==== 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 09-SEP-09 3JS5 . COMPND 2 MOLECULE: PROTEIN TYROSINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 69.2 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 . 5 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 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 0 103 0, 0.0 2,-0.4 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 -77.8 -11.8 -2.0 4.3 2 1 A M E -a 35 0A 39 32,-2.5 34,-2.4 79,-0.1 2,-0.5 -0.679 360.0-156.3 -80.6 127.1 -12.8 -2.2 0.6 3 2 A K E -a 36 0A 75 -2,-0.4 79,-2.2 32,-0.2 80,-1.6 -0.920 8.2-167.8-117.9 123.8 -12.3 1.2 -1.1 4 3 A L E -ab 37 83A 0 32,-3.2 34,-2.2 -2,-0.5 2,-0.5 -0.921 1.5-164.9-116.9 127.2 -14.1 2.3 -4.2 5 4 A L E -ab 38 84A 0 78,-2.5 80,-3.1 -2,-0.5 2,-0.5 -0.952 3.4-160.2-116.5 128.6 -13.2 5.4 -6.3 6 5 A F E -ab 39 85A 0 32,-2.2 34,-2.0 -2,-0.5 2,-0.5 -0.915 15.2-165.0-109.5 129.2 -15.6 6.9 -8.9 7 6 A V E +ab 40 86A 0 78,-3.3 80,-2.3 -2,-0.5 81,-0.3 -0.959 20.0 152.5-127.0 126.6 -14.0 9.1 -11.5 8 7 A C E -a 41 0A 2 32,-1.6 34,-2.1 -2,-0.5 35,-0.2 -0.449 54.1 -90.0-121.4-155.5 -15.3 11.6 -14.0 9 8 A L S S+ 0 0 82 32,-0.3 34,-2.2 -2,-0.2 32,-0.1 0.936 115.6 13.7 -84.7 -55.8 -13.7 14.6 -15.6 10 9 A G S S- 0 0 13 31,-0.2 31,-0.2 32,-0.1 36,-0.1 0.583 84.8-135.0 -99.4 -13.2 -14.6 17.5 -13.3 11 10 A N S S+ 0 0 1 29,-0.3 30,-0.1 59,-0.1 60,-0.1 0.833 84.3 96.4 53.9 34.2 -15.8 15.6 -10.2 12 11 A I S S+ 0 0 6 39,-0.1 40,-2.8 58,-0.1 43,-0.2 0.592 91.9 12.3-120.0 -23.8 -18.7 18.1 -10.0 13 12 A C S > S+ 0 0 5 38,-0.2 4,-1.1 42,-0.1 5,-0.1 0.701 126.4 25.7-112.7 -70.9 -21.5 16.2 -11.8 14 13 A R H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.941 118.9 43.2 -73.5 -54.2 -21.2 12.5 -12.5 15 14 A S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.836 110.4 55.6 -71.2 -31.4 -18.7 11.0 -10.0 16 15 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 51,-0.3 0.879 111.4 46.5 -60.6 -36.0 -20.2 12.8 -7.0 17 16 A A H X S+ 0 0 0 -4,-1.1 4,-3.1 -3,-0.3 5,-0.2 0.887 110.0 53.2 -71.0 -38.7 -23.5 11.3 -8.0 18 17 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.910 109.9 48.7 -59.0 -45.0 -21.8 7.9 -8.4 19 18 A E H X S+ 0 0 16 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.931 113.9 45.6 -59.8 -46.9 -20.4 8.2 -4.9 20 19 A A H X S+ 0 0 11 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.926 115.2 46.0 -64.8 -45.7 -23.8 9.2 -3.4 21 20 A V H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.939 114.1 48.3 -63.8 -46.5 -25.7 6.4 -5.3 22 21 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.899 