==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-APR-99 1CI9 . COMPND 2 MOLECULE: PROTEIN (CARBOXYLESTERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA GLADIOLI; . AUTHOR U.G.WAGNER,E.I.PETERSEN,H.SCHWAB,C.KRATKY . 754 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 510 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 2 0.3 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 7 3 1 0 4 1 2 1 0 4 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 3 8 3 2 3 1 2 2 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 . 4 3 1 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 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 15 A A > 0 0 66 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -63.0 -25.4 64.9 111.7 2 16 A A H > + 0 0 88 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.898 360.0 45.8 -63.1 -37.7 -28.7 65.6 113.5 3 17 A S H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.957 114.7 44.6 -67.1 -47.9 -29.2 67.9 110.5 4 18 A L H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.921 110.5 56.3 -64.7 -39.8 -28.1 65.3 108.0 5 19 A A H X S+ 0 0 14 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.915 107.5 48.2 -59.9 -41.7 -30.1 62.7 109.7 6 20 A A H X S+ 0 0 62 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.903 112.1 47.9 -65.9 -38.5 -33.4 64.7 109.4 7 21 A R H X S+ 0 0 81 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.919 114.9 45.8 -67.6 -39.7 -32.8 65.4 105.7 8 22 A L H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.926 111.2 51.8 -70.3 -44.9 -32.0 61.8 105.0 9 23 A D H X S+ 0 0 36 -4,-2.4 4,-3.0 -5,-0.3 -1,-0.2 0.837 106.8 54.2 -59.1 -36.4 -35.0 60.5 107.0 10 24 A A H X S+ 0 0 55 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.878 107.9 49.7 -68.5 -37.4 -37.4 62.8 105.1 11 25 A V H X S+ 0 0 25 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.954 114.8 44.2 -63.7 -45.3 -36.2 61.4 101.8 12 26 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.929 109.3 56.8 -65.2 -42.3 -36.7 57.8 103.0 13 27 A D H X S+ 0 0 69 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.901 110.5 44.0 -55.9 -40.4 -40.0 58.7 104.6 14 28 A Q H X S+ 0 0 94 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.930 111.6 52.7 -73.6 -41.9 -41.4 59.9 101.3 15 29 A A H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 6,-0.8 0.896 113.2 44.9 -56.4 -42.4 -39.9 57.0 99.3 16 30 A L H ><5S+ 0 0 43 -4,-2.6 3,-1.3 3,-0.2 -1,-0.2 0.919 111.7 52.1 -66.0 -46.7 -41.6 54.5 101.7 17 31 A R H 3<5S+ 0 0 168 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.885 111.6 46.5 -55.9 -44.6 -44.9 56.4 101.7 18 32 A E T 3<5S- 0 0 90 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.421 112.1-123.2 -81.2 -0.5 -45.0 56.4 97.9 19 33 A R T < 5S+ 0 0 121 -3,-1.3 201,-0.3 2,-0.2 -3,-0.2 0.848 75.8 125.4 59.1 38.4 -44.1 52.7 97.9 20 34 A R S S-AB 33 350A 120 3,-2.7 3,-2.2 -2,-0.4 320,-0.2 -0.984 75.2 -24.4-129.8 119.1 -16.9 61.3 107.2 31 45 A H T 3 S- 0 0 114 318,-2.8 319,-0.1 -2,-0.5 -1,-0.1 0.846 130.9 -45.0 47.0 44.4 -13.2 60.9 107.7 32 46 A G T 3 S+ 0 0 48 317,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.428 114.6 117.6 90.5 -4.0 -13.8 