==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-AUG-09 3IJ6 . COMPND 2 MOLECULE: UNCHARACTERIZED METAL-DEPENDENT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS ACIDOPHILUS; . AUTHOR Y.PATSKOVSKY,R.TORO,M.DICKEY,S.CHANG,J.M.SAUDER,F.M.RAUSHEL, . 1210 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 854 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 4 0.3 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 . 74 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 431 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.6 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 12 0 9 7 5 9 4 4 0 2 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 8 6 10 0 4 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 . 0 4 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 . 4 0 0 0 0 0 2 2 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 2 A L 0 0 191 0, 0.0 2,-0.2 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 -30.8 42.3 38.2 15.1 2 3 A T - 0 0 52 51,-0.1 2,-0.4 1,-0.0 51,-0.2 -0.386 360.0-163.2 -80.9 129.0 38.6 38.9 14.3 3 4 A K E -a 53 0A 16 49,-3.5 51,-2.7 -2,-0.2 2,-0.6 -0.828 11.7-145.2 -98.3 141.4 36.3 36.3 12.7 4 5 A I E -a 54 0A 1 289,-3.5 2,-1.0 -2,-0.4 51,-0.2 -0.947 3.0-156.4-112.2 111.1 33.1 37.4 11.1 5 6 A D E -a 55 0A 0 49,-3.0 51,-3.0 -2,-0.6 3,-0.3 -0.785 12.2-172.0 -82.2 99.6 30.2 35.0 11.5 6 7 A A E + 0 0 0 252,-2.2 2,-0.2 -2,-1.0 253,-0.2 0.509 69.1 45.4 -79.8 -8.5 28.2 36.0 8.5 7 8 A Y E + 0 0 0 251,-0.1 254,-2.9 2,-0.0 255,-0.5 -0.647 68.4 133.7-141.1 82.7 25.0 33.9 9.3 8 9 A A E -ab 57 262A 0 48,-1.8 50,-1.9 -3,-0.3 2,-0.3 -0.895 42.4-131.5-123.1 155.9 23.8 34.0 12.9 9 10 A H E -a 58 0A 1 253,-3.6 2,-0.3 -2,-0.3 50,-0.2 -0.730 21.2-179.5-116.5 156.8 20.2 34.5 13.9 10 11 A I E -a 59 0A 7 48,-1.9 50,-1.1 -2,-0.3 29,-0.2 -0.995 24.2-153.5-153.0 147.9 18.4 36.7 16.5 11 12 A L - 0 0 1 27,-3.1 30,-0.1 -2,-0.3 48,-0.1 -0.859 30.1-141.5-121.2 92.9 14.9 37.4 17.8 12 13 A P >> - 0 0 6 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.340 16.2-124.7 -57.9 129.7 15.1 41.1 19.0 13 14 A A H 3> S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.828 105.8 43.8 -46.5 -52.7 13.0 41.4 22.3 14 15 A K H 3> S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.828 114.9 50.1 -65.7 -36.1 10.6 44.2 21.2 15 16 A Y H <> S+ 0 0 1 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.895 109.8 50.3 -67.1 -44.0 10.0 42.6 17.8 16 17 A Y H X S+ 0 0 20 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.885 109.9 50.1 -63.9 -40.6 9.2 39.3 19.3 17 18 A Q H X S+ 0 0 108 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.845 108.9 52.6 -66.9 -35.7 6.7 40.8 21.8 18 19 A K H X S+ 0 0 83 -4,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.849 110.0 49.2 -63.2 -36.8 5.1 42.6 18.9 19 20 A M H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 3,-0.2 0.794 103.7 59.3 -75.9 -29.0 4.7 39.3 17.1 20 21 A L H < S+ 0 0 41 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.835 101.9 54.0 -65.8 -35.8 3.2 37.6 20.2 21 22 A S H < S+ 0 0 110 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.729 111.8 46.4 -67.9 -25.6 0.4 40.1 20.1 22 23 A V H < S+ 0 0 52 -4,-0.6 -2,-0.2 1,-0.3 -1,-0.2 0.907 132.3 10.9 -80.6 -50.1 -0.2 39.1 16.5 23 24 A E >< - 0 0 60 -4,-2.7 3,-1.1 1,-0.1 -1,-0.3 -0.906 54.1-174.6-137.0 109.7 -0.0 35.3 17.1 24 25 A P T 3 S+ 0 0 89 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.662 84.4 72.7 -70.5 -18.0 -0.0 33.8 20.6 25 26 A N T 3> + 0 0 84 1,-0.2 4,-2.8 2,-0.1 5,-0.3 0.321 68.3 103.0 -77.7 6.3 0.6 30.4 19.0 26 27 A I H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.904 79.4 43.6 -59.9 -49.5 4.2 31.4 18.2 27 28 A P H 4 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 6,-0.2 0.813 116.8 51.3 -67.5 -25.1 6.0 29.4 20.9 28 29 A N H 4 S+ 0 0 130 -4,-0.3 -2,-0.2 1,-0.1 -3,-0.1 0.922 116.1 37.0 -71.6 -48.8 3.8 26.5 20.1 29 30 A M H < S+ 0 0 96 -4,-2.8 -3,-0.2 1,-0.2 -1,-0.1 0.811 117.7 53.9 -74.7 -33.8 4.4 26.4 16.3 30 31 A F >< - 0 0 41 -4,-2.4 3,-1.0 -5,-0.3 -1,-0.2 -0.892 62.4-176.5-110.3 104.6 8.1 27.4 16.6 