRUNDNER,H.L.NG,T.ALBER,TB STRUCTURAL GENOMICS CONSORTIUM . 241 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 12 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 42.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 2 1 1 1 1 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A R 0 0 211 0, 0.0 2,-0.3 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 -56.3 7.1 47.0 12.8 2 5 A E - 0 0 134 6,-0.1 5,-0.1 8,-0.0 8,-0.0 -0.723 360.0-166.4-113.6 154.0 6.3 50.8 12.4 3 6 A L > - 0 0 1 3,-0.3 3,-2.5 -2,-0.3 34,-0.2 -0.826 37.2-131.1-133.5 84.3 7.9 54.2 13.1 4 7 A P T 3 S+ 0 0 39 0, 0.0 30,-1.7 0, 0.0 33,-0.3 -0.151 89.0 20.7 -55.9 127.9 5.1 56.7 12.7 5 8 A G T 3 S+ 0 0 21 1,-0.4 27,-0.3 28,-0.3 2,-0.2 0.159 118.9 71.0 97.1 -10.9 5.9 59.6 10.4 6 9 A A < - 0 0 11 -3,-2.5 -1,-0.4 25,-0.1 -3,-0.3 -0.721 64.8-156.9-121.9 173.3 8.8 57.7 8.8 7 10 A W + 0 0 18 22,-0.3 21,-2.5 -2,-0.2 155,-0.1 -0.871 64.7 45.4-142.8 173.8 8.8 54.8 6.3 8 11 A N S S+ 0 0 9 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.849 78.1 159.9 56.6 38.7 11.1 51.9 5.2 9 12 A F + 0 0 24 18,-0.2 2,-0.3 -8,-0.1 18,-0.2 -0.745 4.6 140.3 -98.1 133.3 11.9 51.2 8.9 10 13 A R E -A 26 0A 2 16,-2.4 16,-2.1 -2,-0.4 2,-0.4 -0.983 51.1-112.9-161.0 154.2 13.4 48.0 10.2 11 14 A D E > -A 25 0A 12 -2,-0.3 3,-1.7 14,-0.2 4,-0.4 -0.777 30.7-136.5 -76.3 135.5 15.8 46.5 12.7 12 15 A V G >> S+ 0 0 0 12,-2.6 4,-2.6 -2,-0.4 3,-1.4 0.837 103.8 66.1 -66.7 -27.3 18.5 44.9 10.6 13 16 A A G 34 S+ 0 0 9 11,-0.5 -1,-0.3 1,-0.3 6,-0.1 0.668 82.3 75.2 -69.0 -16.7 18.2 41.9 12.9 14 17 A D G <4 S+ 0 0 86 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.843 115.9 20.4 -60.9 -29.9 14.7 41.3 11.7 15 18 A T T <4 S+ 0 0 36 -3,-1.4 2,-1.5 -4,-0.4 -2,-0.2 0.851 122.6 55.6-101.9 -52.9 16.4 39.9 8.6 16 19 A A >< - 0 0 2 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 -0.680 69.0-175.7 -88.0 88.6 20.0 39.0 9.7 17 20 A T T 3 S+ 0 0 122 -2,-1.5 -1,-0.2 1,-0.3 -4,-0.1 0.550 72.6 70.7 -74.5 -7.1 18.9 36.8 12.5 18 21 A A T 3 S+ 0 0 68 2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.636 85.8 89.6 -77.1 -15.8 22.5 36.2 13.7 19 22 A L S < S- 0 0 10 -3,-2.0 223,-0.2 223,-0.2 222,-0.1 -0.575 88.3-111.8 -76.6 145.4 22.5 39.9 14.9 20 23 A R > - 0 0 109 221,-3.2 3,-0.7 -2,-0.2 4,-0.3 -0.606 41.1-114.1 -64.2 132.3 21.3 40.8 18.4 21 24 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.299 92.9 34.4 -65.7 153.0 18.1 42.8 18.1 22 25 A G T 3 S+ 0 0 19 2,-0.1 3,-0.1 1,-0.0 -2,-0.0 0.576 93.1 90.7 81.9 11.5 17.9 46.4 19.0 23 26 A R S < S+ 0 0 37 -3,-0.7 100,-2.5 1,-0.3 2,-0.5 0.810 87.1 27.8-103.4 -44.9 21.4 47.4 17.9 24 27 A L E + b 0 123A 2 -4,-0.3 -12,-2.6 98,-0.2 -11,-0.5 -0.948 65.3 169.8-133.1 113.7 21.2 48.6 14.3 25 28 A F E -Ab 11 124A 5 98,-2.8 100,-2.5 -2,-0.5 2,-0.3 -0.746 10.5-164.3-115.6 164.5 18.1 50.1 12.8 26 29 A R E +Ab 10 125A 1 -16,-2.1 -16,-2.4 -2,-0.3 2,-0.3 -0.986 17.3 141.4-150.3 151.8 17.5 51.8 9.5 27 30 A S E - b 0 126A 0 98,-1.5 100,-0.7 -2,-0.3 -19,-0.2 -0.961 47.2 -73.3-167.2 177.8 14.8 54.0 8.0 28 31 A S S S- 0 0 0 -21,-2.5 101,-0.2 -2,-0.3 100,-0.2 -0.178 78.4 -55.9 -65.1 177.5 13.8 56.9 5.8 29 32 A E - 0 0 1 99,-2.2 -22,-0.3 1,-0.1 -1,-0.2 -0.156 40.7-142.2 -56.5 159.8 14.3 60.4 7.1 30 33 A L > + 0 0 0 1,-0.1 35,-2.1 32,-0.1 3,-1.7 0.157 65.2 116.2-113.8 14.3 12.8 61.4 10.4 31 34 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 33,-0.3 -25,-0.1 0.548 85.8 36.2 -69.1 -8.8 11.8 65.0 9.5 32 35 A R T 3 S+ 0 0 58 -27,-0.3 -1,-0.3 -3,-0.2 5,-0.1 0.057 79.6 144.9-131.3 21.4 8.1 64.2 10.0 33 36 A L < - 0 0 4 -3,-1.7 -28,-0.3 -28,-0.1 2,-0.1 -0.360 36.1-152.6 -52.7 139.8 8.3 61.8 12.9 34 37 A D > - 0 0 71 -30,-1.7 4,-2.4 -28,-0.0 5,-0.2 -0.368 34.3 -80.7-106.2-170.4 5.3 62.3 15.1 35 38 A D H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.912 132.0 49.2 -58.5 -42.4 4.6 61.8 18.8 36 39 A A H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 110.9 51.4 -66.1 -37.4 4.1 58.1 18.3 37 40 A G H > S+ 0 0 0 -33,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.902 108.5 49.9 -63.2 -42.9 7.3 57.9 16.3 38 41 A R H X S+ 0 0 61 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.896 111.9 49.3 -64.2 -37.6 9.3 59.7 19.0 39 42 A A H X S+ 0 0 56 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.862 106.2 55.9 -70.4 -36.3 7.9 57.3 21.5 40 43 A T H X S+ 0 0 9 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.902 106.8 50.6 -60.1 -41.4 8.8 54.3 19.3 41 44 A L H X>S+ 0 0 0 -4,-1.9 5,-1.7 2,-0.2 4,-0.5 0.909 112.2 46.5 -64.9 -40.1 12.4 55.5 19.3 42 45 A R H ><5S+ 0 0 67 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.897 111.4 51.9 -67.0 -43.4 12.5 55.8 23.1 43 46 A R H 3<5S+ 0 0 179 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 109.1 49.8 -58.4 -43.0 10.8 52.4 23.5 44 47 A L H 3<5S- 0 0 56 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.569 111.2-123.2 -75.0 -11.8 13.4 50.8 21.2 45 48 A G T <<5 + 0 0 35 -3,-0.7 2,-0.4 -4,-0.5 -3,-0.2 0.695 47.6 167.1 77.5 20.5 16.3 52.4 23.2 46 49 A I < + 0 0 5 -5,-1.7 -1,-0.2 1,-0.2 77,-0.2 -0.561 9.7 171.0 -69.8 126.6 17.8 54.2 20.3 47 50 A T + 0 0 53 75,-1.7 24,-2.6 -2,-0.4 2,-0.4 0.538 60.1 42.5-109.1 -15.9 20.4 56.7 21.5 48 51 A D E -cd 71 123A 6 74,-1.5 76,-2.2 22,-0.2 2,-0.4 -0.998 57.5-164.0-142.3 140.8 22.0 57.8 18.3 49 52 A V E -cd 72 124A 0 22,-2.4 24,-3.6 -2,-0.4 2,-0.8 -0.978 11.3-150.7-124.9 133.2 21.0 58.6 14.8 50 53 A A E -cd 73 125A 0 74,-2.7 76,-2.5 -2,-0.4 2,-0.8 -0.919 13.2-163.5-104.4 107.8 23.2 58.8 11.8 51 54 A D E +cd 74 126A 2 22,-2.8 24,-2.9 -2,-0.8 76,-0.2 -0.825 12.1 177.1 -98.6 100.2 21.7 61.4 9.4 52 55 A L + 0 0 0 74,-2.7 25,-1.8 -2,-0.8 75,-0.2 0.374 36.2 125.7 -87.4 2.1 23.4 60.8 6.0 53 56 A R - 0 0 3 73,-0.3 22,-0.1 23,-0.2 -2,-0.1 -0.266 67.9-106.4 -63.6 148.2 21.3 63.4 4.2 54 57 A S > - 0 0 10 23,-0.2 4,-2.4 22,-0.2 5,-0.2 -0.314 32.6-110.2 -63.9 156.0 23.1 66.1 2.2 55 58 A S H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.867 120.7 57.2 -66.1 -27.8 23.0 69.5 3.9 56 59 A R H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.943 107.9 47.9 -58.4 -47.4 20.6 70.7 1.1 57 60 A E H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.934 113.0 47.0 -60.8 -44.1 18.2 67.9 2.0 58 61 A V H X S+ 0 0 27 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.896 110.0 54.2 -65.5 -36.2 18.5 68.8 5.7 59 62 A A H < S+ 0 0 81 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.915 118.5 34.0 -61.6 -44.8 17.9 72.5 4.9 60 63 A R H < S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.2 121,-0.2 0.920 126.3 35.8 -80.2 -49.2 14.7 71.8 3.0 61 64 A R H < S- 0 0 5 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.684 106.4-133.2 -80.8 -18.7 13.2 68.8 4.8 62 65 A G < - 0 0 16 -4,-1.7 -1,-0.2 -5,-0.4 -31,-0.1 -0.052 33.7 -45.9 87.6 167.1 14.3 70.0 8.3 63 66 A P S S- 0 0 96 0, 0.0 2,-0.1 0, 0.0 -34,-0.0 -0.263 70.2 -85.2 -65.2 154.0 16.0 68.2 11.2 64 67 A G - 0 0 13 1,-0.1 2,-1.6 -32,-0.1 -33,-0.3 -0.439 37.6-131.7 -57.8 131.1 14.9 64.8 12.4 65 68 A R + 0 0 119 -35,-2.1 -1,-0.1 -2,-0.1 -27,-0.1 -0.467 48.4 161.0 -89.1 65.5 12.1 65.3 14.9 66 69 A V - 0 0 32 -2,-1.6 -28,-0.1 1,-0.1 3,-0.1 -0.411 41.1-105.8 -89.2 157.6 13.6 63.1 17.5 67 70 A P > - 0 0 26 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.245 48.1 -84.8 -69.7 168.9 12.9 62.9 21.2 68 71 A D T 3 S+ 0 0 169 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.457 113.0 48.6 -74.3 152.3 15.3 64.3 23.7 69 72 A G T 3 S+ 0 0 73 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.356 87.9 106.9 92.1 -3.7 18.0 61.9 24.8 70 73 A I < - 0 0 22 -3,-1.0 2,-0.6 -22,-0.0 -22,-0.2 -0.944 60.5-147.5-112.3 121.5 18.9 61.1 21.1 71 74 A D E -c 48 0A 88 -24,-2.6 -22,-2.4 -2,-0.5 2,-0.6 -0.780 10.2-154.7 -86.9 119.1 22.1 62.4 19.6 72 75 A V E -c 49 0A 45 -2,-0.6 2,-0.6 -24,-0.2 -22,-0.2 -0.870 6.1-156.5 -97.4 116.3 21.6 63.1 15.9 73 76 A H E -c 50 0A 19 -24,-3.6 -22,-2.8 -2,-0.6 2,-0.7 -0.876 9.9-140.8 -98.4 116.2 25.0 63.0 14.1 74 77 A L E +c 