==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-NOV-05 2F6F . COMPND 2 MOLECULE: TYROSINE-PROTEIN PHOSPHATASE, NON-RECEPTOR TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MONTALIBET,K.SKOREY,D.MCKAY,G.SCAPIN,E.ASANTE-APPIAH, . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 13.2 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 . 28 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.3 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 2 0 0 2 2 0 0 0 0 1 1 0 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 . 0 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 A 0 0 160 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.2 24.6 49.8 63.2 2 -2 A L + 0 0 149 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.676 360.0 148.4 -83.8 124.1 26.0 50.7 59.7 3 -1 A E - 0 0 175 -2,-0.5 2,-0.2 2,-0.0 0, 0.0 -0.868 33.4-144.0-156.5 118.4 29.8 51.2 59.7 4 0 A F - 0 0 112 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.535 23.3-117.8 -82.6 149.5 32.1 50.6 56.8 5 1 A M > - 0 0 47 -2,-0.2 4,-1.8 1,-0.1 3,-0.4 -0.510 29.3-116.1 -76.4 155.7 35.6 49.2 57.4 6 2 A E H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.887 118.0 48.7 -63.4 -36.6 38.3 51.7 56.2 7 3 A M H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.718 105.9 59.6 -77.7 -12.7 39.5 49.2 53.5 8 4 A E H > S+ 0 0 43 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.902 107.4 44.5 -74.9 -43.6 35.9 48.8 52.5 9 5 A K H X S+ 0 0 87 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.895 114.5 49.9 -67.5 -36.8 35.6 52.5 51.7 10 6 A E H X S+ 0 0 50 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.959 109.9 51.0 -64.7 -49.1 39.0 52.3 50.0 11 7 A F H X S+ 0 0 22 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.915 110.3 48.8 -53.0 -48.9 37.9 49.3 47.9 12 8 A E H X S+ 0 0 109 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.913 111.4 49.7 -61.0 -41.7 34.6 51.1 46.8 13 9 A Q H X S+ 0 0 139 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.906 113.6 45.6 -64.8 -41.4 36.5 54.2 45.8 14 10 A I H X>S+ 0 0 9 -4,-2.6 5,-1.9 2,-0.2 4,-0.7 0.937 115.6 47.1 -68.0 -44.0 39.1 52.2 43.8 15 11 A D H ><5S+ 0 0 63 -4,-2.9 3,-0.7 -5,-0.2 -2,-0.2 0.924 112.6 48.5 -61.8 -46.5 36.3 50.1 42.2 16 12 A K H 3<5S+ 0 0 169 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.885 116.6 42.4 -62.8 -40.1 34.1 53.2 41.4 17 13 A S H 3<5S- 0 0 78 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.492 105.0-130.3 -86.7 -3.1 37.1 55.0 39.8 18 14 A G T <<5 + 0 0 61 -3,-0.7 3,-0.3 -4,-0.7 -3,-0.2 0.851 61.8 137.3 57.8 38.7 38.3 51.9 38.0 19 15 A S >< + 0 0 33 -5,-1.9 4,-2.4 -6,-0.2 5,-0.2 0.031 19.2 115.3-106.8 29.5 41.9 52.4 39.3 20 16 A W H > S+ 0 0 20 -6,-0.3 4,-2.9 1,-0.2 5,-0.2 0.909 79.9 51.4 -63.3 -40.1 43.0 48.9 40.3 21 17 A A H > S+ 0 0 63 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.922 111.8 46.9 -61.8 -43.7 45.7 48.8 37.6 22 18 A A H > S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.912 