31 32 A P G > S+ 0 0 96 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.722 73.2 75.6 -71.8 -23.9 10.0 25.0 18.9 32 33 A F G > + 0 0 48 1,-0.3 3,-1.1 2,-0.1 6,-0.2 0.429 68.8 90.6 -74.3 1.2 13.3 26.9 18.7 33 34 A I G < S+ 0 0 26 -3,-1.0 -1,-0.3 1,-0.2 6,-0.2 0.789 71.6 72.0 -63.0 -28.8 12.0 29.6 21.0 34 35 A K G < S+ 0 0 176 -3,-1.3 2,-0.8 -7,-0.1 -1,-0.2 0.708 71.7 98.3 -63.1 -21.1 13.3 27.6 24.0 35 36 A I X> - 0 0 19 -3,-1.1 3,-1.1 1,-0.2 4,-0.6 -0.603 62.0-164.8 -69.5 104.9 16.9 28.6 22.9 36 37 A K H 3> S+ 0 0 103 -2,-0.8 4,-2.0 1,-0.3 3,-0.3 0.763 80.8 62.9 -73.1 -25.1 17.5 31.6 25.3 37 38 A T H 34 S+ 0 0 2 231,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.660 97.7 61.9 -70.2 -15.9 20.5 33.0 23.5 38 39 A L H <4 S+ 0 0 1 -3,-1.1 -27,-3.1 -6,-0.2 -1,-0.2 0.849 120.3 16.5 -76.0 -37.5 18.2 33.6 20.5 39 40 A M H < S+ 0 0 35 -4,-0.6 2,-0.6 -3,-0.3 -26,-0.2 0.619 111.9 71.8-115.5 -17.4 15.7 36.1 22.1 40 41 A D X - 0 0 65 -4,-2.0 4,-2.0 1,-0.2 3,-0.2 -0.914 61.4-162.4-110.3 109.4 17.4 37.3 25.3 41 42 A L H > S+ 0 0 50 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.869 87.5 50.2 -64.0 -43.7 20.3 39.7 24.5 42 43 A D H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.848 109.9 53.0 -65.1 -33.6 22.1 39.6 27.8 43 44 A E H > S+ 0 0 37 -7,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.927 109.2 49.4 -62.7 -46.0 22.1 35.8 27.7 44 45 A R H < S+ 0 0 8 -4,-2.0 -2,-0.2 -8,-0.3 -1,-0.2 0.907 115.5 42.8 -58.3 -45.4 23.6 35.9 24.2 45 46 A L H >< S+ 0 0 45 -4,-2.3 3,-0.8 2,-0.2 -2,-0.2 0.857 114.2 49.7 -74.5 -36.9 26.4 38.3 25.3 46 47 A T H 3< S+ 0 0 111 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.931 119.5 37.9 -63.6 -46.5 27.1 36.5 28.6 47 48 A K T 3< S+ 0 0 79 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.133 84.4 160.9 -95.2 19.7 27.4 33.2 26.9 48 49 A W < - 0 0 29 -3,-0.8 3,-0.1 1,-0.1 -3,-0.1 -0.135 38.1-137.4 -47.2 128.2 29.1 34.6 23.8 49 50 A P S S+ 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.819 77.8 8.1 -64.3 -39.2 30.9 31.7 21.9 50 51 A D > - 0 0 37 3,-0.2 3,-1.6 1,-0.1 -2,-0.0 -0.967 56.1-144.3-152.6 128.6 34.2 33.3 21.0 51 52 A Q T 3 S+ 0 0 159 -2,-0.3 -1,-0.1 1,-0.3 -49,-0.0 0.743 104.7 53.7 -64.0 -25.8 35.8 36.7 22.0 52 53 A N T 3 S+ 0 0 59 -50,-0.1 -49,-3.5 -51,-0.1 2,-0.5 0.131 93.8 94.2 -96.4 18.0 37.3 37.0 18.6 53 54 A T E < -a 3 0A 2 -3,-1.6 2,-0.4 -51,-0.2 -49,-0.2 -0.940 50.8-171.1-112.5 131.6 34.0 36.5 16.8 54 55 A K E -a 4 0A 50 -51,-2.7 -49,-3.0 -2,-0.5 2,-0.4 -0.933 20.0-138.7-109.4 148.0 31.6 39.2 15.6 55 56 A Q E -ac 5 95A 2 39,-2.6 41,-1.3 -2,-0.4 42,-1.0 -0.843 8.4-146.6-110.1 140.3 28.2 38.2 14.3 56 57 A V E - c 0 97A 0 -51,-3.0 -48,-1.8 -2,-0.4 2,-0.5 -0.931 33.8-145.7 -95.5 123.1 26.1 39.4 11.4 57 58 A I E +ac 8 98A 0 40,-2.2 42,-3.1 -2,-0.6 2,-0.3 -0.794 26.0 169.0-108.8 132.8 22.6 39.1 12.6 58 59 A S E -ac 9 99A 0 -50,-1.9 -48,-1.9 -2,-0.5 2,-0.1 -0.870 40.6 -92.8-126.4 159.1 19.4 38.2 10.7 59 60 A L E -a 10 0A 2 40,-0.5 -48,-0.2 -2,-0.3 2,-0.1 -0.482 35.0-120.0 -71.0 143.7 16.0 37.3 12.0 60 61 A A - 0 0 3 -50,-1.1 2,-3.0 -2,-0.1 -1,-0.1 -0.455 54.6 -77.4 -68.8 157.4 15.0 33.7 12.6 61 62 A N S S+ 0 0 26 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.262 93.6 116.2 -71.6 64.8 12.0 32.7 10.3 62 63 A I + 0 0 2 -2,-3.0 -2,-0.1 -32,-0.0 -1,-0.1 -0.917 47.6 174.5-119.6 97.9 9.2 34.4 12.2 63 64 A S > - 0 0 1 -2,-0.5 3,-1.8 1,-0.1 4,-0.3 -0.909 41.1-132.6-117.7 137.8 8.1 36.9 9.5 64 65 A P G >> S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 3,-1.4 0.746 101.3 69.2 -55.1 -30.7 5.2 39.3 9.4 65 66 A E G 34 S+ 0 0 15 1,-0.3 8,-0.1 37,-0.2 5,-0.1 0.637 95.2 55.3 -66.7 -16.3 4.3 38.3 5.8 66 67 A D G <4 S+ 0 0 80 -3,-1.8 -1,-0.3 1,-0.1 3,-0.1 0.533 123.9 20.9 -92.5 -10.8 3.1 34.8 7.1 67 68 A F T <4 S+ 0 0 64 -3,-1.4 2,-0.2 -4,-0.3 -2,-0.2 0.634 117.0 49.5-126.9 -32.6 0.6 36.2 9.7 68 69 A T S < S- 0 0 24 -4,-3.2 -1,-0.1 1,-0.1 -46,-0.0 -0.681 79.5 -95.7-116.7 167.6 -0.3 39.8 8.7 69 70 A D > - 0 0 94 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.203 48.1 -93.0 -73.9 170.7 -1.5 41.9 5.8 70 71 