==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAR-13 4JGG . COMPND 2 MOLECULE: ESTERASE TESA; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.KOVACIC,J.GRANZIN,R.BATRA-SAFFERLING,K.-E.JAEGER . 360 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 27 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.8 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 2 0 0 0 0 0 2 2 0 0 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A Q 0 0 105 0, 0.0 37,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 38.6 8.5 26.9 27.6 2 2 A T E -a 38 0A 12 62,-0.4 64,-2.4 35,-0.2 65,-1.8 -0.826 360.0-154.2-103.6 138.9 10.7 25.0 25.1 3 3 A L E -ab 39 67A 0 35,-3.2 37,-2.5 -2,-0.4 2,-0.6 -0.926 17.8-159.9-107.6 105.1 11.7 26.1 21.6 4 4 A L E -ab 40 68A 0 63,-3.1 65,-3.0 -2,-0.7 2,-0.6 -0.792 4.2-161.0 -94.3 122.0 12.5 22.9 19.6 5 5 A V E -ab 41 69A 0 35,-2.7 37,-3.4 -2,-0.6 2,-0.7 -0.923 6.4-174.4 -99.8 119.8 14.6 23.3 16.5 6 6 A V E + b 0 70A 0 63,-3.0 65,-2.4 -2,-0.6 37,-0.2 -0.860 32.5 129.0-114.8 95.0 14.2 20.4 14.1 7 7 A G E - b 0 71A 0 -2,-0.7 37,-2.1 63,-0.2 65,-0.2 -0.540 47.6-118.5-131.7-168.0 16.7 20.9 11.3 8 8 A D >> - 0 0 4 63,-0.7 4,-1.9 35,-0.3 3,-0.7 -0.237 69.1 -42.2-114.6-151.1 19.5 19.5 9.2 9 9 A S H 3>>S+ 0 0 8 35,-0.4 5,-2.3 1,-0.2 4,-0.7 0.769 129.9 61.6 -47.4 -35.0 23.2 20.4 8.6 10 10 A I H 345S+ 0 0 11 1,-0.2 3,-0.4 2,-0.2 12,-0.3 0.944 113.8 32.3 -66.8 -44.0 22.4 24.1 8.4 11 11 A S H <45S+ 0 0 4 -3,-0.7 12,-0.3 60,-0.2 -1,-0.2 0.679 113.2 62.1 -88.0 -17.0 21.0 24.3 12.0 12 12 A A H <5S- 0 0 24 -4,-1.9 -1,-0.2 30,-0.1 -2,-0.2 0.543 110.4-123.2 -80.4 -7.4 23.3 21.7 13.3 13 13 A A T ><5 - 0 0 8 -4,-0.7 3,-1.6 -3,-0.4 -3,-0.2 0.895 32.1-160.5 71.0 41.4 26.2 24.0 12.3 14 14 A L T 3 - 0 0 97 -2,-0.3 3,-2.3 1,-0.2 4,-0.3 -0.575 40.6-148.7 -67.3 114.0 31.8 25.6 16.2 18 18 A T G > S+ 0 0 93 -2,-0.6 3,-1.8 1,-0.3 6,-0.5 0.823 95.2 66.3 -58.3 -31.5 28.3 24.8 17.2 19 19 A S G 3 S+ 0 0 68 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.679 105.3 45.3 -64.1 -15.2 28.5 27.3 20.1 20 20 A Q G < S+ 0 0 99 -3,-2.3 -1,-0.3 -7,-0.1 -2,-0.2 0.359 92.4 115.2-105.7 0.5 28.8 30.0 17.3 21 21 A G S <> S- 0 0 3 -3,-1.8 4,-2.0 -4,-0.3 3,-0.3 -0.269 82.6-104.0 -71.4 160.0 26.0 28.5 15.3 22 22 A W H > S+ 0 0 2 -12,-0.3 4,-1.8 1,-0.2 5,-0.1 0.843 119.8 51.7 -57.0 -37.4 22.8 30.4 14.7 23 23 A V H > S+ 0 0 8 -12,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.923 109.2 51.1 -67.4 -41.6 20.7 28.4 17.2 24 24 A A H > S+ 0 0 33 -6,-0.5 4,-1.6 -3,-0.3 -1,-0.2 0.853 110.5 49.5 -56.8 -39.2 23.3 29.0 19.8 25 25 A L H X S+ 0 0 36 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.808 106.3 56.9 -72.2 -31.1 23.1 32.7 19.0 26 26 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.939 106.5 48.9 -61.2 -47.5 19.3 32.4 19.2 27 27 A Q H X S+ 0 0 60 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.887 111.0 49.9 -63.2 -38.5 19.6 31.1 22.8 28 28 A K H X S+ 0 0 127 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.842 110.6 49.6 -70.4 -33.0 21.9 33.9 23.7 29 29 A R H X S+ 0 0 27 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.834 109.3 52.0 -73.6 -32.4 19.6 36.6 22.3 30 30 A L H <>S+ 0 0 0 -4,-2.2 5,-3.3 2,-0.2 -2,-0.2 0.933 112.6 46.2 -67.2 -44.0 16.7 35.1 24.1 31 31 A A H ><5S+ 0 0 63 -4,-2.2 3,-1.3 3,-0.2 -2,-0.2 0.940 113.8 48.4 -60.6 -48.5 18.7 35.3 27.3 32 32 A D H 3<5S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.875 110.7 48.2 -63.7 -41.3 19.9 38.9 26.6 33 33 A E T 3<5S- 0 0 51 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.277 119.8-107.1 -88.3 14.2 16.5 40.3 25.8 34 34 A G T < 5 + 0 0 69 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.832 67.7 148.3 69.0 34.5 15.0 38.8 28.9 35 35 A Y < - 0 0 69 -5,-3.3 2,-0.7 -6,-0.2 -1,-0.2 -0.747 43.3-138.6 -93.9 149.7 13.0 36.0 27.2 36 36 A D + 0 0 146 -2,-0.3 2,-0.4 2,-0.1 -5,-0.1 -0.741 48.3 133.9-114.0 82.3 12.6 32.8 29.2 37 37 A Y - 0 0 50 -2,-0.7 2,-0.6 -10,-0.1 -35,-0.2 -0.980 48.3-140.7-130.4 140.4 13.0 30.0 26.7 38 38 A R E -a 2 0A 162 -37,-2.1 -35,-3.2 -2,-0.4 2,-0.7 -0.914 23.0-148.0 -93.7 120.2 14.9 26.7 26.7 39 39 A V E -a 3 0A 24 -2,-0.6 2,-0.7 -37,-0.2 -35,-0.2 -0.816 13.8-172.3 -91.7 116.6 16.3 26.1 23.2 40 40 A V E -a 4 0A 29 -37,-2.5 -35,-2.7 -2,-0.7 2,-0.7 -0.935 8.6-157.6-111.2 108.7 16.5 22.5 22.3 41 41 A N E +a 5 0A 71 -2,-0.7 -35,-0.2 -37,-0.2 -37,-0.1 -0.791 20.1 169.0 -87.1 117.3 18.4 21.9 19.1 42 42 A A + 0 0 15 -37,-3.4 2,-0.3 -2,-0.7 -1,-0.1 -0.133 27.2 141.0-116.1 35.3 17.5 18.6 17.5 43 43 A S - 0 0 17 -32,-0.2 2,-0.4 -37,-0.2 -35,-0.3 -0.627 27.1-174.2 -87.1 136.9 19.2 19.2 14.1 44 44 A I > - 0 0 91 -37,-2.1 3,-1.7 -2,-0.3 -35,-0.4 -0.986 27.1-117.5-134.1 125.8 21.0 16.4 12.3 45 45 A S T 3 S+ 0 0 