==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (HYDROLASE/PEPTIDE) 21-APR-95 1PTU . COMPND 2 MOLECULE: PROTEIN TYROSINE PHOSPHATASE 1B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.BARFORD,Z.JIA . 303 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.5 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 . 23 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 3 0 1 0 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 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 2 A E > 0 0 117 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 173.7 73.6 -11.0 59.4 2 3 A M H > + 0 0 19 2,-0.2 4,-3.9 1,-0.2 5,-0.2 0.772 360.0 58.3 -72.2 -27.5 71.8 -8.3 57.4 3 4 A E H > S+ 0 0 87 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.858 106.4 47.2 -69.5 -33.5 75.3 -7.6 56.3 4 5 A K H > S+ 0 0 135 2,-0.2 4,-2.9 3,-0.2 -2,-0.2 0.980 115.3 44.8 -67.1 -55.5 75.4 -11.2 55.1 5 6 A E H X S+ 0 0 40 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.898 113.9 49.3 -54.5 -46.5 72.1 -10.8 53.4 6 7 A F H X S+ 0 0 10 -4,-3.9 4,-2.5 2,-0.2 -1,-0.2 0.896 111.0 49.9 -59.8 -45.1 73.1 -7.4 51.9 7 8 A E H X S+ 0 0 113 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.936 115.1 46.5 -58.1 -43.0 76.3 -9.0 50.7 8 9 A Q H X S+ 0 0 100 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.890 113.3 44.3 -67.8 -47.9 74.1 -11.8 49.2 9 10 A I H X>S+ 0 0 1 -4,-3.4 4,-2.6 2,-0.2 5,-2.0 0.912 112.5 54.6 -65.7 -42.9 71.4 -9.7 47.5 10 11 A D H <5S+ 0 0 58 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.960 109.4 47.2 -54.6 -51.1 74.1 -7.4 46.2 11 12 A K H <5S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 119.0 39.5 -58.9 -43.0 75.9 -10.4 44.6 12 13 A S H <5S- 0 0 48 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.710 104.0-130.2 -79.4 -17.8 72.7 -11.7 43.1 13 14 A G T <5 + 0 0 58 -4,-2.6 3,-0.3 -5,-0.2 4,-0.3 0.860 57.1 147.8 68.2 38.2 71.4 -8.3 42.2 14 15 A S >< + 0 0 34 -5,-2.0 4,-2.7 1,-0.2 5,-0.2 0.057 23.8 112.4 -96.1 29.7 68.1 -9.1 43.8 15 16 A W H > S+ 0 0 24 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.983 82.2 41.4 -65.4 -53.5 67.2 -5.7 45.1 16 17 A A H > S+ 0 0 65 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.874 118.4 48.3 -59.2 -42.3 64.1 -5.2 42.8 17 18 A A H >> S+ 0 0 57 -4,-0.3 4,-2.1 2,-0.2 3,-0.8 0.987 112.5 46.1 -63.1 -59.5 63.1 -8.8 43.3 18 19 A I H 3X S+ 0 0 30 -4,-2.7 4,-1.2 1,-0.3 -1,-0.2 0.821 112.5 53.2 -51.1 -36.8 63.4 -8.7 47.1 19 20 A Y H 