108.9 53.4 -61.8 -43.3 -23.1 3.8 -4.4 23 22 A K H X S+ 0 0 101 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.908 111.0 47.8 -54.6 -44.4 -23.1 4.8 -0.7 24 23 A K H X S+ 0 0 75 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.908 110.6 49.9 -64.2 -45.3 -26.9 4.4 -0.7 25 24 A V H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.941 111.9 49.1 -59.1 -46.9 -26.7 0.9 -2.4 26 25 A I H <>S+ 0 0 4 -4,-2.8 5,-2.8 2,-0.2 6,-0.3 0.912 112.3 47.5 -58.8 -45.8 -24.1 -0.1 0.2 27 26 A Q H ><5S+ 0 0 108 -4,-2.4 3,-1.7 3,-0.2 -2,-0.2 0.921 109.5 53.8 -60.2 -45.1 -26.3 1.1 3.1 28 27 A N H 3<5S+ 0 0 84 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.869 111.2 45.7 -56.6 -38.4 -29.3 -0.6 1.5 29 28 A H T 3<5S- 0 0 68 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.296 115.3-118.4 -88.2 8.9 -27.3 -3.9 1.5 30 29 A H T < 5S+ 0 0 167 -3,-1.7 -3,-0.2 -5,-0.1 3,-0.2 0.850 79.4 121.8 55.5 42.9 -26.1 -3.3 5.1 31 30 A L >>< + 0 0 29 -5,-2.8 4,-1.5 1,-0.1 3,-1.1 0.147 22.0 118.9-119.5 18.3 -22.5 -3.1 4.1 32 31 A T T 34 S+ 0 0 87 -6,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.832 75.6 54.1 -57.1 -37.1 -21.5 0.3 5.3 33 32 A E T 34 S+ 0 0 99 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.794 111.4 46.8 -65.3 -28.5 -18.8 -1.0 7.6 34 33 A K T <4 S+ 0 0 85 -3,-1.1 -32,-2.5 -33,-0.1 2,-0.4 0.741 108.9 52.6 -88.5 -28.4 -17.2 -2.9 4.7 35 34 A Y E < -a 2 0A 11 -4,-1.5 2,-0.4 -34,-0.2 -32,-0.2 -0.888 51.9-169.3-119.6 144.0 -17.0 -0.3 2.0 36 35 A I E -a 3 0A 92 -34,-2.4 -32,-3.2 -2,-0.4 2,-0.4 -0.998 14.9-160.4-123.9 132.8 -15.7 3.3 1.6 37 36 A C E +a 4 0A 13 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.878 15.8 163.3-112.8 147.3 -16.6 5.3 -1.4 38 37 A D E -a 5 0A 49 -34,-2.2 -32,-2.2 -2,-0.4 2,-0.3 -0.920 18.5-148.0-146.3 170.1 -14.9 8.4 -2.8 39 38 A S E +a 6 0A 2 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.967 16.3 168.5-139.9 160.5 -14.8 10.3 -6.1 40 39 A A E -a 7 0A 0 -34,-2.0 -32,-1.6 -2,-0.3 2,-0.3 -0.962 25.4-120.6-160.1 168.4 -12.3 12.4 -8.0 41 40 A G E -ac 8 72A 0 30,-2.8 32,-2.7 -2,-0.3 -32,-0.3 -0.880 15.4-133.7-119.8 151.0 -11.8 13.9 -11.5 42 41 A T S S+ 0 0 17 -34,-2.1 2,-0.3 -2,-0.3 -33,-0.2 0.765 97.4 57.4 -67.2 -25.1 -9.1 13.4 -14.1 43 42 A C - 0 0 51 -34,-2.2 3,-0.3 -35,-0.2 -2,-0.1 -0.843 66.5-156.8-111.7 144.2 -8.9 17.2 -14.3 44 43 A S > + 0 0 67 -2,-0.3 3,-1.7 1,-0.2 -34,-0.1 0.310 65.4 105.9-100.0 7.8 -8.2 19.7 -11.5 45 44 A Y T 3 S+ 0 0 194 1,-0.3 -1,-0.2 0, 0.0 -35,-0.1 0.885 88.6 37.9 -57.8 -40.1 -9.9 22.7 -13.1 