114.0 47.1 -65.0 -42.6 47.1 52.2 38.8 23 19 A I H X S+ 0 0 47 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.945 114.6 46.9 -64.0 -47.3 47.0 51.1 42.4 24 20 A Y H X S+ 0 0 7 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.919 109.7 52.7 -62.4 -45.0 48.7 47.8 41.6 25 21 A Q H X S+ 0 0 92 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.867 104.9 55.8 -61.8 -33.7 51.3 49.3 39.4 26 22 A D H X S+ 0 0 98 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.897 106.1 51.1 -64.7 -38.4 52.3 51.8 42.2 27 23 A I H X S+ 0 0 4 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.938 110.1 49.7 -62.7 -44.3 52.9 48.8 44.5 28 24 A R H < S+ 0 0 120 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.905 109.8 51.4 -60.2 -40.9 55.1 47.3 41.8 29 25 A H H < S+ 0 0 146 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.913 114.9 42.5 -62.1 -42.0 57.0 50.6 41.5 30 26 A E H < S+ 0 0 113 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.567 88.1 118.9 -82.4 -10.2 57.6 50.7 45.2 31 27 A A S < S- 0 0 23 -4,-1.3 228,-0.1 -3,-0.4 224,-0.1 -0.200 71.1 -98.5 -61.9 148.3 58.5 47.0 45.8 32 28 A S - 0 0 37 223,-0.3 2,-0.4 229,-0.1 -1,-0.1 -0.226 28.2-153.9 -64.2 152.5 61.9 46.1 47.1 33 29 A D + 0 0 145 229,-0.1 226,-0.0 226,-0.0 -1,-0.0 -0.983 23.0 163.1-132.0 116.6 64.7 45.0 44.8 34 30 A F - 0 0 81 -2,-0.4 228,-0.1 1,-0.0 2,-0.0 -0.912 42.1 -88.4-129.6 158.0 67.4 42.7 46.3 35 31 A P - 0 0 83 0, 0.0 22,-2.8 0, 0.0 23,-0.4 -0.338 24.3-169.7 -70.0 151.2 69.9 40.5 44.6 36 32 A C > + 0 0 18 20,-0.3 4,-1.5 21,-0.1 20,-0.1 -0.432 32.2 146.1-130.9 51.0 69.2 36.9 43.7 37 33 A R T 4 + 0 0 186 1,-0.2 4,-0.4 2,-0.2 3,-0.1 0.895 68.9 50.5 -59.6 -44.4 72.8 35.9 42.8 38 34 A V T >4 S+ 0 0 30 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.950 108.6 52.1 -61.6 -46.4 72.6 32.3 44.0 39 35 A A T 34 S+ 0 0 2 16,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.7 52.9 -55.8 -36.1 69.4 31.6 42.0 40 36 A K T 3< S+ 0 0 111 -4,-1.5 -1,-0.3 -3,-0.1 -2,-0.2 0.443 79.1 119.8 -83.4 -2.0 71.1 33.0 38.9 41 37 A L S X S- 0 0 64 -3,-1.8 3,-2.0 -4,-0.4 4,-0.3 -0.370 73.3-119.7 -64.2 142.0 74.2 30.7 39.1 42 38 A P G > S+ 0 0 118 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.868 111.4 58.1 -49.4 -45.8 74.6 28.5 36.0 43 39 A K G 3 S+ 0 0 125 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.672 104.6 53.9 -63.0 -14.4 74.4 25.3 38.0 44 40 A N G X S+ 0 0 0 -3,-2.0 3,-1.9 -6,-0.2 4,-0.4 0.369 74.3 102.7-102.5 6.1 70.9 26.3 39.3 45 41 A K G X S+ 0 0 133 -3,-1.7 3,-1.1 1,-0.3 -1,-0.2 0.887 83.1 48.3 -55.2 -42.0 69.3 26.9 36.0 46 42 A N G 3 S+ 0 0 88 -4,-0.3 -1,-0.3 -3,-0.3 48,-0.2 0.456 102.7 64.7 -81.9 2.9 67.4 23.6 36.1 47 43 A R G < S+ 0 0 28 -3,-1.9 25,-0.5 -8,-0.2 2,-0.5 0.436 90.4 76.0-100.4 -2.5 66.2 24.4 39.7 48 44 A N < - 0 0 26 -3,-1.1 3,-0.1 -4,-0.4 6,-0.1 -0.937 60.1-162.2-113.4 130.2 64.1 27.4 38.6 49 45 A R S S+ 0 0 50 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.877 82.8 28.9 -76.2 -38.3 60.8 