3X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.3 0.829 105.5 52.1 -72.9 -32.3 61.6 -5.4 47.1 20 21 A Q H + 0 0 24 20,-0.3 4,-1.0 21,-0.1 20,-0.1 -0.420 35.1 142.1-143.0 45.3 41.5 4.6 53.5 32 33 A R T 4 + 0 0 166 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.894 68.7 48.8 -60.5 -47.7 37.8 5.4 53.4 33 34 A V T >4 S+ 0 0 34 1,-0.2 3,-1.3 2,-0.2 6,-0.3 0.878 106.8 59.0 -61.4 -38.2 37.9 8.9 55.1 34 35 A A T 34 S+ 0 0 2 16,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.779 106.9 47.2 -60.3 -32.0 40.8 9.9 52.7 35 36 A K T 3< S+ 0 0 120 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.401 76.7 127.1 -94.2 -0.6 38.7 9.3 49.7 36 37 A L S X S- 0 0 65 -3,-1.3 3,-0.8 -4,-0.3 4,-0.5 -0.364 71.1-122.7 -53.4 136.3 35.6 11.2 50.9 37 38 A P G > S+ 0 0 120 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.800 112.1 56.9 -53.7 -29.5 34.8 13.6 48.1 38 39 A K G > S+ 0 0 121 1,-0.2 3,-0.6 2,-0.1 -4,-0.1 0.859 102.1 52.6 -72.7 -34.5 35.1 16.4 50.7 39 40 A N G X S+ 0 0 0 -3,-0.8 3,-1.9 -6,-0.3 -1,-0.2 0.441 80.4 102.6 -83.0 5.5 38.7 15.5 51.6 40 41 A K G X S+ 0 0 153 -3,-0.7 3,-1.3 -4,-0.5 -1,-0.2 0.879 79.7 47.1 -52.8 -49.0 39.8 15.6 48.0 41 42 A N G < S+ 0 0 93 -3,-0.6 -1,-0.3 1,-0.3 48,-0.2 0.368 100.9 70.0 -76.4 -0.7 41.5 18.9 48.2 42 43 A R G < S+ 0 0 19 -3,-1.9 25,-0.6 -8,-0.1 2,-0.5 0.308 88.8 76.4 -97.8 13.1 43.2 17.8 51.4 43 44 A N < - 0 0 22 -3,-1.3 3,-0.1 1,-0.1 6,-0.1 -0.972 57.3-163.2-130.7 124.1 45.4 15.3 49.6 44 45 A R S S+ 0 0 36 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.883 82.2 38.7 -66.9 -43.6 48.5 16.1 47.5 45 46 A Y > - 0 0 24 3,-0.4 3,-1.5 1,-0.1 257,-0.2 -0.961 66.3-147.1-118.5 134.5 48.6 12.7 45.7 46 47 A R T 3 S+ 0 0 100 255,-1.9 256,-0.2 -2,-0.4 -1,-0.1 0.809 102.0 44.7 -59.0 -37.5 45.6 10.7 44.5 47 48 A D T 3 S+ 0 0 35 254,-0.5 2,-0.5 1,-0.1 -1,-0.3 0.254 99.3 74.4 -96.3 6.8 47.4 7.5 45.2 48 49 A V < + 0 0 1 -3,-1.5 -3,-0.4 256,-0.0 -4,-0.1 -0.900 57.7 148.2-129.0 108.4 48.9 8.2 48.6 49 50 A S - 0 0 7 -2,-0.5 208,-0.5 -6,-0.1 2,-0.3 -0.876 44.8-104.8-134.0 158.2 46.5 8.1 51.6 50 51 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 2,-0.2 -0.642 35.0-114.7 -86.2 148.3 46.5 7.2 55.2 51 52 A F >> - 0 0 4 204,-0.5 4,-1.1 -2,-0.3 3,-0.5 -0.546 26.9-126.9 -71.6 144.9 44.9 4.0 56.5 52 53 A D G >4 S+ 0 0 30 -22,-2.2 3,-0.8 1,-0.2 -1,-0.1 0.929 105.5 60.1 -64.6 -40.4 41.9 5.0 58.7 53 54 A H G 34 S+ 0 0 115 -23,-0.3 -1,-0.2 1,-0.3 -22,-0.1 0.821 119.3 27.6 -59.8 -28.6 43.0 2.9 61.6 