57.7 109.6 33 47 A E E < -A 30 0A 116 -3,-2.2 -3,-2.7 394,-0.0 2,-0.6 -0.852 65.2-128.4-103.2 127.2 -16.7 59.0 111.7 34 48 A I E +A 29 0A 48 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.606 32.1 170.2 -73.3 116.8 -20.1 57.5 111.4 35 49 A L E + 0 0 38 -7,-2.6 2,-0.3 -2,-0.6 -6,-0.2 0.768 68.8 11.6 -92.0 -32.4 -22.6 60.3 110.8 36 50 A Y E +A 28 0A 6 -8,-1.6 -8,-2.4 -32,-0.1 -1,-0.3 -0.963 56.0 166.9-153.2 128.6 -25.7 58.2 109.9 37 51 A R E +A 27 0A 20 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.870 26.4 157.7-148.4 99.1 -26.3 54.5 110.2 38 52 A R E -A 26 0A 71 -12,-3.0 -12,-2.1 -2,-0.3 2,-0.3 -0.959 36.5-148.2-142.6 139.4 -29.9 53.6 109.7 39 53 A A E -A 25 0A 18 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.772 24.0-170.1 -93.1 145.6 -32.4 50.9 108.8 40 54 A Q E -A 24 0A 21 -16,-2.9 -16,-2.2 -2,-0.3 12,-0.1 -0.995 41.4 -22.0-137.4 139.0 -35.6 51.8 107.1 41 55 A G E S-A 23 0A 33 -2,-0.4 10,-2.1 -18,-0.2 2,-0.3 -0.314 95.3 -22.9 70.3-148.3 -38.8 49.9 106.2 42 56 A L E -G 50 0B 58 -20,-2.3 3,-0.3 8,-0.3 315,-0.1 -0.855 26.4-164.0-116.5 142.3 -39.1 46.2 105.9 43 57 A A E S+ 0 0 0 6,-2.6 172,-2.6 -2,-0.3 2,-0.4 0.858 99.7 15.5 -81.4 -41.1 -36.7 43.3 105.2 44 58 A D E >>S-G 49 0B 20 5,-1.6 5,-2.4 170,-0.2 4,-0.6 -0.939 70.8-170.1-135.9 105.2 -39.6 40.9 104.4 45 59 A R T >45S+ 0 0 58 -2,-0.4 3,-0.8 -3,-0.3 -1,-0.1 0.915 84.2 53.4 -66.2 -46.4 -42.9 42.7 103.8 46 60 A E T 345S+ 0 0 105 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.866 115.3 40.5 -62.0 -34.3 -45.1 39.6 103.7 47 61 A A T 345S- 0 0 73 2,-0.1 -1,-0.3 3,-0.0 -2,-0.2 0.538 108.0-123.8 -87.5 -7.3 -43.8 38.4 107.1 48 62 A G T <<5 + 0 0 47 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.854 54.1 159.1 67.3 32.3 -43.8 41.9 108.6 49 63 A R E < -G 44 0B 49 -5,-2.4 -6,-2.6 1,-0.0 -5,-1.6 -0.785 34.8-133.9 -93.9 115.7 -40.0 41.6 109.4 50 64 A P E -G 42 0B 47 0, 0.0 -8,-0.3 0, 0.0 2,-0.1 -0.244 21.7-102.4 -68.9 153.1 -38.4 45.0 109.9 51 65 A M - 0 0 3 -10,-2.1 2,-0.3 -8,-0.1 -12,-0.1 -0.474 39.1-158.7 -63.1 143.2 -35.1 45.9 108.4 52 66 A R > - 0 0 40 -2,-0.1 3,-2.0 -14,-0.1 -12,-0.1 -0.890 29.4-114.7-123.2 156.2 -32.2 45.8 110.8 53 67 A E T 3 S+ 0 0 3 -2,-0.3 214,-0.5 1,-0.3 215,-0.4 0.817 119.1 46.1 -59.0 -26.5 -28.8 47.6 110.7 54 68 A D T 3 S+ 0 0 42 212,-0.1 -1,-0.3 213,-0.1 -29,-0.0 0.180 81.5 137.7-100.9 14.0 -27.2 44.1 110.4 55 69 A T < - 0 0 5 -3,-2.0 212,-0.5 1,-0.1 2,-0.3 -0.316 53.4-121.6 -62.9 141.8 -29.5 42.7 107.8 56 70 A L B -h 213 0C 0 156,-2.6 158,-2.5 210,-0.1 2,-0.4 -0.656 28.0-166.4 -89.9 145.2 -27.7 40.7 105.1 57 71 A F E -I 265 0D 2 208,-2.6 208,-2.1 -2,-0.3 2,-0.4 -0.959 30.0-117.2-126.9 145.2 -28.0 41.6 101.4 58 72 A R E -I 264 0D 24 -2,-0.4 206,-0.3 156,-0.3 280,-0.1 -0.699 34.2-154.5 -69.6 125.6 -27.2 39.9 98.2 59 73 A L > - 0 0 1 204,-2.9 3,-2.3 -2,-0.4 205,-0.1 0.697 15.2-177.3 -87.9 -17.2 -24.5 42.4 96.9 60 74 A A G > S- 0 0 0 203,-0.6 3,-2.1 201,-0.6 203,-0.4 -0.327 77.8 -3.5 49.3-130.8 -24.6 41.9 93.2 61 75 A S G > S+ 0 0 10 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.611 118.6 82.6 -77.4 5.1 -22.0 44.2 91.6 62 76 A V G <> S+ 0 0 1 -3,-2.3 4,-0.6 1,-0.3 -1,-0.3 0.732 80.5 