==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAY-06 2CM7 . COMPND 2 MOLECULE: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.J.ALA,L.GONNEVILLE,M.C.HILLMAN,M.BECKER-PASHA,M.WEI, . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 74.7 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 14.2 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 . 33 11.1 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 . 88 29.7 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 0 3 1 0 0 1 0 0 0 2 0 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 3 A M > 0 0 42 0, 0.0 4,-3.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -26.7 15.9 -12.3 23.0 2 4 A E H > + 0 0 112 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.884 360.0 43.3 -69.6 -36.6 18.3 -10.1 25.0 3 5 A K H > S+ 0 0 134 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.896 114.9 51.8 -72.3 -37.9 20.4 -13.1 26.0 4 6 A E H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.975 108.5 51.1 -58.8 -54.7 20.1 -14.2 22.4 5 7 A F H X S+ 0 0 19 -4,-3.4 4,-2.9 1,-0.2 5,-0.2 0.903 111.2 46.9 -47.4 -53.9 21.3 -10.8 21.2 6 8 A E H X S+ 0 0 121 -4,-2.0 4,-3.7 1,-0.2 5,-0.2 0.940 112.4 48.4 -57.4 -51.4 24.4 -10.8 23.5 7 9 A Q H X S+ 0 0 119 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.893 114.1 47.7 -57.6 -40.5 25.4 -14.3 22.6 8 10 A I H X>S+ 0 0 9 -4,-2.7 5,-2.0 -5,-0.2 4,-0.6 0.936 115.1 44.0 -66.2 -47.0 25.1 -13.5 18.9 9 11 A D H ><5S+ 0 0 58 -4,-2.9 3,-1.9 -5,-0.2 -2,-0.2 0.963 112.8 53.5 -59.0 -52.6 27.0 -10.3 19.2 10 12 A K H 3<5S+ 0 0 185 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 113.0 43.0 -49.7 -40.9 29.6 -12.0 21.4 11 13 A S H 3<5S- 0 0 75 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.462 103.8-130.5 -88.3 -3.0 30.1 -14.7 18.7 12 14 A G T <<5 + 0 0 66 -3,-1.9 -3,-0.2 -4,-0.6 3,-0.2 0.906 64.4 135.7 52.1 45.3 30.1 -12.2 15.8 13 15 A S >>< + 0 0 31 -5,-2.0 4,-2.6 1,-0.1 3,-1.0 0.239 18.0 113.8-108.8 11.4 27.6 -14.4 14.1 14 16 A W H 3> S+ 0 0 23 -6,-0.3 4,-3.1 1,-0.3 5,-0.3 0.929 79.4 50.9 -47.9 -55.4 25.0 -11.9 12.8 15 17 A A H 3> S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.777 112.0 50.0 -55.2 -27.0 25.8 -12.6 9.1 16 18 A A H <> S+ 0 0 52 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.920 112.3 44.4 -78.0 -47.2 25.4 -16.3 9.9 17 19 A I H X S+ 0 0 30 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.975 115.8 48.6 -59.8 -53.3 22.0 -16.0 11.6 18 20 A Y H X S+ 0 0 10 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.866 110.1 51.5 -55.4 -40.2 20.8 -13.6 8.9 19 21 A Q H X S+ 0 