54 55 A S G <4 S+ 0 0 9 -3,-0.5 16,-3.0 201,-0.2 -1,-0.3 0.358 89.4 123.2-113.7 -0.3 46.3 4.9 61.9 55 56 A R B << -A 69 0A 29 -4,-1.1 2,-0.4 -3,-0.8 14,-0.2 -0.241 63.7-118.7 -63.7 151.4 45.3 8.2 60.4 56 57 A I - 0 0 9 12,-1.9 2,-0.5 10,-0.4 10,-0.4 -0.792 26.1-145.5 -90.3 132.5 45.9 11.3 62.7 57 58 A K - 0 0 120 -2,-0.4 2,-0.2 8,-0.1 8,-0.2 -0.923 9.5-130.3-104.2 128.6 42.7 13.2 63.5 58 59 A L - 0 0 3 6,-2.0 2,-1.0 -2,-0.5 39,-0.1 -0.523 17.9-129.7 -72.0 134.8 42.7 17.0 63.9 59 60 A H S S+ 0 0 131 -2,-0.2 2,-0.2 37,-0.1 -1,-0.1 -0.058 70.0 133.4 -74.3 37.2 40.9 18.0 67.1 60 61 A Q - 0 0 43 -2,-1.0 77,-0.0 3,-0.2 -2,-0.0 -0.620 55.9-147.6 -86.7 145.1 39.1 20.3 64.6 61 62 A E S S+ 0 0 187 -2,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.939 90.7 53.7 -78.0 -47.3 35.3 20.3 65.0 62 63 A D S S- 0 0 131 1,-0.1 2,-0.4 -3,-0.1 -1,-0.0 0.917 127.2 -13.5 -46.5 -80.8 34.7 20.9 61.3 63 64 A N - 0 0 15 2,-0.1 -3,-0.2 1,-0.0 -1,-0.1 -0.935 55.9-158.8-128.3 141.3 36.6 18.3 59.3 64 65 A D + 0 0 52 -2,-0.4 -6,-2.0 -3,-0.1 2,-0.2 0.279 49.2 124.6-111.3 16.2 39.2 16.1 61.1 65 66 A Y + 0 0 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.510 19.6 150.4 -87.0 141.3 41.1 15.0 58.1 66 67 A I - 0 0 9 -10,-0.4 2,-1.9 -2,-0.2 -10,-0.4 -0.906 51.0-116.0-159.9 124.9 44.9 15.4 57.3 67 68 A N S S+ 0 0 1 -25,-0.6 17,-1.4 -2,-0.3 2,-0.3 -0.615 74.7 119.0 -68.0 85.3 46.9 13.0 55.1 68 69 A A E - B 0 83A 0 -2,-1.9 -12,-1.9 15,-0.2 2,-0.4 -0.956 47.4-151.0-153.8 147.8 49.1 11.8 58.0 69 70 A S E -AB 55 82A 0 13,-3.3 13,-2.3 -2,-0.3 2,-1.0 -0.945 15.0-133.7-127.6 138.4 49.8 8.5 59.7 70 71 A L E - B 0 81A 50 -16,-3.0 2,-1.1 -2,-0.4 11,-0.2 -0.746 17.3-165.4 -93.7 105.7 50.9 7.4 63.1 71 72 A I E - B 0 80A 0 9,-2.9 9,-2.1 -2,-1.0 2,-0.5 -0.803 12.8-172.2 -84.8 95.9 53.6 4.9 62.8 72 73 A K E - B 0 79A 135 -2,-1.1 2,-0.6 7,-0.2 7,-0.3 -0.848 7.5-156.6 -95.0 128.0 53.6 3.5 66.4 73 74 A M E >> - B 0 78A 11 5,-1.6 4,-2.1 -2,-0.5 5,-1.2 -0.786 8.0-170.3-115.1 99.5 56.6 1.1 66.9 74 75 A E T 45S+ 0 0 176 -2,-0.6 3,-0.3 2,-0.2 -1,-0.2 0.866 83.8 29.1 -47.8 -72.4 56.1 -1.4 69.8 75 76 A E T 45S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.971 121.2 52.1 -58.4 -54.7 59.4 -3.1 70.2 76 77 A A T 45S- 0 0 3 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.740 99.6-139.3 -52.1 -26.5 61.5 -0.0 69.1 77 78 A Q T <5 + 0 0 141 -4,-2.1 2,-0.3 -3,-0.3 -3,-0.2 0.751 62.8 117.5 69.5 20.6 59.5 2.0 71.6 78 79 A R E < -B 73 0A 44 -5,-1.2 -5,-1.6 126,-0.0 