71.7 -72.7 -11.0 -21.1 45.5 95.0 63 77 A T H X> S+ 0 0 0 -3,-2.1 4,-2.4 197,-0.2 3,-0.6 0.854 81.8 74.4 -58.4 -35.4 -19.1 42.3 95.0 64 78 A K H <> S+ 0 0 7 -3,-1.3 4,-2.8 196,-0.4 5,-0.3 0.888 90.9 47.5 -61.1 -47.4 -16.7 43.8 92.5 65 79 A P H 3> S+ 0 0 3 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.870 114.2 51.0 -62.7 -27.6 -14.7 46.3 94.7 66 80 A I H S+ 0 0 0 -4,-1.6 5,-2.6 2,-0.2 6,-1.0 0.909 110.1 51.6 -68.0 -42.9 -2.2 39.4 95.4 75 89 A V H ><5S+ 0 0 23 -4,-2.4 3,-1.1 4,-0.2 -2,-0.2 0.943 109.4 49.3 -58.2 -46.5 -0.5 41.9 93.1 76 90 A A H 3<5S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.862 110.3 52.4 -62.4 -30.9 1.1 43.6 96.1 77 91 A R H 3<5S- 0 0 162 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.651 116.5-115.8 -77.7 -15.9 2.3 40.2 97.3 78 92 A G T <<5S+ 0 0 57 -3,-1.1 -3,-0.2 -4,-0.9 -2,-0.1 0.573 88.2 112.8 89.6 11.4 3.9 39.5 93.9 79 93 A E S - 0 0 24 -2,-0.3 3,-1.6 1,-0.1 26,-0.5 -0.970 20.6-131.4-144.2 140.6 1.1 41.4 88.2 82 96 A L T 3 S+ 0 0 34 -2,-0.3 26,-2.4 1,-0.3 27,-0.3 0.817 109.4 47.9 -60.4 -35.1 -1.0 44.1 86.5 83 97 A D T 3 S+ 0 0 126 24,-0.2 -1,-0.3 23,-0.2 22,-0.0 0.400 88.5 110.9 -85.5 -2.0 0.9 43.5 83.2 84 98 A A S < S- 0 0 3 -3,-1.6 23,-1.7 1,-0.1 24,-0.2 -0.516 73.0-107.9 -85.8 153.2 0.7 39.8 83.2 85 99 A P B > -K 106 0E 43 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.485 18.3-129.7 -70.7 141.0 -1.4 37.8 80.7 86 100 A V G >> S+ 0 0 2 19,-3.7 3,-2.3 1,-0.3 4,-2.3 0.860 105.4 70.4 -58.2 -33.8 -4.6 36.2 82.0 87 101 A T G 34 S+ 0 0 31 18,-0.3 -1,-0.3 1,-0.3 19,-0.1 0.689 77.5 76.2 -60.1 -19.1 -3.4 33.0 80.3 88 102 A R G <4 S+ 0 0 145 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.839 116.9 18.5 -63.5 -21.9 -0.6 32.6 82.8 89 103 A W T <4 S+ 0 0 31 -3,-2.3 -2,-0.2 -4,-0.3 -1,-0.2 0.684 137.5 37.6-113.0 -27.6 -3.4 31.4 85.2 90 104 A L >< + 0 0 13 -4,-2.3 3,-2.5 1,-0.1 -2,-0.2 -0.694 66.6 174.6-123.7 72.9 -6.1 30.5 82.7 91 105 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.851 79.3 51.3 -51.6 -37.5 -4.2 29.0 79.8 92 106 A E T 3 S+ 0 0 185 1,-0.1 2,-1.5 -3,-0.1 -5,-0.1 0.522 82.7 99.5 -84.5 0.7 -7.4 28.0 78.0 93 107 A F < + 0 0 8 -3,-2.5 -6,-0.1 1,-0.1 -1,-0.1 -0.594 43.1 145.6 -86.6 91.6 -8.9 31.5 78.2 94 108 A R - 0 0 110 -2,-1.5 -1,-0.1 -8,-0.1 10,-0.0 -0.485 25.3-172.3-132.3 67.9 -8.1 32.8 74.8 95 109 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 59,-0.1 -0.200 16.2-144.4 -51.8 143.6 -10.8 35.2 73.5 96 110 A R B -l 156 0F 140 59,-0.5 61,-2.6 57,-0.4 6,-0.2 -0.826 7.2-121.2-115.0 155.3 -10.3 36.2 69.9 97 111 A L > - 0 0 28 4,-2.6 3,-1.0 -2,-0.3 61,-0.1 -0.270 47.8 -85.7 -79.2 178.6 -11.0 39.4 68.1 98 112 A A T 3 S+ 0 0 100 59,-0.3 -1,-0.1 1,-0.2 60,-0.0 0.467 127.0 52.8 -69.5 7.8 -13.3 39.5 65.1 99 113 A D T 3 S- 0 0 119 2,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.639 119.6 -99.3-110.6 -21.9 -10.5 38.5 62.7 100 114 A G S < S+ 0 0 34 -3,-1.0 -2,-0.1 1,-0.4 2,-0.0 0.070 76.9 132.7 123.5 -19.4 -9.2 35.4 64.5 101 115 A S - 0 0 54 -5,-0.1 -4,-2.6 1,-0.1 -1,-0.4 -0.326 53.5-135.7 -66.1 146.6 -6.2 36.8 66.4 102 116 A E - 0 0 97 -6,-0.2 -6,-0.2 3,-0.0 -1,-0.1 -0.875 30.2-158.1 -97.5 95.4 -5.7 36.0 70.0 103 117 