27.0 36.9 50 46 A Y > - 0 0 80 3,-0.4 3,-1.2 1,-0.1 -1,-0.2 -0.979 67.2-143.7-127.4 136.0 60.7 30.6 35.6 51 47 A R T 3 S+ 0 0 169 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.776 103.5 50.4 -66.2 -26.5 63.7 32.8 34.7 52 48 A D T 3 S+ 0 0 117 1,-0.1 2,-0.5 -3,-0.0 -1,-0.2 0.315 98.4 71.9 -96.3 8.3 61.9 35.9 36.1 53 49 A V < + 0 0 6 -3,-1.2 -3,-0.4 2,-0.0 -4,-0.2 -0.905 61.4 149.9-127.1 104.7 60.9 34.4 39.5 54 50 A S - 0 0 4 -2,-0.5 208,-0.6 -6,-0.1 2,-0.2 -0.954 44.8-113.0-134.8 150.9 63.8 34.0 41.9 55 51 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 206,-0.1 -0.598 38.6-111.1 -81.9 141.2 64.2 34.1 45.7 56 52 A F >> - 0 0 1 204,-0.4 4,-1.0 -2,-0.2 3,-0.6 -0.438 23.3-123.9 -67.3 147.6 66.3 37.0 47.1 57 53 A D G >4 S+ 0 0 38 -22,-2.8 3,-0.6 1,-0.2 -1,-0.1 0.905 107.5 57.8 -58.7 -40.5 69.6 35.8 48.5 58 54 A H G 34 S+ 0 0 108 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.771 118.8 27.3 -67.3 -24.6 68.9 37.4 51.9 59 55 A S G <4 S+ 0 0 10 -3,-0.6 16,-2.7 201,-0.1 -1,-0.2 0.350 88.6 125.8-117.9 7.3 65.7 35.4 52.5 60 56 A R E << -A 74 0A 32 -4,-1.0 2,-0.5 -3,-0.6 14,-0.3 -0.249 63.0-116.0 -67.8 154.8 66.2 32.2 50.5 61 57 A I E - 0 0 7 12,-2.1 10,-0.5 10,-0.4 2,-0.5 -0.788 29.1-146.8 -88.6 131.3 65.8 28.8 52.2 62 58 A K E -A 70 0A 115 -2,-0.5 2,-0.2 8,-0.1 8,-0.2 -0.863 6.7-134.2-103.5 134.3 69.1 26.9 52.2 63 59 A L - 0 0 6 6,-2.4 2,-1.4 -2,-0.5 39,-0.1 -0.569 24.1-119.5 -78.2 148.7 69.1 23.1 51.9 64 60 A H S S+ 0 0 129 -2,-0.2 2,-0.4 37,-0.1 -1,-0.1 -0.462 75.7 110.3 -89.4 62.8 71.4 21.5 54.5 65 61 A Q - 0 0 35 -2,-1.4 -2,-0.1 1,-0.1 0, 0.0 -0.993 63.7-142.1-140.6 129.5 73.7 19.8 51.9 66 62 A E S S+ 0 0 188 -2,-0.4 3,-0.2 1,-0.1 -1,-0.1 0.780 95.0 60.4 -59.6 -30.7 77.3 20.7 51.1 67 63 A D S S- 0 0 85 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.997 125.9 -13.8 -62.4 -76.1 76.9 20.1 47.4 68 64 A N - 0 0 13 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.956 54.8-174.1-135.7 114.6 74.2 22.5 46.3 69 65 A D + 0 0 46 -2,-0.4 -6,-2.4 -3,-0.2 2,-0.3 0.317 46.3 124.8 -89.8 9.4 72.1 24.3 48.9 70 66 A Y E +A 62 0A 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.554 21.8 151.8 -85.9 133.3 69.8 25.9 46.4 71 67 A I E - 0 0 8 -10,-0.5 2,-1.8 -2,-0.3 -10,-0.4 -0.973 51.0-114.2-146.5 140.1 66.0 25.7 46.2 72 68 A N E S+ 0 0 0 -25,-0.5 17,-1.4 -2,-0.3 2,-0.3 -0.604 76.3 113.5 -79.3 86.9 63.7 28.4 44.8 73 69 A A E - B 0 88A 0 -2,-1.8 -12,-2.1 15,-0.2 2,-0.3 -0.974 47.1-155.5-157.6 147.6 62.0 29.3 48.1 74 70 A S E -AB 60 87A 0 13,-2.6 13,-2.6 -2,-0.3 2,-0.6 -0.962 17.1-129.7-132.3 144.1 61.9 32.2 50.4 75 71 A L E - B 0 86A 41 -16,-2.7 2,-0.7 -2,-0.3 11,-0.2 -0.828 19.6-162.3 -93.7 118.8 61.1 32.7 54.1 76 72 A I E - B 0 85A 1 9,-3.6 9,-2.1 -2,-0.6 2,-0.7 -0.912 9.7-169.5-102.3 109.4 58.5 35.4 54.7 77 73 A K E - B 0 84A 95 -2,-0.7 2,-0.9 7,-0.2 7,-0.2 -0.895 8.3-167.1-108.0 113.8 58.8 36.5 58.3 78 74 A M E >> - B 0 83A 13 5,-2.9 5,-1.6 -2,-0.7 4,-1.3 -0.802 3.4-172.2-103.3 94.9 56.0 