2,-0.4 -0.973 45.6-166.3-127.1 144.9 59.3 4.8 69.0 79 80 A S E -B 72 0A 34 -2,-0.3 131,-0.8 -7,-0.3 2,-0.3 -0.973 5.9-175.6-123.7 138.7 56.4 6.5 67.1 80 81 A Y E -Bc 71 210A 0 -9,-2.1 -9,-2.9 -2,-0.4 2,-0.6 -0.936 21.1-139.0-131.4 151.3 56.7 8.9 64.1 81 82 A I E -Bc 70 211A 0 129,-2.8 131,-3.1 -2,-0.3 2,-0.4 -0.971 22.2-165.7-111.1 105.2 53.9 10.8 62.3 82 83 A L E +Bc 69 212A 1 -13,-2.3 -13,-3.3 -2,-0.6 2,-0.3 -0.845 18.4 159.6 -92.6 140.3 54.5 10.5 58.6 83 84 A T E -Bc 68 213A 2 129,-1.5 131,-0.8 -2,-0.4 -15,-0.2 -0.909 37.6 -95.5-150.9 168.5 52.6 13.0 56.4 84 85 A Q - 0 0 7 -17,-1.4 132,-0.3 -2,-0.3 131,-0.2 -0.325 55.7 -78.2 -81.0 173.3 52.6 14.6 52.9 85 86 A G - 0 0 0 130,-3.4 -1,-0.1 34,-0.3 130,-0.1 -0.636 64.9-107.5 -71.9 115.5 54.1 18.0 52.0 86 87 A P - 0 0 3 0, 0.0 35,-2.7 0, 0.0 5,-0.1 -0.056 30.9-130.4 -45.8 146.0 51.4 20.3 53.2 87 88 A L >> - 0 0 27 33,-0.2 3,-2.2 -45,-0.1 4,-0.9 -0.545 29.9 -98.3 -91.3 163.9 49.3 22.0 50.5 88 89 A P G >4 S+ 0 0 112 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.930 128.8 44.3 -49.2 -41.3 48.5 25.8 50.4 89 90 A N G 34 S+ 0 0 62 1,-0.2 4,-0.2 -48,-0.2 3,-0.1 0.512 113.6 49.8 -82.6 -1.5 45.2 24.9 52.0 90 91 A T G <> S+ 0 0 5 -3,-2.2 4,-2.6 2,-0.1 -1,-0.2 0.335 74.4 93.5-123.5 10.8 46.6 22.5 54.7 91 92 A C H S+ 0 0 4 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.966 111.4 43.6 -65.3 -49.5 47.0 25.4 59.0 93 94 A H H > S+ 0 0 11 -4,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.887 111.7 53.4 -59.2 -48.2 46.1 21.7 59.6 94 95 A F H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.946 113.0 42.9 -54.3 -49.3 49.8 20.6 59.5 95 96 A W H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.911 111.7 55.4 -67.8 -34.1 50.6 23.1 62.2 96 97 A E H X S+ 0 0 16 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.923 108.0 49.2 -60.2 -47.5 47.4 22.2 64.1 97 98 A M H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 6,-0.2 0.914 109.0 52.3 -59.9 -43.3 48.5 18.5 64.1 98 99 A V H X>S+ 0 0 0 -4,-2.2 5,-1.7 -5,-0.2 4,-0.6 0.942 113.4 44.9 -60.0 -40.2 52.0 19.5 65.4 99 100 A W H ><5S+ 0 0 27 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.986 117.6 41.3 -67.5 -53.0 50.3 21.4 68.2 100 101 A E H 3<5S+ 0 0 34 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.796 116.5 48.1 -64.5 -34.8 47.8 18.8 69.2 101 102 A Q H 3<5S- 0 0 47 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.500 105.6-131.6 -82.6 -7.5 50.2 15.9 68.8 102 103 A K T <<5 + 0 0 126 -3,-1.3 106,-3.3 -4,-0.6 -3,-0.2 0.860 40.3 174.1 58.9 38.2 52.7 17.8 70.9 103 104 A S < - 0 0 4 -5,-1.7 -1,-0.2 -6,-0.2 107,-0.1 -0.485 22.8-169.0 -73.1 152.6 55.6 17.2 68.4 104 105 A R + 0 0 51 104,-0.4 67,-2.6 98,-0.3 2,-0.3 0.587 68.6 43.4-113.5 -25.5 59.0 18.9 69.1 105 106 A G E -d 171 0A 0 97,-0.3 106,-1.7 65,-0.2 2,-0.4 -0.904 57.6-161.6-125.8 154.8 60.7 18.2 65.8 106 107 A V E -de 172 211A 0 65,-1.5 67,-3.7 -2,-0.3 2,-0.6 -0.998 8.8-158.2-133.1 128.3 59.8 18.2 62.1 107 108 A V E -de 173 212A 0 104,-2.6 106,-2.8 -2,-0.4 2,-0.8 -0.931 6.4-170.8-112.4 107.1 61.9 16.4 59.6 108 109 A M E +de 174 213A 0 65,-2.3 67,-2.8 -2,-0.6 106,-0.2 -0.875 7.1 178.4 -99.0 111.3 61.5 17.7 56.1 109 110 A L + 0 0 0 104,-2.9 2,-0.2 -2,-0.8 105,-0.2 0.355 59.9 57.5 -97.7 11.1 63.2 15.3 53.7 110 111 A N S S- 0 0 1 103,-0.2 2,-0.4 104,-0.1 65,-0.1 -0.785 77.5-114.5-133.8 170.8 62.3 17.1 50.6 111 112 A R - 0 0 112 -2,-0.2 8,-0.1 67,-0.2 -2,-0.0 -0.852 27.2-121.7-107.5 145.5 62.6 20.5 48.9 112 113 A V S S+ 0 0 30 -2,-0.4 7,-3.7 1,-0.2 8,-1.2 0.872 104.7 32.6 -52.1 -44.1 59.6 22.7 48.1 113 114 A M E S+I 118 0B 107 5,-0.3 2,-0.4 6,-0.2 5,-0.2 -0.971 75.2 178.0-117.1 119.9 60.4 22.8 44.3 114 115 A E E > -I 117 0B 7 3,-3.4 3,-2.4 -2,-0.5 -4,-0.0 -0.995 66.2 -19.1-131.5 126.2 62.0 19.7 42.9 115 116 A K T 3 S- 0 0 186 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.899 127.5 -49.2 43.4 59.6 62.8 19.2 39.2 116 117 A G T 3 S+ 0 0 79 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.295 120.9 101.4 69.9 -7.8 60.5 22.0 38.0 117 118 A S E < S-I 114 0B 68 -3,-2.4 -3,-3.4 2,-0.0 2,-0.3 -0.857 73.4-120.2-113.0 145.5 57.5 20.7 40.1 118 119 A L E +I 113 0B 112 -2,-0.4 -5,-0.3 -5,-0.2 -6,-0.1 -0.621 31.9 170.3 -75.8 140.0 56.1 21.9 43.4 119 120 A K + 0 0 14 -7,-3.7 -34,-0.3 1,-0.4 2,-0.3 0.518 61.2 10.7-129.1 -10.3 56.2 19.2 46.1 120 121 A C S S- 0 0 4 -8,-1.2 -1,-0.4 -36,-0.1 -33,-0.2 -0.941 73.3-105.9-172.6 141.0 55.4 21.1 49.2 121 122 A A - 0 0 16 -35,-2.7 2,-1.9 -2,-0.3 -34,-0.1 -0.322 38.4-107.1 -73.8 155.0 54.1 24.4 50.5 122 123 A Q + 0 0 62 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 -0.704 53.8 167.0 -79.7 83.8 56.3 27.0 52.1 123 124 A Y + 0 0 0 -2,-1.9 -1,-0.2 2,-0.1 9,-0.1 0.368 53.7 46.1 -89.8 2.2 54.6 26.1 55.3 124 125 A W S S- 0 0 7 -3,-0.0 2,-0.2 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66.8 1.5 67.9 233 234 A L H 3X S+ 0 0 10 -4,-2.3 4,-2.0 1,-0.3 5,-0.3 0.920 107.8 58.4 -55.1 -53.9 66.1 -2.2 68.1 234 