56 -2,-0.4 -37,-0.0 -37,-0.4 -38,-0.0 -0.302 100.8 28.7 -54.2 138.5 23.1 16.4 9.2 46 46 A G T 3 S+ 0 0 45 1,-0.3 -1,-0.2 0, 0.0 5,-0.1 0.300 86.7 143.8 95.6 -7.4 21.5 14.3 6.4 47 47 A D < - 0 0 19 -3,-1.7 28,-0.4 -40,-0.1 26,-0.3 -0.288 27.4-169.5 -74.8 152.7 17.9 14.7 7.6 48 48 A T > - 0 0 16 27,-0.1 4,-2.7 24,-0.1 5,-0.3 -0.758 41.9 -93.7-129.6 173.7 15.0 14.9 5.2 49 49 A S H > S+ 0 0 0 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.900 128.1 49.0 -59.7 -38.3 11.3 15.8 5.4 50 50 A A H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 111.8 48.9 -66.8 -41.0 10.5 12.1 5.8 51 51 A G H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.903 111.2 48.3 -65.4 -42.7 13.2 11.7 8.5 52 52 A G H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.892 111.6 50.7 -64.5 -39.3 12.0 14.7 10.5 53 53 A L H < S+ 0 0 32 -4,-2.0 3,-0.3 -5,-0.3 -2,-0.2 0.933 109.8 50.3 -63.4 -46.4 8.5 13.5 10.3 54 54 A A H < S+ 0 0 82 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.862 118.8 37.3 -58.3 -38.3 9.5 10.0 11.5 55 55 A R H X S+ 0 0 51 -4,-1.8 4,-1.1 1,-0.1 -1,-0.2 0.542 96.1 82.3 -98.1 -7.6 11.5 11.4 14.5 56 56 A L H X S+ 0 0 0 -4,-1.5 4,-3.1 -3,-0.3 3,-0.3 0.916 81.4 60.8 -65.6 -44.0 9.2 14.3 15.5 57 57 A P H > S+ 0 0 56 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.890 106.0 48.0 -54.6 -41.1 6.6 12.4 17.6 58 58 A A H > S+ 0 0 73 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.866 113.2 49.0 -63.3 -39.8 9.3 11.3 20.1 59 59 A L H X S+ 0 0 32 -4,-1.1 4,-2.8 -3,-0.3 5,-0.5 0.901 111.2 48.7 -66.1 -44.4 10.6 14.8 20.3 60 60 A L H X S+ 0 0 12 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.936 114.1 46.7 -61.9 -45.7 7.2 16.3 20.9 61 61 A A H < S+ 0 0 60 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.931 117.6 42.3 -62.9 -43.9 6.5 13.7 23.6 62 62 A E H < S+ 0 0 157 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.933 129.6 23.0 -70.7 -46.9 9.9 14.2 25.3 63 63 A E H < S- 0 0 55 -4,-2.8 -3,-0.2 -5,-0.1 -61,-0.2 0.677 79.1-151.9 -96.7 -22.8 10.1 18.0 25.2 64 64 A K < - 0 0 124 -4,-2.2 -62,-0.4 -5,-0.5 -4,-0.1 0.940 30.1-153.6 45.0 60.6 6.5 19.1 24.9 65 65 A P - 0 0 1 0, 0.0 -62,-0.2 0, 0.0 3,-0.1 -0.229 28.7-155.1 -71.8 151.1 7.6 22.3 23.1 66 66 A A S S+ 0 0 42 -64,-2.4 37,-2.5 1,-0.3 2,-0.4 0.675 89.6 29.9 -88.2 -23.8 5.7 25.6 23.0 67 67 A L E -bc 3 103A 2 -65,-1.8 -63,-3.1 35,-0.3 2,-0.5 -0.998 65.9-166.1-137.9 132.2 7.5 26.4 19.7 68 68 A V E -bc 4 104A 0 35,-2.8 37,-2.3 -2,-0.4 2,-0.6 -0.970 4.7-163.5-121.2 118.7 8.7 24.2 16.9 69 69 A V E -bc 5 105A 1 -65,-3.0 -63,-3.0 -2,-0.5 2,-0.6 -0.885 11.2-159.4 -96.6 118.2 11.0 25.6 14.3 70 70 A I E +bc 6 106A 2 35,-2.7 37,-3.0 -2,-0.6 2,-0.2 -0.896 20.5 168.5-105.3 122.9 11.2 23.3 11.3 71 71 A E E +b 7 0A 0 -65,-2.4 -63,-0.7 -2,-0.6 2,-0.3 -0.604 35.0 120.9-127.7 70.0 14.2 23.6 8.9 72 72 A L + 0 0 1 35,-0.2 37,-0.1 -2,-0.2 -24,-0.1 -0.844 34.4 63.5-131.0 164.1 13.9 20.6 6.7 73 73 A G > + 0 0 2 -26,-0.3 4,-1.9 -2,-0.3 5,-0.2 0.241 66.2 107.4 105.2 -12.7 13.6 19.8 2.9 74 74 A G H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 87.4 45.5 -60.3 -38.1 16.9 21.3 1.8 75 75 A N H > S+ 0 0 22 -28,-0.4 4,-1.9 2,-0.2 6,-0.2 0.880 105.2 59.7 -73.2 -36.5 18.1 17.7 1.4 76 76 A D H 4>S+ 0 0 0 1,-0.2 5,-2.8 2,-0.2 4,-0.3 0.897 113.7 38.9 -56.0 -41.0 14.9 16.7 -0.4 77 77 A G H ><5S+ 0 0 1 -4,-1.9 3,-1.2 3,-0.2 -2,-0.2 0.908 112.2 53.8 -75.3 -43.3 15.7 19.3 -3.0 78 78 A L H 3<5S+ 0 0 63 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.775 112.6 47.8 -63.9 -24.8 19.4 18.8 -3.2 79 79 A R T 3<5S- 0 0 139 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.500 112.2-118.0 -91.4 -9.4 18.6 15.1 -3.8 80 80 A G T < 5 + 0 0 45 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.862 57.4 159.7 72.5 32.7 16.0 15.7 -6.5 81 81 A M < - 0 0 61 -5,-2.8 -1,-0.1 -6,-0.2 5,-0.0 -0.293 51.9 -72.7 -78.6 174.6 13.3 14.0 -4.5 82 82 A A > - 0 0 53 1,-0.1 4,-1.2 -2,-0.1 3,-0.2 -0.522 30.6-145.9 -77.2 130.2 9.7 14.7 -5.2 83 83 A P H > S+ 0 0 46 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.773 98.1 59.7 -59.1 -29.1 8.3 18.2 -4.3 84 84 A A H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.895 102.0 50.1 -72.4 -39.7 4.9 16.7 -3.5 85 85 A Q H > S+ 0 0 40 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.804 108.0 55.7 -67.2 -29.2 6.3 14.3 -0.8 86 86 A L H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.938 107.5 48.4 -63.4 -47.6 8.0 17.3 0.8 87 87 A Q H X S+ 0 0 41 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.897 113.6 47.6 -61.3 -40.9 4.7 19.1 1.0 88 88 A Q H X S+ 0 0 132 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.952 114.4 44.3 -65.4 -52.1 3.1 16.1 2.6 89 89 A N H X S+ 0 0 16 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.919 