A S H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.776 123.3 47.1 -58.3 -35.4 0.8 43.9 3.5 71 72 A K H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.948 115.6 42.4 -71.7 -52.4 0.4 47.2 5.4 72 73 A T H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.853 114.9 53.0 -61.3 -37.0 0.9 45.7 8.9 73 74 A S H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.945 107.7 48.8 -65.0 -50.5 3.8 43.6 7.6 74 75 A A H X S+ 0 0 13 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.897 113.3 49.1 -55.2 -44.4 5.6 46.6 6.0 75 76 A E H X S+ 0 0 102 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.897 112.9 46.4 -59.1 -45.9 5.2 48.4 9.3 76 77 A L H X S+ 0 0 16 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.821 111.1 51.2 -71.6 -35.7 6.5 45.5 11.4 77 78 A C H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 24,-0.3 0.895 109.1 51.1 -65.1 -44.0 9.5 44.9 9.1 78 79 A Q H X S+ 0 0 134 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.895 111.5 48.3 -57.8 -43.1 10.5 48.6 9.3 79 80 A S H X S+ 0 0 22 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.822 113.0 48.4 -66.8 -34.3 10.3 48.3 13.1 80 81 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.925 110.9 48.5 -72.2 -47.2 12.4 45.1 13.1 81 82 A N H X S+ 0 0 9 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.862 111.0 51.9 -60.0 -39.4 15.1 46.6 10.8 82 83 A E H X S+ 0 0 134 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.901 112.6 44.9 -62.0 -44.8 15.3 49.7 13.0 83 84 A E H X S+ 0 0 14 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.850 113.6 50.4 -68.9 -34.5 15.8 47.5 16.0 84 85 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.940 111.4 47.8 -64.8 -50.1 18.3 45.3 14.1 85 86 A S H X S+ 0 0 12 -4,-3.0 4,-2.4 1,-0.2 3,-0.3 0.913 111.5 52.4 -54.2 -46.6 20.2 48.5 13.1 86 87 A N H X S+ 0 0 59 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.894 103.8 55.9 -57.4 -44.4 20.0 49.7 16.7 87 88 A L H X S+ 0 0 15 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.826 111.7 43.3 -58.9 -35.8 21.5 46.4 18.1 88 89 A V H < S+ 0 0 8 -4,-1.4 7,-0.2 -3,-0.3 -2,-0.2 0.919 115.5 47.6 -75.7 -48.3 24.6 46.7 15.8 89 90 A D H < S+ 0 0 90 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.918 116.7 44.1 -55.6 -47.6 25.0 50.5 16.6 90 91 A Q H < S+ 0 0 108 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.717 124.4 33.4 -75.9 -23.9 24.6 49.9 20.3 91 92 A H >X + 0 0 60 -4,-1.0 4,-2.6 -5,-0.2 3,-1.6 -0.478 67.0 157.4-130.3 68.7 26.9 46.8 20.4 92 93 A P T 34 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.577 71.3 58.3 -76.6 -10.1 29.6 47.3 17.8 93 94 A G T 34 S+ 0 0 57 1,-0.1 3,-0.1 -39,-0.0 -40,-0.1 0.426 117.1 33.6 -93.8 -1.9 32.2 44.9 19.4 94 95 A K T <4 S+ 0 0 64 -3,-1.6 -39,-2.6 1,-0.2 2,-0.6 0.694 115.1 53.7-115.3 -46.7 29.7 42.0 19.1 95 96 A F E < -c 55 0A 2 -4,-2.6 -1,-0.2 -7,-0.2 -39,-0.2 -0.862 51.2-172.8-106.0 117.2 27.7 42.7 16.0 96 97 A A E S- 0 0 19 -41,-1.3 2,-0.3 -2,-0.6 -40,-0.2 0.718 71.1 -46.8 -72.1 -24.8 29.5 43.3 12.6 97 98 A G E -c 56 0A 0 -42,-1.0 -40,-2.2 -13,-0.0 2,-0.3 -0.954 56.6-103.7 170.6 175.1 26.2 44.2 11.0 98 99 A A E -cd 57 123A 0 24,-2.4 26,-2.6 -2,-0.3 27,-0.8 -0.945 15.5-135.5-127.9 151.5 22.6 43.3 10.5 99 100 A V E -cd 58 125A 0 -42,-3.1 -40,-0.5 -2,-0.3 27,-0.3 -0.917 30.6-128.7-107.7 121.5 20.6 41.7 7.7 100 101 A A E - d 0 126A 0 25,-2.9 27,-3.0 -2,-0.6 2,-0.3 -0.272 10.9-124.0 -73.3 148.0 17.2 43.3 7.0 101 102 A I E - d 0 127A 7 -24,-0.3 -20,-0.1 25,-0.2 27,-0.1 -0.720 21.7-148.8 -89.0 139.4 13.8 41.7 6.8 102 103 A L - 0 0 3 25,-0.5 2,-1.3 -2,-0.3 -37,-0.2 -0.902 12.5-137.0-107.6 132.1 11.8 42.2 3.6 103 104 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 7,-0.4 -0.768 23.9-176.9 -83.7 98.2 8.0 42.3 3.5 104 105 A M T 3 S+ 0 0 0 -2,-1.3 3,-0.2 1,-0.3 28,-0.1 0.648 80.7 61.9 -79.5 -10.6 7.6 40.1 0.5 105 106 A N T 3 S+ 0 0 36 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.476 105.6 52.0 -80.0 -4.8 3.8 40.6 0.6 106 107 A N <> + 0 0 31 -3,-1.8 4,-2.7 1,-0.1 -1,-0.2 -0.741 65.3 174.8-129.5 88.4 4.6 44.3 0.1 107 108 A I H > S+ 0 0 40 