46 45 A H T > S+ 0 0 42 -3,-0.3 3,-2.3 -36,-0.1 24,-0.3 0.293 83.6 148.1 -93.2 7.9 -12.8 22.5 -10.7 47 46 A E T < + 0 0 117 -3,-1.7 24,-0.2 1,-0.3 3,-0.1 -0.152 69.1 21.5 -49.0 131.3 -10.8 21.5 -7.6 48 47 A G T 3 S+ 0 0 50 22,-2.6 2,-0.3 1,-0.3 -1,-0.3 0.274 95.8 130.6 95.0 -9.2 -12.4 22.8 -4.4 49 48 A Q < - 0 0 81 -3,-2.3 21,-3.2 21,-0.1 -1,-0.3 -0.591 58.9-119.4 -86.9 135.7 -15.8 23.3 -6.0 50 49 A Q B -E 69 0B 99 -2,-0.3 19,-0.2 19,-0.2 3,-0.1 -0.312 49.0 -80.6 -57.2 150.8 -19.1 22.1 -4.5 51 50 A A - 0 0 1 17,-1.3 -38,-0.2 1,-0.1 -1,-0.1 -0.206 64.8 -79.2 -53.3 146.6 -21.1 19.5 -6.6 52 51 A D >> - 0 0 16 -40,-2.8 4,-2.4 1,-0.1 3,-0.6 -0.260 38.0-130.3 -51.7 128.7 -23.1 21.1 -9.4 53 52 A S H 3> S+ 0 0 71 1,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.805 106.9 55.2 -55.7 -33.7 -26.3 22.6 -8.0 54 53 A R H 3> S+ 0 0 67 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.884 108.8 47.0 -68.2 -38.1 -28.5 20.8 -10.6 55 54 A M H <> S+ 0 0 0 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.889 111.9 50.6 -71.7 -37.0 -27.0 17.5 -9.7 56 55 A R H X S+ 0 0 82 -4,-2.4 4,-2.6 2,-0.2 10,-0.3 0.944 114.4 45.1 -61.8 -44.8 -27.6 18.2 -6.0 57 56 A K H X S+ 0 0 125 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.949 118.3 40.7 -64.0 -53.8 -31.2 19.2 -6.8 58 57 A V H X S+ 0 0 1 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.911 114.3 55.6 -60.9 -41.5 -31.9 16.2 -9.1 59 58 A G H <>S+ 0 0 0 -4,-2.8 5,-3.0 -5,-0.3 3,-0.5 0.939 108.6 46.9 -54.6 -49.0 -30.0 14.0 -6.6 60 59 A K H ><5S+ 0 0 159 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.920 109.3 52.7 -62.2 -45.2 -32.2 15.1 -3.8 61 60 A S H 3<5S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.774 110.5 49.8 -63.2 -23.2 -35.4 14.5 -5.8 62 61 A R T 3<5S- 0 0 61 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.436 127.2 -99.1 -95.6 -1.0 -34.2 11.0 -6.5 63 62 A G T < 5S+ 0 0 53 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.669 82.8 119.2 95.7 19.9 -33.4 10.3 -2.9 64 63 A Y < - 0 0 28 -5,-3.0 2,-0.8 -6,-0.2 -1,-0.3 -0.877 58.9-136.2-120.1 150.6 -29.6 10.9 -2.8 65 64 A Q - 0 0 147 -2,-0.3 2,-0.9 -45,-0.2 -9,-0.1 -0.866 21.7-166.6-102.8 95.6 -27.4 13.3 -0.9 66 65 A V + 0 0 5 -2,-0.8 2,-0.4 -10,-0.3 -49,-0.1 -0.767 25.0 152.1 -87.6 108.7 -24.9 14.6 -3.5 67 66 A D + 0 0 103 -2,-0.9 2,-0.3 -51,-0.3 -2,-0.1 -0.869 11.5 137.7-145.0 99.3 -22.3 16.3 -1.4 68 67 A S - 0 0 11 -2,-0.4 -17,-1.3 -56,-0.1 2,-0.5 -0.974 43.0-142.6-140.4 156.6 -18.8 16.5 -2.7 69 68 A I B -E 50 0B 107 -2,-0.3 -19,-0.2 -19,-0.2 -22,-0.1 -0.997 44.0-109.5-116.6 118.8 -15.9 18.9 -3.0 70 69 A S + 0 0 2 -21,-3.2 -22,-2.6 -2,-0.5 -59,-0.1 -0.164 44.8 172.8 -51.6 133.7 -14.2 18.4 -6.4 71 70 A R - 0 0 56 -24,-0.2 -30,-2.8 -23,-0.1 2,-0.2 -0.992 27.6-117.8-141.6 150.6 -10.7 16.8 -6.2 72 71 A P B -c 41 0A 22 0, 0.0 2,-0.2 0, 0.0 -30,-0.2 -0.527 34.4-101.1 -83.6 154.2 -8.3 15.5 -8.8 73 72 A V - 0 0 13 -32,-2.7 2,-0.3 -2,-0.2 -33,-0.0 -0.540 42.0-160.9 -64.2 133.4 -7.1 12.0 -9.1 74 73 A V > - 0 0 71 -2,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.822 31.4-104.6-115.8 162.6 -3.6 11.7 -7.6 75 74 A S T > S+ 0 0 106 -2,-0.3 3,-1.2 1,-0.3 4,-0.5 0.826 116.7 61.1 -56.7 -34.8 -1.0 8.9 -8.2 76 75 A S T 3> S+ 0 0 53 1,-0.3 4,-3.2 2,-0.2 3,-0.5 0.665 86.4 75.6 -69.7 -16.5 -1.7 7.3 -4.8 77 76 A D H <> S+ 0 0 7 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.856 90.1 57.5 -59.2 -34.7 -5.3 6.6 -5.8 78 77 A F H <4 S+ 0 0 5 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.789 116.6 34.1 -68.0 -28.4 -4.1 3.8 -8.0 79 78 A K H 4 S+ 0 0 136 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.2 0.859 120.5 46.8 -90.1 -43.4 -2.5 2.1 -5.0 80 79 A N H < S+ 0 0 85 -4,-3.2 2,-0.3 2,-0.0 -3,-0.2 0.802 100.2 69.0 -80.2 -32.7 -4.9 3.1 -2.2 81 80 A F < - 0 0 17 -4,-2.0 -77,-0.2 -5,-0.2 3,-0.1 -0.635 65.9-150.3 -86.5 148.2 -8.2 2.2 -3.8 82 81 A D S S+ 0 0 55 -79,-2.2 2,-0.3 1,-0.3 -78,-0.2 0.834 83.4 14.5 -82.3 -40.0 -9.3 -1.4 -4.5 83 82 A Y E -b 4 0A 45 -80,-1.6 -78,-2.5 2,-0.0 2,-0.4 -0.991 64.8-160.0-139.5 145.5 -11.4 -0.6 -7.5 84 83 A I E -bd 5 107A 1 22,-2.6 24,-2.9 -2,-0.3 2,-0.5 -0.997 8.3-157.4-131.3 127.6 -11.7 2.5 -9.7 85 84 A F E -bd 6 108A 0 -80,-3.1 -78,-3.3 -2,-0.4 2,-0.3 -0.927 4.7-150.7-117.9 118.0 -14.8 3.2 -11.9 86 85 A A E -bd 7 109A 1 22,-3.1 24,-3.1 -2,-0.5 25,-0.4 -0.653 7.2-149.7 -88.1 136.9 -14.7 5.5 -14.9 87 86 A M S S+ 0 0 1 -80,-2.3 35,-3.1 -2,-0.3 2,-0.2 0.883 78.8 5.0 -74.5 -38.4 -17.8 7.4 -15.9 88 87 A D S > S- 0 0 15 -81,-0.3 4,-2.2 33,-0.2 33,-0.1 -0.826 82.9 -94.6-137.2 178.3 -17.0 7.5 -19.6 89 88 A N H > S+ 0 0 52 -2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.885 121.1 56.2 -62.9 -40.5 -14.4 6.2 -22.1 90 89 A D H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.942 110.2 44.9 -54.3 -50.7 -12.4 9.4 -21.9 91 90 A N H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 111.7 54.9 -59.1 -43.4 -12.0 9.0 -18.1 92 91 A Y H X S+ 0 0 49 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.922 111.5 40.7 -57.9 -52.0 -11.2 5.3 -18.5 93 92 A Y H X S+ 0 0 137 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.858 