116.4 45.0 -59.9 -47.4 5.8 15.4 5.1 90 90 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.922 112.8 51.8 -65.8 -44.0 6.2 19.0 6.2 91 91 A A H X S+ 0 0 4 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.930 111.2 47.4 -54.1 -50.2 2.4 19.5 6.4 92 92 A S H X S+ 0 0 35 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.865 110.7 52.1 -61.9 -40.2 2.1 16.4 8.6 93 93 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.908 111.4 46.7 -59.0 -45.3 5.0 17.6 10.8 94 94 A A H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.863 112.0 51.7 -68.9 -36.0 3.3 21.0 11.3 95 95 A Q H X S+ 0 0 70 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.928 111.2 46.5 -61.0 -47.0 -0.0 19.2 12.0 96 96 A K H X S+ 0 0 80 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.876 113.0 48.6 -69.8 -38.6 1.5 17.0 14.7 97 97 A A H >X>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 4,-0.8 0.935 112.6 47.7 -64.2 -48.2 3.4 19.9 16.3 98 98 A R H ><5S+ 0 0 121 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.875 107.9 58.0 -58.2 -38.2 0.2 22.1 16.4 99 99 A A H 3<5S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.757 103.8 51.9 -63.6 -26.5 -1.6 19.0 17.8 100 100 A E H <<5S- 0 0 47 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.645 127.8 -97.5 -83.1 -16.5 0.8 18.9 20.7 101 101 A G T <<5S+ 0 0 61 -4,-0.8 2,-0.3 -3,-0.8 -3,-0.2 0.428 79.7 131.8 114.0 3.5 0.2 22.6 21.5 102 102 A A < - 0 0 6 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.620 56.0-126.9 -92.5 146.4 3.1 24.2 19.8 103 103 A K E -c 67 0A 82 -37,-2.5 -35,-2.8 -2,-0.3 2,-0.4 -0.713 32.9-138.7 -77.7 141.7 3.2 27.2 17.4 104 104 A V E -c 68 0A 11 -2,-0.3 33,-2.9 31,-0.2 2,-0.5 -0.892 19.8-173.0-113.0 133.6 5.1 26.2 14.2 105 105 A L E -cd 69 137A 0 -37,-2.3 -35,-2.7 -2,-0.4 2,-0.4 -0.986 13.3-153.6-121.6 118.7 7.6 28.3 12.3 106 106 A L E -cd 70 138A 2 31,-2.6 33,-2.7 -2,-0.5 2,-0.6 -0.783 2.8-151.0 -91.8 133.6 8.8 26.9 8.9 107 107 A L E - d 0 139A 1 -37,-3.0 2,-0.3 -2,-0.4 -35,-0.2 -0.923 16.3-155.5-100.8 120.3 12.2 27.9 7.6 108 108 A G - 0 0 0 31,-2.7 34,-2.2 -2,-0.6 35,-0.4 -0.726 5.9-158.0 -97.1 146.0 12.2 27.9 3.8 109 109 A I - 0 0 16 -2,-0.3 2,-0.5 32,-0.2 18,-0.1 -0.958 8.5-149.5-128.7 140.2 15.3 27.4 1.7 110 110 A Q - 0 0 45 -2,-0.4 11,-0.1 13,-0.0 10,-0.1 -0.945 22.9-129.0-108.0 124.7 16.2 28.2 -1.9 111 111 A L - 0 0 20 -2,-0.5 5,-0.1 9,-0.2 47,-0.1 -0.173 46.2 -73.5 -62.0 163.2 18.7 26.0 -3.7 112 112 A P > - 0 0 23 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.258 46.3-107.3 -64.0 151.1 21.7 27.7 -5.4 113 113 A P G > S+ 0 0 97 0, 0.0 3,-2.5 0, 0.0 7,-0.1 0.750 111.8 73.1 -48.8 -36.0 21.0 29.7 -8.7 114 114 A N G 3 S+ 0 0 135 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.585 84.9 67.6 -61.6 -10.2 22.7 27.0 -10.8 115 115 A Y G < S- 0 0 79 -3,-2.2 4,-0.4 1,-0.0 -1,-0.3 0.701 110.0-124.6 -78.6 -18.9 19.7 24.7 -10.2 116 116 A G X> - 0 0 22 -3,-2.5 4,-2.5 -4,-0.3 3,-0.7 0.338 20.7 -84.9 83.7 142.6 17.6 27.2 -12.3 117 117 A P H 3> S+ 0 0 109 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.799 123.2 55.3 -51.2 -41.7 14.4 29.0 -11.3 118 118 A R H 3> S+ 0 0 215 2,-0.2 4,-1.6 1,-0.2 -2,-0.1 0.905 114.9 38.3 -63.9 -40.5 12.0 26.2 -12.2 119 119 A Y H <> S+ 0 0 74 -3,-0.7 4,-1.3 -4,-0.4 5,-0.3 0.969 117.9 49.8 -72.1 -54.3 13.8 23.6 -10.1 120 120 A I H X S+ 0 0 27 -4,-2.5 4,-2.5 1,-0.2 3,-0.5 0.901 114.4 45.1 -46.1 -50.8 14.5 26.1 -7.3 121 121 A E H X S+ 0 0 28 -4,-3.2 4,-2.9 -5,-0.2 5,-0.3 0.825 99.9 68.6 -69.1 -33.1 10.8 27.2 -7.3 122 122 A A H < S+ 0 0 26 -4,-1.6 -1,-0.2 -5,-0.2 4,-0.2 0.872 116.1 26.6 -54.6 -39.7 9.4 23.7 -7.4 123 123 A F H >X S+ 0 0 11 -4,-1.3 3,-1.2 -3,-0.5 4,-0.8 0.852 118.0 59.3 -87.7 -42.6 10.7 23.1 -3.9 124 124 A S H >X S+ 0 0 24 -4,-2.5 4,-0.8 -5,-0.3 3,-0.7 0.865 101.3 55.0 -57.6 -38.5 10.6 26.7 -2.7 125 125 A R H 3X S+ 0 0 161 -4,-2.9 4,-1.7 1,-0.2 -1,-0.3 0.739 94.2 71.0 -69.7 -22.5 6.9 27.1 -3.3 126 126 A V H <> S+ 0 0 11 -3,-1.2 4,-2.8 -5,-0.3 -1,-0.2 0.885 91.3 57.5 -60.8 -41.1 6.2 24.1 -1.1 127 127 A Y H S+ 0 0 11 -4,-2.4 5,-1.3 -5,-0.2 4,-0.8 0.895 112.5 47.6 -59.0 -40.2 2.3 27.4 5.8 132 132 A A H ><5S+ 0 0 78 -4,-2.0 3,-0.5 3,-0.2 -2,-0.2 0.957 115.6 43.6 -62.0 -52.6 -0.9 28.2 4.0 133 133 A Q H 3<5S+ 0 0 108 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 124.8 31.7 -64.6 -42.2 -2.4 24.7 4.6 134 134 A E H 3<5S- 0 0 26 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.326 103.8-120.5-103.1 6.9 -1.4 24.3 8.2 135 135 A K T <<5 + 0 0 105 -4,-0.8 -31,-0.2 -3,-0.5 2,-0.2 0.920 58.6 153.7 54.2 50.4 -1.6 28.0 9.3 136 136 A T < - 0 0 24 -5,-1.3 -31,-0.2 -6,-0.2 2,-0.2 -0.567 48.7-105.3-100.0 167.9 2.1 28.1 10.3 137 137 A A E -d 105 0A 27 -33,-2.9 -31,-2.6 -2,-0.2 2,-0.3 -0.525 