==== 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-MAR-02 1L7O . COMPND 2 MOLECULE: PHOSPHOSERINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR W.WANG,H.S.CHO,R.KIM,J.JANCARIK,H.YOKOTA,H.H.NGUYEN,I.V.GRIG . 408 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.5 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.9 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 2 1 2 0 3 1 4 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 0 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 PARALLEL BRIDGES PER LADDER . 5 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 4 A K 0 0 200 0, 0.0 2,-0.2 0, 0.0 146,-0.1 0.000 360.0 360.0 360.0 84.7 -0.3 68.5 14.3 2 5 A K - 0 0 103 144,-0.1 2,-0.3 143,-0.1 81,-0.2 -0.484 360.0-159.0 -74.2 143.8 0.9 70.8 17.1 3 6 A K E -a 83 0A 19 79,-2.0 81,-2.6 -2,-0.2 2,-0.4 -0.758 6.0-135.8-119.1 166.4 1.3 69.1 20.5 4 7 A L E -ab 84 152A 0 147,-2.3 149,-2.4 -2,-0.3 2,-0.4 -0.974 12.0-171.8-128.5 137.1 1.4 70.4 24.0 5 8 A I E -ab 85 153A 0 79,-2.2 81,-2.1 -2,-0.4 2,-0.5 -0.999 9.5-163.5-125.9 130.4 3.7 69.6 26.9 6 9 A L E -ab 86 154A 0 147,-3.4 149,-2.8 -2,-0.4 2,-0.3 -0.963 5.5-159.8-119.1 119.7 2.9 71.0 30.4 7 10 A F E -ab 87 155A 2 79,-2.8 81,-2.3 -2,-0.5 2,-0.3 -0.738 19.0-127.2 -98.9 142.3 5.5 71.1 33.2 8 11 A N E > -a 88 0A 6 147,-2.4 5,-1.3 -2,-0.3 81,-0.2 -0.660 24.5-148.8 -78.3 145.9 5.0 71.3 36.9 9 12 A F I >>> + 0 0 0 79,-1.8 5,-1.9 -2,-0.3 3,-1.2 0.977 68.8 72.5 -79.7 -69.8 7.2 74.3 38.1 10 13 A D I 345S- 0 0 12 1,-0.3 7,-0.2 2,-0.2 5,-0.1 -0.290 120.9 -9.9 -58.5 121.8 8.4 73.6 41.7 11 14 A S I 345S+ 0 0 23 5,-2.2 -1,-0.3 3,-0.3 6,-0.1 0.276 135.0 61.4 72.9 -9.4 11.0 70.8 41.9 12 15 A T I <45S+ 0 0 0 -3,-1.2 -3,-0.2 4,-0.2 -2,-0.2 0.796 114.1 18.6-107.1 -71.9 10.5 69.9 38.2 13 16 A L I < - 0 0 56 -7,-0.2 4,-1.9 1,-0.2 3,-0.4 -0.988 23.6-143.3-123.3 112.4 10.1 75.0 45.8 18 21 A T H >> S+ 0 0 0 -2,-0.5 4,-2.4 1,-0.2 3,-0.6 0.908 95.0 51.9 -40.8 -66.5 9.2 78.7 45.8 19 22 A I H 3> S+ 0 0 9 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.842 109.4 49.8 -42.6 -48.6 7.3 78.7 49.2 20 23 A D H 3> S+ 0 0 33 -3,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.903 110.7 50.0 -62.6 -40.3 10.2 77.1 51.0 21 24 A E H <>S+ 0 0 0 -4,-1.4 5,-1.3 -5,-0.3 3,-0.9 0.898 100.5 58.4 -80.1 -42.1 10.0 80.9 54.1 24 27 A R H ><5S+ 0 0 119 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.875 105.2 51.2 -54.7 -38.8 13.7 80.6 54.8 25 28 A E H 3<5S+ 0 0 28 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.759 108.9 50.1 -71.8 -23.7 14.0 84.4 54.4 26 29 A A T <<5S- 0 0 28 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.131 