235 A M H 3<>S+ 0 0 4 -4,-2.5 5,-0.7 1,-0.2 -1,-0.3 0.822 114.5 40.1 -48.8 -34.3 69.7 -3.2 67.6 235 236 A D H X<5S+ 0 0 50 -4,-1.1 3,-1.5 -3,-0.5 -2,-0.2 0.910 108.6 57.9 -78.4 -47.3 70.4 -1.2 70.7 236 237 A K H 3<5S+ 0 0 110 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.707 126.6 24.1 -56.1 -22.1 67.3 -2.3 72.6 237 238 A R T 3<5S- 0 0 65 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.343 88.7-156.1-126.2 17.0 68.7 -5.7 72.1 238 239 A K T < 5S+ 0 0 144 -3,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.657 76.1 97.5 -0.9 52.7 72.4 -4.6 71.7 239 240 A D > < - 0 0 84 -5,-0.7 3,-1.4 -6,-0.2 -1,-0.2 -0.703 58.4-177.8-155.9 69.3 72.6 -8.0 69.8 240 241 A P G > + 0 0 29 0, 0.0 3,-1.8 0, 0.0 -6,-0.1 0.805 64.9 82.2 -46.5 -39.6 72.2 -6.3 66.3 241 242 A S G 3 S+ 0 0 82 1,-0.3 -7,-0.1 -7,-0.1 -239,-0.0 0.778 81.0 62.0 -40.4 -43.3 72.2 -9.7 64.6 242 243 A S G < S+ 0 0 50 -3,-1.4 2,-0.7 -5,-0.1 -1,-0.3 0.143 76.9 114.4 -79.2 21.2 68.6 -10.4 65.3 243 244 A V < - 0 0 7 -3,-1.8 2,-0.7 -9,-0.0 -241,-0.1 -0.843 44.3-169.6-103.0 113.7 67.3 -7.4 63.3 244 245 A D > - 0 0 68 -2,-0.7 4,-1.9 1,-0.2 5,-0.1 -0.896 1.0-171.9 -96.2 113.0 65.3 -8.2 60.2 245 246 A I H > S+ 0 0 1 -2,-0.7 4,-3.5 2,-0.2 5,-0.2 0.952 84.5 55.9 -69.7 -48.7 64.9 -5.0 58.3 246 247 A K H > S+ 0 0 62 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.871 112.1 45.8 -53.0 -39.3 62.4 -6.4 55.7 247 248 A K H > S+ 0 0 150 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.900 110.3 51.6 -72.9 -38.4 60.3 -7.4 58.7 248 249 A V H X S+ 0 0 12 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.979 111.9 49.1 -60.5 -44.9 60.7 -4.0 60.4 249 250 A L H X S+ 0 0 0 -4,-3.5 4,-2.6 1,-0.3 -2,-0.2 0.898 109.8 50.1 -58.9 -45.0 59.6 -2.5 57.1 250 251 A L H < S+ 0 0 26 -4,-2.3 -223,-0.3 -5,-0.2 -1,-0.3 0.869 110.0 50.6 -65.4 -35.1 56.6 -4.8 56.9 251 252 A E H >< S+ 0 0 69 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.923 111.6 49.1 -66.6 -43.2 55.6 -3.9 60.4 252 253 A M H >X S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 4,-1.1 0.891 100.7 62.8 -63.1 -37.9 55.9 -0.2 59.4 253 254 A R T 3< S+ 0 0 15 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.374 90.3 72.1 -71.6 10.8 53.8 -0.6 56.2 254 255 A K T <4 S+ 0 0 73 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.542 102.5 39.6 -92.4 -18.4 50.9 -1.6 58.6 255 256 A F T <4 S+ 0 0 35 -3,-2.0 -204,-0.5 1,-0.5 2,-0.3 0.711 132.1 6.9-101.9 -30.8 50.5 2.0 59.7 256 257 A R S >< S- 0 0 0 -4,-1.1 3,-0.6 -206,-0.1 -1,-0.5 -0.973 81.7-107.4-153.2 146.9 51.1 3.8 56.5 257 258 A M T 3 S+ 0 0 45 -208,-0.5 3,-0.1 -2,-0.3 -3,-0.1 -0.315 84.9 10.2 -82.8 146.9 51.5 2.6 52.9 258 259 A G T 3 + 0 0 12 1,-0.2 2,-0.5 -5,-0.2 -1,-0.2 0.640 65.2 177.6 71.5 13.8 54.5 2.5 50.6 259 260 A L S < S+ 0 0 0 -3,-0.6 -1,-0.2 -10,-0.1 -40,-0.2 -0.429 71.7 25.3 -56.7 108.9 57.0 3.2 53.2 260 261 A I S S- 0 0 0 -42,-2.4 -41,-0.2 -2,-0.5 -40,-0.1 0.704 72.5-163.1 88.8 110.1 60.1 2.9 51.0 261 262 A Q + 0 0 5 1,-0.0 2,-0.3 43,-0.0 -42,-0.1 0.436 62.0 40.7 -97.4 -12.2 59.4 3.5 47.3 262 263 A T S > S- 0 0 21 1,-0.1 4,-1.6 -43,-0.1 5,-0.1 -0.981 71.1-123.4-143.6 157.3 62.3 2.1 45.4 263 264 A A H > S+ 0 0 21 -2,-0.3 4,-3.1 1,-0.2 3,-0.2 0.941 115.4 51.5 -64.2 -43.8 64.6 -0.9 45.5 264 265 A D H > S+ 0 0 84 1,-0.3 4,-3.1 2,-0.3 -1,-0.2 0.863 105.7 53.7 -62.1 -37.6 67.6 1.3 45.8 265 266 A Q H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.870 111.2 49.2 -62.6 -31.9 66.1 3.2 48.8 266 267 A L H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 -2,-0.3 0.955 111.6 46.5 -71.4 -47.5 65.7 -0.4 50.2 267 268 A R H X S+ 0 0 68 -4,-3.1 4,-1.7 1,-0.2 3,-0.3 0.890 111.9 52.6 -60.0 -37.4 69.3 -1.1 49.4 268 269 A F H X S+ 0 0 11 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.914 100.6 60.0 -63.7 -46.4 70.3 2.2 50.9 269 270 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.843 106.0 49.7 -50.0 -38.0 68.4 1.4 54.1 270 271 A Y H X S+ 0 0 0 -4,-1.3 4,-3.4 -3,-0.3 -1,-0.2 0.952 110.2 48.1 -65.5 -53.7 70.7 -1.6 54.6 271 272 A L H X S+ 0 0 43 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.935 114.6 47.5 -52.0 -52.1 73.9 0.4 54.0 272 273 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.916 115.3 43.5 -58.4 -48.6 72.8 3.0 56.4 273 274 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.912 114.6 50.3 -64.0 -44.7 71.7 0.5 59.2 274 275 A I H >X S+ 0 0 31 -4,-3.4 4,-1.0 1,-0.2 3,-0.6 0.996 113.8 44.6 -58.5 -63.8 74.8 -1.6 58.7 275 276 A E H >X S+ 0 0 38 -4,-2.8 3,-0.8 1,-0.2 4,-0.6 0.860 110.3 57.6 -43.9 -48.2 77.1 1.5 59.0 276 277 A G H >X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.3 3,-1.5 0.874 95.7 60.1 -50.8 -51.4 75.1 2.8 62.0 277 278 A A H S+ 0 0 110 -4,-1.0 5,-2.0 -3,-0.8 -1,-0.3 0.929 107.7 36.0 -47.5 -42.7 79.3 0.4 63.9 279 280 A F H X<5S+ 0 0 63 -3,-1.5 3,-0.5 -4,-0.6 -2,-0.2 0.874 119.9 46.3 -74.6 -46.7 78.5 3.3 66.3 280 281 A I H 3<5S+ 0 0 13 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.925 108.4 