51 0A 109 -2,-0.6 -22,-0.2 -24,-0.2 -24,-0.1 -0.706 31.0 165.0 -79.4 112.4 25.0 64.9 10.8 75 78 A L - 0 0 1 -24,-2.9 -1,-0.1 -2,-0.7 34,-0.1 -0.619 24.7-152.8-129.5 69.4 27.0 62.9 8.3 76 79 A P - 0 0 38 0, 0.0 -22,-0.2 0, 0.0 -23,-0.2 -0.141 15.1-178.2 -59.3 135.0 26.2 64.3 4.9 77 80 A F - 0 0 0 -25,-1.8 -23,-0.2 31,-0.1 28,-0.1 -0.994 39.8-100.7-133.3 119.8 26.5 61.9 2.0 78 81 A P - 0 0 45 0, 0.0 25,-0.1 0, 0.0 -25,-0.0 -0.089 42.8-122.3 -47.7 131.8 25.9 63.4 -1.4 79 82 A D - 0 0 9 1,-0.1 -26,-0.0 3,-0.1 48,-0.0 -0.050 19.0-105.6 -75.1 178.0 22.4 62.5 -2.7 80 83 A L S S+ 0 0 0 2,-0.0 2,-0.1 17,-0.0 -1,-0.1 0.232 81.4 110.1 -94.0 15.2 21.4 60.7 -5.9 81 84 A A 0 0 15 1,-0.1 104,-0.1 107,-0.0 105,-0.0 -0.372 360.0 360.0 -84.8 165.1 20.2 63.8 -7.8 82 85 A D 0 0 125 102,-0.3 -1,-0.1 -2,-0.1 -3,-0.1 -0.363 360.0 360.0 -65.8 360.0 21.8 65.6 -10.8 83 ! 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 84 117 A S 0 0 146 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.4 9.8 51.6 -22.3 85 118 A I + 0 0 124 1,-0.1 3,-0.2 2,-0.1 0, 0.0 -0.771 360.0 144.8 -97.9 87.3 13.4 52.1 -21.5 86 119 A N > + 0 0 77 -2,-1.0 4,-0.6 1,-0.2 -1,-0.1 -0.377 55.8 96.6-101.4 40.9 13.7 52.5 -17.7 87 120 A D H > S+ 0 0 91 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.416 75.9 66.4 -85.4 -15.6 16.9 50.6 -18.3 88 121 A A H > S+ 0 0 46 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.817 97.8 48.0 -69.1 -37.5 17.9 54.2 -18.2 89 122 A A H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.915 111.0 51.8 -67.8 -44.1 16.9 54.4 -14.6 90 123 A T H X S+ 0 0 33 -4,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.885 111.7 46.0 -58.0 -44.8 18.9 51.2 -14.0 91 124 A R H X S+ 0 0 141 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.902 114.0 48.7 -62.5 -47.4 22.0 52.6 -15.7 92 125 A Y H X S+ 0 0 57 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.940 114.2 44.6 -61.3 -49.3 21.7 55.9 -13.8 93 126 A M H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.904 111.2 53.2 -64.4 -41.6 21.3 54.2 -10.4 94 127 A T H X S+ 0 0 19 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.926 110.0 49.0 -60.1 -42.7 24.1 51.7 -11.0 95 128 A D H X S+ 0 0 76 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.862 107.6 54.1 -68.1 -33.1 26.4 54.6 -11.8 96 129 A E H >X S+ 0 0 15 -4,-2.0 3,-0.6 2,-0.2 4,-0.5 0.936 111.7 44.9 -62.4 -49.2 25.4 56.5 -8.7 97 130 A Y H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.879 104.8 62.8 -63.2 -41.0 26.3 53.4 -6.5 98 131 A R H 3< S+ 0 0 96 -4,-2.5 -1,-0.2 1,-0.3 4,-0.2 0.853 107.4 44.1 -51.3 -37.3 29.5 53.0 -8.4 99 132 A Q H XX S+ 0 0 77 -4,-1.2 4,-0.8 -3,-0.6 3,-0.6 