110.9-127.1 -96.8 17.7 11.2 84.9 56.9 27 30 A G T < 5S+ 0 0 61 -3,-1.4 3,-0.3 1,-0.2 -3,-0.2 0.496 86.6 102.5 50.7 8.2 13.0 82.5 59.2 28 31 A V >< + 0 0 43 -5,-1.3 4,-1.1 1,-0.2 3,-0.3 -0.002 36.0 120.0-107.8 29.6 9.9 80.4 59.6 29 32 A E H > S+ 0 0 76 -6,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.615 71.1 55.8 -68.3 -15.7 11.1 77.6 57.3 30 33 A E H > S+ 0 0 122 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.841 105.6 49.3 -85.0 -36.8 10.9 74.9 60.0 31 34 A E H 4 S+ 0 0 137 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.757 112.0 49.7 -72.8 -25.8 7.3 75.5 61.0 32 35 A V H < S+ 0 0 2 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.732 111.6 47.3 -84.6 -24.8 6.3 75.3 57.3 33 36 A K H >< S+ 0 0 119 -4,-0.6 3,-1.2 1,-0.2 2,-1.1 0.697 102.2 68.9 -86.3 -23.7 8.2 72.1 56.8 34 37 A K T 3< S+ 0 0 138 -4,-1.3 -1,-0.2 1,-0.3 -4,-0.1 -0.691 118.2 18.6 -99.1 78.2 6.6 70.7 60.0 35 38 A I T 3 0 0 108 -2,-1.1 -1,-0.3 -3,-0.2 -2,-0.1 0.241 360.0 360.0 128.6 22.2 3.0 70.4 58.7 36 39 A T < 0 0 101 -3,-1.2 -3,-0.1 -6,-0.1 -2,-0.1 0.407 360.0 360.0 -24.3 360.0 4.7 70.6 55.3 37 ! 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 38 48 A N > 0 0 136 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -38.3 -6.7 70.7 51.2 39 49 A F H > + 0 0 45 2,-0.2 4,-1.7 1,-0.2 91,-0.1 0.943 360.0 45.4 -55.4 -42.1 -3.6 71.3 49.1 40 50 A E H >> S+ 0 0 29 89,-0.4 4,-3.1 2,-0.2 3,-0.8 0.977 108.0 51.5 -60.1 -62.9 -5.1 74.8 49.1 41 51 A Q H 3> S+ 0 0 131 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.859 113.7 49.5 -43.9 -39.4 -5.9 74.9 52.8 42 52 A S H 3X S+ 0 0 27 -4,-2.8 4,-2.3 2,-0.2 -1,-0.3 0.847 109.7 49.3 -69.8 -37.3 -2.3 73.9 53.3 43 53 A L H < S+ 0 0 19 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.920 110.6 54.2 -61.3 -46.8 1.8 78.2 55.0 47 57 A V H >< S+ 0 0 2 -4,-3.0 3,-2.3 1,-0.2 -1,-0.2 0.871 98.7 64.3 -56.4 -40.1 1.4 81.6 53.3 48 58 A S H >< S+ 0 0 63 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.882 88.9 65.8 -52.7 -42.9 0.0 83.1 56.5 49 59 A L T << S+ 0 0 65 -4,-1.0 -1,-0.3 -3,-0.7 3,-0.2 0.510 91.9 66.0 -60.9 -0.4 3.3 82.5 58.3 50 60 A L T X S+ 0 0 2 -3,-2.3 3,-0.8 1,-0.2 72,-0.7 -0.216 70.2 150.0-110.2 36.8 4.7 85.1 55.9 51 61 A K T < S+ 0 0 116 -3,-1.1 -1,-0.2 1,-0.2 72,-0.1 0.747 74.8 4.1 -42.6 -45.5 2.5 87.7 57.5 52 62 A D T 3 S+ 0 0 97 -3,-0.2 -1,-0.2 69,-0.1 69,-0.1 0.146 80.0 155.7-135.9 25.5 4.6 90.8 57.0 53 63 A L < - 0 0 16 -3,-0.8 67,-2.9 67,-0.1 2,-0.3 -0.234 48.0-115.9 -53.5 134.6 7.6 89.7 54.9 54 64 A P B >> -M 119 0C 41 0, 0.0 3,-2.3 0, 0.0 4,-1.4 -0.615 15.1-126.5 -77.2 133.7 8.9 92.7 52.9 55 65 A I H 