113.5 54.7 -69.3 -36.0 -8.3 5.8 -20.9 94 93 A E H X S+ 0 0 76 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.934 110.8 46.1 -58.2 -50.5 -7.0 8.8 -18.9 95 94 A L H >X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 3,-0.5 0.923 114.1 47.8 -55.6 -48.7 -6.9 6.7 -15.8 96 95 A L H 3< S+ 0 0 31 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.850 107.1 57.2 -64.6 -36.0 -5.2 3.8 -17.7 97 96 A D H 3< S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.811 116.1 36.2 -60.5 -32.7 -2.7 6.2 -19.2 98 97 A R H << S+ 0 0 96 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.544 97.8 99.3-100.3 -11.4 -1.7 7.2 -15.7 99 98 A C S < S- 0 0 8 -4,-1.2 5,-0.1 -5,-0.1 -24,-0.0 -0.657 75.4-119.6 -88.0 127.0 -2.0 3.9 -13.9 100 99 A P >> - 0 0 61 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.299 31.9-111.9 -54.5 146.4 1.0 1.7 -13.2 101 100 A E G >4 S+ 0 0 144 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.791 114.5 60.6 -53.6 -35.3 0.7 -1.7 -14.9 102 101 A Q G 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.616 111.4 38.5 -73.9 -14.6 0.3 -3.6 -11.6 103 102 A Y G X4 S+ 0 0 40 -3,-2.0 3,-2.2 1,-0.1 4,-0.3 0.417 84.9 99.1-112.2 -2.0 -2.8 -1.6 -10.7 104 103 A K G X< S+ 0 0 67 -4,-0.7 3,-1.5 -3,-0.6 -2,-0.1 0.791 73.7 66.2 -58.0 -29.1 -4.5 -1.5 -14.1 105 104 A Q G 3 S+ 0 0 120 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.641 90.0 66.9 -68.3 -15.0 -6.7 -4.4 -13.3 106 105 A K G < S+ 0 0 24 -3,-2.2 -22,-2.6 -28,-0.1 2,-0.4 0.669 84.0 91.5 -73.5 -20.8 -8.4 -2.2 -10.6 107 106 A I E < +d 84 0A 8 -3,-1.5 2,-0.3 -4,-0.3 -22,-0.2 -0.678 50.9 166.2 -92.9 128.9 -9.9 0.1 -13.3 108 107 A F E -d 85 0A 54 -24,-2.9 -22,-3.1 -2,-0.4 2,-0.5 -0.934 40.0-110.9-133.7 154.4 -13.4 -0.5 -14.8 109 108 A K E > -d 86 0A 44 -2,-0.3 3,-1.4 -24,-0.2 -22,-0.2 -0.768 27.4-136.7 -78.5 129.7 -15.9 1.3 -16.9 110 109 A M G > S+ 0 0 0 -24,-3.1 3,-1.7 -2,-0.5 -1,-0.1 0.897 103.1 58.0 -49.8 -44.4 -18.9 2.1 -14.7 111 110 A V G > S+ 0 0 14 -25,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.653 84.2 78.8 -69.2 -14.7 -21.3 1.1 -17.5 112 111 A D G < S+ 0 0 108 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.504 92.7 55.1 -72.5 0.4 -19.7 -2.4 -17.7 113 112 A F G < S+ 0 0 9 -3,-1.7 -1,-0.3 -4,-0.1 33,-0.2 0.372 81.1 114.6-107.9 -0.5 -21.9 -3.1 -14.6 114 113 A C < + 0 0 27 -3,-1.8 29,-0.1 1,-0.1 5,-0.1 -0.516 32.3 170.4 -67.6 134.9 -25.2 -2.0 -16.3 115 114 A T S S+ 0 0 98 -2,-0.2 -1,-0.1 3,-0.0 3,-0.1 0.431 77.6 25.2-120.1 -7.7 -27.6 -4.9 -16.7 116 115 A T S S+ 0 0 108 1,-0.3 