0 89 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.3 0.878 105.1 55.8 -67.0 -35.9 22.0 -16.0 6.1 20 22 A D H X S+ 0 0 86 -4,-2.0 4,-2.1 -3,-0.3 -1,-0.2 0.921 107.3 51.2 -60.1 -42.4 20.1 -18.9 7.8 21 23 A I H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.932 107.1 51.0 -61.2 -46.0 17.0 -16.8 7.5 22 24 A R H < S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.879 112.0 50.0 -59.5 -35.6 17.5 -16.1 3.8 23 25 A H H < S+ 0 0 163 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 113.7 42.9 -70.8 -37.3 17.9 -19.8 3.3 24 26 A E H < S+ 0 0 124 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.695 87.7 123.4 -81.5 -21.4 14.8 -20.8 5.2 25 27 A A < - 0 0 24 -4,-2.0 228,-0.1 -5,-0.2 224,-0.1 -0.017 69.8 -99.1 -45.6 139.6 12.7 -18.0 3.7 26 28 A S - 0 0 39 223,-0.3 2,-0.4 229,-0.1 -1,-0.1 -0.182 28.1-152.6 -59.3 153.9 9.5 -19.0 1.8 27 29 A D + 0 0 149 229,-0.1 -1,-0.1 226,-0.0 226,-0.1 -0.945 22.6 169.3-131.7 107.1 9.5 -19.3 -1.9 28 30 A F - 0 0 81 -2,-0.4 228,-0.1 1,-0.1 226,-0.0 -0.890 40.1 -90.4-121.8 153.8 6.1 -18.6 -3.6 29 31 A P - 0 0 82 0, 0.0 22,-2.5 0, 0.0 23,-0.4 -0.197 27.8-171.9 -56.2 148.0 5.1 -18.1 -7.2 30 32 A C > + 0 0 21 20,-0.3 4,-1.7 21,-0.1 20,-0.1 -0.237 31.0 145.1-134.6 39.5 5.1 -14.5 -8.6 31 33 A R T 4 + 0 0 155 1,-0.2 4,-0.4 2,-0.2 3,-0.2 0.872 68.6 47.2 -47.5 -52.7 3.5 -15.3 -11.9 32 34 A V T >4 S+ 0 0 18 1,-0.2 3,-1.9 2,-0.2 -1,-0.2 0.935 108.8 53.3 -60.5 -47.9 1.4 -12.1 -12.3 33 35 A A T 34 S+ 0 0 1 16,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.845 110.4 51.9 -55.5 -32.2 4.3 -9.8 -11.4 34 36 A K T 3< S+ 0 0 116 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.444 79.0 123.0 -85.3 -3.8 6.3 -11.6 -14.1 35 37 A L S X S- 0 0 48 -3,-1.9 3,-1.6 -4,-0.4 4,-0.3 -0.280 73.4-118.9 -57.5 145.5 3.7 -11.2 -16.9 36 38 A P G > S+ 0 0 97 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.888 112.0 57.4 -53.0 -41.1 5.1 -9.4 -19.9 37 39 A K G 3 S+ 0 0 121 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.609 102.4 54.2 -70.5 -10.8 2.6 -6.5 -19.5 38 40 A N G X S+ 0 0 0 -3,-1.6 3,-2.4 -6,-0.2 4,-0.4 0.394 71.7 104.2-105.5 6.5 3.7 -5.7 -16.0 39 41 A K G X S+ 0 0 151 -3,-1.3 3,-1.2 -4,-0.3 -1,-0.2 0.891 83.9 49.0 -52.4 -43.7 7.5 -5.2 -16.6 40 42 A N G 3 S+ 0 0 101 -4,-0.3 -1,-0.3 1,-0.2 48,-0.2 0.392 102.1 63.2 -79.7 6.2 7.0 -1.4 -16.4 41 43 A R G < S+ 0 0 22 -3,-2.4 25,-0.5 -8,-0.2 2,-0.5 0.395 92.1 78.8-105.5 3.0 5.1 -1.7 -13.1 42 44 A N < - 0 0 21 -3,-1.2 3,-0.1 -4,-0.4 -1,-0.1 -0.949 57.9-166.6-116.4 122.1 8.1 -3.2 -11.4 43 45 A R S S+ 0 0 47 -2,-0.5 2,-0.5 1,-0.2 -1,-0.1 0.862 83.4 31.5 -71.6 -40.5 11.0 -1.1 -10.2 44 46 A Y > - 0 0 66 3,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.986 68.0-147.3-125.2 127.0 13.3 -4.0 -9.6 45 47 A R T 3 S+ 0 0 219 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.719 102.8 48.9 -59.2 -24.1 13.3 -7.2 -11.7 46 48 A D T 3 S+ 0 0 125 1,-0.1 2,-0.5 -3,-0.0 -1,-0.3 0.345 97.9 73.0-100.1 5.0 14.3 -9.2 -8.6 47 49 A V < + 0 0 10 -3,-1.6 -3,-0.4 2,-0.0 -4,-0.1 -0.925 63.4 153.4-122.2 105.3 11.8 -7.7 -6.1 48 50 A S - 0 0 5 -2,-0.5 208,-0.5 -6,-0.1 2,-0.2 -0.962 43.7-111.9-134.2 150.7 8.2 -9.1 -6.7 49 51 A P B -A 255 0A 0 0, 0.0 -16,-0.4 0, 0.0 206,-0.1 -0.560 37.7-113.6 -79.5 139.3 5.0 -9.7 -4.8 50 52 A F > - 0 0 1 204,-0.5 4,-0.8 -2,-0.2 3,-0.3 -0.437 24.2-123.3 -66.0 147.7 4.0 -13.3 -4.3 51 53 A D T >4 S+ 0 0 38 -22,-2.5 3,-0.5 1,-0.2 -1,-0.1 0.880 107.5 55.3 -61.0 -40.5 0.8 -14.1 -6.1 52 54 A H T 34 S+ 0 0 105 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.818 119.3 30.2 -67.3 -29.1 -1.1 -15.3 -3.0 53 55 A S T 34 S+ 0 0 8 -3,-0.3 16,-3.3 201,-0.1 -1,-0.2 0.334 87.7 125.5-112.8 7.6 -0.5 -12.1 -1.0 54 56 A R E << -B 68 0B 26 -4,-0.8 2,-0.4 -3,-0.5 14,-0.3 -0.329 63.4-115.7 -69.8 148.4 -0.3 -9.4 -3.8 55 57 A I E - 0 0 8 12,-2.1 10,-0.5 10,-0.3 2,-0.5 -0.725 29.1-144.2 -82.9 132.1 -2.6 -6.4 -3.5 56 58 A K E -B 64 0B 114 -2,-0.4 8,-0.2 8,-0.1 2,-0.1 -0.858 6.0-135.4-102.6 128.2 -5.1 -6.3 -6.4 57 59 A L - 0 0 4 6,-2.6 2,-1.3 -2,-0.5 39,-0.1 -0.508 23.4-121.7 -74.0 147.5 -6.2 -3.0 -7.9 58 60 A H S S+ 0 0 130 -2,-0.1 2,-0.4 37,-0.1 -1,-0.1 -0.318 77.7 108.8 -87.5 54.2 -10.0 -2.9 -8.5 59 61 A Q - 0 0 41 -2,-1.3 -2,-0.1 1,-0.1 77,-0.0 -0.983 61.7-149.8-129.5 140.9 -9.6 -2.3 -12.2 60 62 A E S S+ 0 0 199 -2,-0.4 3,-0.2 1,-0.1 -1,-0.1 0.757 91.1 73.3 -77.9 -23.8 -10.4 -4.7 -15.0 61 63 A D S S- 0 0 121 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.970 127.0 -32.3 -50.6 -64.4 -7.6 -3.1 -17.2 62 64 A N - 0 0 10 2,-0.0 -1,-0.3 -24,-0.0 -2,-0.1 -0.839 55.3-160.6-163.1 115.6 -4.7 -4.6 -15.3 63 65 A D + 0 0 43 -2,-0.3 -6,-2.6 -3,-0.2 2,-0.3 0.277 50.1 124.5 -89.7 14.2 -5.0 -5.2 -11.6 64 66 A Y E +B 56 0B 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.589 22.5 154.7 -87.9 134.6 -1.3 -5.4 -10.9 65 67 A I E - 0 0 7 -10,-0.5 2,-2.0 -2,-0.3 -10,-0.3 -0.978 50.2-114.4-147.4 137.4 0.7 -3.3 -8.4 66 68 A N E S+ 0 0 1 -25,-0.5 17,-1.6 -2,-0.3 2,-0.3 -0.586 76.9 115.6 -75.9 85.6 4.0 -4.3 -6.8 67 69 A A E - C 0 82B 0 -2,-2.0 -12,-2.1 15,-0.2 2,-0.4 -0.975 47.5-155.7-153.9 145.3 2.5 -4.5 -3.3 68 70 A S E -BC 54 81B 0 13,-2.6 13,-2.3 -2,-0.3 