3> S+ 0 0 36 63,-2.7 4,-2.8 -2,-0.3 5,-0.3 0.845 111.9 66.4 -45.8 -35.4 8.6 92.4 49.2 56 66 A E H 3> S+ 0 0 143 62,-0.4 4,-1.1 1,-0.2 -1,-0.3 0.876 101.1 47.6 -54.0 -41.3 12.4 93.1 49.2 57 67 A K H <> S+ 0 0 87 -3,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.868 109.5 52.2 -69.6 -38.4 12.9 89.8 51.0 58 68 A V H X S+ 0 0 1 -4,-1.4 4,-2.7 1,-0.2 3,-0.3 0.949 107.1 52.1 -62.1 -49.4 10.6 87.9 48.6 59 69 A E H X S+ 0 0 74 -4,-2.8 4,-0.9 1,-0.3 -1,-0.2 0.820 109.5 52.2 -55.4 -32.5 12.6 89.2 45.6 60 70 A K H < S+ 0 0 116 -4,-1.1 4,-0.4 -5,-0.3 -1,-0.3 0.852 110.6 46.5 -73.7 -36.8 15.7 88.0 47.4 61 71 A A H >< S+ 0 0 0 -4,-1.8 3,-2.5 -3,-0.3 4,-0.5 0.980 109.6 51.2 -69.6 -55.8 14.3 84.5 47.9 62 72 A I H >< S+ 0 0 13 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.745 97.2 70.5 -55.5 -23.3 13.0 84.0 44.3 63 73 A K T 3< S+ 0 0 166 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.751 90.5 60.5 -66.6 -22.5 16.4 85.0 42.9 64 74 A R T < S+ 0 0 63 -3,-2.5 2,-0.3 -4,-0.4 -1,-0.3 0.736 78.0 110.8 -75.2 -22.3 17.8 81.7 44.3 65 75 A I < - 0 0 16 -3,-1.0 -3,-0.0 -4,-0.5 -47,-0.0 -0.354 49.5-177.3 -57.5 115.9 15.4 79.8 42.0 66 76 A T - 0 0 64 -2,-0.3 -51,-2.4 1,-0.0 -50,-0.4 -0.893 28.9-103.8-118.0 148.7 17.4 78.1 39.3 67 77 A P B -L 14 0B 42 0, 0.0 -53,-0.3 0, 0.0 3,-0.1 -0.389 43.6 -99.9 -70.0 147.2 16.3 76.0 36.4 68 78 A T > - 0 0 2 -55,-2.9 3,-2.6 1,-0.2 4,-0.2 -0.290 54.0 -78.3 -64.2 147.1 16.7 72.2 36.6 69 79 A E T 3 S+ 0 0 104 1,-0.3 124,-2.6 122,-0.2 125,-0.2 -0.207 120.0 15.8 -46.5 124.9 19.6 70.7 34.7 70 80 A G T 3> S+ 0 0 4 122,-0.2 4,-2.7 123,-0.2 5,-0.3 0.299 83.8 128.0 92.5 -8.7 18.8 70.5 31.0 71 81 A A H <> S+ 0 0 3 -3,-2.6 4,-2.6 1,-0.2 5,-0.2 0.903 73.9 44.2 -46.9 -57.7 15.8 72.9 31.1 72 82 A E H > S+ 0 0 123 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 115.9 45.1 -56.4 -51.6 17.0 75.2 28.2 73 83 A E H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 114.1 50.9 -60.9 -42.4 18.1 72.4 25.9 74 84 A T H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.934 110.6 47.2 -63.6 -44.7 15.0 70.4 26.5 75 85 A I H X S+ 0 0 5 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.898 112.1 51.5 -64.3 -37.6 12.7 73.4 25.8 76 86 A K H X S+ 0 0 151 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.958 112.1 44.8 -64.5 -50.3 14.6 74.2 22.6 77 87 A E H X S+ 0 0 62 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.859 110.0 56.1 -61.9 -36.8 14.3 70.7 21.3 78 88 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 -5,-0.2 3,-0.2 0.884 107.3 48.4 -63.7 -39.4 10.6 70.4 22.2 79 89 A K H ><5S+ 0 0 85 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.932 