42.3-159.5 -81.5 163.7 4.5 31.0 10.5 138 138 A L E -d 106 0A 41 -33,-0.2 -31,-0.2 -2,-0.2 3,-0.1 -0.978 32.5-163.4-154.6 132.1 7.1 31.2 7.7 139 139 A V E > -d 107 0A 7 -33,-2.7 -31,-2.7 -2,-0.3 3,-0.7 -0.890 21.2-171.1-106.8 93.9 10.5 32.6 6.8 140 140 A P T 3 S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.811 79.3 36.5 -60.0 -32.4 10.3 32.0 3.0 141 141 A F T > + 0 0 108 1,-0.2 3,-2.1 30,-0.1 -32,-0.2 -0.591 64.2 161.9-123.3 66.6 14.0 33.0 2.4 142 142 A F T < S+ 0 0 0 -34,-2.2 29,-0.2 -3,-0.7 -33,-0.2 0.825 79.4 50.8 -55.7 -33.2 15.9 31.7 5.4 143 143 A L T >> S+ 0 0 17 -35,-0.4 3,-2.4 -3,-0.1 4,-2.2 0.142 77.4 149.3 -97.4 23.4 19.2 32.0 3.5 144 144 A E T <4 S+ 0 0 37 -3,-2.1 27,-0.1 1,-0.3 70,-0.0 -0.339 76.1 6.0 -56.8 130.0 18.6 35.6 2.4 145 145 A G T 34 S+ 0 0 22 2,-0.2 -1,-0.3 1,-0.1 22,-0.1 0.529 128.1 66.6 73.4 4.8 21.9 37.4 2.0 146 146 A V T X4 S+ 0 0 0 -3,-2.4 3,-1.4 21,-0.1 6,-0.2 0.701 75.2 83.3-115.7 -55.4 23.8 34.1 2.7 147 147 A G T 3< S+ 0 0 39 -4,-2.2 -2,-0.2 1,-0.3 3,-0.1 -0.269 108.7 2.3 -57.0 130.7 23.1 31.8 -0.2 148 148 A G T 3 S+ 0 0 60 9,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.228 101.3 126.1 79.1 -15.1 25.3 32.3 -3.3 149 149 A V <> - 0 0 61 -3,-1.4 4,-1.3 1,-0.1 2,-0.3 -0.515 63.2-120.4 -79.5 141.5 27.2 35.0 -1.5 150 150 A Q T 4 S+ 0 0 193 1,-0.2 4,-0.1 -2,-0.2 -1,-0.1 -0.621 98.3 20.0 -78.0 140.4 31.0 34.8 -1.2 151 151 A G T 4 S+ 0 0 51 2,-0.5 12,-0.4 -2,-0.3 -1,-0.2 -0.095 117.4 69.0 91.6 -33.4 32.3 34.8 2.4 152 152 A M T 4 S+ 0 0 39 -3,-0.3 9,-2.9 -6,-0.2 12,-0.4 0.797 94.1 57.4 -89.2 -31.3 28.9 33.6 3.7 153 153 A M B < S-E 160 0B 25 -4,-1.3 -2,-0.5 7,-0.3 2,-0.1 -0.749 83.0-121.5 -98.0 145.7 28.9 30.1 2.1 154 154 A Q > - 0 0 52 5,-2.0 3,-2.3 -2,-0.3 7,-0.1 -0.350 48.8 -87.2 -71.2 169.5 31.5 27.4 2.7 155 155 A A T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.727 126.2 63.2 -54.9 -30.2 33.2 26.2 -0.5 156 156 A D T 3 S- 0 0 89 3,-0.2 -1,-0.3 1,-0.1 -2,-0.0 0.533 102.5-132.9 -77.0 -4.1 30.6 23.6 -1.3 157 157 A G S < S+ 0 0 30 -3,-2.3 -9,-0.3 2,-0.2 -2,-0.1 0.645 88.4 73.9 65.6 17.0 28.1 26.4 -1.7 158 158 A I S S+ 0 0 39 1,-0.2 -1,-0.1 -11,-0.1 -3,-0.1 0.662 80.0 63.8-122.3 -41.9 25.4 24.7 0.4 159 159 A H S S- 0 0 36 1,-0.0 -5,-2.0 -5,-0.0 -1,-0.2 -0.796 84.6-123.4 -98.9 112.6 26.6 24.9 4.1 160 160 A P B -E 153 0B 5 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.160 24.8-129.0 -54.9 143.6 26.8 28.4 5.5 161 161 A A > - 0 0 21 -9,-2.9 3,-1.3 -15,-0.1 4,-0.4 -0.229 33.3 -89.5 -81.4 179.0 30.2 29.4 6.9 162 162 A L G > S+ 0 0 93 1,-0.2 3,-1.7 -147,-0.2 -10,-0.1 0.886 123.2 62.1 -55.8 -42.6 30.8 31.0 10.3 163 163 A A G 3 S+ 0 0 65 -12,-0.4 4,-0.4 1,-0.3 -1,-0.2 0.694 99.4 57.0 -62.5 -17.9 30.4 34.5 9.0 164 164 A A G <> S+ 0 0 0 -3,-1.3 4,-2.6 -12,-0.4 -1,-0.3 0.626 80.1 88.7 -87.4 -15.9 26.8 33.8 8.0 165 165 A Q H <> S+ 0 0 2 -3,-1.7 4,-2.2 -4,-0.4 -1,-0.2 0.877 86.4 50.1 -59.8 -44.3 25.5 32.7 11.4 166 166 A P H > S+ 0 0 74 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.932 112.1 49.6 -53.9 -45.8 24.5 36.2 12.6 167 167 A R H > S+ 0 0 20 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.896 106.2 54.5 -64.9 -44.8 22.6 36.7 9.3 168 168 A L H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.946 111.6 46.3 -47.7 -50.1 20.8 33.4 9.7 169 169 A L H >X S+ 0 0 7 -4,-2.2 4,-2.7 1,-0.2 3,-0.8 0.915 109.5 53.8 -62.6 -44.0 19.7 34.6 13.1 170 170 A E H 3< S+ 0 0 11 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 106.0 55.1 -52.2 -40.4 18.7 38.0 11.7 171 171 A N H 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.749 116.0 34.8 -71.4 -22.3 16.5 36.1 9.2 172 172 A V H XX S+ 0 0 1 -4,-1.0 4,-2.2 -3,-0.8 3,-1.1 0.846 101.0 73.4 -96.3 -41.6 14.5 34.2 11.8 173 173 A W H 3X S+ 0 0 6 -4,-2.7 4,-3.8 1,-0.3 -2,-0.1 0.829 93.5 51.7 -48.5 -51.9 14.2 36.6 14.7 174 174 A P H 34 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.847 116.6 40.4 -55.0 -39.1 11.7 39.1 13.2 175 175 A T H <4 S+ 0 0 48 -3,-1.1 4,-0.2 -4,-0.2 -2,-0.2 0.779 120.5 45.4 -83.1 -27.8 9.3 36.3 12.3 176 176 A L H >X S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.1 4,-0.6 0.899 97.1 72.2 -77.1 -45.7 10.0 34.4 15.6 177 177 A K G >< S+ 0 0 48 -4,-3.8 3,-1.8 1,-0.3 -2,-0.1 0.825 93.1 53.1 -42.6 -50.8 9.7 37.3 17.9 178 178 A P G 34 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.726 103.5 59.8 -63.6 -19.9 5.9 37.8 17.7 179 179 A L G <4 0 0 51 -3,-2.3 -2,-0.2 -4,-0.2 -76,-0.1 0.661 360.0 360.0 -79.3 -16.5 5.5 34.1 18.6 180 180 A L << 0 0 44 -3,-1.8 -1,-0.2 -4,-0.6 -3,-0.1 0.763 360.0 360.0 -87.7 360.0 7.3 34.6 21.9 181 !