A P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 57,-0.0 -0.226 26.1 -89.9 -75.6 162.5 -4.8 39.4 71.6 104 118 A L - 0 0 110 57,-0.1 2,-0.5 -19,-0.1 -10,-0.0 -0.604 39.7-169.7 -64.2 125.5 -2.9 39.9 74.9 105 119 A V - 0 0 8 -2,-0.3 -19,-3.7 -3,-0.1 -18,-0.3 -0.963 10.7-173.3-119.9 110.2 -5.4 40.2 77.9 106 120 A T B > -K 85 0E 13 -2,-0.5 4,-1.6 -21,-0.3 3,-0.2 -0.512 40.8-105.7 -98.3 167.0 -3.7 41.4 81.1 107 121 A I H > S+ 0 0 0 -23,-1.7 4,-2.5 -26,-0.5 5,-0.2 0.866 121.5 56.7 -55.7 -37.7 -4.9 41.7 84.7 108 122 A H H > S+ 0 0 51 -26,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.897 103.0 52.7 -59.9 -46.4 -5.0 45.5 84.1 109 123 A H H >>S+ 0 0 28 -27,-0.3 5,-2.2 -3,-0.2 6,-0.9 0.868 112.4 45.7 -60.3 -37.4 -7.4 45.1 81.1 110 124 A L H ><5S+ 0 0 0 -4,-1.6 3,-1.4 2,-0.2 -2,-0.2 0.968 110.1 51.3 -72.2 -47.7 -9.7 43.0 83.2 111 125 A L H 3<5S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.841 116.6 42.3 -58.6 -35.4 -9.7 45.3 86.3 112 126 A T H 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.538 106.9-123.8 -87.7 -6.9 -10.5 48.3 84.2 113 127 A H T <<5S+ 0 0 3 -3,-1.4 53,-2.4 -4,-0.6 -3,-0.2 0.875 79.3 118.1 59.7 41.8 -13.1 46.6 81.9 114 128 A T < + 0 0 11 -5,-2.2 48,-3.4 51,-0.2 50,-0.5 0.150 39.3 98.3-116.7 14.3 -11.1 47.5 78.8 115 129 A S S S- 0 0 0 -6,-0.9 44,-0.2 46,-0.3 -5,-0.1 0.722 97.9-107.8 -75.7 -21.8 -10.4 44.0 77.7 116 130 A G S S+ 0 0 1 1,-0.4 42,-2.5 50,-0.2 -1,-0.1 0.216 78.3 127.5 108.5 -13.8 -13.2 43.7 75.1 117 131 A L + 0 0 4 40,-0.2 -1,-0.4 41,-0.1 2,-0.2 -0.256 34.2 179.3 -71.0 164.8 -15.4 41.4 77.2 118 132 A G - 0 0 2 50,-0.1 51,-2.3 -3,-0.1 2,-0.3 -0.563 21.9-100.6-142.3-152.1 -19.0 42.1 77.9 119 133 A Y >> - 0 0 9 49,-0.2 3,-1.7 -2,-0.2 4,-0.6 -0.976 23.9-121.5-141.4 148.4 -22.2 40.9 79.7 120 134 A W H >> S+ 0 0 25 -2,-0.3 4,-3.1 1,-0.3 3,-1.2 0.907 112.4 66.2 -51.1 -40.9 -25.4 39.2 78.6 121 135 A L H 34 S+ 0 0 20 1,-0.3 120,-3.3 2,-0.2 121,-0.3 0.742 84.8 70.3 -60.7 -21.0 -27.1 42.2 80.0 122 136 A L H <4 S- 0 0 59 -3,-1.7 -1,-0.3 118,-0.2 -2,-0.2 0.918 126.5 -0.2 -66.5 -38.5 -25.7 44.5 77.4 123 137 A E H << S- 0 0 139 -3,-1.2 -2,-0.2 -4,-0.6 2,-0.2 0.683 88.9-172.5-119.2 -34.7 -27.9 43.0 74.7 124 138 A G >< + 0 0 1 -4,-3.1 3,-2.0 -5,-0.2 6,-0.4 -0.487 50.6 33.5 77.6-143.2 -30.0 40.3 76.2 125 139 A A T 3 S+ 0 0 76 1,-0.3 3,-0.1 -2,-0.2 4,-0.0 -0.169 124.8 11.9 -59.4 134.3 -32.2 37.9 74.3 126 140 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.339 97.8 125.0 86.2 -9.1 -31.0 36.8 70.9 127 141 A S S <> S- 0 0 10 -3,-2.0 4,-2.5 -7,-0.1 -1,-0.2 -0.014 78.6 -97.3 -78.1-175.9 -27.5 38.3 71.3 128 142 A V H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.968 126.8 47.1 -63.5 -47.7 -24.1 36.6 70.9 129 143 A Y H >>S+ 0 0 21 1,-0.2 5,-2.1 2,-0.2 4,-0.7 0.869 111.4 52.0 -63.5 -36.8 -23.9 36.0 74.7 130 144 A D H >45S+ 0 0 64 -6,-0.4 3,-1.1 2,-0.2 -1,-0.2 0.946 109.0 50.2 -61.6 -46.1 -27.4 34.7 74.7 131 145 A R H 3<5S+ 0 0 171 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.820 111.8 48.4 -63.5 -30.0 -26.6 32.3 71.9 132 146 A L H 3<5S- 0 0 58 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.587 109.6-123.0 -91.1 -2.7 -23.6 31.1 73.8 133 147 A G