==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-SEP-09 3JVI . COMPND 2 MOLECULE: PROTEIN TYROSINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 156 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 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 PARALLEL BRIDGES PER LADDER . 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 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 0 A S 0 0 99 0, 0.0 2,-0.5 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 146.1 -17.9 19.2 -18.7 2 1 A M E -a 35 0A 60 32,-3.0 34,-2.4 79,-0.0 2,-0.5 -0.645 360.0-152.6 -81.8 124.0 -15.0 16.7 -18.5 3 2 A K E -a 36 0A 72 -2,-0.5 79,-2.5 32,-0.2 80,-1.6 -0.873 10.0-169.1-108.9 122.4 -12.1 18.0 -16.4 4 3 A L E -ab 37 83A 0 32,-2.8 34,-1.8 -2,-0.5 2,-0.5 -0.916 3.4-163.6-115.1 126.8 -8.5 16.9 -17.1 5 4 A L E -ab 38 84A 0 78,-2.1 80,-3.1 -2,-0.5 2,-0.5 -0.944 4.5-157.4-113.2 129.9 -5.6 17.5 -14.9 6 5 A F E -ab 39 85A 0 32,-2.3 34,-1.8 -2,-0.5 2,-0.4 -0.887 19.2-167.2-108.3 128.4 -1.9 17.1 -16.1 7 6 A V E +ab 40 86A 0 78,-3.4 80,-2.3 -2,-0.5 81,-0.3 -0.924 20.8 145.7-128.0 136.0 0.6 16.5 -13.3 8 7 A C E -a 41 0A 4 32,-1.4 34,-2.7 -2,-0.4 35,-0.2 -0.653 57.8 -81.2-137.4-156.9 4.3 16.5 -12.9 9 8 A L S S+ 0 0 95 32,-0.3 34,-2.8 -2,-0.2 -1,-0.1 0.983 116.5 10.2 -76.6 -63.4 6.8 17.5 -10.1 10 9 A G S S- 0 0 10 31,-0.2 31,-0.2 32,-0.2 36,-0.2 0.622 84.3-132.4 -94.4 -14.3 7.1 21.3 -10.3 11 10 A N S S+ 0 0 0 29,-0.3 30,-0.1 59,-0.1 60,-0.1 0.902 81.0 99.2 54.9 47.2 4.3 22.4 -12.8 12 11 A I S S+ 0 0 43 39,-0.1 40,-3.3 58,-0.1 43,-0.1 0.551 88.7 8.2-128.7 -26.0 6.7 24.6 -14.8 13 12 A C S > S+ 0 0 12 38,-0.2 4,-1.6 3,-0.1 5,-0.1 0.662 126.4 23.9-125.0 -77.5 7.8 22.6 -17.8 14 13 A R H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.943 122.4 48.6 -64.7 -50.9 6.3 19.2 -18.9 15 14 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 111.5 48.3 -62.3 -39.4 2.8 19.6 -17.2 16 15 A P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.890 112.7 50.4 -65.6 -37.1 2.1 23.1 -18.5 17 16 A A H X S+ 0 0 1 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.905 108.8 51.5 -61.8 -43.1 3.1 21.9 -22.0 18 17 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.906 109.5 49.2 -62.0 -43.8 0.7 18.9 -21.6 19 18 A E H X S+ 0 0 25 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.916 113.7 47.5 -58.1 -46.7 -2.1 21.2 -20.6 20 19 A A H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 45,-0.3 0.873 113.4 46.3 -63.7 -45.0 -1.4 23.4 -23.7 21 20 A V H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.955 113.7 48.7 -63.2 -47.5 -1.1 20.5 -26.1 22 21 A M H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.909 109.0 53.7 -60.1 -41.4 -4.3 18.9 -24.9 23 22 A K H X S+ 0 0 99 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.934 111.7 44.3 -58.6 -47.7 -6.2 22.2 -25.1 24 23 A K H X S+ 0 0 57 