38.7 59.6 79 75 A E T >45S+ 0 0 168 -2,-0.9 3,-0.8 2,-0.2 -1,-0.2 0.930 80.6 41.0 -47.1 -66.3 57.2 40.1 62.9 80 76 A E T 345S+ 0 0 92 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.927 118.4 45.7 -54.2 -51.7 54.1 41.9 64.2 81 77 A A T 345S- 0 0 4 2,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.664 101.5-136.0 -67.5 -15.7 51.7 39.2 63.0 82 78 A Q T <<5 + 0 0 136 -4,-1.3 2,-0.4 -3,-0.8 -3,-0.2 0.895 61.7 127.9 59.7 39.7 54.0 36.6 64.5 83 79 A R E < -B 78 0A 34 -5,-1.6 -5,-2.9 126,-0.0 2,-0.3 -0.969 39.5-168.8-127.4 143.5 53.6 34.4 61.4 84 80 A S E -B 77 0A 43 -2,-0.4 131,-0.8 124,-0.2 2,-0.3 -0.974 7.1-179.9-129.3 143.8 56.3 32.9 59.1 85 81 A Y E -Bc 76 215A 0 -9,-2.1 -9,-3.6 -2,-0.3 2,-0.6 -0.992 23.1-142.5-142.0 146.3 55.7 31.2 55.7 86 82 A I E -Bc 75 216A 0 129,-2.8 131,-3.6 -2,-0.3 2,-0.5 -0.965 20.9-162.7-106.9 120.2 58.0 29.6 53.2 87 83 A L E +Bc 74 217A 1 -13,-2.6 -13,-2.6 -2,-0.6 2,-0.3 -0.927 19.9 163.5-103.9 131.3 56.8 30.5 49.7 88 84 A T E -Bc 73 218A 2 129,-2.5 131,-0.6 -2,-0.5 -15,-0.2 -0.933 38.0-100.4-143.7 162.4 58.2 28.3 46.9 89 85 A Q - 0 0 4 -17,-1.4 132,-0.2 -2,-0.3 131,-0.2 -0.416 54.9 -84.4 -77.3 162.5 57.5 27.4 43.3 90 86 A G - 0 0 0 130,-1.9 -1,-0.1 129,-0.4 -41,-0.1 -0.460 64.1 -94.5 -64.3 134.2 55.7 24.1 42.4 91 87 A P - 0 0 1 0, 0.0 35,-3.0 0, 0.0 -1,-0.1 -0.158 37.0-134.6 -57.1 148.1 58.4 21.4 42.4 92 88 A L >> - 0 0 22 33,-0.2 3,-1.9 -45,-0.1 4,-0.6 -0.532 31.8 -96.9 -95.0 164.0 60.1 20.5 39.2 93 89 A P T 34 S+ 0 0 106 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.857 128.4 38.5 -49.8 -37.5 60.8 16.9 38.0 94 90 A N T 34 S+ 0 0 110 -48,-0.2 4,-0.2 1,-0.2 3,-0.1 0.400 112.8 55.4 -97.1 2.8 64.3 17.3 39.4 95 91 A T T <> S+ 0 0 7 -3,-1.9 4,-2.3 2,-0.1 -1,-0.2 0.250 71.1 98.4-119.5 14.8 63.5 19.2 42.6 96 92 A C H X S+ 0 0 13 -4,-0.6 4,-2.0 -3,-0.3 5,-0.2 0.889 87.1 49.7 -67.2 -37.2 60.9 17.0 44.4 97 93 A G H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 111.7 49.1 -67.3 -37.8 63.6 15.5 46.6 98 94 A H H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.897 108.2 54.9 -64.7 -42.9 64.8 19.1 47.5 99 95 A F H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.947 112.6 40.7 -55.9 -52.0 61.3 20.2 48.2 100 96 A W H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.805 111.5 57.5 -71.3 -26.0 60.7 17.4 50.8 101 97 A E H X S+ 0 0 14 -4,-1.8 4,-3.1 -5,-0.2 5,-0.2 0.918 107.9 48.4 -67.4 -41.2 64.2 17.9 52.1 102 98 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 6,-0.3 0.941 109.1 51.9 -62.9 -46.7 63.2 21.5 52.8 103 99 A V H X>S+ 0 0 1 -4,-2.2 5,-1.5 1,-0.2 4,-0.5 0.921 114.5 44.7 -54.0 -45.3 60.0 20.4 54.5 104 100 A W H ><5S+ 0 0 23 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.965 115.5 44.5 -63.7 -55.0 62.0 18.1 56.7 105 101 A E H 3<5S+ 0 0 34 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.854 114.3 48.4 -63.1 -35.5 64.8 20.5 57.5 106 102 A Q H 3<5S- 0 0 50 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.524 105.6-127.3 -84.3 -3.6 62.5 23.5 58.2 107 103 A K T <<5 + 0 0 128 -3,-1.1 106,-2.5 -4,-0.5 -3,-0.2 0.770 43.3 175.1 64.3 28.9 60.3 21.4 60.5 108 104 A S B < -i 213 0B 4 -5,-1.5 -1,-0.2 -6,-0.3 107,-0.1 -0.320 24.4-166.9 -65.6 146.7 57.1 22.3 58.5 109 105 A R + 0 0 57 104,-0.5 67,-2.8 98,-0.4 2,-0.3 0.625 69.9 39.8-106.2 -25.8 53.9 20.7 59.6 110 106 A G E -d 176 0A 0 97,-0.4 106,-2.4 65,-0.2 2,-0.4 -0.932 54.8-160.7-132.9 153.9 51.9 21.7 56.6 111 107 A V E -de 177 216A 0 65,-2.4 67,-3.1 -2,-0.3 2,-0.5 -0.998 14.7-157.8-126.1 129.0 52.2 22.2 52.8 112 108 A V E -de 178 217A 0 104,-3.3 106,-2.4 -2,-0.4 2,-0.5 -0.961 7.7-169.7-113.1 120.3 49.6 24.4 51.1 113 109 A M E +de 179 218A 0 65,-3.0 67,-2.9 -2,-0.5 106,-0.2 -0.957 10.4 178.1-113.8 124.3 49.1 23.8 47.3 114 110 A L + 0 0 0 104,-2.2 2,-0.3 -2,-0.5 105,-0.2 0.246 58.7 59.6-111.6 12.3 47.1 26.4 45.4 115 111 A N S S- 0 0 2 103,-0.2 2,-0.3 104,-0.1 65,-0.1 -0.848 77.6-115.0-131.7 168.3 47.2 25.0 41.8 116 112 A R - 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0 0 1 -3,-0.3 -67,-0.1 -69,-0.1 5,-0.1 -0.585 68.8-109.4 -68.4 125.9 41.1 28.3 41.7 184 180 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.180 13.0-120.1 -59.8 146.2 40.0 29.0 38.1 185 181 A D S S+ 0 0 60 1,-0.1 2,-0.4 -3,-0.0 -2,-0.1 0.868 102.5 36.6 -51.3 -38.4 42.4 28.5 35.2 186 182 A F S S- 0 0 152 2,-0.1 -1,-0.1 0, 0.0 -66,-0.0 -0.933 116.9 -17.3-121.0 144.9 41.8 32.2 34.4 187 183 A G S S- 0 0 50 -2,-0.4 3,-0.0 -4,-0.1 83,-0.0 -0.256 90.6 -54.7 69.9-154.3 41.3 35.2 36.7 188 184 A V - 0 0 37 1,-0.1 -2,-0.1 -5,-0.1 82,-0.0 -0.787 65.1 -74.2-122.7 164.7 40.4 34.9 40.3 189 185 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.265 36.9-130.3 -58.0 145.9 37.5 33.2 42.2 190 186 A E S S+ 0 0 204 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.873 95.5 24.9 -64.5 -37.3 34.2 35.0 41.8 191 187 A S - 0 0 55 1,-0.1 3,-0.4 86,-0.0 4,-0.4 -0.986 69.8-142.2-129.5 141.1 33.7 34.9 45.6 192 188 A P S > S+ 0 0 8 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.507 78.5 99.4 -78.6 -3.7 36.4 34.7 48.3 193 189 A A H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 83.7 39.8 -51.2 -56.0 34.2 32.4 50.4 194 190 A S H > S+ 0 0 33 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.904 116.7 50.9 -64.9 -38.8 35.8 29.0 49.5 195 191 A F H > S+ 0 0 0 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.910 113.0 46.8 -63.9 -41.4 39.3 30.4 49.5 196 192 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.912 110.6 50.9 -66.5 -42.3 38.6 31.9 53.0 197 193 A N H X S+ 0 0 14 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.912 110.0 51.9 -60.9 -39.4 37.1 28.6 54.2 198 194 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.944 108.4 50.0 -60.4 -50.1 40.2 26.9 52.9 199 195 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.911 109.4 52.2 -56.7 -41.8 42.5 29.3 54.8 200 196 A F H X S+ 0 0 18 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.879 107.2 53.0 -63.4 -35.2 40.4 28.7 58.0 201 197 