2,-0.8 -0.966 16.7-131.7-129.5 142.7 2.0 -7.2 -0.8 69 71 A L E - C 0 80B 36 -16,-3.3 2,-1.1 -2,-0.4 11,-0.2 -0.830 17.5-163.2 -95.4 111.1 -0.4 -7.7 2.1 70 72 A I E - C 0 79B 0 9,-3.2 9,-1.8 -2,-0.8 2,-1.0 -0.801 11.1-170.3 -93.9 94.8 1.6 -8.8 5.2 71 73 A K E - C 0 78B 116 -2,-1.1 2,-1.2 7,-0.2 7,-0.2 -0.755 7.1-164.0 -94.2 96.9 -1.3 -10.1 7.4 72 74 A M E >> - C 0 77B 10 5,-2.2 5,-1.6 -2,-1.0 4,-1.1 -0.668 7.4-175.4 -84.5 96.7 0.1 -10.8 10.9 73 75 A E T 45S+ 0 0 172 -2,-1.2 3,-0.3 2,-0.2 -1,-0.2 0.918 78.4 42.6 -58.4 -51.5 -2.7 -13.0 12.4 74 76 A E T 45S+ 0 0 79 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.901 117.8 45.7 -68.0 -38.8 -1.4 -13.4 15.9 75 77 A A T 45S- 0 0 11 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.639 102.9-135.2 -78.8 -10.5 -0.3 -9.7 16.2 76 78 A Q T <5 + 0 0 146 -4,-1.1 2,-0.3 -3,-0.3 -3,-0.2 0.895 64.7 114.5 58.4 42.2 -3.6 -8.7 14.7 77 79 A R E < -C 72 0B 40 -5,-1.6 -5,-2.2 126,-0.0 2,-0.4 -0.997 47.4-159.6-142.0 142.3 -2.0 -6.1 12.4 78 80 A S E -C 71 0B 30 -2,-0.3 131,-0.8 -7,-0.2 2,-0.3 -0.930 8.1-174.1-120.2 145.0 -1.8 -5.9 8.6 79 81 A Y E -Cd 70 209B 0 -9,-1.8 -9,-3.2 -2,-0.4 2,-0.6 -0.985 18.0-143.5-135.6 146.3 0.7 -3.9 6.6 80 82 A I E -Cd 69 210B 0 129,-2.8 131,-3.6 -2,-0.3 2,-0.6 -0.964 17.6-164.9-109.8 120.2 0.9 -3.3 2.9 81 83 A L E +Cd 68 211B 0 -13,-2.3 -13,-2.6 -2,-0.6 2,-0.3 -0.940 17.6 165.3-106.8 126.6 4.5 -3.2 1.7 82 84 A T E -Cd 67 212B 2 129,-1.9 131,-0.6 -2,-0.6 -15,-0.2 -0.865 37.4-100.3-135.2 164.6 5.0 -1.8 -1.7 83 85 A Q - 0 0 5 -17,-1.6 132,-0.2 -2,-0.3 131,-0.2 -0.336 54.6 -83.6 -77.2 165.8 7.9 -0.5 -3.8 84 86 A G - 0 0 0 130,-2.4 -1,-0.1 34,-0.3 -41,-0.1 -0.627 65.6-103.6 -68.8 126.2 8.5 3.3 -4.2 85 87 A P - 0 0 3 0, 0.0 35,-3.0 0, 0.0 5,-0.1 -0.077 30.5-128.6 -55.7 153.6 6.1 4.1 -7.0 86 88 A L > - 0 0 24 33,-0.2 3,-1.9 -45,-0.1 4,-0.5 -0.546 32.7 -96.9 -94.6 165.5 7.3 4.6 -10.6 87 89 A P T 3 S+ 0 0 117 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.820 128.2 43.5 -52.7 -30.5 6.4 7.6 -12.8 88 90 A N T 3 S+ 0 0 68 -48,-0.2 4,-0.2 1,-0.2 3,-0.1 0.462 111.8 52.7 -96.5 -2.1 3.7 5.5 -14.3 89 91 A T S <> S+ 0 0 6 -3,-1.9 4,-2.6 2,-0.1 -1,-0.2 0.228 72.9 97.6-118.8 17.3 2.4 3.8 -11.1 90 92 A C H > S+ 0 0 10 -4,-0.5 4,-2.2 -3,-0.3 5,-0.2 0.881 88.0 49.9 -70.5 -37.6 1.6 6.8 -8.9 91 93 A G H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.940 112.1 48.1 -64.5 -44.0 -2.0 6.6 -9.9 92 94 A H H > S+ 0 0 12 -4,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.947 109.4 54.0 -59.3 -47.8 -2.1 2.9 -9.2 93 95 A F H X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.923 