0.534 87.9 94.6 -86.4 -9.8 30.6 56.4 -7.1 100 133 A F G X< S+ 0 0 0 -3,-1.3 3,-1.1 -4,-0.5 -1,-0.2 0.881 77.4 56.4 -51.1 -50.5 29.4 55.9 -3.5 101 134 A P G 34 S+ 0 0 1 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 0.851 114.3 38.2 -59.2 -34.2 32.7 54.7 -2.0 102 135 A T G <4 S+ 0 0 81 -3,-0.6 -2,-0.2 -4,-0.2 3,-0.1 0.467 86.4 122.4 -96.5 -1.6 34.7 57.8 -3.2 103 136 A R S XX S- 0 0 67 -3,-1.1 3,-1.9 -4,-0.8 4,-0.5 -0.301 77.5 -98.9 -59.0 143.5 32.0 60.4 -2.5 104 137 A N T 34 S+ 0 0 139 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.503 112.1 19.8 -63.0 119.6 33.0 63.1 -0.1 105 138 A G T 3> S+ 0 0 5 -2,-0.4 4,-2.3 -28,-0.1 -1,-0.2 0.204 92.8 103.7 103.3 -16.6 31.5 62.1 3.3 106 139 A A H <> S+ 0 0 0 -3,-1.9 4,-2.3 2,-0.2 5,-0.2 0.960 87.0 41.7 -64.8 -50.2 31.0 58.4 2.6 107 140 A Q H X S+ 0 0 49 -4,-0.5 4,-2.9 -6,-0.2 5,-0.2 0.921 114.1 53.7 -61.9 -44.1 34.0 57.3 4.6 108 141 A R H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 109.9 47.3 -56.2 -44.6 33.2 59.8 7.3 109 142 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.934 113.8 46.5 -63.6 -47.0 29.6 58.4 7.6 110 143 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.942 111.1 53.4 -60.3 -43.6 30.8 54.8 7.7 111 144 A H H X S+ 0 0 65 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.931 112.0 44.0 -56.9 -47.1 33.5 55.7 10.3 112 145 A R H X S+ 0 0 89 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.903 112.5 50.7 -70.9 -41.1 31.0 57.3 12.6 113 146 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.945 114.8 43.9 -59.7 -44.5 28.4 54.5 12.3 114 147 A V H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.924 111.8 52.9 -67.5 -45.2 30.9 51.8 13.1 115 148 A T H X S+ 0 0 57 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.940 111.3 46.9 -57.7 -44.6 32.5 53.8 15.9 116 149 A L H <>S+ 0 0 9 -4,-2.5 5,-2.0 1,-0.2 3,-0.3 0.923 113.4 47.7 -63.4 -46.1 29.0 54.2 17.6 117 150 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.903 108.7 53.4 -62.0 -43.9 28.1 50.6 17.2 118 151 A A H 3<5S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.792 103.7 58.6 -61.2 -29.4 31.4 49.4 18.5 119 152 A A T 3<5S- 0 0 56 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.402 122.3-107.3 -78.8 -1.3 30.8 51.6 21.6 120 153 A G T < 5S+ 0 0 28 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.668 70.0 146.7 84.9 17.2 27.6 49.7 22.3 121 154 A R < - 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0 0 84 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.895 57.3 -74.9 66.9 45.9 9.0 58.7 -14.3 194 227 A L T 3 - 0 0 13 -3,-0.8 4,-2.1 -6,-0.4 3,-0.4 -0.032 37.7-124.0 -45.9 150.0 10.3 54.1 -12.0 196 229 A D