A K H X S+ 0 0 57 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.908 109.4 47.7 -66.6 -40.6 40.9 24.9 57.5 202 198 A V H <>S+ 0 0 0 -4,-2.3 5,-0.8 2,-0.2 3,-0.4 0.925 113.4 48.6 -65.8 -42.8 44.7 25.3 57.2 203 199 A R H ><5S+ 0 0 51 -4,-2.6 3,-1.9 1,-0.2 5,-0.3 0.951 108.3 53.8 -60.0 -48.8 44.6 27.5 60.4 204 200 A E H 3<5S+ 0 0 143 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.754 97.3 66.9 -59.6 -24.5 42.5 25.0 62.3 205 201 A S T 3<5S- 0 0 33 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.616 108.2-120.3 -70.9 -16.7 45.0 22.2 61.5 206 202 A G T X 5S+ 0 0 26 -3,-1.9 3,-1.7 -4,-0.4 6,-0.2 0.380 77.4 126.6 89.9 -3.4 47.6 23.9 63.7 207 203 A S T 3 S+ 0 0 6 40,-0.2 4,-2.0 41,-0.2 5,-0.1 0.980 125.1 15.7 -78.1 -80.8 50.6 34.9 42.8 225 221 A R H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.896 129.8 54.5 -61.4 -39.8 48.1 32.7 44.5 226 222 A S H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 106.6 51.6 -62.1 -39.1 50.6 32.0 47.2 227 223 A G H > S+ 0 0 1 -4,-0.2 4,-2.5 1,-0.2 5,-0.2 0.901 107.8 51.6 -64.8 -39.4 51.0 35.7 47.8 228 224 A T H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.925 108.2 52.9 -64.4 -41.6 47.2 36.1 48.2 229 225 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.952 115.3 38.1 -58.4 -52.5 47.1 33.3 50.8 230 226 A C H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.895 115.6 53.0 -69.8 -36.2 49.7 34.8 53.0 231 227 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.937 112.8 44.3 -63.8 -46.9 48.6 38.4 52.5 232 228 A A H X S+ 0 0 1 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.938 114.6 49.6 -62.6 -47.2 45.0 37.5 53.5 233 229 A D H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.942 113.6 44.5 -56.7 -51.8 46.2 35.4 56.5 234 230 A T H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.909 112.2 51.4 -64.0 -41.6 48.5 38.1 57.8 235 231 A C H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.922 111.6 47.5 -60.9 -44.6 46.1 41.0 57.4 236 232 A L H X S+ 0 0 3 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.901 111.7 50.5 -63.1 -41.0 43.3 39.1 59.2 237 233 A L H >X S+ 0 0 37 -4,-2.2 4,-1.6 -5,-0.2 3,-0.6 0.929 109.9 50.1 -63.7 -44.1 45.6 38.1 62.0 238 234 A L H 3X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.878 104.9 57.7 -62.9 -37.8 46.7 41.8 62.5 239 235 A M H 3< S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.812 110.3 44.5 -63.6 -28.3 43.2 43.0 62.6 240 236 A D H << S+ 0 0 100 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.746 116.9 45.4 -84.2 -25.8 42.6 40.6 65.5 241 237 A K H < S+ 0 0 99 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.851 96.1 82.0 -87.2 -37.0 45.8 41.6 67.3 242 238 A R S < S- 0 0 68 -4,-2.8 6,-0.0 -5,-0.2 4,-0.0 -0.348 72.7-134.5 -75.4 151.1 45.8 45.4 67.0 243 239 A K S S+ 0 0 221 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.830 106.9 40.8 -67.1 -32.8 44.0 47.8 69.3 244 240 A D > - 0 0 87 1,-0.1 3,-1.8 2,-0.0 -1,-0.3 -0.849 67.9-178.0-120.9 94.2 42.9 49.6 