107.8 55.1 -66.6 -42.4 9.8 73.5 20.2 80 90 A N H 3<5S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.766 105.0 54.7 -61.6 -22.3 11.7 72.1 17.3 81 91 A R T 3<5S- 0 0 76 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.241 128.6 -96.7 -95.2 15.0 9.5 69.0 17.5 82 92 A G T < 5S+ 0 0 38 -3,-2.2 -79,-2.0 1,-0.2 2,-0.3 0.709 74.2 145.0 84.0 22.8 6.4 71.1 17.2 83 93 A Y E < -a 3 0A 17 -5,-2.3 2,-0.5 -81,-0.2 -79,-0.2 -0.725 47.7-139.1-100.2 146.6 5.4 71.5 20.9 84 94 A V E -a 4 0A 15 -81,-2.6 -79,-2.2 -2,-0.3 2,-0.5 -0.844 31.2-145.0 -90.6 130.9 3.8 74.4 22.7 85 95 A V E +a 5 0A 0 -2,-0.5 21,-2.9 -81,-0.2 22,-1.1 -0.907 26.5 166.0-109.5 126.2 5.7 74.5 26.0 86 96 A A E -ac 6 107A 0 -81,-2.1 -79,-2.8 -2,-0.5 2,-0.3 -0.923 19.8-156.1-135.5 158.6 3.9 75.6 29.2 87 97 A V E -ac 7 108A 1 20,-1.7 22,-1.5 -2,-0.3 2,-0.4 -0.954 5.5-166.1-133.9 151.6 4.5 75.5 32.9 88 98 A V E -ac 8 109A 0 -81,-2.3 -79,-1.8 -2,-0.3 2,-0.4 -0.999 5.7-169.4-141.3 137.2 2.1 75.6 35.8 89 99 A S E - 0 0 0 20,-3.0 22,-0.2 -2,-0.4 4,-0.1 -0.975 31.4-157.9-132.6 141.9 2.7 76.2 39.5 90 100 A G E S+ 0 0 7 -2,-0.4 20,-0.1 20,-0.2 -1,-0.1 0.476 91.1 74.9 -85.7 -3.7 0.8 75.9 42.7 91 101 A G E S- 0 0 6 1,-0.1 20,-2.6 20,-0.1 2,-0.4 0.313 95.5 -49.2 -82.8-145.2 3.4 78.4 43.7 92 102 A F E >> - c 0 111A 0 18,-0.2 3,-2.0 1,-0.1 4,-1.8 -0.836 21.1-139.6-119.8 142.2 3.6 82.1 42.8 93 103 A D H 3> S+ 0 0 50 18,-3.3 4,-2.3 -2,-0.4 5,-0.4 0.786 99.0 67.4 -43.0 -48.7 3.4 84.4 39.8 94 104 A I H 34 S+ 0 0 46 1,-0.2 -1,-0.3 17,-0.2 4,-0.2 0.727 112.6 33.1 -55.2 -22.2 6.2 86.7 40.9 95 105 A A H <> S+ 0 0 5 -3,-2.0 4,-1.4 2,-0.1 3,-0.2 0.836 117.2 48.8-102.4 -43.8 8.6 83.8 40.4 96 106 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.804 103.0 59.6 -71.3 -30.0 7.3 81.8 37.5 97 107 A N H X S+ 0 0 63 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.879 105.5 50.3 -66.3 -36.0 6.7 84.8 35.1 98 108 A K H > S+ 0 0 76 -5,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.915 112.6 46.6 -66.3 -41.7 10.4 85.6 35.2 99 109 A I H X S+ 0 0 14 -4,-1.4 4,-2.8 1,-0.2 5,-0.3 0.907 108.2 58.2 -64.1 -41.4 11.3 82.0 34.5 100 110 A K H X>S+ 0 0 49 -4,-2.6 5,-2.6 2,-0.2 4,-0.7 0.886 112.3 38.1 -55.0 -46.4 8.7 82.0 31.7 101 111 A E H <5S+ 0 0 132 -4,-1.9 3,-0.3 3,-0.2 -1,-0.2 0.925 116.1 52.7 -73.5 -43.9 10.4 84.8 29.8 102 112 A K H <5S+ 0 0 148 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.834 119.8 33.7 -61.9 -31.7 13.9 83.7 30.7 103 113 A L H <5S- 0 0 20 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.516 108.8-122.4-100.6 -6.1 13.2 80.2 29.3 104 114 A G T <5 + 0 0 28 -4,-0.7 -3,-0.2 -3,-0.3 -19,-0.2 0.893 