113.0 40.9 -52.9 -51.3 -0.4 3.5 -5.8 94 96 A W H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.807 110.7 58.0 -71.1 -26.5 -3.0 6.1 -4.7 95 97 A E H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.879 107.8 49.0 -66.7 -38.1 -5.8 3.9 -6.2 96 98 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 6,-0.2 0.898 108.5 51.6 -65.7 -43.3 -4.6 1.2 -3.8 97 99 A V H <>S+ 0 0 0 -4,-1.8 5,-1.7 2,-0.2 4,-0.5 0.936 115.4 43.1 -61.7 -44.1 -4.5 3.5 -0.8 98 100 A W H ><5S+ 0 0 19 -4,-2.4 3,-2.2 1,-0.2 -2,-0.2 0.998 117.0 44.6 -62.3 -63.2 -8.2 4.5 -1.6 99 101 A E H 3<5S+ 0 0 39 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.829 116.5 46.1 -50.1 -39.3 -9.4 1.0 -2.3 100 102 A Q T 3<5S- 0 0 45 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.470 105.7-129.4 -86.5 -0.5 -7.6 -0.5 0.7 101 103 A K T < 5 + 0 0 128 -3,-2.2 106,-3.0 -4,-0.5 -3,-0.2 0.811 41.5 174.0 58.8 34.1 -8.9 2.3 2.9 102 104 A S < - 0 0 3 -5,-1.7 -1,-0.2 -6,-0.2 107,-0.1 -0.383 23.2-166.5 -69.6 151.6 -5.4 3.1 4.3 103 105 A R + 0 0 53 104,-0.4 67,-2.4 98,-0.4 2,-0.3 0.614 69.8 36.5-109.7 -27.7 -5.2 6.1 6.6 104 106 A G E -e 170 0B 0 97,-0.4 106,-2.1 65,-0.2 2,-0.4 -0.947 57.4-157.2-135.0 154.2 -1.5 6.4 6.6 105 107 A V E -ef 171 210B 0 65,-2.7 67,-3.2 -2,-0.3 2,-0.6 -0.994 11.5-156.4-126.3 130.0 1.5 6.0 4.4 106 108 A V E -ef 172 211B 0 104,-3.3 106,-2.8 -2,-0.4 2,-0.5 -0.933 8.6-170.9-114.0 113.6 5.0 5.4 5.8 107 109 A M E +ef 173 212B 0 65,-2.1 67,-2.7 -2,-0.6 106,-0.2 -0.901 10.8 176.5-105.3 123.7 7.9 6.4 3.6 108 110 A L + 0 0 0 104,-2.6 2,-0.2 -2,-0.5 69,-0.2 0.306 60.4 55.9-111.1 10.2 11.4 5.3 4.7 109 111 A N S S- 0 0 0 103,-0.3 2,-0.3 104,-0.2 67,-0.1 -0.704 75.7-117.9-130.0 176.1 13.5 6.5 1.7 110 112 A R - 0 0 121 -2,-0.2 8,-0.2 67,-0.1 -2,-0.1 -0.814 29.5-116.5-113.3 159.2 14.2 9.7 -0.1 111 113 A V S S+ 0 0 38 -2,-0.3 7,-3.3 1,-0.1 8,-0.9 0.880 107.2 39.4 -64.5 -36.5 13.3 10.1 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4,-0.8 0.590 82.8 48.1-137.4 -43.0 11.6 -4.9 1.7 218 220 A G H > S+ 0 0 8 40,-0.2 4,-2.2 41,-0.2 41,-0.2 0.992 126.2 16.5 -70.1 -77.7 14.7 -3.6 3.4 219 221 A R H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 129.0 54.8 -63.9 -38.5 13.8 -0.6 5.5 220 222 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 108.1 49.0 -61.7 -42.1 10.1 -1.5 5.2 221 223 A G H X S+ 0 0 0 -4,-0.8 4,-3.2 2,-0.2 5,-0.2 0.934 110.2 51.0 -64.0 -45.6 10.7 -4.9 6.6 222 224 A T H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.947 111.3 47.3 -56.9 -52.5 12.7 -3.5 9.5 223 225 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.947 