* 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 0.0 182 1 B Q 0 0 100 0, 0.0 37,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 21.5 14.1 54.7 -6.5 183 2 B T E -f 219 0C 11 62,-0.3 64,-2.2 35,-0.2 65,-1.7 -0.848 360.0-159.9 -95.2 130.1 15.5 57.1 -4.0 184 3 B L E -fg 220 248C 0 35,-3.5 37,-3.0 -2,-0.5 2,-0.5 -0.931 13.1-162.9-107.1 110.8 15.5 56.1 -0.4 185 4 B L E -fg 221 249C 0 63,-2.9 65,-2.7 -2,-0.6 2,-0.5 -0.828 6.0-158.9-103.5 127.1 15.8 59.1 1.8 186 5 B V E -fg 222 250C 0 35,-2.6 37,-2.9 -2,-0.5 2,-0.6 -0.908 6.5-173.9-105.8 124.6 16.9 58.9 5.4 187 6 B V E + g 0 251C 0 63,-3.1 65,-2.4 -2,-0.5 2,-0.2 -0.837 34.3 131.0-117.7 89.8 15.9 61.8 7.7 188 7 B G E - g 0 252C 0 -2,-0.6 37,-2.0 63,-0.2 65,-0.2 -0.598 47.4-118.4-128.3-172.9 17.6 61.2 11.0 189 8 B D >> - 0 0 2 63,-0.9 4,-1.3 35,-0.3 3,-0.6 -0.079 67.5 -45.7-106.5-150.9 19.7 62.6 13.8 190 9 B S H 3>>S+ 0 0 6 35,-0.3 5,-2.0 1,-0.2 4,-1.0 0.809 129.9 62.9 -51.3 -36.6 23.1 61.7 15.3 191 10 B I H 345S+ 0 0 13 1,-0.2 3,-0.4 2,-0.2 12,-0.3 0.931 113.7 31.9 -63.2 -43.9 22.2 58.0 15.4 192 11 B S H <45S+ 0 0 3 -3,-0.6 -1,-0.2 60,-0.2 12,-0.2 0.548 113.8 62.5 -87.5 -10.3 21.8 57.8 11.6 193 12 B A H <5S- 0 0 23 -4,-1.3 -2,-0.2 30,-0.1 -1,-0.2 0.539 109.4-124.3 -88.3 -9.4 24.5 60.4 11.0 194 13 B A T ><5 - 0 0 7 -4,-1.0 3,-1.8 -3,-0.4 -3,-0.2 0.865 31.6-161.5 71.4 41.6 27.0 58.1 12.7 195 14 B L T 3 - 0 0 91 -2,-0.3 3,-1.7 1,-0.2 4,-0.3 -0.600 41.4-142.6 -67.3 121.6 33.5 56.7 10.4 199 18 B T G > S+ 0 0 96 -2,-0.4 3,-0.9 1,-0.3 6,-0.4 0.727 95.9 67.9 -64.5 -20.4 30.3 57.3 8.4 200 19 B S G 3 S+ 0 0 68 1,-0.3 -1,-0.3 5,-0.1 -2,-0.0 0.658 103.4 44.9 -73.9 -14.6 31.2 54.6 5.9 201 20 B Q G < S+ 0 0 93 -3,-1.7 -1,-0.3 -7,-0.1 -2,-0.2 0.370 91.7 115.1-103.2 -2.3 30.7 52.0 8.6 202 21 B G S X> S- 0 0 2 -3,-0.9 4,-1.8 -4,-0.3 3,-0.7 -0.298 83.3-103.4 -73.6 158.4 27.5 53.6 9.8 203 22 B W H 3> S+ 0 0 3 -12,-0.3 4,-1.7 1,-0.3 -1,-0.1 0.765 118.5 54.8 -56.4 -30.8 24.2 51.7 9.5 204 23 B V H 3> S+ 0 0 9 -12,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.900 107.9 48.5 -71.7 -39.1 23.0 53.8 6.5 205 24 B A H <> S+ 0 0 39 -3,-0.7 4,-1.9 -6,-0.4 -1,-0.2 0.844 111.1 52.7 -65.7 -32.5 26.1 53.0 4.5 206 25 B L H X S+ 0 0 45 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.828 105.4 54.1 -70.3 -33.4 25.5 49.4 5.4 207 26 B L H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.932 107.4 50.9 -64.3 -45.4 21.9 49.6 4.1 208 27 B Q H X S+ 0 0 63 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.922 109.6 49.4 -59.0 -47.5 23.2 50.8 0.8 209 28 B K H X S+ 0 0 86 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.924 111.3 49.7 -59.0 -43.8 25.7 47.9 0.5 210 29 B R H X S+ 0 0 30 -4,-2.1 4,-3.2 2,-0.2 6,-0.2 0.920 109.2 51.6 -61.7 -43.6 22.9 45.4 1.4 211 30 B L H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 -1,-0.2 0.928 113.5 44.6 -57.0 -49.3 20.6 46.8 -1.2 212 31 B A H ><5S+ 0 0 59 -4,-2.3 3,-1.9 3,-0.2 -2,-0.2 0.964 114.5 49.6 -58.0 -52.8 23.3 46.6 -3.9 213 32 B D H 3<5S+ 0 0 120 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.900 109.8 49.8 -54.6 -47.4 24.2 43.1 -2.8 214 33 B E T 3<5S- 0 0 46 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.211 121.3-105.1 -84.1 15.6 20.6 41.8 -2.8 215 34 B G T < 5S+ 0 0 68 -3,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.656 70.5 145.0 77.6 16.8 20.1 43.1 -6.3 216 35 B Y < - 0 0 71 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.2 -0.586 44.5-141.5 -83.8 152.4 17.9 46.1 -5.4 217 36 B D + 0 0 131 -2,-0.2 2,-0.4 2,-0.1 -5,-0.1 -0.692 47.4 134.7-115.5 75.3 18.2 49.4 -7.3 218 37 B Y - 0 0 45 -2,-0.5 2,-0.6 -10,-0.1 -35,-0.2 -0.983 47.6-142.0-124.7 135.7 17.8 52.2 -4.8 219 38 B R E -f 183 0C 142 -37,-2.7 -35,-3.5 -2,-0.4 2,-0.6 -0.868 23.7-145.5 -88.7 120.0 19.9 55.4 -4.4 220 39 B V E -f 184 0C 24 -2,-0.6 2,-0.6 -37,-0.2 -35,-0.2 -0.813 15.0-171.2 -90.6 120.3 20.3 55.9 -0.7 221 40 B V E -f 185 0C 28 -37,-3.0 -35,-2.6 -2,-0.6 2,-0.6 -0.926 5.4-161.7-113.1 106.0 20.3 59.6 0.3 222 41 B N E +f 186 0C 71 -2,-0.6 -35,-0.1 -37,-0.2 -37,-0.1 -0.777 19.1 167.2 -84.7 119.5 21.3 60.2 4.0 223 42 B A + 0 0 16 -37,-2.9 2,-0.1 -2,-0.6 -1,-0.1 0.020 26.9 142.8-116.9 24.8 20.2 63.6 5.2 224 43 B S - 0 0 17 -32,-0.2 2,-0.4 -37,-0.1 -35,-0.3 -0.447 26.8-173.0 -75.1 140.8 20.8 62.9 8.9 225 44 B I > - 0 0 94 -37,-2.0 3,-1.7 -2,-0.1 -35,-0.3 -0.991 26.7-115.7-138.7 125.9 22.2 65.7 11.1 226 45 B S T 3 S+ 0 0 52 -2,-0.4 3,-0.1 -37,-0.3 -37,-0.0 -0.265 102.3 27.6 -58.7 144.5 23.2 65.5 14.7 227 46 B G T 3 S+ 0 0 46 1,-0.3 -1,-0.3 0, 0.0 5,-0.1 0.401 88.4 144.0 83.4 -3.0 21.1 67.7 17.0 228 47 B D < - 0 0 16 -3,-1.7 28,-0.4 -40,-0.1 26,-0.3 -0.356 27.5-170.2 -74.1 151.4 18.1 67.4 14.7 229 48 B T > - 0 0 18 24,-0.1 4,-3.0 27,-0.1 5,-0.2 -0.757 40.5 -93.4-132.4 177.4 14.6 67.1 16.2 230 49 B S H > S+ 0 0 0 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.901 127.7 46.2 -64.1 -39.1 11.0 66.4 15.1 231 50 B A H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 114.6 47.0 -66.8 -42.1 10.4 70.1 14.6 232 51 B G H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.887 112.6 49.7 -66.2 -38.1 13.7 70.6 12.8 233 52 B G H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.907 111.0 49.3 -67.2 -41.4 13.1 67.5 10.6 234 53 B L H < S+ 0 0 35 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.903 110.3 52.4 -61.8 -42.5 9.6 68.8 9.8 235 54 B A H < S+ 0 0 81 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.851 117.9 34.7 -62.2 -39.5 11.0 72.2 8.9 236 55 B R H X S+ 0 0 52 -4,-1.7 4,-1.2 1,-0.1 -1,-0.2 0.543 96.4 84.8 -98.2 -10.6 13.7 70.9 6.5 237 56 B L H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 3,-0.4 0.897 80.9 60.3 -59.8 -45.8 11.7 67.9 5.0 238 57 B P H > S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.889 106.1 48.2 -51.4 -45.3 9.8 69.9 2.2 239 58 B A H > S+ 0 0 71 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.809 113.6 47.7 -64.3 -36.5 13.1 71.0 0.6 240 59 B L H X S+ 0 0 32 -4,-1.2 4,-2.5 -3,-0.4 5,-0.4 0.888 110.7 51.5 -70.3 -41.6 14.4 67.4 0.7 241 60 B L H X S+ 0 0 10 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.918 113.3 44.1 -63.2 -44.3 11.2 66.0 -0.7 242 61 B A H < S+ 0 0 74 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.914 117.4 44.6 -68.6 -42.1 11.2 68.4 -3.7 243 62 B E H < S+ 0 0 154 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.922 126.9 26.7 -66.9 -47.0 14.9 68.0 -4.4 244 63 B E H < S- 0 0 52 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.675 80.3-153.1 -95.1 -22.3 15.1 64.2 -4.1 245 64 B K < - 0 0 87 -4,-2.0 -62,-0.3 -5,-0.4 -4,-0.1 0.920 28.3-155.8 42.8 61.0 11.6 63.0 -5.0 246 65 B P - 0 0 2 0, 0.0 -62,-0.2 0, 0.0 3,-0.1 -0.229 28.6-154.4 -70.0 151.2 12.0 59.9 -2.9 247 66 B A S S+ 0 0 38 -64,-2.2 37,-2.3 1,-0.3 2,-0.3 0.676 89.9 24.3 -88.1 -24.5 10.1 56.6 -3.4 248 67 B L E -gh 184 284C 2 -65,-1.7 -63,-2.9 35,-0.3 2,-0.5 -0.999 66.6-163.6-143.3 139.0 10.7 55.8 0.3 249 68 B V E -gh 185 285C 0 35,-2.3 37,-2.6 -2,-0.3 2,-0.6 -0.989 4.6-160.7-126.5 119.0 11.5 58.0 3.3 250 69 B V E -gh 186 286C 0 -65,-2.7 -63,-3.1 -2,-0.5 2,-0.6 -0.909 12.1-158.8 -96.6 122.4 12.9 56.6 6.6 251 70 B I E +gh 187 287C 1 35,-2.6 37,-2.9 -2,-0.6 2,-0.3 -0.894 19.0 171.1-109.4 118.6 12.3 59.0 9.5 252 71 B E E +g 188 0C 3 -65,-2.4 -63,-0.9 -2,-0.6 2,-0.3 -0.635 34.6 122.3-125.3 69.4 14.5 58.6 12.6 253 72 B L + 0 0 2 -2,-0.3 37,-0.1 35,-0.2 -24,-0.1 -0.899 35.1 64.1-130.8 159.9 13.7 61.7 14.7 254 73 B G > + 0 0 3 -2,-0.3 4,-2.7 -26,-0.3 5,-0.2 0.116 67.5 101.8 115.8 -22.2 12.4 62.2 18.3 255 74 B G H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 89.2 44.8 -63.1 -40.1 15.3 60.8 20.3 256 75 B N H > S+ 0 0 25 -28,-0.4 4,-2.1 2,-0.2 6,-0.2 0.888 108.8 56.0 -68.6 -41.7 16.5 64.3 21.0 257 76 B D H 4>S+ 0 0 0 1,-0.2 5,-3.3 2,-0.2 -2,-0.2 0.939 115.2 40.4 -53.3 -46.6 12.9 65.5 21.8 258 77 B G H ><5S+ 0 0 1 -4,-2.7 3,-1.7 3,-0.2 -2,-0.2 0.929 112.1 52.1 -70.2 -47.6 12.8 62.7 24.4 259 78 B L H 3<5S+ 0 0 49 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.840 112.2 48.2 -60.6 -33.3 16.3 63.0 25.8 260 79 B R T 3<5S- 0 0 140 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.406 116.5-115.1 -85.0 -3.1 15.8 66.8 26.4 261 80 B G T < 5 + 0 0 58 -3,-1.7 -3,-0.2 -4,-0.1 -2,-0.1 0.827 56.6 164.0 71.4 32.1 12.4 66.2 28.0 262 81 B M < - 0 0 60 -5,-3.3 -1,-0.1 -6,-0.2 -5,-0.0 -0.208 45.9 -75.4 -73.2 174.2 10.3 67.9 25.3 263 82 B A > - 0 0 49 1,-0.1 4,-1.4 4,-0.0 -1,-0.1 -0.512 26.3-149.4 -75.3 133.5 6.6 67.5 25.0 264 83 B P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.872 95.9 62.7 -65.7 -38.6 5.2 64.3 23.4 265 84 B A H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.955 106.4 43.2 -50.1 -56.6 2.2 66.2 22.0 266 85 B Q H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.853 111.0 55.8 -59.1 -39.7 4.4 68.3 19.8 267 86 B L H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.941 108.8 47.5 -57.0 -48.9 6.5 65.3 18.8 268 87 B Q H X S+ 0 0 64 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.930 111.8 49.1 -61.4 -48.4 3.5 63.4 17.5 269 88 B Q H X S+ 0 0 139 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.914 114.5 46.5 -54.5 -46.2 2.2 66.4 15.6 270 89 B N H X S+ 0 0 16 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.898 114.2 44.6 -69.6 -43.5 5.6 66.9 14.0 271 90 B L H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.903 113.4 52.0 -67.2 -39.5 6.2 63.3 13.0 272 91 B A H X S+ 0 0 5 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.891 110.6 47.9 -63.3 -39.4 2.7 62.9 11.7 273 92 B S H X S+ 0 0 35 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.888 110.6 51.1 -68.3 -40.1 3.1 66.0 9.5 274 93 B M