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.882 81.2 54.1 -63.1 -41.8 6.9 44.6 -3.0 108 109 A E H > S+ 0 0 158 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.929 114.5 41.1 -54.3 -50.4 6.8 48.5 -2.9 109 110 A S H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.834 111.0 57.3 -68.0 -36.0 8.0 48.4 0.7 110 111 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 -7,-0.4 -2,-0.2 0.928 106.8 48.9 -60.5 -46.3 10.5 45.6 0.0 111 112 A C H X S+ 0 0 26 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.870 108.5 54.4 -58.9 -39.2 12.1 47.8 -2.6 112 113 A K H X S+ 0 0 151 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.851 105.4 53.0 -63.8 -37.3 12.2 50.6 -0.1 113 114 A V H X S+ 0 0 11 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.925 107.6 50.4 -63.5 -45.3 14.1 48.4 2.4 114 115 A I H >X S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 4,-0.5 0.925 112.8 47.6 -58.1 -45.3 16.7 47.5 -0.3 115 116 A S H >X S+ 0 0 39 -4,-2.2 3,-1.0 1,-0.2 4,-0.7 0.880 106.2 58.3 -58.3 -42.4 17.1 51.3 -0.9 116 117 A S H 3X S+ 0 0 38 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.707 90.1 73.0 -63.3 -23.2 17.3 52.0 2.9 117 118 A I H << S+ 0 0 4 -4,-1.1 3,-0.4 -3,-0.7 -1,-0.2 0.835 95.6 50.0 -65.3 -34.9 20.4 49.6 3.2 118 119 A K H << S+ 0 0 110 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.848 109.2 53.5 -66.1 -35.2 22.6 52.2 1.5 119 120 A D H < S+ 0 0 139 -4,-0.7 2,-0.5 1,-0.1 -2,-0.2 0.643 105.5 61.0 -73.6 -17.4 21.3 54.9 3.9 120 121 A D >< - 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q 0 561C 0 -32,-2.2 -29,-0.7 -2,-0.3 24,-0.2 -0.352 26.3-117.4 -90.8-174.4 28.4 3.5 -5.5 539 236 B T + 0 0 1 22,-0.7 2,-2.4 -31,-0.1 4,-0.4 0.094 61.8 136.2-111.0 20.4 30.3 6.3 -7.4 540 237 B A + 0 0 2 1,-0.2 24,-0.1 2,-0.1 -2,-0.1 -0.390 30.0 108.2 -78.4 72.2 27.5 7.3 -9.7 541 238 B I S S- 0 0 0 -2,-2.4 -327,-0.3 22,-0.2 -1,-0.2 0.039 90.5-106.4-129.9 20.5 27.9 11.1 -9.5 542 239 B L S S- 0 0 17 -3,-0.2 2,-0.5 22,-0.2 -2,-0.1 0.874 75.3 -46.6 59.0 46.6 29.4 11.8 -12.9 543 240 B G S S+ 0 0 6 -4,-0.4 -2,-0.2 1,-0.2 5,-0.1 -0.900 73.0 146.7 110.9-129.8 33.0 12.5 -11.9 544 241 B N > - 0 0 31 -2,-0.5 4,-2.0 3,-0.1 3,-0.4 0.955 26.9-164.0 58.4 74.1 33.8 14.9 -9.1 545 242 B T H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.913 85.7 49.0 -55.3 -52.2 36.9 13.6 -7.4 546 243 B P H > S+ 0 0 38 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.811 110.4 52.3 -64.0 -25.7 36.7 15.6 -4.1 547 244 B A H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.873 109.0 49.4 -72.6 -38.8 33.0 14.5 -3.6 548 245 B L H X S+ 0 0 2 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.864 110.8 51.6 -63.3 -35.8 34.1 10.9 -4.1 549 246 B Q H X S+ 0 0 46 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 106.9 52.1 -65.2 -47.6 36.8 11.6 -1.4 550 247 B L H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.930 108.1 52.9 -50.6 -48.0 34.3 13.1 1.0 551 248 B A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.867 109.3 48.0 -56.7 -40.2 32.2 9.9 0.5 552 249 B I H X S+ 0 0 15 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.891 108.1 56.0 -67.6 -40.6 35.3 7.7 1.4 553 250 B D H < S+ 0 0 88 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.858 117.2 34.9 -59.4 -37.1 35.9 9.9 4.4 554 251 B Y H < S+ 0 0 20 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.938 129.3 29.5 -81.9 -53.6 32.4 9.2 5.7 555 252 B Y H < S- 0 0 14 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.732 104.6-118.9 -81.6 -25.1 31.8 5.6 4.6 556 253 B G >< - 0 0 31 -4,-2.3 3,-1.5 -5,-0.3 4,-0.2 0.024 33.8 -82.2 88.4 152.0 35.3 4.2 4.7 557 254 B I G > S+ 0 0 26 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.785 124.8 62.2 -58.3 -32.1 37.1 2.8 1.6 558 255 B D G 3 S+ 0 0 81 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.503 101.3 53.4 -77.3 -4.3 35.4 -0.7 1.9 559 256 B H G < S+ 0 0 39 -3,-1.5 -22,-3.6 -7,-0.1 2,-0.6 0.376 89.2 87.2-109.5 1.2 31.9 0.8 1.4 560 257 B V E < -q 537 0C 2 -3,-1.1 2,-0.4 -4,-0.2 -22,-0.2 -0.911 56.9-175.2-113.5 120.1 32.5 2.7 -1.8 561 258 B L E -q 538 0C 2 -24,-2.9 -22,-0.7 -2,-0.6 36,-0.2 -0.905 32.3-104.9-120.9 138.3 32.0 0.8 -5.1 562 259 B F + 0 0 1 34,-3.1 -252,-2.5 -2,-0.4 2,-0.3 -0.390 53.7 153.6 -55.4 131.8 32.6 1.8 -8.7 563 260 B G - 0 0 0 -254,-0.2 -22,-0.2 -253,-0.2 -251,-0.1 -0.941 25.6-174.1-164.5 146.2 29.3 2.4 -10.3 564 261 B T - 0 0 1 -253,-0.7 11,-0.5 -2,-0.3 -252,-0.2 0.645 38.0-121.6-123.5 -22.1 28.3 4.6 -13.3 565 262 B D > - 0 0 19 -254,-2.3 3,-1.3 1,-0.2 -253,-0.2 0.784 55.5-140.0 69.0 30.6 24.5 4.8 -13.8 566 263 B A B 3 +k 312 0C 1 -255,-0.6 -253,-3.4 1,-0.3 -1,-0.2 -0.369 69.2 15.6 -62.5 143.1 25.1 3.4 -17.4 567 264 B P T 3 S+ 0 0 2 0, 0.0 7,-0.9 0, 0.0 -1,-0.3 -0.966 106.8 93.1 -93.7 11.2 23.9 4.0 -20.0 568 265 B F S < S+ 0 0 36 -3,-1.3 2,-2.5 5,-0.2 7,-0.4 0.013 83.5 11.5 -66.6 162.9 22.4 7.3 -18.7 569 266 B A S S+ 0 0 53 5,-0.1 2,-0.6 -3,-0.1 -1,-0.2 -0.171 115.7 63.8 72.8 -44.3 23.7 10.8 -18.8 570 267 B V S > S- 0 0 42 -2,-2.5 4,-3.2 -3,-0.2 6,-0.1 -0.952 93.3-107.5-114.3 114.3 26.7 10.2 -21.2 571 268 B M T 4 S+ 0 0 110 -2,-0.6 -3,-0.1 1,-0.2 -232,-0.0 -0.600 86.4 9.5 -79.2 144.4 25.7 9.1 -24.7 572 269 B P T 4 S+ 0 0 62 0, 0.0 -231,-0.4 0, 0.0 -1,-0.2 -0.986 137.6 0.0 -91.0 -12.8 26.0 6.5 -26.0 573 270 B S T 4 S- 0 0 8 1,-0.4 3,-0.2 -7,-0.1 -2,-0.2 0.140 99.3 -90.4-133.2 19.9 26.9 4.1 -23.2 574 271 B G < - 0 0 8 -4,-3.2 3,-0.4 -7,-0.9 -1,-0.4 -0.240 54.7 -56.5 93.8 179.0 27.2 5.9 -19.8 575 272 B A S > S+ 0 0 2 -11,-0.5 4,-2.1 -7,-0.4 5,-0.3 -0.080 75.5 129.1 -97.1 34.1 29.8 7.7 -17.8 576 273 B D H > S+ 0 0 2 -2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.904 76.3 48.2 -50.3 -47.4 32.5 5.0 -17.5 577 274 B Q H > S+ 0 0 165 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.931 112.9 42.6 -65.8 -52.0 35.3 7.3 -18.7 578 275 B I H > S+ 0 0 56 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.831 117.8 46.6 -68.6 -30.9 34.6 10.4 -16.6 579 276 B I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.2 0.907 111.1 50.7 -76.3 -42.6 34.0 8.3 -13.4 580 277 B T H X S+ 0 0 17 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.901 111.7 49.7 -59.0 -44.1 37.1 6.1 -13.9 581 278 B Q H X S+ 0 0 105 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.866 109.4 51.7 -60.5 -39.8 39.2 9.3 -14.4 582 279 B A H < S+ 0 0 5 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.786 110.9 46.4 -71.8 -31.3 37.7 10.8 -11.2 583 280 B I H >< S+ 0 0 1 -4,-1.8 3,-1.3 2,-0.2 -1,-0.2 0.879 111.7 52.3 -74.7 -40.7 38.5 7.7 -9.1 584 281 B N H 3< S+ 0 0 71 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.794 103.2 59.1 -63.9 -30.1 42.1 7.7 -10.6 585 282 B D T 3< S+ 0 0 90 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.481 82.4 114.0 -78.9 -2.6 42.5 11.3 -9.6 586 283 B L S < S- 0 0 7 -3,-1.3 2,-1.6 1,-0.1 7,-0.1 -0.452 73.2-128.2 -71.2 140.6 42.0 10.5 -5.9 587 284 B T S S+ 0 0 145 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 -0.391 74.6 108.3 -84.2 56.7 44.9 11.0 -3.5 588 285 B I S S- 0 0 31 -2,-1.6 5,-0.0 1,-0.1 -39,-0.0 -0.805 74.8 -84.5-124.9 169.1 44.5 7.5 -2.1 589 286 B S > - 0 0 58 -2,-0.3 4,-1.8 1,-0.1 -1,-0.1 -0.138 32.9-114.2 -71.5 168.9 46.5 4.3 -2.5 590 287 B D H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.800 118.7 56.1 -74.4 -31.3 46.4 1.8 -5.4 591 288 B K H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 108.6 49.0 -59.3 -45.2 45.0 -0.9 -3.0 592 289 B D H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.876 110.4 49.1 -65.1 -41.4 42.3 1.6 -2.1 593 290 B K H X S+ 0 0 33 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.847 109.7 52.8 -64.5 -36.3 41.5 2.3 -5.8 594 291 B Q H X>S+ 0 0 78 -4,-1.9 4,-2.2 2,-0.2 5,-2.2 0.829 105.6 54.1 -69.0 -36.4 41.4 -1.5 -6.5 595 292 B K H <>S+ 0 0 36 -4,-1.8 5,-2.6 3,-0.2 6,-0.4 0.969 113.0 43.4 -56.8 -52.9 38.9 -1.9 -3.6 596 293 B I H <5S+ 0 0 4 -4,-2.0 -34,-3.1 1,-0.2 -2,-0.2 0.929 121.5 38.6 -58.9 -51.0 36.6 0.8 -5.3 597 294 B F H <5S- 0 0 20 -4,-2.8 -289,-3.3 -36,-0.2 -1,-0.2 0.784 141.2 -13.8 -70.3 -29.2 37.1 -0.6 -8.9 598 295 B H T X5S+ 0 0 34 -4,-2.2 4,-1.0 -291,-0.2 3,-0.5 0.649 118.4 58.4-141.5 -61.9 37.0 -4.3 -8.0 599 296 B D H > S+ 0 0 5 -3,-0.5 4,-2.0 -6,-0.4 -1,-0.2 0.919 108.1 46.5 -54.0 -48.8 31.9 -5.6 -5.0 602 299 B Y H X S+ 0 0 73 -4,-1.0 4,-1.0 1,-0.2 -2,-0.2 0.848 111.1 51.5 -70.7 -33.8 33.0 -9.1 -4.3 603 300 B S H >< S+ 0 0 65 -4,-1.9 3,-0.5 2,-0.2 -1,-0.2 0.928 109.9 52.5 -60.3 -44.8 33.0 -8.5 -0.5 604 301 B L H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.891 112.2 42.0 -59.7 -44.3 29.4 -7.1 -0.9 605 302 B I H 3< S+ 0 0 36 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.568 81.5 122.8 -88.5 -9.4 28.0 -10.1 -2.7 606 303 B K << 0 0 135 -4,-1.0 -3,-0.0 -3,-0.5 -4,-0.0 -0.280 360.0 360.0 -53.6 135.5 29.7 -12.9 -0.6 607 304 B E 0 0 118 -185,-0.0 -1,-0.1 -149,-0.0 -185,-0.0 0.794 360.0 360.0-108.4 360.0 27.1 -15.1 0.9 608 !* 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 0.0 609 2 C L 0 0 137 0, 0.0 51,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 175.7 43.6 52.3 -25.9 610 3 C T - 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0 0 4 -3,-1.7 2,-0.6 -7,-0.2 -48,-0.1 -0.469 55.7-140.0 -63.3 131.8 23.7 57.7 -71.9 1110 200 D K + 0 0 18 -45,-0.2 -43,-2.9 -2,-0.2 2,-0.5 -0.888 25.5 173.3-102.1 114.4 25.3 61.0 -70.8 1111 201 D I E -e 1067 0G 0 -2,-0.6 32,-3.2 30,-0.3 2,-0.7 -0.991 19.7-153.0-124.1 121.1 23.5 62.9 -68.0 1112 202 D L E -ef10681143G 0 -45,-3.7 -43,-3.1 -2,-0.5 2,-0.5 -0.868 17.7-152.3 -91.7 112.8 25.1 66.0 -66.5 1113 203 D V E -ef10691144G 0 30,-3.6 32,-2.0 -2,-0.7 3,-0.5 -0.741 10.8-126.1 -93.6 126.6 23.8 66.3 -62.9 1114 204 D H S S+ 0 0 0 -45,-1.9 3,-0.4 -2,-0.5 4,-0.3 -0.352 84.8 29.5 -63.9 145.1 23.5 69.7 -61.2 1115 205 D H S > S- 0 0 0 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.806 123.2 -68.2 74.6 38.1 25.2 70.3 -57.8 1116 206 D A T 3 S- 0 0 0 29,-0.6 -1,-0.2 -3,-0.5 -2,-0.1 0.676 99.1 -50.7 64.3 23.5 28.2 67.9 -57.9 1117 207 D G T > S- 0 0 0 -3,-0.4 3,-2.1 -4,-0.3 -1,-0.3 0.625 80.8-126.6 88.3 15.1 26.1 64.8 -57.7 1118 208 D A T < S- 0 0 1 -3,-1.3 4,-0.3 -4,-0.3 -30,-0.1 -0.182 78.2 -7.4 51.3-121.3 24.1 66.0 -54.8 1119 209 D M T 3> S+ 0 0 4 -32,-0.6 4,-1.5 1,-0.2 -1,-0.3 0.440 113.6 90.3 -86.7 -1.0 24.1 63.5 -51.8 1120 210 D V T <4 S+ 0 0 0 -3,-2.1 4,-0.3 1,-0.2 7,-0.2 0.939 80.5 48.2 -69.0 -53.4 25.9 60.7 -53.7 1121 211 D P T 4 S+ 0 0 1 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.796 117.6 43.1 -60.3 -30.6 29.7 61.2 -53.1 1122 212 D F T 4 S+ 0 0 2 -4,-0.3 3,-0.3 1,-0.2 -2,-0.2 0.828 123.1 38.3 -78.7 -34.2 29.2 61.7 -49.3 1123 213 D F S X S+ 0 0 2 -4,-1.5 4,-1.7 1,-0.2 3,-0.4 0.010 73.9 115.7-111.6 27.9 26.7 58.8 -49.1 1124 214 D S H > S+ 0 0 14 -3,-0.3 4,-3.0 -4,-0.3 5,-0.2 0.840 73.5 64.1 -64.0 -33.7 28.3 56.2 -51.5 1125 215 D G H > S+ 0 0 5 -280,-0.3 4,-0.9 -3,-0.3 -1,-0.2 0.879 103.2 47.6 -53.0 -43.8 28.8 53.9 -48.5 1126 216 D R H >> S+ 0 0 13 -3,-0.4 4,-0.7 -281,-0.2 3,-0.6 0.932 112.9 47.7 -62.0 -50.1 25.0 53.7 -48.0 1127 217 D I H >X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 3,-0.8 0.906 111.7 50.9 -57.2 -44.5 24.5 53.0 -51.8 1128 218 D D H 3< S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.676 115.9 41.1 -70.7 -19.0 27.2 50.3 -51.8 1129 219 D H H << S+ 0 0 71 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.366 122.0 38.2-110.5 1.4 25.7 48.6 -48.7 1130 220 D I H << S+ 0 0 67 -3,-0.8 2,-0.2 -4,-0.7 -3,-0.2 0.715 111.0 53.2-114.1 -45.0 22.0 48.8 -49.7 1131 221 D L S < S- 0 0 17 -4,-2.2 -1,-0.1 -5,-0.3 -32,-0.0 -0.555 90.1 -99.8 -92.6 156.4 21.9 48.3 -53.5 1132 222 D D > - 0 0 90 -2,-0.2 4,-3.0 -3,-0.1 5,-0.3 -0.237 41.9 -94.9 -69.6 165.2 23.5 45.4 -55.4 1133 223 D E H > S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.849 122.4 47.1 -47.6 -49.5 26.9 45.6 -57.2 1134 224 D K H > S+ 0 0 136 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.892 116.7 42.4 -64.3 -42.9 25.4 46.4 -60.6 1135 225 D H H > S+ 0 0 25 -3,-0.2 4,-0.6 2,-0.2 3,-0.4 0.877 110.8 54.6 -76.9 -39.2 23.1 49.1 -59.4 1136 226 D A H >< S+ 0 0 2 -4,-3.0 3,-0.9 1,-0.2 4,-0.3 0.893 109.6 48.9 -55.7 -42.2 25.6 50.7 -56.9 1137 227 D Q H >< S+ 0 0 67 -4,-1.7 3,-1.0 -5,-0.3 -1,-0.2 0.686 94.8 73.3 -78.3 -17.7 28.1 51.1 -59.7 1138 228 D D H >< S+ 