44.4 176.9 69.1 39.8 10.9 81.4 26.6 105 115 A L < - 0 0 8 -5,-2.6 -19,-0.2 -6,-0.2 -1,-0.2 -0.426 31.5-137.0 -73.9 152.0 7.9 79.3 27.7 106 116 A D S S+ 0 0 68 -21,-2.9 2,-0.3 1,-0.2 -20,-0.2 0.845 82.5 14.0 -79.0 -33.4 4.7 79.8 25.8 107 117 A Y E -c 86 0A 49 -22,-1.1 -20,-1.7 2,-0.0 2,-0.3 -0.982 59.0-172.7-142.6 152.3 2.4 79.8 28.8 108 118 A A E +c 87 0A 19 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.976 4.7 179.9-147.6 129.6 2.7 80.2 32.6 109 119 A F E +c 88 0A 53 -22,-1.5 -20,-3.0 -2,-0.3 2,-0.3 -0.999 18.4 136.2-132.0 136.4 0.1 79.8 35.3 110 120 A A E - 0 0 11 -2,-0.4 17,-0.4 -22,-0.2 -18,-0.2 -0.946 48.2 -85.3-161.8 178.7 0.5 80.1 39.0 111 121 A N E -c 92 0A 0 -20,-2.6 -18,-3.3 -2,-0.3 2,-0.5 -0.352 41.6-113.0 -89.8 175.6 -1.0 81.6 42.2 112 122 A R E -N 125 0C 87 13,-2.8 13,-1.7 -20,-0.2 2,-1.1 -0.945 6.3-146.3-119.6 127.7 -0.6 85.2 43.5 113 123 A L E -N 124 0C 17 -2,-0.5 11,-0.2 11,-0.2 2,-0.1 -0.771 32.1-134.1 -87.1 99.9 1.2 86.4 46.6 114 124 A I E - 0 0 45 9,-1.3 7,-1.8 -2,-1.1 9,-0.3 -0.339 25.6-164.8 -59.7 125.4 -1.0 89.4 47.5 115 125 A V E -N 120 0C 80 5,-0.2 2,-0.3 -2,-0.1 5,-0.2 -0.836 14.5-176.0-116.0 154.1 1.1 92.4 48.5 116 126 A K E > S-N 119 0C 138 3,-2.8 3,-1.2 -2,-0.3 -2,-0.0 -0.954 73.3 -13.8-149.4 122.3 0.3 95.7 50.2 117 127 A D T 3 S- 0 0 144 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.947 128.4 -51.7 48.7 58.5 2.7 98.6 50.8 118 128 A G T 3 S+ 0 0 34 1,-0.1 -63,-2.7 -64,-0.1 -62,-0.4 0.705 122.0 101.6 54.7 22.6 5.7 96.5 49.8 119 129 A K E < S-MN 54 116C 99 -3,-1.2 -3,-2.8 -65,-0.3 2,-0.4 -0.996 76.9-110.0-140.1 144.8 4.7 93.8 52.3 120 130 A L E - N 0 115C 5 -67,-2.9 -5,-0.2 -2,-0.3 -67,-0.1 -0.568 17.0-152.2 -74.4 126.3 3.0 90.4 52.1 121 131 A T E - 0 0 37 -7,-1.8 -70,-0.2 -2,-0.4 -1,-0.1 0.166 40.6-114.6 -82.7 17.4 -0.5 90.5 53.6 122 132 A G E S+ 0 0 7 -72,-0.7 2,-0.3 -8,-0.2 -71,-0.2 0.512 83.3 108.3 62.8 4.6 -0.2 86.8 54.4 123 133 A D E - 0 0 64 -9,-0.3 -9,-1.3 -73,-0.1 2,-0.3 -0.813 49.8-160.1-115.7 154.4 -2.9 85.9 52.0 124 134 A V E - N 0 113C 0 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.963 5.2-171.4-134.9 151.0 -3.0 84.3 48.5 125 135 A E E + N 0 112C 102 -13,-1.7 -13,-2.8 -2,-0.3 2,-0.2 -0.810 24.7 118.2-128.7 169.3 -5.3 84.1 45.5 126 136 A G - 0 0 17 -2,-0.3 3,-0.2 -15,-0.2 -15,-0.2 -0.767 61.0-108.0 149.9 164.6 -5.3 82.0 42.3 127 137 A E S S+ 0 0 124 -17,-0.4 10,-0.1 -2,-0.2 -16,-0.1 0.124 103.8 70.7-107.7 15.2 -6.7 79.4 39.8 128 138 A V S S+ 0 0 5 -37,-0.1 -1,-0.2 -38,-0.1 -17,-0.2 -0.370 77.5 86.2-126.4 51.0 -4.1 76.7 40.8 129 139 A L + 0 0 12 -3,-0.2 -89,-0.4 -19,-0.1 -86,-0.1 0.743 62.0 84.4-116.6 -46.3 -5.6 76.0 44.2 130 140 A K S > S- 0 0 127 -91,-0.1 3,-1.9 1,-0.1 4,-0.3 -0.124 89.9-100.9 -62.8 160.7 -8.4 73.4 43.9 131 141 A E T 3 S+ 0 0 180 1,-0.3 32,-0.3 2,-0.1 3,-0.1 0.762 123.9 36.7 -52.3 -29.9 -7.8 69.6 43.9 132 142 A N T 3> S+ 0 0 76 1,-0.1 4,-1.7 2,-0.1 -1,-0.3 0.266 82.3 116.6-111.2 12.4 -8.2 69.6 40.1 133 143 A A H <> S+ 0 0 7 -3,-1.9 4,-2.2 1,-0.2 5,-0.2 0.860 73.5 47.8 -49.2 -52.0 -6.6 72.9 39.2 134 144 A K H > S+ 0 0 16 26,-0.3 4,-2.7 -4,-0.3 -1,-0.2 0.899 109.6 53.0 -64.1 -38.1 -3.6 71.7 37.0 135 145 A G H > S+ 0 0 1 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.888 109.3 51.1 -61.9 -37.6 -5.8 69.4 34.9 136 146 A E H X S+ 0 0 81 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.896 108.9 50.3 -64.9 -41.4 -8.0 72.4 34.3 137 147 A I H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.925 108.8 52.4 -62.3 -44.1 -5.0 74.4 33.2 138 148 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.947 112.6 44.9 -58.1 -47.7 -4.0 71.6 30.9 139 149 A E H X S+ 0 0 63 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.929 110.5 54.9 -60.3 -47.1 -7.4 71.6 29.3 140 150 A K H X S+ 0 0 117 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.914 111.0 43.1 -53.0 -50.4 -7.6 75.4 29.1 141 151 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.887 114.1 50.6 -65.9 -40.6 -4.3 75.7 27.1 142 152 A A H X>S+ 0 0 2 -4,-2.0 5,-2.5 -5,-0.3 4,-1.4 0.932 111.2 49.9 -62.7 -43.5 -5.2 72.8 24.8 143 153 A K H <5S+ 0 0 183 -4,-3.1 3,-0.5 1,-0.2 -2,-0.2 0.938 111.1 47.8 -60.3 -48.9 -8.6 74.4 24.1 144 154 A I H <5S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.860 118.7 41.1 -60.7 -37.0 -7.0 77.8 23.3 145 155 A E H <5S- 0 0 44 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.566 107.5-124.1 -87.8 -12.2 -4.4 76.1 21.0 146 156 A G T <5 + 0 0 64 -4,-1.4 2,-0.4 -3,-0.5 -3,-0.2 0.939 58.1 150.8 67.2 44.1 -6.9 73.7 19.5 147 157 A I < - 0 0 11 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.2 -0.913 47.3-120.4-110.0 135.2 -4.7 70.7 20.5 148 158 A N > - 0 0 103 -2,-0.4 3,-2.6 1,-0.1 -144,-0.2 -0.522 20.5-122.1 -75.0 142.1 -6.4 67.4 21.2 149 159 A L G > S+ 0 0 61 1,-0.3 3,-1.6 -2,-0.2 20,-0.9 0.810 111.5 64.7 -52.9 -30.6 -5.8 66.0 24.7 150 160 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 18,-0.1 18,-0.0 0.691 98.7 55.9 -68.5 -14.5 -4.3 62.8 23.2 151 161 A D G < S+ 0 0 29 -3,-2.6 -147,-2.3 -149,-0.1 2,-0.3 0.000 91.5 100.1-104.1 28.8 -1.5 65.1 21.9 152 162 A T E < -b 4 0A 2 -3,-1.6 18,-1.9 -149,-0.2 17,-0.8 -0.873 53.2-158.8-116.4 150.7 -0.6 66.5 25.3 153 163 A V E -bd 5 170A 6 -149,-2.4 -147,-3.4 -2,-0.3 2,-0.4 -0.991 3.5-159.9-128.3 131.3 2.2 65.6 