H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.941 112.3 47.9 -58.1 -48.2 6.5 64.7 8.3 275 94 B A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.922 111.5 49.9 -58.6 -46.8 4.7 61.5 7.4 276 95 B Q H X S+ 0 0 78 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.893 111.7 47.8 -59.3 -42.1 1.8 63.3 5.7 277 96 B K H X S+ 0 0 77 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.883 110.7 50.8 -71.5 -37.2 4.1 65.4 3.6 278 97 B A H X>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.8 0.904 111.9 47.1 -65.3 -41.5 6.2 62.4 2.5 279 98 B R H <5S+ 0 0 113 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.862 107.7 57.1 -66.5 -37.8 3.1 60.5 1.5 280 99 B A H <5S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.808 104.8 52.2 -62.7 -30.1 1.9 63.5 -0.4 281 100 B E H <5S- 0 0 51 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.709 127.8-100.4 -80.0 -21.0 5.1 63.5 -2.4 282 101 B G T <5S+ 0 0 56 -4,-0.8 2,-0.3 -3,-0.5 -3,-0.2 0.491 77.3 132.7 116.9 9.8 4.5 59.8 -3.3 283 102 B A < - 0 0 6 -5,-2.4 -1,-0.3 -6,-0.1 -35,-0.3 -0.651 55.4-127.0 -94.5 145.8 6.8 58.1 -0.8 284 103 B K E -h 248 0C 80 -37,-2.3 -35,-2.3 -2,-0.3 2,-0.4 -0.660 36.1-132.5 -77.3 146.9 6.1 55.1 1.4 285 104 B V E -h 249 0C 11 -2,-0.3 33,-2.7 31,-0.3 2,-0.4 -0.890 23.2-173.7-115.0 135.6 7.1 56.0 5.0 286 105 B L E -hi 250 318C 0 -37,-2.6 -35,-2.6 -2,-0.4 2,-0.4 -0.946 9.7-161.9-124.3 111.6 9.1 54.1 7.6 287 106 B L E -hi 251 319C 0 31,-2.1 33,-2.5 -2,-0.4 2,-0.6 -0.759 3.1-157.4 -88.1 129.9 9.4 55.5 11.2 288 107 B L E - i 0 320C 1 -37,-2.9 2,-0.3 -2,-0.4 -35,-0.2 -0.943 13.2-166.3-105.6 121.3 12.2 54.3 13.4 289 108 B G - 0 0 0 31,-2.6 34,-2.7 -2,-0.6 2,-0.4 -0.788 6.3-156.0-104.5 149.4 11.4 54.7 17.1 290 109 B I - 0 0 25 -2,-0.3 2,-0.3 32,-0.2 32,-0.1 -0.985 17.7-127.7-124.4 131.8 13.8 54.5 20.0 291 110 B Q - 0 0 50 -2,-0.4 10,-0.1 1,-0.1 11,-0.1 -0.596 32.4-113.0 -75.4 134.8 12.9 53.7 23.6 292 111 B L - 0 0 13 -2,-0.3 -1,-0.1 9,-0.1 9,-0.1 -0.284 46.7 -82.8 -59.6 152.8 14.2 56.2 26.1 293 112 B P > - 0 0 30 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.195 39.9-112.6 -58.9 153.8 16.8 54.8 28.5 294 113 B P G > S+ 0 0 107 0, 0.0 3,-3.4 0, 0.0 7,-0.1 0.877 112.6 68.2 -57.5 -42.6 15.5 52.9 31.5 295 114 B N G 3 S+ 0 0 138 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.526 87.2 70.2 -60.1 -3.8 16.7 55.6 34.0 296 115 B Y G < S- 0 0 88 -3,-1.9 4,-0.5 1,-0.1 -1,-0.3 0.467 116.2-111.6 -82.9 -4.9 14.0 57.8 32.4 297 116 B G X> - 0 0 27 -3,-3.4 4,-1.6 1,-0.1 3,-0.6 0.392 21.1 -96.2 77.3 138.6 11.5 55.6 34.1 298 117 B P H 3> S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.776 117.8 61.9 -53.3 -32.8 9.1 53.2 32.2 299 118 B R H 3> S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 -2,-0.1 0.848 104.9 41.2 -71.8 -39.6 6.3 55.8 32.3 300 119 B Y H <> S+ 0 0 39 -3,-0.6 4,-2.1 -4,-0.5 5,-0.3 0.900 113.8 56.6 -72.8 -40.3 7.9 58.7 30.3 301 120 B I H X S+ 0 0 25 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.933 106.2 49.6 -50.4 -49.4 9.3 56.0 28.0 302 121 B E H X S+ 0 0 129 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.861 105.7 57.8 -62.1 -38.0 5.7 54.8 27.4 303 122 B A H X S+ 0 0 43 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.963 114.5 35.5 -55.9 -55.9 4.5 58.4 26.7 304 123 B F H X S+ 0 0 20 -4,-2.1 4,-1.2 1,-0.2 3,-0.4 0.867 115.6 56.7 -66.3 -38.2 7.0 58.8 23.8 305 124 B S H X S+ 0 0 42 -4,-2.8 4,-1.4 -5,-0.3 3,-0.2 0.897 103.0 53.5 -63.2 -41.5 6.7 55.2 22.7 306 125 B R H X S+ 0 0 64 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.779 100.2 65.8 -59.9 -27.3 2.9 55.5 22.2 307 126 B V H X S+ 0 0 4 -4,-0.7 4,-2.5 -3,-0.4 -1,-0.2 0.953 99.9 47.4 -62.6 -49.4 3.6 58.5 20.0 308 127 B Y H X S+ 0 0 13 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.898 114.5 47.1 -60.6 -41.1 5.4 56.5 17.3 309 128 B G H X S+ 0 0 31 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.894 111.5 50.4 -67.5 -41.2 2.6 53.9 17.3 310 129 B A H X S+ 0 0 39 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.881 111.9 48.2 -63.8 -39.8 -0.1 56.5 17.1 311 130 B V H X S+ 0 0 0 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.961 111.4 48.5 -64.0 -52.9 1.6 58.3 14.2 312 131 B A H X>S+ 0 0 10 -4,-2.3 5,-1.5 1,-0.2 4,-0.7 0.892 114.7 46.2 -55.6 -42.1 2.1 55.1 12.2 313 132 B A H <5S+ 0 0 73 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.903 117.9 43.2 -68.0 -40.1 -1.5 54.1 12.8 314 133 B Q H <5S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.901 124.4 32.0 -71.5 -45.6 -2.8 57.6 11.9 315 134 B E H <5S- 0 0 25 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.293 107.3-119.6-100.6 8.6 -0.6 58.3 8.8 316 135 B K T <5 + 0 0 177 -4,-0.7 -31,-0.3 -5,-0.3 2,-0.2 0.895 58.8 152.2 57.7 48.8 -0.5 54.7 7.7 317 