117.2 43.4 -53.3 -51.4 10.0 -1.0 10.4 224 226 A C H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.867 110.8 53.8 -67.5 -37.7 7.3 -3.7 10.2 225 227 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 5,-0.2 0.952 110.8 45.9 -61.5 -51.9 9.3 -6.4 12.0 226 228 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.936 114.0 49.1 -58.1 -47.9 9.9 -4.2 15.0 227 229 A D H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.944 114.2 45.4 -56.6 -49.0 6.2 -3.0 15.2 228 230 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.909 111.2 51.8 -62.5 -43.6 5.0 -6.6 14.9 229 231 A C H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.879 109.2 51.2 -62.9 -35.7 7.4 -7.9 17.5 230 232 A L H X S+ 0 0 0 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.866 109.6 49.3 -69.3 -35.1 6.3 -5.2 19.9 231 233 A L H >X S+ 0 0 31 -4,-1.9 4,-1.3 -5,-0.2 3,-0.8 0.908 110.4 52.8 -67.7 -40.8 2.7 -6.1 19.4 232 234 A L H >X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.3 3,-0.8 0.941 106.7 50.0 -62.9 -46.3 3.5 -9.7 20.1 233 235 A M H 3< S+ 0 0 7 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.654 111.5 50.7 -70.9 -6.6 5.2 -9.1 23.3 234 236 A D H << S+ 0 0 108 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.643 114.0 43.1 -97.2 -19.9 2.3 -7.1 24.5 235 237 A K H << S+ 0 0 105 -4,-1.3 2,-0.3 -3,-0.8 -2,-0.2 0.718 96.8 89.9 -96.3 -23.1 -0.3 -9.7 23.6 236 238 A R S < S- 0 0 50 -4,-2.1 6,-0.1 -5,-0.2 4,-0.0 -0.600 72.5-135.9 -86.0 136.2 1.6 -12.8 24.9 237 239 A K S S+ 0 0 221 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.879 108.0 42.8 -47.6 -41.9 1.3 -14.2 28.5 238 240 A D S > S- 0 0 78 1,-0.1 3,-1.9 2,-0.0 4,-0.3 -0.880 70.1-169.9-113.3 100.2 5.0 -14.6 28.2 239 241 A P T 3 S+ 0 0 37 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.533 85.7 65.5 -62.5 -6.3 6.6 -11.4 26.7 240 242 A S T 3 S+ 0 0 79 1,-0.2 -7,-0.1 -239,-0.0 -3,-0.0 0.582 80.6 74.1 -94.6 -13.1 9.8 -13.5 26.5 241 243 A S < + 0 0 57 -3,-1.9 2,-0.3 2,-0.1 -1,-0.2 0.679 64.9 119.5 -75.3 -14.6 8.7 -16.1 24.1 242 244 A V - 0 0 4 -4,-0.3 2,-0.8 -3,-0.2 -13,-0.0 -0.326 48.0-162.8 -58.2 113.3 8.9 -13.7 21.1 243 245 A D > - 0 0 56 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 -0.851 4.9-161.8-101.1 102.6 11.4 -15.1 18.6 244 246 A I H > S+ 0 0 0 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.834 90.0 50.1 -52.6 -39.8 12.4 -12.2 16.2 245 247 A K H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.863 111.0 48.9 -69.0 -37.2 13.8 -14.6 13.6 246 248 A K H > S+ 0 0 138 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.904 