2,-0.5 23,-0.1 -2,-0.1 0.704 106.6 65.5-123.6 -55.3 -30.7 -2.9 -17.8 117 116 A I S S- 0 0 35 21,-0.1 2,-0.8 22,-0.1 -1,-0.3 -0.646 71.5-143.5 -79.7 125.5 -29.8 0.4 -19.4 118 117 A K + 0 0 204 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.0 -0.825 46.1 135.2 -90.2 111.3 -27.9 -0.1 -22.7 119 118 A T - 0 0 36 -2,-0.8 -5,-0.1 -8,-0.2 3,-0.1 -0.983 53.4-144.8-155.6 148.8 -25.4 2.7 -22.8 120 119 A T S S+ 0 0 100 -2,-0.3 2,-0.3 1,-0.1 -9,-0.1 0.554 84.2 1.3 -92.4 -9.2 -21.7 3.1 -23.6 121 120 A E S S- 0 0 68 -33,-0.1 -33,-0.2 -10,-0.1 -1,-0.1 -0.980 75.4 -96.1-162.3 165.2 -21.0 5.7 -20.9 122 121 A V - 0 0 0 -35,-3.1 14,-0.1 -2,-0.3 -108,-0.1 -0.896 60.1-128.7 -88.7 105.0 -22.4 7.8 -18.1 123 122 A P - 0 0 37 0, 0.0 13,-0.1 0, 0.0 -35,-0.0 -0.295 14.1-109.7 -67.7 138.9 -23.1 10.9 -20.3 124 123 A D - 0 0 71 1,-0.2 3,-0.3 -111,-0.0 9,-0.1 -0.537 32.5-172.5 -62.2 116.9 -21.8 14.2 -19.2 125 124 A P > + 0 0 5 0, 0.0 3,-2.0 0, 0.0 8,-0.2 0.463 53.4 105.1 -90.2 -0.1 -24.9 16.2 -18.2 126 125 A Y T 3 S+ 0 0 77 1,-0.3 -72,-0.1 6,-0.1 7,-0.0 0.782 84.3 37.4 -58.3 -37.7 -23.2 19.6 -17.6 127 126 A Y T 3 S+ 0 0 208 -3,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.222 111.3 68.2-100.0 13.0 -24.4 21.3 -20.8 128 127 A G S < S- 0 0 42 -3,-2.0 2,-0.1 1,-0.2 0, 0.0 -0.391 84.0 -86.0-114.2-164.3 -27.9 19.9 -20.9 129 128 A G >> - 0 0 49 -2,-0.1 3,-1.1 1,-0.0 4,-0.9 -0.249 53.9 -77.5 -96.2-172.4 -31.1 20.1 -18.9 130 129 A E H >> S+ 0 0 87 1,-0.3 4,-2.1 2,-0.2 3,-0.6 0.807 123.2 67.0 -57.7 -34.1 -32.4 18.3 -15.9 131 130 A K H 3> S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.864 97.0 54.9 -55.3 -39.2 -33.3 15.2 -17.9 132 131 A G H <> S+ 0 0 28 -3,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.840 107.0 50.6 -63.0 -34.8 -29.6 14.6 -18.5 133 132 A F H S+ 0 0 64 -4,-2.4 5,-2.8 1,-0.2 6,-0.5 0.863 112.7 50.5 -57.1 -42.0 -20.3 -8.6 -8.1 151 150 A L H ><5S+ 0 0 13 -4,-2.5 3,-1.0 3,-0.2 -2,-0.2 0.937 113.2 44.5 -62.9 -47.4 -18.1 -7.2 -5.2 152 151 A E H 3<5S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.823 112.1 51.9 -72.1 -30.9 -19.9 -9.4 -2.6 153 152 A E T 3<5S- 0 0 110 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.547 112.3-123.8 -76.7 -7.3 -19.7 -12.5 -4.8 154 153 A G T < 5 + 0 0 59 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.723 63.0 145.4 71.4 24.4 -16.0 -11.8 -5.2 155 154 A K < 0 0 126 -5,-2.8 -4,-0.2 1,-0.3 -5,-0.1 0.572 360.0 360.0 -75.5 -9.4 -16.4 -11.7 -9.0 156 155 A L 0 0 64 -6,-0.5 -1,-0.3 -5,-0.1 -5,-0.1 0.283 360.0 360.0-103.1 360.0 -13.7 -9.0 -9.5