136 B T < - 0 0 19 -5,-1.5 -31,-0.2 -6,-0.2 -1,-0.2 -0.641 49.3-107.0-103.7 161.9 3.3 54.3 8.0 318 137 B A E -i 286 0C 24 -33,-2.7 -31,-2.1 -2,-0.2 2,-0.3 -0.469 40.4-155.5 -74.4 160.5 5.5 51.3 8.6 319 138 B L E -i 287 0C 44 -33,-0.2 -31,-0.2 -2,-0.1 3,-0.1 -0.966 28.3-165.9-149.7 129.1 7.1 51.2 12.1 320 139 B V E > -i 288 0C 8 -33,-2.5 -31,-2.6 -2,-0.3 3,-0.6 -0.916 17.6-173.0-104.2 98.8 10.2 49.8 13.8 321 140 B P T 3 S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.785 77.2 39.7 -67.8 -26.5 9.2 50.3 17.4 322 141 B F T > + 0 0 91 1,-0.1 3,-2.1 30,-0.1 -32,-0.2 -0.553 61.4 160.7-125.3 66.9 12.6 49.2 18.9 323 142 B F T < S+ 0 0 0 -34,-2.7 29,-0.2 -3,-0.6 -33,-0.2 0.824 81.6 45.1 -55.6 -34.8 15.3 50.6 16.6 324 143 B L T >> S+ 0 0 23 -35,-0.3 3,-2.9 -3,-0.1 4,-2.4 0.201 76.8 148.0-100.7 17.1 17.9 50.2 19.3 325 144 B E T <4 S+ 0 0 31 -3,-2.1 27,-0.1 1,-0.3 -292,-0.0 -0.289 79.8 7.7 -44.6 124.6 16.9 46.7 20.4 326 145 B G T 34 S+ 0 0 22 2,-0.2 -1,-0.3 1,-0.1 22,-0.1 0.519 127.7 64.5 76.7 3.4 20.1 45.0 21.5 327 146 B V T X4 S+ 0 0 0 -3,-2.9 3,-2.1 1,-0.1 6,-0.2 0.648 78.3 82.3-117.4 -54.0 22.1 48.2 21.3 328 147 B G T 3< S+ 0 0 40 -4,-2.4 -2,-0.2 1,-0.3 3,-0.1 -0.326 112.4 0.9 -60.1 128.1 20.6 50.5 23.9 329 148 B G T 3 S+ 0 0 78 9,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.442 99.3 131.4 73.9 1.3 22.0 49.7 27.3 330 149 B V X> - 0 0 59 -3,-2.1 3,-2.5 1,-0.0 4,-0.7 -0.778 62.0-119.8 -94.9 115.5 24.2 46.9 26.0 331 150 B Q T 34 S+ 0 0 103 -2,-0.6 4,-0.1 1,-0.3 -1,-0.0 -0.228 99.4 17.5 -52.6 129.9 27.9 47.0 27.1 332 151 B G T 34 S+ 0 0 59 2,-0.4 12,-0.3 3,-0.1 -1,-0.3 0.134 112.0 78.8 93.1 -19.0 30.2 47.4 24.1 333 152 B M T <4 S+ 0 0 32 -3,-2.5 9,-2.8 -6,-0.2 2,-0.3 0.599 88.7 59.2 -94.7 -15.4 27.4 48.6 21.8 334 153 B M B < S-J 341 0D 30 -4,-0.7 -2,-0.4 7,-0.3 9,-0.1 -0.874 81.6-119.8-116.5 146.7 27.3 52.2 23.2 335 154 B Q > - 0 0 52 5,-2.3 3,-2.1 -2,-0.3 7,-0.1 -0.221 50.4 -86.5 -69.6 175.0 30.0 54.9 23.3 336 155 B A T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.782 126.0 64.4 -60.9 -27.9 31.0 56.1 26.7 337 156 B D T 3 S- 0 0 88 3,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.510 102.0-133.1 -77.0 -4.7 28.2 58.7 26.9 338 157 B G S < S+ 0 0 41 -3,-2.1 -9,-0.3 2,-0.2 -2,-0.1 0.520 87.5 72.2 71.7 8.5 25.7 55.8 26.8 339 158 B I S S+ 0 0 50 1,-0.2 -1,-0.1 -11,-0.1 -3,-0.1 0.681 78.6 67.1-121.4 -39.3 23.5 57.4 24.1 340 159 B H S S- 0 0 35 1,-0.0 -5,-2.3 -146,-0.0 -2,-0.2 -0.800 85.4-119.2 -96.1 117.9 25.3 57.2 20.7 341 160 B P B -J 334 0D 5 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.135 28.2-126.2 -53.9 149.0 25.8 53.7 19.4 342 161 B A > - 0 0 18 -9,-2.8 3,-1.2 -7,-0.1 4,-0.4 -0.236 30.7 -93.3 -88.3 179.8 29.4 52.5 18.9 343 162 B L G > S+ 0 0 93 1,-0.2 3,-1.4 2,-0.2 -10,-0.1 0.876 123.8 62.1 -60.1 -36.8 30.9 51.1 15.7 344 163 B A G 3 S+ 0 0 65 -12,-0.3 4,-0.3 1,-0.3 -1,-0.2 0.690 98.5 56.6 -66.7 -18.5 30.2 47.6 16.9 345 164 B A G <> S+ 0 0 0 -3,-1.2 4,-2.4 -12,-0.3 -1,-0.3 0.608 80.0 89.4 -88.5 -13.8 26.4 48.3 16.9 346 165 B Q H <> S+ 0 0 3 -3,-1.4 4,-2.0 -4,-0.4 5,-0.2 0.876 84.7 51.0 -58.8 -46.6 26.0 49.4 13.3 347 166 B P H > S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.913 112.2 49.6 -55.1 -42.3 25.3 45.9 11.8 348 167 B R H > S+ 0 0 29 -4,-0.3 4,-2.7 -3,-0.2 -2,-0.2 0.917 104.4 56.5 -64.8 -48.3 22.7 45.4 14.5 349 168 B L H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.919 111.5 45.2 -43.6 -49.2 21.0 48.8 13.7 350 169 B L H >X S+ 0 0 8 -4,-2.0 4,-2.9 1,-0.2 3,-1.2 0.941 108.8 55.0 -64.2 -47.8 20.6 47.6 10.1 351 170 B E H 3< S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.890 106.1 54.4 -48.1 -42.1 19.4 44.2 11.2 352 171 B N H 3< S+ 0 0 17 -4,-2.7 -1,-0.3 -29,-0.2 -2,-0.2 0.732 117.2 34.6 -68.1 -24.3 16.7 46.0 13.2 353 172 B V H XX S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.9 3,-1.4 0.850 100.3 72.9 -95.6 -46.3 15.5 48.0 10.2 354 173 B W H 3X S+ 0 0 4 -4,-2.9 4,-3.1 1,-0.3 -2,-0.1 0.831 92.2 54.2 -47.3 -49.0 15.8 45.7 7.2 355 174 B P H 34 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.828 115.2 40.7 -60.1 -31.6 13.0 43.2 7.9 356 175 B T H <4 S+ 0 0 48 -3,-1.4 4,-0.3 -4,-0.2 -2,-0.2 0.797 117.1 50.0 -83.2 -31.0 10.4 46.1 8.1 357 176 B L H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 4,-0.4 0.907 96.2 71.4 -68.1 -44.2 12.0 47.9 5.2 358 177 B K G >< S+ 0 0 34 -4,-3.1 3,-2.0 1,-0.3 -1,-0.2 0.799 89.7 55.6 -51.0 -46.1 12.1 44.9 2.8 359 178 B P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.748 105.3 56.1 -62.3 -20.8 8.3 44.6 2.0 360 179 B L G < 0 0 56 -3,-2.0 -2,-0.2 -4,-0.3 -76,-0.1 0.511 360.0 360.0 -84.1 -8.2 8.3 48.2 0.9 361 180 B L < 0 0 44 -3,-2.0 -1,-0.2 -4,-0.4 -3,-0.1 0.729 360.0 360.0 -95.5 360.0 11.1 47.6 -1.6