T <<5 + 0 0 15 -3,-1.1 2,-0.3 -4,-0.7 -3,-0.2 0.801 48.0 170.2 71.9 26.9 -25.5 30.6 77.1 134 148 A I < - 0 0 1 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.578 22.2-143.0 -78.4 130.2 -23.2 32.9 79.0 135 149 A S - 0 0 2 -2,-0.3 17,-0.1 1,-0.1 -1,-0.0 -0.774 13.5-148.9-102.9 139.6 -24.4 33.8 82.5 136 150 A D - 0 0 21 -2,-0.3 -1,-0.1 108,-0.1 124,-0.0 0.406 49.4-110.4 -83.1 -2.4 -24.0 37.1 84.2 137 151 A G S S+ 0 0 1 2,-0.1 121,-0.2 123,-0.0 -77,-0.1 0.488 99.8 89.1 91.1 2.4 -23.7 35.5 87.7 138 152 A I S S+ 0 0 12 106,-0.1 108,-1.2 2,-0.0 111,-0.2 0.678 78.2 65.6-105.2 -27.4 -27.1 36.6 89.1 139 153 A D S S- 0 0 24 106,-0.2 2,-0.6 90,-0.1 107,-0.1 -0.436 88.7-109.2 -89.2 173.6 -29.2 33.7 87.8 140 154 A L + 0 0 61 -2,-0.1 2,-0.3 105,-0.1 115,-0.1 -0.906 40.4 174.9-108.2 118.7 -28.9 30.1 88.9 141 155 A R - 0 0 75 -2,-0.6 2,-1.4 2,-0.2 115,-0.2 -0.905 38.1-119.7-124.4 150.7 -27.4 27.7 86.2 142 156 A D S S+ 0 0 170 -2,-0.3 2,-0.3 113,-0.1 113,-0.1 -0.441 85.4 69.6 -92.5 66.5 -26.5 24.0 86.4 143 157 A F S S- 0 0 35 -2,-1.4 113,-0.5 111,-0.2 -2,-0.2 -0.963 76.0-107.2-162.9 166.9 -22.8 24.4 85.5 144 158 A D > - 0 0 88 -2,-0.3 4,-2.4 111,-0.1 5,-0.2 -0.273 36.1 -94.1-101.1-174.5 -19.6 25.7 87.2 145 159 A L H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.911 121.5 55.2 -66.4 -43.1 -17.3 28.7 86.7 146 160 A D H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.859 109.5 49.4 -56.7 -37.9 -14.9 27.0 84.4 147 161 A E H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 110.5 48.5 -70.8 -43.0 -17.8 26.1 82.2 148 162 A N H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.918 113.1 48.7 -61.8 -36.8 -19.1 29.7 82.1 149 163 A L H X S+ 0 0 9 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.855 107.2 54.9 -76.2 -29.3 -15.6 30.9 81.3 150 164 A R H X S+ 0 0 141 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.938 110.8 46.0 -60.4 -45.9 -15.2 28.4 78.5 151 165 A R H >X S+ 0 0 56 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.942 113.4 50.1 -60.9 -43.5 -18.4 29.7 77.0 152 166 A L H >< S+ 0 0 1 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.924 105.7 54.4 -61.6 -44.7 -17.3 33.3 77.5 153 167 A A H 3< S+ 0 0 15 -4,-2.7 -57,-0.4 1,-0.3 -1,-0.2 0.733 101.1 62.4 -66.3 -16.3 -13.9 32.7 75.9 154 168 A S H << S+ 0 0 66 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.659 86.5 87.8 -84.1 -12.1 -15.6 31.4 72.8 155 169 A A S << S- 0 0 4 -3,-1.7 -59,-0.5 -4,-0.5 2,-0.2 -0.572 89.2-105.9 -81.3 152.9 -17.4 34.7 72.1 156 170 A P B -l 96 0F 71 0, 0.0 -59,-0.2 0, 0.0 -2,-0.1 -0.565 35.9-109.3 -72.5 140.8 -15.5 37.3 70.0 157 171 A L - 0 0 10 -61,-2.6 -59,-0.3 -2,-0.2 -40,-0.2 -0.339 19.9-132.6 -61.4 148.4 -14.1 40.3 71.9 158 172 A S S S- 0 0 74 -42,-2.5 2,-0.3 1,-0.2 -1,-0.1 0.660 79.8 -13.4 -79.0 -19.5 -16.0 43.5 71.1 159 173 A F S S- 0 0 47 -44,-0.2 -1,-0.2 5,-0.1 5,-0.1 -0.950 91.7 -63.5-172.9 166.9 -12.8 45.5 70.5 160 174 A A > - 0 0 48 -2,-0.3 3,-2.7 1,-0.1 4,-0.3 -0.550 64.4 -95.7 -70.7 130.4 -9.1 45.3 71.0 161 175 A P T 3 S+ 0 0 22 0, 0.0 -46,-0.3 0, 0.0 -1,-0.1 -0.118 112.0 16.4 -42.3 123.9 -7.9 45.2 74.7 162 176 A G T 3 S+ 0 0 49 -48,-3.4 -47,-0.1 2,-0.3 -2,-0.1 0.285 102.8 