111.6 49.7 -69.0 -39.9 10.7 -16.7 13.6 247 249 A V H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.907 109.4 51.8 -64.4 -42.2 8.5 -13.6 13.3 248 250 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.915 108.8 50.3 -61.7 -42.6 10.6 -12.4 10.4 249 251 A L H < S+ 0 0 34 -4,-2.1 4,-0.4 2,-0.2 -223,-0.3 0.875 108.0 54.1 -62.6 -37.6 10.2 -15.8 8.7 250 252 A E H >< S+ 0 0 63 -4,-2.0 3,-1.4 1,-0.2 4,-0.3 0.948 110.2 46.5 -60.2 -48.8 6.4 -15.4 9.2 251 253 A M H >X S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 4,-1.1 0.888 104.2 61.4 -61.0 -41.0 6.5 -12.0 7.5 252 254 A R T 3< S+ 0 0 15 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.552 88.2 72.5 -66.6 -3.5 8.6 -13.4 4.6 253 255 A K T <4 S+ 0 0 86 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.746 105.8 38.5 -77.7 -22.7 5.7 -15.8 3.8 254 256 A F T <4 S+ 0 0 34 -3,-2.1 -204,-0.5 -4,-0.3 2,-0.3 0.696 130.8 11.5 -99.0 -27.8 3.9 -12.7 2.5 255 257 A R B >< S-A 49 0A 0 -4,-1.1 3,-0.6 -206,-0.1 -1,-0.3 -0.960 79.3-115.8-153.8 138.0 6.7 -10.7 0.8 256 258 A M T 3 S+ 0 0 50 -208,-0.5 -3,-0.1 -2,-0.3 -229,-0.1 -0.319 84.7 15.2 -74.6 155.5 10.3 -11.7 -0.1 257 259 A G T 3 + 0 0 10 1,-0.2 -1,-0.2 -5,-0.1 2,-0.1 0.515 67.8 173.7 63.9 11.5 13.5 -10.2 1.2 258 260 A L < + 0 0 0 -3,-0.6 -40,-0.2 -10,-0.1 -1,-0.2 -0.334 67.1 25.0 -54.3 121.3 12.2 -8.4 4.2 259 261 A I S S- 0 0 0 -42,-2.1 -41,-0.2 -41,-0.2 -40,-0.1 0.683 73.6-159.8 83.1 111.6 15.3 -7.1 6.1 260 262 A Q + 0 0 61 -79,-0.1 2,-0.3 1,-0.1 -42,-0.1 0.531 62.8 41.0-102.9 -8.7 18.2 -6.7 3.6 261 263 A T S > S- 0 0 28 -43,-0.1 4,-1.5 1,-0.1 3,-0.2 -0.964 73.8-122.6-138.6 156.9 21.3 -6.7 5.7 262 264 A A H > S+ 0 0 21 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.838 116.1 54.4 -64.4 -31.7 22.6 -8.6 8.8 263 265 A D H > S+ 0 0 79 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.809 102.2 54.9 -73.5 -28.5 22.9 -5.3 10.5 264 266 A Q H > S+ 0 0 1 2,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.862 109.3 50.0 -69.6 -33.4 19.3 -4.3 9.8 265 267 A L H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.944 111.4 47.4 -66.3 -48.3 18.4 -7.6 11.6 266 268 A R H X S+ 0 0 64 -4,-2.3 4,-2.3 1,-0.2 3,-0.4 0.930 110.1 53.4 -58.2 -44.4 20.7 -6.7 14.5 267 269 A F H X S+ 0 0 8 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.865 102.8 57.9 -60.2 -36.0 19.1 -3.3 14.6 268 270 A S H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.877 105.9 49.1 -61.5 -39.4 15.7 -4.9 14.8 269 271 A Y H X S+ 0 0 0 -4,-1.5 4,-3.1 -3,-0.4 5,-0.3 0.976 112.2 48.2 -62.0 -53.9 16.7 -6.7 18.0 270 272 A L H X S+ 0 