0 0 3 -4,-0.7 3,-1.4 -3,-0.4 4,-0.3 0.753 85.2 67.6 -63.9 -27.4 25.5 52.7 -62.1 1139 229 D F G X< S+ 0 0 0 -3,-0.9 3,-0.9 -4,-0.6 -1,-0.2 0.778 90.9 62.6 -62.1 -27.7 25.7 55.9 -59.9 1140 230 D K G < S+ 0 0 59 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.496 88.2 72.0 -76.4 -6.9 29.2 56.4 -61.2 1141 231 D K G < S+ 0 0 63 -3,-1.4 -30,-0.3 -4,-0.1 -1,-0.2 0.666 77.0 97.1 -83.5 -20.8 28.0 56.8 -64.8 1142 232 D F < - 0 0 0 -3,-0.9 2,-0.3 -4,-0.3 -30,-0.2 -0.378 69.3-137.9 -66.8 146.9 26.5 60.2 -64.1 1143 233 D Y E -f 1112 0G 53 -32,-3.2 -30,-3.6 -2,-0.1 2,-0.3 -0.798 23.7-160.8 -99.5 150.0 28.4 63.3 -65.0 1144 234 D V E -fg11131167G 0 22,-3.0 24,-2.9 -2,-0.3 -30,-0.2 -0.965 10.3-138.9-135.4 151.4 28.4 66.2 -62.5 1145 235 D D E - g 01168G 0 -32,-2.0 -29,-0.6 -2,-0.3 24,-0.2 -0.444 25.9-116.5 -98.7-179.8 29.1 70.0 -62.4 1146 236 D T + 0 0 2 22,-0.9 2,-2.4 -2,-0.1 4,-0.5 0.164 65.8 131.4-102.2 17.9 30.8 72.1 -59.8 1147 237 D A + 0 0 3 1,-0.2 24,-0.1 2,-0.1 -1,-0.1 -0.351 29.5 107.2 -78.8 65.2 27.8 74.2 -58.8 1148 238 D I S S- 0 0 0 -2,-2.4 -326,-0.4 2,-0.2 -325,-0.3 0.104 94.3-101.9-123.7 21.0 27.9 73.9 -55.0 1149 239 D L S S- 0 0 15 -3,-0.2 2,-0.4 22,-0.2 -2,-0.1 0.906 76.0 -52.7 61.3 50.3 29.1 77.5 -54.3 1150 240 D G S S+ 0 0 4 -4,-0.5 -2,-0.2 1,-0.1 5,-0.1 -0.809 70.9 151.1 100.4-132.7 32.8 76.7 -53.7 1151 241 D N >> - 0 0 31 -2,-0.4 4,-2.0 3,-0.1 3,-0.7 0.986 27.1-160.6 61.6 74.6 33.9 74.1 -51.1 1152 242 D T H 3> S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.871 87.3 47.1 -48.4 -53.3 37.2 72.6 -52.3 1153 243 D P H 3> S+ 0 0 38 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.733 110.1 54.5 -71.4 -17.6 37.2 69.3 -50.3 1154 244 D A H <> S+ 0 0 0 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.873 109.4 47.6 -73.0 -40.0 33.6 68.6 -51.4 1155 245 D L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -3,-0.1 0.900 110.1 53.3 -65.2 -39.6 34.7 69.0 -55.0 1156 246 D Q H X S+ 0 0 48 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.924 106.9 51.4 -57.3 -47.1 37.6 66.7 -54.2 1157 247 D L H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.845 107.5 53.3 -59.0 -36.9 35.2 64.1 -52.8 1158 248 D A H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 5,-0.4 0.905 109.7 48.3 -64.8 -42.3 33.2 64.4 -56.1 1159 249 D I H X S+ 0 0 16 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.881 108.7 54.8 -61.5 -41.2 36.4 63.7 -58.0 1160 250 D D H < S+ 0 0 84 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.886 117.3 35.0 -62.5 -40.5 37.2 60.7 -55.8 1161 251 D Y H < S+ 0 0 25 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.1 0.964 129.3 28.9 -77.2 -57.9 33.8 59.1 -56.5 1162 252 D Y H < S- 0 0 12 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.675 106.5-115.5 -80.8 -20.7 33.1 60.0 -60.1 1163 253 D G >< - 0 0 30 -4,-1.9 3,-1.7 -5,-0.4 4,-0.2 0.087 32.4 -83.8 88.9 149.0 36.7 60.3 -61.5 1164 254 D I G > S+ 0 0 29 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.741 125.5 64.0 -57.9 -24.3 38.3 63.4 -62.8 1165 255 D D G 3 S+ 0 0 89 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.639 99.5 51.9 -78.1 -14.9 36.7 62.8 -66.3 1166 256 D H G < S+ 0 0 34 -3,-1.7 -22,-3.0 -7,-0.1 2,-0.5 0.272 88.3 92.1-106.0 7.9 33.1 63.2 -64.9 1167 257 D V E < -g 1144 0G 2 -3,-0.8 2,-0.3 -4,-0.2 -22,-0.2 -0.922 54.1-176.6-112.3 119.1 33.5 66.6 -63.2 1168 258 D L E -g 1145 0G 0 -24,-2.9 -22,-0.9 -2,-0.5 2,-0.3 -0.863 32.2-105.1-120.2 144.5 32.7 69.7 -65.2 1169 259 D F + 0 0 0 34,-2.5 -252,-3.0 -2,-0.3 2,-0.3 -0.521 53.9 150.4 -66.1 124.4 32.9 73.4 -64.4 1170 260 D G - 0 0 0 -2,-0.3 -22,-0.2 -254,-0.3 -251,-0.1 -0.972 25.6-175.1-155.7 150.6 29.5 74.8 -63.8 1171 261 D T - 0 0 2 -2,-0.3 11,-0.4 -253,-0.3 -22,-0.2 0.724 37.9-122.0-121.9 -30.3 28.2 77.7 -61.6 1172 262 D D > - 0 0 14 -254,-2.0 3,-1.5 1,-0.2 -253,-0.2 0.730 54.3-138.3 77.7 28.2 24.4 78.0 -61.6 1173 263 D A T 3 + 0 0 1 -255,-0.4 -253,-3.2 1,-0.3 -1,-0.2 -0.314 69.7 12.4 -59.7 142.1 24.8 81.6 -62.9 1174 264 D P T 3 S+ 0 0 3 0, 0.0 7,-1.1 0, 0.0 -1,-0.3 -0.945 107.7 91.5 -95.1 17.3 23.3 84.1 -62.2 1175 265 D F