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.875 112.0 52.4 -65.5 -39.8 -5.2 22.7 -28.7 25 24 A V H X S+ 0 0 3 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.939 110.0 48.3 -62.6 -50.3 -6.0 19.1 -29.6 26 25 A I H <>S+ 0 0 2 -4,-2.7 5,-2.5 -5,-0.2 3,-0.4 0.913 112.2 51.4 -51.6 -45.7 -9.4 19.4 -28.1 27 26 A Q H ><5S+ 0 0 95 -4,-2.1 3,-1.6 -5,-0.3 -2,-0.2 0.903 105.3 53.1 -58.6 -51.2 -9.8 22.6 -30.0 28 27 A N H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.716 109.6 50.7 -53.2 -32.0 -8.8 21.0 -33.3 29 28 A H T 3<5S- 0 0 61 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.318 113.6-121.5 -90.3 5.6 -11.5 18.4 -32.7 30 29 A H T < 5S+ 0 0 174 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.907 78.9 121.5 53.0 44.7 -14.0 21.2 -32.0 31 30 A L >>< + 0 0 35 -5,-2.5 3,-1.3 -6,-0.1 4,-0.8 0.137 23.4 116.4-119.5 16.8 -14.6 19.8 -28.5 32 31 A T G >4 S+ 0 0 80 -6,-0.3 3,-0.6 1,-0.3 -5,-0.1 0.823 71.4 60.1 -60.7 -34.0 -13.7 22.8 -26.3 33 32 A E G 34 S+ 0 0 197 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.800 109.7 44.1 -62.4 -29.6 -17.2 23.2 -24.9 34 33 A K G <4 S+ 0 0 39 -3,-1.3 -32,-3.0 -33,-0.1 2,-0.4 0.578 110.8 55.1 -91.8 -14.3 -17.0 19.6 -23.4 35 34 A Y E << -a 2 0A 16 -4,-0.8 2,-0.4 -3,-0.6 -32,-0.2 -0.968 50.4-173.5-132.8 139.5 -13.5 19.7 -22.0 36 35 A I E -a 3 0A 97 -34,-2.4 -32,-2.8 -2,-0.4 2,-0.3 -0.995 14.1-159.5-129.2 137.6 -11.5 21.8 -19.6 37 36 A C E +a 4 0A 21 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.859 15.6 163.0-119.3 148.2 -7.7 21.3 -18.9 38 37 A D E -a 5 0A 51 -34,-1.8 -32,-2.3 -2,-0.3 2,-0.3 -0.916 18.8-146.3-151.0 168.3 -5.5 22.3 -16.0 39 38 A S E +a 6 0A 0 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.976 17.3 166.0-142.4 158.2 -2.1 21.4 -14.6 40 39 A A E -a 7 0A 0 -34,-1.8 -32,-1.4 -2,-0.3 2,-0.3 -0.949 25.3-119.7-160.2 167.0 -0.5 21.2 -11.2 41 40 A G E -ac 8 72A 0 30,-2.2 32,-2.8 -2,-0.3 -32,-0.3 -0.916 13.3-136.1-121.3 148.8 2.6 19.8 -9.5 42 41 A T S S+ 0 0 11 -34,-2.7 2,-0.5 -2,-0.3 -33,-0.2 0.686 95.9 65.7 -69.2 -19.2 3.3 17.3 -6.7 43 42 A C - 0 0 52 -34,-2.8 3,-0.4 -35,-0.2 -2,-0.1 -0.923 67.3-158.1-109.7 132.1 5.8 19.7 -5.3 44 43 A S > + 0 0 79 -2,-0.5 3,-1.6 1,-0.2 -1,-0.1 0.435 68.2 101.7 -81.2 -2.7 4.8 23.1 -3.9 45 44 A Y T 3 S+ 0 0 76 1,-0.3 -1,-0.2 0, 0.0 -35,-0.1 0.854 85.4 36.6 -53.4 -46.7 8.3 24.6 -4.4 46 45 A H T > S+ 0 0 63 -3,-0.4 3,-1.7 -36,-0.2 -1,-0.3 0.310 80.2 153.8 -91.1 9.6 7.6 26.6 -7.5 47 46 A E T < + 0 0 53 -3,-1.6 24,-0.2 1,-0.2 23,-0.1 -0.075 64.1 24.3 -55.2 139.2 4.1 27.7 -6.7 48 47 A G T 3 S+ 0 0 54 22,-2.6 -1,-0.2 1,-0.2 23,-0.1 -0.007 90.2 132.0 99.8 -22.2 3.1 30.9 -8.5 49 48 A Q < - 0 0 90 -3,-1.7 21,-2.8 20,-0.1 -1,-0.2 -0.235 58.1-116.5 -72.6 145.9 5.5 30.8 -11.4 50 49 A Q B -E 69 0B 124 19,-0.2 19,-0.2 1,-0.1 3,-0.1 -0.405 50.5 -89.3 -62.2 154.7 5.1 31.3 -15.1 51 50 A A - 0 0 2 17,-0.9 -38,-0.2 15,-0.2 -1,-0.1 -0.245 65.7 -65.0 -65.8 157.0 5.9 28.2 -17.2 52 51 A D > - 0 0 38 -40,-3.3 4,-2.5 1,-0.1 5,-0.2 -0.176 45.2-133.5 -47.0 127.4 9.5 27.7 -18.4 53 52 A S H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.831 104.5 48.5 -55.5 -38.7 10.4 30.5 -20.9 54 53 A R H > S+ 0 0 95 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.922 110.6 50.8 -72.5 -42.1 12.0 28.2 -23.4 55 54 A M H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.921 108.9 52.1 -58.6 -42.7 9.0 25.9 -23.3 56 55 A R H X S+ 0 0 71 -4,-2.5 4,-2.3 2,-0.2 10,-0.3 0.904 112.6 45.2 -62.2 -34.9 6.7 28.8 -23.9 57 56 A K H X S+ 0 0 139 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.964 115.7 44.3 -74.1 -49.4 8.7 29.9 -26.9 58 57 A V H X S+ 0 0 4 -4,-2.9 4,-0.9 2,-0.2 -2,-0.2 0.930 115.4 49.4 -57.4 -46.4 9.0 26.4 -28.4 59 58 A G H ><>S+ 0 0 0 -4,-2.9 5,-2.6 -5,-0.3 3,-1.2 0.941 109.1 52.4 -58.1 -49.9 5.3 25.7 -27.7 60 59 A K H ><5S+ 0 0 164 -4,-2.3 3,-1.8 -5,-0.3 -1,-0.2 0.880 103.5 57.5 -54.9 -42.6 4.2 29.0 -29.3 61 60 A S H 3<5S+ 0 0 86 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.746 110.1 45.1 -61.8 -26.3 6.2 28.2 -32.4 62 61 A R T <<5S- 0 0 66 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.163 128.7 -91.5-107.9 17.1 4.2 25.0 -32.9 63 62 A G T < 5S+ 0 0 37 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.610 85.0 125.8 91.4 14.7 0.8 26.5 -32.1 64 63 A Y < - 0 0 24 -5,-2.6 2,-0.9 -6,-0.2 -1,-0.2 -0.906 49.8-148.7-114.9 132.6 0.6 26.0 -28.4 65 64 A Q - 0 0 130 -2,-0.4 2,-1.5 -45,-0.3 3,-0.1 -0.844 11.5-171.0 -99.6 99.8 -0.1 28.6 -25.7 66 65 A V + 0 0 7 -2,-0.9 -15,-0.2 -10,-0.3 -49,-0.1 -0.682 31.5 142.4 -91.4 82.6 1.7 27.5 -22.6 67 66 A D + 0 0 79 -2,-1.5 -1,-0.2 -51,-0.2 -50,-0.1 0.257 20.6 140.4-112.9 11.3 0.2 30.1 -20.3 68 67 A S - 0 0 8 -52,-0.2 -17,-0.9 -3,-0.1 2,-0.5 -0.205 43.5-144.3 -53.8 140.7 -0.1 28.0 -17.1 69 68 A I B -E 50 0B 103 -19,-0.2 -19,-0.2 -30,-0.1 -30,-0.2 -0.971 33.2-106.6-107.3 127.5 0.7 29.5 -13.7 70 69 A S + 0 0 5 -21,-2.8 -22,-2.6 -2,-0.5 -59,-0.1 -0.176 49.0 159.9 -59.5 135.7 2.3 26.9 -11.4 71 70 A R - 0 0 63 -24,-0.2 -30,-2.2 -23,-0.1 2,-0.2 -0.982 36.0-108.5-149.9 155.5 0.2 25.5 -8.5 72 71 A P B -c 41 0A 32 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.601 34.3-105.2 -82.9 152.9 0.4 22.4 -6.3 73 72 A V - 0 0 13 -32,-2.8 2,-0.3 -2,-0.2 -29,-0.0 -0.595 44.3-169.9 -66.6 131.2 -1.9 19.4 -6.5 74 73 A V >> - 0 0 70 -2,-0.3 3,-1.4 -3,-0.0 4,-0.5 -0.757 36.0-100.1-121.6 169.0 -4.2 19.6 -3.4 75 74 A S H >> S+ 0 0 96 1,-0.3 3,-1.2 -2,-0.3 4,-0.7 0.831 117.8 61.6 -63.4 -31.0 -6.7 17.1 -2.1 76 75 A S H 3> S+ 0 0 58 1,-0.3 4,-3.0 2,-0.2 3,-0.3 0.739 90.3 71.0 -72.2 -18.3 -9.7 18.6 -3.7 77 76 A D H <> S+ 0 0 7 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.865 92.5 57.1 -59.3 -36.1 -8.2 18.0 -7.1 78 77 A F H << S+ 0 0 5 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.817 