H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.760 114.9 65.0 -68.6 -24.9 10.5 51.1 -9.7 197 230 A G H 4 S+ 0 0 12 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.742 111.6 30.9 -67.8 -28.8 14.2 51.3 -10.8 198 231 A V H 4 S+ 0 0 3 -3,-0.4 -2,-0.2 -6,-0.1 -1,-0.2 0.697 124.5 45.3 -96.9 -29.2 14.6 54.6 -9.1 199 232 A L H < S+ 0 0 2 -4,-2.1 -2,-0.2 -10,-0.1 -3,-0.2 0.704 119.8 38.9 -84.8 -22.5 12.1 54.2 -6.2 200 233 A G S < S- 0 0 0 -4,-2.0 2,-0.3 -5,-0.2 -40,-0.1 -0.203 80.5-118.3-106.0-159.1 13.3 50.6 -5.4 201 234 A V - 0 0 4 -44,-0.2 2,-0.3 -2,-0.1 -3,-0.1 -0.946 14.2-158.7-144.2 161.5 16.7 48.8 -5.3 202 235 A R >> - 0 0 86 -2,-0.3 3,-1.5 -5,-0.1 4,-1.1 -0.990 32.0-117.6-144.0 148.6 18.3 45.9 -7.0 203 236 A A H 3> S+ 0 0 39 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.820 112.2 65.4 -58.6 -28.9 21.3 43.7 -6.0 204 237 A E H 3> S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.816 97.3 54.7 -63.2 -33.7 23.2 45.0 -9.1 205 238 A Y H <> S+ 0 0 0 -3,-1.5 4,-1.6 2,-0.2 3,-0.4 0.974 111.2 42.0 -62.4 -55.6 23.3 48.5 -7.6 206 239 A L H X S+ 0 0 16 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.899 112.6 55.8 -61.7 -37.8 24.9 47.4 -4.3 207 240 A A H X S+ 0 0 58 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.835 103.3 55.3 -66.0 -32.1 27.3 45.1 -6.2 208 241 A A H X S+ 0 0 3 -4,-1.7 4,-1.9 -3,-0.4 -1,-0.2 0.919 109.5 45.8 -64.4 -45.8 28.5 48.0 -8.3 209 242 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.894 113.3 50.1 -61.8 -40.1 29.5 49.9 -5.2 210 243 A R H X S+ 0 0 54 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.872 108.1 52.1 -71.1 -37.9 31.1 46.9 -3.7 211 244 A Q H X S+ 0 0 93 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.914 106.4 54.9 -62.1 -43.4 33.1 46.2 -6.9 212 245 A T H X S+ 0 0 12 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.847 102.6 56.8 -60.8 -36.2 34.4 49.8 -6.8 213 246 A I H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.4 0.939 110.2 44.1 -59.0 -46.8 35.7 49.3 -3.3 214 247 A D H X S+ 0 0 74 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.922 115.8 47.8 -65.3 -40.3 37.8 46.4 -4.4 215 248 A E H < S+ 0 0 129 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.871 123.2 31.7 -70.0 -35.0 39.0 48.2 -7.5 216 249 A T H < S+ 0 0 79 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.840 135.2 21.2 -93.6 -36.9 39.9 51.4 -5.7 217 250 A Y H < S- 0 0 56 -4,-2.7 2,-0.4 -5,-0.3 -3,-0.2 0.370 97.5-120.5-115.4 -1.9 41.0 50.2 -2.2 218 251 A G S < S- 0 0 57 -4,-1.3 2,-0.3 -5,-0.4 -4,-0.2 -0.187 81.6 -1.8 87.9 -38.9 41.9 46.6 -3.0 219 252 A S S > S- 0 0 47 -2,-0.4 4,-1.5 -6,-0.3 5,-0.1 -0.955 80.6 -92.3-166.5 