S < S+ 0 0 36 -3,-1.5 2,-2.4 1,-0.2 7,-0.3 -0.001 82.3 19.5 -69.9 166.2 21.8 82.6 -59.0 1176 266 D A S S+ 0 0 51 5,-0.1 2,-0.5 -3,-0.1 -1,-0.2 -0.221 119.1 52.4 79.0 -52.2 23.1 82.6 -55.5 1177 267 D V S > S- 0 0 34 -2,-2.4 4,-2.7 -3,-0.2 6,-0.1 -0.952 91.0 -99.9-132.6 113.1 25.5 85.5 -56.0 1178 268 D M T 4 S+ 0 0 113 -2,-0.5 2,-0.1 2,-0.2 -3,-0.1 -0.435 86.5 8.5 -78.2 150.7 24.7 88.8 -57.5 1179 269 D P T 4 S- 0 0 62 0, 0.0 -231,-0.3 0, 0.0 -1,-0.2 -0.884 136.2 -2.3 -82.8 -30.4 24.9 90.1 -59.9 1180 270 D S T 4 S- 0 0 8 1,-0.4 3,-0.3 -2,-0.1 -2,-0.2 -0.060 100.2 -90.3-121.5 29.3 26.1 87.3 -62.3 1181 271 D G < - 0 0 11 -4,-2.7 -1,-0.4 -7,-1.1 3,-0.4 -0.218 56.6 -57.0 86.8-178.4 26.5 84.1 -60.3 1182 272 D A S > S+ 0 0 1 -11,-0.4 4,-2.4 -7,-0.3 5,-0.3 -0.106 76.4 130.2-100.3 34.9 29.4 82.5 -58.5 1183 273 D D H > S+ 0 0 3 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.867 75.3 48.8 -51.8 -46.3 32.0 82.2 -61.2 1184 274 D Q H > S+ 0 0 166 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.918 114.3 42.8 -65.0 -49.2 34.8 83.8 -59.1 1185 275 D I H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.924 116.6 47.2 -63.7 -47.6 34.3 81.7 -55.9 1186 276 D I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.878 112.6 49.3 -65.0 -39.9 33.8 78.4 -57.9 1187 277 D T H X S+ 0 0 17 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.882 111.6 49.7 -64.4 -41.2 36.9 79.1 -60.0 1188 278 D Q H X S+ 0 0 105 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.921 109.8 52.1 -61.7 -44.7 38.9 79.9 -56.9 1189 279 D A H < S+ 0 0 6 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.859 110.7 46.1 -58.8 -42.4 37.6 76.6 -55.3 1190 280 D I H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.887 110.2 54.6 -69.5 -39.6 38.8 74.5 -58.3 1191 281 D N H 3< S+ 0 0 76 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.827 101.8 59.2 -62.1 -33.6 42.2 76.2 -58.4 1192 282 D D T 3< S+ 0 0 86 -4,-1.7 -1,-0.2 -5,-0.1 2,-0.2 0.397 80.7 114.9 -77.2 -0.5 42.8 75.3 -54.7 1193 283 D L S < S- 0 0 6 -3,-1.4 2,-1.9 -4,-0.1 7,-0.1 -0.493 73.7-123.9 -75.2 142.9 42.5 71.6 -55.3 1194 284 D T S S+ 0 0 141 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 -0.471 75.6 106.0 -84.2 65.0 45.6 69.3 -54.8 1195 285 D I S S- 0 0 37 -2,-1.9 5,-0.0 -4,-0.2 -39,-0.0 -0.866 75.1 -76.9-136.3 169.9 45.5 67.9 -58.3 1196 286 D S > - 0 0 48 -2,-0.3 4,-1.4 1,-0.1 -1,-0.1 -0.179 34.6-118.2 -68.3 161.5 47.5 68.4 -61.6 1197 287 D D H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.787 117.5 55.8 -65.9 -33.9 47.1 71.3 -64.0 1198 288 D K H > S+ 0 0 136 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.868 105.9 51.6 -65.6 -39.9 45.9 68.9 -66.7 1199 289 D D H > S+ 0 0 38 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.832 108.4 51.6 -66.7 -35.5 43.2 67.7 -64.3 1200 290 D K H X S+ 0 0 45 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.896 107.6 50.0 -69.1 -42.0 42.1 71.3 -63.7 1201 291 D Q H X>S+ 0 0 69 -4,-1.8 5,-2.3 2,-0.2 4,-1.5 0.781 105.9 58.4 -71.1 -26.8 41.8 72.2 -67.4 1202 292 D K H <>S+ 0 0 41 -4,-1.3 5,-3.1 3,-0.2 6,-0.4 0.951 110.1 43.9 -57.4 -51.2 39.7 69.0 -67.8 1203 293 D I H <5S+ 0 0 3 -4,-1.6 -34,-2.5 1,-0.2 -2,-0.2 0.958 120.7 38.3 -58.0 -58.7 37.3 70.5 -65.2 1204 294 D F H <5S- 0 0 21 -4,-2.7 -289,-3.5 -36,-0.2 -1,-0.2 0.715 141.0 -12.7 -62.6 -25.5 37.2 74.0 -66.7 1205 295 D H T X5S+ 0 0 21 -4,-1.5 4,-0.8 -5,-0.2 3,-0.4 0.628 119.3 57.4-147.8 -64.6 37.3 73.0 -70.3 1206 296 D D H > S+ 0 0 6 -6,-0.4 4,-1.6 -3,-0.4 -1,-0.2 0.865 106.2 48.2 -56.8 -45.4 32.7 69.6 -71.6 1209 299 D Y H < S+ 0 0 77 -4,-0.8 4,-0.2 -3,-0.5 -1,-0.2 0.812 110.8 51.2 -74.7 -28.6 34.0 68.8 -75.1 1210 300 D S H < S+ 0 0 67 -4,-1.7 3,-0.4 2,-0.2 -1,-0.2 0.798 108.6 53.5 -69.9 -32.4 34.2 65.1 -74.4 1211 301 D L H < S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.870 115.9 37.1 -70.3 -38.0 30.6 65.3 -73.1 1212 302 D I < 0 0 48 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.282 360.0 360.0-100.7 9.6 29.3 66.8 -76.3 1213 303 D K 0 0 177 -3,-0.4 -3,-0.1 -4,-0.2 -4,-0.0 -0.276 360.0 360.0 -67.3 360.0 31.6 64.9 -78.7