56.6 -63.7 -46.8 75.8 1.6 68.3 281 282 A M T 3<5S- 0 0 105 -4,-4.3 -1,-0.2 -5,-0.2 -2,-0.2 0.663 136.7 -84.7 -61.7 -13.1 77.9 -1.5 68.7 282 283 A G T < 5S+ 0 0 48 -3,-0.5 -3,-0.2 -5,-0.3 -4,-0.1 0.001 79.9 137.3 140.5 -39.6 80.5 0.8 70.2 283 284 A D < - 0 0 66 -5,-2.0 4,-0.3 -6,-0.2 -1,-0.3 -0.171 23.4-177.9 -49.6 119.8 82.7 2.6 67.7 284 285 A S S > S+ 0 0 90 2,-0.1 3,-2.2 1,-0.1 4,-0.5 0.972 73.5 60.3 -81.3 -68.1 83.1 6.2 68.7 285 286 A S T 3> S+ 0 0 56 1,-0.3 4,-2.2 2,-0.2 3,-0.5 0.719 90.9 74.4 -24.9 -52.7 85.3 7.7 65.9 286 287 A V H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.767 92.3 51.3 -37.2 -46.8 82.6 6.7 63.3 287 288 A Q H <> S+ 0 0 40 -3,-2.2 4,-2.3 -4,-0.3 3,-0.3 0.975 111.9 45.8 -57.7 -54.7 80.2 9.5 64.3 288 289 A D H > S+ 0 0 93 -4,-0.5 4,-1.7 -3,-0.5 -1,-0.2 0.853 112.9 53.5 -57.4 -34.6 82.9 12.2 64.0 289 290 A Q H X S+ 0 0 85 -4,-2.2 4,-3.3 2,-0.2 -1,-0.3 0.872 103.1 54.9 -69.4 -43.0 83.9 10.5 60.6 290 291 A W H X S+ 0 0 1 -4,-2.6 4,-3.3 -3,-0.3 -2,-0.2 0.940 105.2 54.9 -58.1 -46.0 80.4 10.8 59.3 291 292 A K H <>S+ 0 0 108 -4,-2.3 5,-1.0 2,-0.2 -2,-0.2 0.925 111.9 42.4 -53.8 -46.0 80.5 14.4 60.0 292 293 A E H ><5S+ 0 0 142 -4,-1.7 3,-2.2 1,-0.2 -2,-0.2 0.971 116.2 47.9 -61.8 -55.7 83.7 14.8 57.9 293 294 A L H 3<5S+ 0 0 97 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.822 103.5 62.1 -52.6 -38.5 82.3 12.5 55.2 294 295 A S T 3<5S- 0 0 4 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.498 96.0-144.5 -68.2 -6.1 79.1 14.4 55.1 295 296 A H T < 5 - 0 0 137 -3,-2.2 2,-0.9 1,-0.2 -3,-0.1 0.855 22.3-176.3 40.4 50.1 81.1 17.5 54.0 296 297 A E < 0 0 22 -5,-1.0 -146,-0.3 -146,-0.1 -1,-0.2 0.196 360.0 360.0 -68.7 33.4 78.7 19.7 56.1 297 298 A D 0 0 181 -2,-0.9 -1,-0.1 -148,-0.2 -148,-0.0 0.069 360.0 360.0-155.8 360.0 80.6 22.7 54.8 298 !* 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 0.0 299 401 B D > 0 0 199 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -93.5 47.7 12.9 34.7 300 402 B A T 3 + 0 0 105 1,-0.3 2,-0.4 -255,-0.0 0, 0.0 0.431 360.0 83.2 5.2 -66.5 49.7 15.3 37.5 301 403 B D T 3 S+ 0 0 67 -256,-0.1 -255,-1.9 -255,-0.1 -254,-0.5 0.423 74.5 91.9 -25.1 -38.4 47.9 13.9 40.6 302 404 B E < + 0 0 99 -3,-0.7 -257,-0.0 -2,-0.4 -258,-0.0 -0.798 34.5 168.3 -90.7 146.3 50.2 10.7 41.1 303 405 B X 0 0 19 -2,-0.4 -1,-0.1 -87,-0.0 -87,-0.1 0.719 360.0 360.0-113.9 -38.7 53.4 9.9 43.0 304 406 B L 0 0 94 0, 0.0 -256,-0.0 0, 0.0 -257,-0.0 -0.383 360.0 360.0 -65.7 360.0 53.7 6.1 42.8