172.0 39.4 45.1 -0.5 220 253 A L H > S+ 0 0 13 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.897 124.7 56.9 -63.5 -42.2 36.8 46.1 2.1 221 254 A G H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 105.9 49.4 -55.3 -40.8 39.5 45.9 4.7 222 255 A G H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.843 111.5 49.3 -70.0 -34.0 41.6 48.4 2.8 223 256 A Y H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.935 111.9 48.1 -65.4 -48.3 38.5 50.7 2.6 224 257 A L H <>S+ 0 0 15 -4,-3.0 5,-2.5 1,-0.2 -2,-0.2 0.934 112.4 49.2 -59.6 -46.2 37.8 50.4 6.3 225 258 A R H ><5S+ 0 0 169 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.923 110.2 50.0 -58.5 -45.7 41.5 51.1 7.1 226 259 A D H 3<5S+ 0 0 99 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.806 106.8 58.0 -63.4 -27.3 41.5 54.1 4.8 227 260 A A T 3<5S- 0 0 10 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.196 123.2-104.6 -87.7 15.1 38.3 55.2 6.7 228 261 A G T < 5S+ 0 0 51 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.729 75.8 139.9 72.7 21.6 40.0 55.2 10.0 229 262 A I < - 0 0 5 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.884 37.6-154.8-104.5 113.1 38.4 52.0 11.2 230 263 A S > - 0 0 53 -2,-0.7 4,-2.3 1,-0.1 5,-0.1 -0.347 27.5-117.1 -80.2 164.5 40.8 49.7 13.1 231 264 A Q H > S+ 0 0 112 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.850 118.1 59.7 -65.1 -33.4 40.6 45.9 13.4 232 265 A A H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 107.1 45.8 -57.5 -44.2 40.2 46.5 17.2 233 266 A T H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.929 112.0 50.3 -67.5 -46.3 37.1 48.6 16.4 234 267 A V H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.923 110.2 51.3 -54.5 -45.3 35.7 46.0 14.0 235 268 A N H X S+ 0 0 82 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.901 110.6 47.4 -59.7 -41.3 36.3 43.3 16.6 236 269 A R H X S+ 0 0 140 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.914 111.3 51.8 -67.3 -44.7 34.4 45.3 19.3 237 270 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.888 108.0 51.7 -57.5 -43.1 31.6 45.9 16.8 238 271 A R H X S+ 0 0 81 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.918 110.2 49.4 -60.3 -44.6 31.4 42.2 16.0 239 272 A G H < S+ 0 0 59 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.881 114.1 45.2 -61.5 -39.5 31.1 41.4 19.7 240 273 A V H < S+ 0 0 25 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.874 120.8 37.8 -70.1 -41.8 28.3 44.0 20.2 241 274 A L H < 0 0 1 -4,-2.6 -221,-3.2 -5,-0.2 -2,-0.2 0.828 360.0 360.0 -84.6 -34.5 26.3 43.0 17.2 242 275 A L < 0 0 82 -4,-2.6 -223,-0.2 -223,-0.2 -224,-0.0 -0.410 360.0 360.0 -97.1 360.0 26.6 39.2 17.1