27.8 154 164 A A E -bd 6 171A 0 16,-2.7 18,-2.8 -2,-0.4 2,-0.5 -0.940 1.8-166.0-114.0 133.2 2.1 66.3 31.5 155 165 A V E +bd 7 172A 0 -149,-2.8 -147,-2.4 -2,-0.4 2,-0.2 -0.946 23.7 170.4-120.9 108.1 5.4 66.4 33.5 156 166 A G E - d 0 173A 0 16,-2.2 18,-2.3 -2,-0.5 20,-0.1 -0.638 38.4-158.3-121.1 176.8 4.9 66.2 37.2 157 167 A D - 0 0 18 -2,-0.2 20,-2.8 1,-0.2 23,-0.3 0.709 67.0 -22.9-117.4 -42.7 6.4 65.9 40.7 158 168 A G S > S- 0 0 5 18,-0.2 3,-2.8 22,-0.1 4,-0.4 -0.732 89.4 -35.1-152.7-157.8 3.8 64.8 43.1 159 169 A A G > S+ 0 0 54 1,-0.3 3,-1.1 -2,-0.2 4,-0.3 0.762 120.8 56.7 -46.7 -36.4 0.2 64.4 44.4 160 170 A N G 3 S+ 0 0 62 1,-0.2 -26,-0.3 2,-0.1 -1,-0.3 0.503 98.1 62.9 -80.5 1.1 -1.0 67.7 43.0 161 171 A D G <> S+ 0 0 3 -3,-2.8 4,-1.9 1,-0.1 3,-0.4 0.488 78.5 88.3 -98.6 -3.5 0.0 66.7 39.5 162 172 A I H <> S+ 0 0 40 -3,-1.1 4,-2.4 -4,-0.4 -1,-0.1 0.885 82.2 55.1 -62.1 -39.9 -2.4 63.8 39.4 163 173 A S H > S+ 0 0 17 -32,-0.3 4,-0.5 -4,-0.3 -1,-0.2 0.838 109.5 49.7 -62.9 -30.2 -5.3 65.9 38.1 164 174 A X H >> S+ 0 0 0 -3,-0.4 4,-1.2 -4,-0.2 3,-0.9 0.872 106.7 54.5 -74.2 -38.4 -3.0 66.9 35.2 165 175 A F H >< S+ 0 0 5 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.943 102.1 59.3 -59.6 -46.1 -2.0 63.2 34.6 166 176 A K H 3< S+ 0 0 173 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.696 111.7 38.5 -57.1 -23.4 -5.7 62.4 34.3 167 177 A K H << S+ 0 0 70 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.592 99.2 96.4-103.8 -14.6 -6.2 64.8 31.3 168 178 A A << - 0 0 8 -4,-1.2 -15,-0.2 -3,-0.7 3,-0.1 -0.495 64.1-146.0 -83.3 147.4 -2.9 64.1 29.6 169 179 A G S S+ 0 0 39 -20,-0.9 2,-0.4 -17,-0.8 -16,-0.2 0.874 95.0 29.7 -73.1 -39.5 -2.2 61.8 26.7 170 180 A L E S-d 153 0A 45 -18,-1.9 -16,-2.7 2,-0.0 2,-0.5 -0.993 75.6-155.6-125.9 128.7 1.3 61.0 28.0 171 181 A K E -d 154 0A 49 -2,-0.4 14,-2.6 -18,-0.2 15,-2.2 -0.913 10.3-171.8-108.0 121.2 2.1 61.1 31.8 172 182 A I E -de 155 186A 0 -18,-2.8 -16,-2.2 -2,-0.5 2,-0.7 -0.941 12.9-157.2-120.1 122.9 5.7 61.6 32.9 173 183 A A E -de 156 187A 0 13,-3.2 15,-3.4 -2,-0.5 2,-0.7 -0.853 13.8-163.1 -94.2 117.3 7.0 61.3 36.4 174 184 A F E - e 0 188A 0 -18,-2.3 15,-0.2 -2,-0.7 3,-0.1 -0.889 69.8 -41.9-108.2 107.6 10.2 63.4 36.7 175 185 A C S S+ 0 0 30 13,-3.2 -1,-0.2 -2,-0.7 14,-0.1 0.875 103.1 171.5 39.6 48.4 12.3 62.5 39.8 176 186 A A - 0 0 12 12,-0.3 -18,-0.2 1,-0.2 -1,-0.1 -0.100 40.0 -83.7 -85.2 177.4 8.9 62.4 41.5 177 187 A K >> - 0 0 113 -20,-2.8 3,-2.0 1,-0.1 4,-1.3 -0.470 48.5-108.8 -75.2 150.4 7.4 61.4 44.8 178 188 A P H 3> S+ 0 0 96 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.903 116.7 65.4 -50.0 -42.9 6.6 57.7 45.0 