95.5 94.7 -14.2 -7.1 48.6 75.8 163 177 A S S < S- 0 0 80 -3,-2.7 2,-0.3 -49,-0.4 -48,-0.1 0.548 92.2 -5.0 -92.9 -5.3 -8.9 50.4 73.0 164 178 A G - 0 0 26 -50,-0.5 2,-0.4 -4,-0.3 -2,-0.3 -0.957 67.6-100.8-166.5-175.8 -12.2 51.0 74.7 165 179 A W + 0 0 53 -2,-0.3 2,-0.3 135,-0.1 -51,-0.2 -0.977 35.5 157.9-125.2 136.3 -14.4 50.6 77.8 166 180 A Q - 0 0 49 -53,-2.4 -50,-0.2 -2,-0.4 -51,-0.2 -0.850 43.1-114.5-160.3 120.5 -17.3 48.2 78.2 167 181 A Y + 0 0 32 -2,-0.3 2,-0.3 -53,-0.1 -48,-0.2 -0.277 56.2 160.7 -58.2 138.4 -18.8 46.8 81.4 168 182 A S > - 0 0 0 -58,-0.1 3,-0.7 -50,-0.1 -49,-0.2 -0.927 58.7 -90.2-157.0 168.8 -18.1 43.1 81.6 169 183 A L T >> S+ 0 0 0 -51,-2.3 4,-1.9 -2,-0.3 3,-1.2 0.208 79.9 118.4 -68.2 9.8 -17.6 39.7 83.1 170 184 A A H 3> + 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.819 69.9 54.2 -56.8 -29.0 -14.0 40.5 83.7 171 185 A L H <> S+ 0 0 4 -3,-0.7 4,-1.5 2,-0.2 -1,-0.3 0.817 105.0 54.1 -77.8 -21.3 -14.3 40.2 87.5 172 186 A D H <> S+ 0 0 0 -3,-1.2 4,-1.3 87,-0.2 -2,-0.2 0.890 108.7 49.2 -71.2 -39.0 -15.7 36.8 87.1 173 187 A V H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-0.3 0.926 109.9 51.7 -58.1 -46.5 -12.6 35.9 85.0 174 188 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.817 101.0 61.7 -64.5 -30.2 -10.5 37.4 87.8 175 189 A G H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.913 105.5 47.3 -59.9 -40.8 -12.3 35.2 90.4 176 190 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.3 -2,-0.2 0.896 109.5 53.7 -66.9 -39.2 -11.0 32.2 88.6 177 191 A V H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.918 106.6 52.0 -58.8 -46.1 -7.5 33.7 88.5 178 192 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 6,-0.3 0.927 107.8 52.0 -60.1 -42.4 -7.5 34.2 92.2 179 193 A E H X>S+ 0 0 39 -4,-2.0 4,-2.1 2,-0.2 5,-0.7 0.934 112.6 45.1 -57.6 -47.9 -8.5 30.6 92.7 180 194 A R H <5S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 114.4 48.4 -62.0 -45.6 -5.5 29.5 90.5 181 195 A A H <5S+ 0 0 26 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.855 122.4 32.3 -65.7 -33.4 -3.1 31.9 92.2 182 196 A T H <5S- 0 0 36 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.656 94.9-130.3-100.2 -15.3 -4.0 30.9 95.7 183 197 A G T <5S+ 0 0 71 -4,-2.1 -3,-0.2 1,-0.3 -4,-0.1 0.746 75.0 106.4 67.7 23.7 -5.0 27.2 95.4 184 198 A Q S - 0 0 87 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.435 46.7-107.2 -63.2 153.2 -11.9 28.4 96.3 186 200 A L H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.856 117.2 55.7 -56.0 -42.8 -12.8 32.0 95.7 187 201 A A H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 111.6 42.8 -58.0 -43.8 -14.8 32.3 98.9 188 202 A A H > S+ 0 0 41 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.881 113.9 52.0 -69.0 -35.9 -11.8 31.2 101.1 189 203 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.936 110.6 46.4 -66.3 -46.3 -9.4 33.3 99.1 190 204 A V H X>S+ 0 0 3 -4,-3.0 4,-2.3 1,-0.2 5,-2.0 0.905 111.4 54.5 -62.7 -38.4 -11.5 36.5 99.5 191 205 A D H <>S+ 0 0 64 -4,-2.0 5,-3.2 -5,-0.4 -1,-0.2 0.949 114.5 39.2 -60.7 -43.5 -11.9 35.7 103.2 192 206 A A H <5S+ 0 0 51 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.859 121.3 41.1 -73.4 -38.5 -8.1 35.4 103.7 193 207 A L H <5S- 0 0 12 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.789 136.3 -1.7 -82.6 -32.1 -7.1 38.3 101.5 194 208 A V T X5S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 6,-0.3 0.717 122.3 52.2-127.9 -58.0 -9.7 40.9 102.4 195 209 A A H >XS+ 0 0 2 -5,-2.0 5,-2.6 2,-0.2 4,-0.5 0.910 111.5 45.9 -65.5 -42.5 -12.5 40.0 104.9 196 210 A Q H >4 + 0 0 84 1,-0.1 3,-1.7 2,-0.0 4,-0.2 -0.620 41.2 162.8-121.6 74.7 -29.3 31.6 107.0 210 224 A P G > S+ 0 0 74 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.736 71.5 71.8 -59.2 -26.0 -32.2 33.0 104.9 211 225 A E G 3 S+ 0 0 137 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.626 94.4 55.5 -66.6 -16.7 -33.9 34.5 108.0 212 226 A R G < S+ 0 0 43 -3,-1.7 -156,-2.6 -157,-0.1 -1,-0.3 0.528 93.4 98.4 -87.9 -10.9 -31.1 37.2 108.1 213 227 A F B < S-h 56 0C 3 -3,-1.6 2,-0.5 -4,-0.2 -156,-0.2 -0.441 74.6-120.3 -92.4 152.9 -31.7 38.4 104.6 214 228 A A - 0 0 3 -158,-2.5 -156,-0.3 -2,-0.2 -170,-0.2 -0.779 39.0-125.6 -72.8 124.9 -33.4 41.3 102.9 215 229 A V - 0 0 18 -172,-2.6 2,-0.3 -2,-0.5 -170,-0.1 -0.632 27.5-114.7 -75.6 126.4 -36.0 39.6 100.5 216 230 A P + 0 0 8 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.522 37.7 175.8 -71.9 131.2 -35.6 40.9 96.9 217 231 A Y E -Mn 226 358G 1 140,-2.6 142,-2.8 -2,-0.3 2,-0.3 -0.853 19.1-140.0-116.9 158.1 -38.4 43.0 95.4 218 232 A H E -Mn 225 359G 49 7,-2.1 7,-2.1 -2,-0.3 142,-0.2 -0.869 38.5 -83.0-117.8 157.5 -38.6 44.7 92.0 219 233 A D + 0 0 57 140,-2.9 2,-0.3 -2,-0.3 -1,-0.1 -0.155 64.2 146.4 -53.7 145.3 -40.1 48.1 91.2 220 234 A G - 0 0 17 -201,-0.3 -3,-0.0 2,-0.1 -1,-0.0 -0.985 38.7 -87.7-171.4 166.9 -43.9 48.1 90.8 221 235 A Q S S+ 0 0 170 -2,-0.3 -202,-0.1 1,-0.2 -201,-0.0 -0.998 108.5 12.3-134.2 128.2 -47.2 49.9 91.2 222 236 A P S S- 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.975 143.3 -16.7 -79.7 -11.3 -49.1 50.0 93.4 223 237 A E S S- 0 0 81 -4,-0.1 -203,-0.1 -203,-0.1 -2,-0.1 -0.979 76.6 -83.2-150.2 159.7 -46.2 48.3 95.3 224 238 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.329 48.2-130.5 -60.6 152.8 -42.9 46.5 94.7 225 239 A V E -M 218 0G 73 -7,-2.1 -7,-2.1 -6,-0.1 2,-0.2 -0.907 14.0-113.0-118.2 136.3 -43.3 42.8 94.0 226 240 A R E -M 217 0G 100 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.1 -0.410 36.9-130.5 -65.0 126.6 -41.4 39.9 95.6 227 241 A M - 0 0 10 -11,-2.7 2,-0.3 -2,-0.2 -1,-0.1 -0.438 19.7-166.4 -83.5 153.0 -39.1 38.1 93.2 228 242 A R > - 0 0 195 -2,-0.1 3,-1.2 17,-0.1 17,-0.1 -0.845 42.3 -68.3-125.7 168.9 -38.9 34.3 92.5 229 243 A D T 3 S+ 0 0 75 -2,-0.3 17,-0.3 1,-0.2 -90,-0.1 -0.307 110.8 16.2 -66.3 137.1 -36.2 32.4 90.6 230 244 A G T 3 S+ 0 0 32 15,-2.4 -1,-0.2 1,-0.3 16,-0.2 0.321 81.7 138.2 97.0 -7.2 -35.9 32.9 86.9 231 245 A I E < -O 245 0H 58 -3,-1.2 14,-2.0 14,-0.6 2,-0.4 -0.391 44.8-136.5 -75.5 156.7 -37.8 36.0 86.3 232 246 A E E -O 244 0H 94 12,-0.2 12,-0.2 -2,-0.1 -1,-0.1 -0.914 16.5-170.4-114.9 132.0 -36.5 38.7 83.9 233 247 A V E -O 243 0H 17 10,-2.9 10,-1.5 -2,-0.4 -2,-0.0 -0.945 22.5-126.8-128.9 115.4 -36.6 42.4 84.7 234 248 A P E -O 242 0H 96 0, 0.0 8,-0.3 0, 0.0 7,-0.1 -0.254 27.6-122.5 -59.8 138.8 -35.7 45.0 