66.1 245 241 A P G > S+ 0 0 58 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.782 79.8 68.4 -60.4 -29.1 41.9 47.1 63.3 246 242 A S G 3 S+ 0 0 64 1,-0.3 -7,-0.1 -7,-0.1 -2,-0.0 0.581 86.4 71.3 -70.0 -6.1 41.2 49.9 60.9 247 243 A S G < + 0 0 50 -3,-1.8 2,-0.6 -8,-0.1 -1,-0.3 0.553 68.5 108.5 -84.6 -8.6 45.0 50.6 60.9 248 244 A V < - 0 0 8 -3,-1.8 2,-0.7 -4,-0.1 -241,-0.1 -0.603 53.8-165.7 -74.5 116.7 45.8 47.4 59.0 249 245 A D > - 0 0 40 -2,-0.6 4,-2.5 1,-0.2 3,-0.4 -0.899 11.7-160.3-107.8 108.0 46.8 48.6 55.5 250 246 A I H > S+ 0 0 2 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.859 92.1 54.4 -57.4 -37.0 46.8 45.8 53.0 251 247 A K H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 110.1 46.6 -64.3 -40.6 49.1 47.7 50.6 252 248 A K H > S+ 0 0 150 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.892 112.4 49.6 -67.4 -40.7 51.7 48.3 53.4 253 249 A V H X S+ 0 0 11 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.924 110.5 51.1 -64.0 -43.4 51.5 44.6 54.5 254 250 A L H X S+ 0 0 1 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.918 109.8 49.0 -61.3 -43.1 52.0 43.5 50.8 255 251 A L H < S+ 0 0 49 -4,-2.2 -223,-0.3 2,-0.2 4,-0.3 0.899 109.6 52.8 -63.1 -38.3 55.1 45.8 50.4 256 252 A E H >< S+ 0 0 62 -4,-2.0 3,-1.6 1,-0.2 4,-0.3 0.947 110.5 47.4 -61.3 -48.2 56.5 44.4 53.7 257 253 A M H >X S+ 0 0 1 -4,-2.5 3,-2.2 1,-0.3 4,-0.9 0.880 102.7 63.0 -61.1 -37.0 56.1 40.8 52.4 258 254 A R T 3< S+ 0 0 12 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.552 86.6 73.9 -67.4 -3.5 57.7 41.8 49.1 259 255 A K T <4 S+ 0 0 89 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.740 104.8 38.3 -76.8 -21.2 60.8 42.5 51.0 260 256 A F T <4 S+ 0 0 36 -3,-2.2 -204,-0.4 1,-0.3 2,-0.3 0.644 129.3 15.1-104.2 -21.5 61.2 38.8 51.3 261 257 A R S >< S- 0 0 0 -4,-0.9 3,-0.7 -206,-0.1 -1,-0.3 -0.931 79.2-119.4-156.4 133.5 60.1 37.5 47.9 262 258 A M T 3 S+ 0 0 49 -208,-0.6 -3,-0.1 -2,-0.3 -229,-0.1 -0.266 84.4 17.4 -72.2 156.4 59.5 39.3 44.7 263 259 A G T 3 + 0 0 12 1,-0.2 -1,-0.2 -5,-0.1 -36,-0.1 0.474 67.9 174.3 66.5 8.2 56.3 39.7 42.8 264 260 A L < + 0 0 2 -3,-0.7 -40,-0.2 -10,-0.1 -1,-0.2 -0.297 69.3 23.6 -54.1 123.6 53.8 38.6 45.5 265 261 A I S S- 0 0 0 -42,-2.1 -41,-0.2 -41,-0.1 -40,-0.1 0.799 77.2-156.9 78.3 105.3 50.3 39.2 43.9 266 262 A Q + 0 0 84 1,-0.0 2,-0.3 2,-0.0 -42,-0.1 0.560 62.9 29.3 -91.9 -11.1 50.8 39.1 40.1 267 263 A T S > S- 0 0 58 1,-0.1 4,-1.7 -43,-0.1 3,-0.2 -0.961 75.7-113.9-145.5 162.6 47.8 41.0 38.8 268 264 A A H > S+ 0 0 20 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.857 118.7 58.0 -64.4 -33.0 45.6 43.9 39.7 269 265 A D H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.861 104.1 50.7 -64.6 -36.1 42.7 41.3 39.8 270 266 A Q H > S+ 0 0 22 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.865 110.4 50.0 -69.2 -34.2 44.7 39.3 42.4 271 267 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.957 111.7 47.4 -65.2 -50.0 45.1 42.5 44.5 272 268 A R H X S+ 0 0 77 