114.7 37.4 -70.4 -30.2 -8.8 14.3 -6.7 79 78 A K H < S+ 0 0 135 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.901 119.4 46.7 -78.8 -48.0 -12.5 14.9 -6.2 80 79 A N H < S+ 0 0 77 -4,-3.0 -2,-0.2 2,-0.0 -3,-0.2 0.853 99.9 69.9 -70.7 -41.0 -12.9 17.8 -8.7 81 80 A F < - 0 0 20 -4,-2.3 -77,-0.2 -5,-0.2 3,-0.1 -0.490 63.9-150.8 -80.8 155.7 -11.1 16.4 -11.7 82 81 A D S S+ 0 0 52 -79,-2.5 2,-0.3 1,-0.3 -78,-0.2 0.858 83.3 12.1 -90.3 -38.1 -12.4 13.5 -13.8 83 82 A Y E -b 4 0A 26 -80,-1.6 -78,-2.1 2,-0.0 2,-0.4 -0.991 63.2-159.5-141.5 147.0 -9.0 12.2 -14.9 84 83 A I E -bd 5 107A 1 22,-2.8 24,-2.7 -2,-0.3 2,-0.5 -0.990 10.1-156.0-131.2 130.9 -5.5 13.0 -13.8 85 84 A F E -bd 6 108A 0 -80,-3.1 -78,-3.4 -2,-0.4 2,-0.3 -0.944 4.8-148.4-122.3 119.9 -2.4 12.3 -15.9 86 85 A A E -bd 7 109A 1 22,-2.8 24,-3.0 -2,-0.5 25,-0.4 -0.651 5.5-151.3 -86.4 136.6 1.1 11.8 -14.6 87 86 A M S S+ 0 0 2 -80,-2.3 35,-2.7 -2,-0.3 2,-0.3 0.797 79.4 11.7 -77.2 -31.3 4.1 12.9 -16.7 88 87 A D S > S- 0 0 30 -81,-0.3 4,-2.0 33,-0.2 33,-0.1 -0.884 81.0-101.1-142.0 178.7 6.4 10.3 -15.3 89 88 A N H > S+ 0 0 43 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.862 116.5 54.5 -73.0 -35.1 6.4 7.1 -13.1 90 89 A D H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.954 110.5 47.2 -61.7 -45.3 7.5 8.7 -10.0 91 90 A N H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.879 108.0 58.7 -61.0 -40.2 4.6 11.3 -10.2 92 91 A Y H X S+ 0 0 52 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.949 111.9 37.4 -54.0 -50.4 2.2 8.4 -10.9 93 92 A Y H X S+ 0 0 129 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.864 113.8 56.3 -75.2 -34.3 3.1 6.6 -7.7 94 93 A E H X S+ 0 0 64 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.924 108.8 48.6 -59.1 -44.0 3.3 9.9 -5.7 95 94 A L H X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 3,-0.4 0.917 110.2 49.8 -62.9 -44.5 -0.2 10.7 -6.8 96 95 A L H < S+ 0 0 36 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.886 105.8 59.2 -61.9 -37.3 -1.6 7.2 -5.8 97 96 A D H < S+ 0 0 132 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.865 116.1 31.9 -57.5 -37.6 0.1 7.6 -2.4 98 97 A R H < S+ 0 0 111 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.583 97.2 102.3 -96.6 -16.9 -1.9 10.8 -1.7 99 98 A C S < S- 0 0 8 -4,-1.5 5,-0.1 -5,-0.2 -24,-0.0 -0.558 76.5-116.2 -79.5 130.2 -5.1 9.9 -3.5 100 99 A P > - 0 0 54 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.346 28.7-116.8 -55.0 140.3 -8.2 8.7 -1.6 101 100 A E G > S+ 0 0 145 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.852 112.1 66.7 -42.1 -45.3 -9.0 5.2 -2.6 102 101 A Q G 3 S+ 0 0 128 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 0.567 109.3 33.9 -50.7 -25.4 -12.3 6.4 -3.9 103 102 A Y G X S+ 0 0 37 -3,-2.5 3,-2.0 1,-0.1 -1,-0.3 0.306 82.4 106.4-118.2 3.2 -10.7 8.4 -6.6 104 103 A K G X + 0 0 66 -3,-1.5 3,-1.6 -4,-0.5 -2,-0.1 0.775 69.2 70.0 -62.1 -29.2 -7.7 6.2 -7.6 105 104 A Q G 3 S+ 0 0 110 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.665 88.6 66.9 -57.9 -19.6 -9.3 5.1 -10.8 106 105 A K G < S+ 0 0 27 -3,-2.0 -22,-2.8 -28,-0.1 2,-0.5 0.614 79.7 94.7 -79.5 -14.4 -8.9 8.6 -12.1 107 106 A I E < +d 84 0A 8 -3,-1.6 2,-0.3 -4,-0.2 -22,-0.2 -0.726 48.1 162.5 -95.6 124.0 -5.1 8.5 -12.2 108 107 A F E -d 85 0A 23 -24,-2.7 -22,-2.8 -2,-0.5 2,-0.5 -0.870 40.5-109.7-129.9 159.0 -3.3 7.5 -15.5 109 108 A K E > -d 86 0A 42 -2,-0.3 3,-1.2 -24,-0.2 4,-0.2 -0.815 23.2-136.7 -85.7 135.4 0.1 7.7 -17.0 110 109 A M G > S+ 0 0 0 -24,-3.0 3,-1.8 -2,-0.5 -1,-0.1 0.909 103.0 58.4 -53.3 -44.1 0.3 10.2 -19.8 111 110 A V G > S+ 0 0 16 -25,-0.4 3,-1.5 1,-0.3 -1,-0.2 0.635 83.8 78.7 -66.4 -16.0 2.4 7.8 -21.9 112 111 A D G < S+ 0 0 72 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.675 92.6 54.6 -68.0 -9.9 -0.2 5.0 -21.7 113 112 A F G < S+ 0 0 0 -3,-1.8 -1,-0.3 -4,-0.2 32,-0.2 0.446 81.1 112.5-100.5 -1.4 -1.9 7.0 -24.5 114 113 A C < + 0 0 23 -3,-1.5 28,-0.1 1,-0.2 25,-0.0 -0.473 37.4 176.7 -65.8 135.5 1.1 7.1 -26.9 115 114 A T S S+ 0 0 96 -2,-0.2 -1,-0.2 3,-0.0 27,-0.0 0.707 75.7 19.8-110.9 -34.2 0.6 5.0 -30.0 116 115 A T S S+ 0 0 117 22,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.860 104.7 77.9-104.8 -37.1 3.6 5.6 -32.0 117 116 A I - 0 0 40 21,-0.1 2,-1.0 20,-0.1 -3,-0.0 -0.550 66.9-147.6 -75.7 131.1 6.3 6.8 -29.7 118 117 A K + 0 0 104 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.630 48.8 129.3 -98.6 71.8 7.9 4.1 -27.6 119 118 A T - 0 0 32 -2,-1.0 -5,-0.1 -8,-0.2 3,-0.1 -0.919 48.2-153.7-120.9 152.0 8.8 6.0 -24.4 120 119 A T S S+ 0 0 103 -2,-0.3 2,-0.3 1,-0.2 -9,-0.2 0.636 79.6 14.2 -96.8 -11.8 7.9 5.0 -20.8 121 120 A E S S- 0 0 76 -33,-0.1 -33,-0.2 -10,-0.1 -1,-0.2 -0.964 84.2 -96.1-154.5 157.9 7.9 8.5 -19.4 122 121 A V - 0 0 2 -35,-2.7 -108,-0.1 -2,-0.3 13,-0.1 -0.767 52.7-127.5 -80.8 119.0 7.8 12.2 -20.5 123 122 A P - 0 0 48 0, 0.0 -1,-0.0 0, 0.0 12,-0.0 -0.314 11.1-114.0 -74.4 153.4 11.5 13.2 -20.5 124 123 A D - 0 0 95 1,-0.1 2,-3.1 -111,-0.0 8,-0.1 -0.766 34.2-119.8 -78.6 121.0 12.8 16.2 -18.7 125 124 A P 0 0 3 0, 0.0 7,-0.2 0, 0.0 6,-0.2 0.067 360.0 360.0 -60.4 35.1 14.0 18.5 -21.6 126 125 A Y 0 0 169 -2,-3.1 5,-0.0 5,-0.1 6,-0.0 0.142 360.0 360.0-139.5 360.0 17.6 18.4 -20.1 127 ! 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 0.0 128 128 A G >> 0 0 73 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0-155.1 19.3 20.7 -25.1 129 129 A E H >> + 0 0 132 1,-0.3 4,-0.8 2,-0.2 3,-0.8 0.852 360.0 57.2 -53.0 -41.7 17.1 22.7 -27.4 130 130 A K H 3> S+ 0 0 162 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.825 91.8 72.3 -58.6 -33.0 15.8 19.5 -29.1 131 131 A G H <> S+ 0 0 20 -3,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.866 93.9 53.7 -54.7 -36.5 14.5 18.2 -25.7 132 132 A F H