82.1 235 249 A L - 0 0 19 6,-2.0 5,-0.2 1,-0.1 3,-0.1 -0.396 34.6 -86.5 -78.1 157.8 -33.1 47.5 83.1 236 250 A P > - 0 0 23 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.235 62.8 -75.0 -58.7 150.3 -33.6 51.3 83.1 237 251 A E T 3 S+ 0 0 175 1,-0.3 4,-0.1 2,-0.2 0, 0.0 -0.139 122.3 17.6 -42.3 130.8 -33.1 53.2 79.9 238 252 A G T 3 S+ 0 0 90 2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.620 108.1 87.6 76.9 9.6 -29.4 53.6 79.2 239 253 A H S < S- 0 0 89 -3,-2.0 2,-0.3 1,-0.4 -2,-0.2 0.513 97.1 -96.3-114.5 -12.5 -28.5 50.8 81.6 240 254 A G - 0 0 36 -4,-0.4 -1,-0.4 -5,-0.2 -118,-0.2 -0.869 45.3 -60.6 129.7-163.8 -28.8 47.7 79.3 241 255 A A S S- 0 0 35 -120,-3.3 -6,-2.0 -2,-0.3 2,-0.3 0.969 85.1 -51.7 -85.9 -73.6 -31.3 45.1 78.3 242 256 A A E -O 234 0H 6 -121,-0.3 2,-0.4 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185 B L H <> S+ 0 0 4 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.811 105.9 53.8 -79.6 -22.1 -29.7 31.2 139.2 550 186 B D H <> S+ 0 0 0 -3,-0.7 4,-1.5 87,-0.2 -2,-0.2 0.890 110.6 47.7 -70.7 -39.7 -25.9 30.7 139.4 551 187 B V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.3 0.952 110.7 50.7 -60.2 -48.2 -26.7 27.3 141.0 552 188 B L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.847 102.7 61.8 -62.5 -29.5 -29.2 26.6 138.3 553 189 B G H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.953 106.0 45.5 -58.4 -45.0 -26.5 27.5 135.7 554 190 B A H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 -2,-0.2 0.891 110.2 54.1 -66.4 -37.9 -24.4 24.6 137.0 555 191 B V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.950 106.5 52.0 -58.8 -47.3 -27.4 22.3 137.0 556 192 B V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.922 107.5 52.9 -56.2 -43.8 -28.0 23.1 133.3 557 193 B E H X>S+ 0 0 43 -4,-2.1 4,-2.1 1,-0.2 5,-0.6 0.935 112.1 44.8 -58.7 -43.7 -24.4 22.2 132.6 558 194 B R H <5S+ 0 0 104 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.922 114.0 48.5 -69.9 -37.7 -24.8 18.9 134.3 559 195 B A H <5S+ 0 0 25 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.876 123.4 32.2 -67.1 -36.0 -28.2 18.1 132.6 560 196 B T H <5S- 0 0 37 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.677 95.4-133.9 -92.6 -23.9 -26.9 19.0 129.1 561 197 B G T <5S+ 0 0 68 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.801 72.1 109.3 66.2 25.1 -23.3 17.9 129.5 562 198 B Q S - 0 0 88 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.399 47.6-107.2 -60.7 153.4 -20.7 24.4 129.1 564 200 B L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.831 117.3 56.8 -59.0 -36.9 -23.4 27.0 130.1 565 201 B A H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.958 111.3 43.5 -58.6 -48.5 -22.8 29.2 127.1 566 202 B A H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 112.8 50.9 -65.4 -40.1 -23.4 26.4 124.7 567 203 B A H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.941 110.5 49.2 -63.1 -43.1 -26.5 25.0 126.6 568 204 B V H X>S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 5,-2.0 0.921 110.9 51.5 -63.8 -39.8 -28.1 28.5 126.6 569 205 B D H <>S+ 0 0 81 -4,-2.2 5,-2.8 -5,-0.3 -1,-0.2 0.945 115.3 41.0 -59.3 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