179 189 A I H 34 S+ 0 0 78 1,-0.2 4,-0.2 2,-0.1 -21,-0.1 0.753 106.0 43.7 -53.0 -25.3 2.9 58.3 44.8 180 190 A L H X> S+ 0 0 0 -3,-2.0 4,-1.0 -23,-0.3 3,-0.7 0.818 97.8 73.1 -90.2 -32.0 3.3 59.7 41.3 181 191 A K H >< S+ 0 0 30 -4,-1.3 3,-0.6 -3,-0.5 217,-0.2 0.847 96.1 45.9 -52.2 -48.3 5.7 57.1 39.8 182 192 A E T 3< S+ 0 0 119 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.733 110.0 56.7 -73.6 -19.1 3.3 54.2 39.4 183 193 A K T <4 S+ 0 0 97 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.710 92.3 87.8 -84.3 -18.1 0.7 56.4 37.8 184 194 A A S << S- 0 0 2 -4,-1.0 -12,-0.2 -3,-0.6 3,-0.1 -0.265 71.4-139.8 -78.5 164.5 2.9 57.7 35.0 185 195 A D S S+ 0 0 47 -14,-2.6 2,-0.4 1,-0.3 -13,-0.2 0.787 97.4 31.2 -86.0 -33.1 3.5 56.2 31.6 186 196 A I E -e 172 0A 15 -15,-2.2 -13,-3.2 211,-0.1 2,-0.6 -0.987 69.9-159.6-130.3 129.7 7.1 57.1 32.0 187 197 A C E -eF 173 396A 8 209,-0.6 209,-0.6 -2,-0.4 2,-0.6 -0.933 6.3-165.2-112.4 121.4 9.3 57.3 35.1 188 198 A I E +e 174 0A 3 -15,-3.4 -13,-3.2 -2,-0.6 -12,-0.3 -0.916 13.7 171.8-108.5 119.8 12.5 59.4 35.0 189 199 A E + 0 0 34 -2,-0.6 2,-0.5 201,-0.2 -1,-0.1 0.563 56.0 82.3-101.3 -14.5 14.9 58.8 37.9 190 200 A K S S- 0 0 55 2,-0.1 2,-2.2 204,-0.1 5,-0.2 -0.819 82.9-124.4 -94.1 130.6 17.9 60.9 36.7 191 201 A R S S+ 0 0 92 -2,-0.5 2,-0.3 -17,-0.1 -122,-0.2 -0.406 75.4 101.6 -76.4 71.4 17.7 64.6 37.3 192 202 A D > - 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0 0 101 151,-0.2 153,-0.3 150,-0.1 2,-0.3 -0.681 360.0-174.3 -86.6 135.7 21.8 39.1 17.4 205 506 B K E -g 292 0A 15 86,-1.7 88,-2.9 -2,-0.4 2,-0.4 -0.878 13.3-144.6-127.8 161.0 20.9 40.5 20.8 206 507 B L E -gh 293 361A 0 154,-2.2 156,-2.4 -2,-0.3 2,-0.5 -0.984 9.4-174.2-131.1 134.6 20.8 39.3 24.4 207 508 B I E -gh 294 362A 0 86,-2.3 88,-2.6 -2,-0.4 2,-0.5 -0.996 8.9-167.8-124.9 129.0 18.5 40.1 27.3 208 509 B L E -gh 295 363A 0 154,-2.8 156,-2.5 -2,-0.5 2,-0.3 -0.982 6.7-160.0-121.6 121.6 19.3 38.7 30.7 209 510 B F E -gh 296 364A 0 86,-2.6 88,-2.3 -2,-0.5 2,-0.2 -0.748 18.8-124.8-101.0 147.7 16.7 38.9 33.5 210 511 B N E > -g 297 0A 6 154,-2.1 5,-1.5 -2,-0.3 88,-0.2 -0.614 24.7-146.8 -80.8 149.9 17.2 38.6 37.2 211 512 B F I >>> + 0 0 0 86,-1.7 3,-1.8 -2,-0.2 5,-1.7 0.951 68.8 72.4 -83.4 -77.3 15.0 35.8 38.5 212 513 B D I 345S- 0 0 13 1,-0.3 7,-0.2 2,-0.2 5,-0.1 -0.178 122.2 -10.6 -50.6 119.4 13.7 36.6 42.1 213 514 B S I 345S+ 0 0 22 5,-1.5 -1,-0.3 3,-0.3 4,-0.1 0.343 134.9 63.7 71.5 -7.6 11.1 39.4 42.2 214 515 B T I <45S+ 0 0 0 -3,-1.8 -3,-0.2 4,-0.2 -2,-0.2 0.746 113.8 16.9-106.9 -77.2 11.8 40.2 38.5 215 516 B L I < - 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