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.928 112.3 50.1 -56.6 -44.7 41.4 43.3 44.2 273 269 A F H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.867 106.8 54.8 -61.7 -38.9 40.6 39.7 45.2 274 270 A S H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.905 108.3 49.1 -62.6 -41.1 42.9 39.9 48.2 275 271 A Y H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.946 111.3 50.1 -61.1 -48.7 41.0 43.0 49.4 276 272 A L H X S+ 0 0 44 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.905 110.7 49.4 -56.6 -43.9 37.7 41.1 49.0 277 273 A A H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.921 113.1 45.5 -63.4 -45.4 39.1 38.2 51.0 278 274 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.942 114.8 48.1 -64.6 -45.5 40.3 40.3 53.8 279 275 A I H X S+ 0 0 10 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.949 117.3 40.5 -60.5 -50.9 37.1 42.3 54.0 280 276 A E H X S+ 0 0 32 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.842 116.0 51.7 -68.8 -31.3 34.8 39.3 53.9 281 277 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.888 108.5 50.4 -71.9 -37.7 37.1 37.4 56.2 282 278 A A H X S+ 0 0 14 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.882 111.1 49.4 -66.7 -37.8 37.1 40.2 58.8 283 279 A K H <>S+ 0 0 59 -4,-1.8 5,-1.2 -5,-0.2 -2,-0.2 0.893 111.6 48.3 -68.5 -41.2 33.3 40.4 58.7 284 280 A F H ><5S+ 0 0 51 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.953 110.5 50.2 -63.2 -49.6 32.9 36.7 59.2 285 281 A I H 3<5S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 108.0 56.4 -58.1 -29.4 35.4 36.7 62.1 286 282 A M T 3<5S- 0 0 136 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.307 119.4-111.2 -86.2 8.7 33.3 39.6 63.5 287 283 A G T < 5 - 0 0 47 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.962 47.8-177.1 62.0 56.3 30.1 37.5 63.5 288 284 A D >< - 0 0 64 -5,-1.2 4,-2.1 1,-0.1 5,-0.2 -0.741 27.4-134.3 -91.3 132.4 28.2 39.4 60.7 289 285 A S H > S+ 0 0 75 -2,-0.4 4,-1.7 2,-0.2 -1,-0.1 0.905 99.1 43.3 -44.9 -62.8 24.7 38.3 59.9 290 286 A S H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.955 115.8 44.5 -52.4 -62.9 24.9 38.3 56.1 291 287 A V H 4 S+ 0 0 7 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.813 111.1 55.7 -55.0 -35.5 28.4 36.6 55.6 292 288 A Q H >X S+ 0 0 87 -4,-2.1 4,-3.0 2,-0.2 3,-0.7 0.940 107.6 45.1 -67.0 -50.0 27.6 33.9 58.2 293 289 A D H 3X S+ 0 0 111 -4,-1.7 4,-1.7 1,-0.2 5,-0.3 0.966 112.4 48.9 -58.5 -58.5 24.4 32.5 56.7 294 290 A Q H 3<>S+ 0 0 105 -4,-1.6 5,-0.8 1,-0.2 4,-0.3 0.599 119.8 44.7 -58.5 -10.6 25.6 32.3 53.1 295 291 A W H <4>S+ 0 0 5 -3,-0.7 5,-2.2 -4,-0.3 4,-0.3 0.890 106.0 50.7 -97.2 -63.0 28.7 30.6 54.6 296 292 A K H <>S+ 0 0 65 -4,-3.0 5,-1.1 3,-0.2 -2,-0.1 0.854 117.8 41.5 -44.8 -46.9 27.5 28.0 57.1 297 293 A E T <5S+ 0 0 69 -4,-1.7 4,-0.2 -5,-0.3 -1,-0.2 0.995 135.3 6.3 -68.2 -70.7 25.1 26.5 54.6 298 294 A L T 5S+ 0 0 64 -5,-0.3 -3,-0.2 -4,-0.3 -2,-0.1 0.913 127.8 53.1 -85.6 -48.9 26.9 26.3 51.3 299 295 A F T