0 48 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.912 113.4 48.2 -50.7 -48.8 18.1 -3.5 19.5 271 273 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.873 114.5 44.5 -59.8 -45.1 14.9 -1.7 18.6 272 274 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.891 111.0 52.7 -70.1 -42.5 12.6 -4.3 20.0 273 275 A I H X S+ 0 0 26 -4,-3.1 4,-0.7 2,-0.2 3,-0.2 0.969 115.4 41.9 -57.8 -51.6 14.6 -4.8 23.2 274 276 A E H >< S+ 0 0 44 -4,-2.4 3,-1.4 -5,-0.3 4,-0.5 0.926 113.3 52.5 -61.3 -46.2 14.4 -1.0 23.9 275 277 A G H >X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.3 3,-1.3 0.811 95.3 70.3 -60.9 -30.3 10.8 -0.8 22.8 276 278 A A H 3X S+ 0 0 15 -4,-2.1 4,-3.3 1,-0.3 -1,-0.3 0.842 84.1 71.6 -55.2 -33.7 10.0 -3.6 25.2 277 279 A K H <<>S+ 0 0 102 -3,-1.4 5,-1.3 -4,-0.7 -1,-0.3 0.879 102.7 41.6 -51.2 -40.5 10.6 -1.1 28.0 278 280 A F H X45S+ 0 0 47 -3,-1.3 3,-1.4 -4,-0.5 -1,-0.2 0.926 114.2 51.6 -72.4 -45.7 7.4 0.7 27.1 279 281 A I H 3<5S+ 0 0 18 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.884 103.1 58.8 -57.5 -43.9 5.5 -2.6 26.6 280 282 A M T 3<5S- 0 0 115 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 0.476 131.5 -77.6 -69.3 -3.2 6.5 -4.0 30.0 281 283 A G T < 5S+ 0 0 60 -3,-1.4 2,-1.1 -5,-0.2 -3,-0.2 0.057 97.5 107.9 135.7 -33.3 4.9 -1.1 31.9 282 284 A D > < + 0 0 71 -5,-1.3 3,-0.7 1,-0.2 4,-0.2 -0.670 30.5 173.0 -86.7 99.2 7.1 2.0 31.8 283 285 A S T >> + 0 0 63 -2,-1.1 3,-1.5 1,-0.2 4,-0.6 0.712 66.7 82.5 -74.6 -18.9 5.6 4.6 29.6 284 286 A S H >> S+ 0 0 50 1,-0.3 4,-1.7 2,-0.2 3,-0.6 0.840 75.0 73.1 -54.3 -36.2 8.2 7.2 30.6 285 287 A V H <> S+ 0 0 3 -3,-0.7 4,-2.8 1,-0.2 -1,-0.3 0.839 88.1 62.7 -47.1 -39.3 10.7 5.7 28.0 286 288 A Q H <> S+ 0 0 40 -3,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.950 103.6 46.0 -52.6 -55.1 8.6 7.3 25.2 287 289 A D H S+ 0 0 99 -4,-1.8 4,-1.5 2,-0.2 5,-0.6 0.933 107.1 49.7 -60.5 -45.5 11.9 12.0 22.0 291 293 A E H ><5S+ 0 0 152 -4,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.947 113.9 45.0 -57.2 -51.3 14.8 13.7 23.8 292 294 A L H 3<5S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.695 108.9 56.6 -67.6 -21.7 17.3 11.4 22.3 293 295 A S H 3<5S- 0 0 4 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.786 89.6-154.8 -80.7 -26.2 15.9 11.6 18.9 294 296 A H T <<5 + 0 0 141 -4,-1.5 -3,-0.1 -3,-0.5 -2,-0.1 0.950 20.6 175.4 51.1 59.4 16.3 15.4 18.8 295 297 A E < 0 0 6 -5,-0.6 -146,-2.2 1,-0.3 -144,-0.2 0.548 360.0 360.0 -73.1 -3.9 13.5 16.0 16.4 296 298 A D 0 0 155 -148,-0.2 -1,-0.3 -147,-0.1 -2,-0.1 -0.409 360.0 360.0-116.6 360.0 14.0 19.7 16.8