==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-98 1BN7 . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR J.NEWMAN,T.S.PEAT,R.RICHARD,L.KAN,P.E.SWANSON,J.A.AFFHOLTER, . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 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 . 15 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 3 0 1 0 1 1 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 I 0 0 106 0, 0.0 272,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 128.9 11.5 83.4 50.3 2 16 A G - 0 0 34 1,-0.1 45,-0.1 45,-0.1 44,-0.0 -0.290 360.0-172.0 -67.5 144.6 10.0 81.7 47.2 3 17 A T + 0 0 51 43,-0.1 -1,-0.1 44,-0.0 43,-0.0 0.538 56.7 95.1-108.7 -10.5 12.1 80.1 44.5 4 18 A G - 0 0 43 1,-0.0 -2,-0.0 2,-0.0 178,-0.0 -0.295 60.6-148.3 -79.6 166.9 9.4 79.4 41.8 5 19 A F + 0 0 43 -2,-0.0 2,-1.8 2,-0.0 -1,-0.0 -0.692 19.2 178.1-133.2 78.7 8.5 81.6 38.9 6 20 A P + 0 0 109 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.302 38.7 117.4 -81.6 52.3 4.7 81.0 38.4 7 21 A F - 0 0 25 -2,-1.8 17,-0.1 17,-0.0 -2,-0.0 -0.986 65.1-123.9-125.8 129.8 4.3 83.4 35.5 8 22 A D - 0 0 126 -2,-0.4 15,-0.4 15,-0.1 2,-0.2 -0.407 36.6-112.2 -65.0 140.8 3.1 82.5 32.0 9 23 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 13,-0.1 -0.523 32.6-171.0 -76.2 140.9 5.7 83.7 29.3 10 24 A H E -A 21 0A 63 11,-1.3 11,-2.1 -2,-0.2 2,-0.3 -0.961 4.5-163.2-125.2 148.9 4.6 86.5 26.9 11 25 A Y E -A 20 0A 89 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.971 9.9-175.6-134.6 145.9 6.7 87.6 23.9 12 26 A V E -A 19 0A 26 7,-1.8 7,-2.8 -2,-0.3 2,-0.6 -0.998 27.2-125.0-139.0 139.5 6.7 90.6 21.7 13 27 A E E +A 18 0A 123 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.803 36.1 172.7 -88.9 121.9 8.9 91.2 18.5 14 28 A V E > -A 17 0A 5 3,-3.0 3,-2.0 -2,-0.6 74,-0.1 -0.997 63.9 -16.6-131.9 123.5 10.9 94.5 18.9 15 29 A L T 3 S- 0 0 84 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.897 129.5 -48.7 48.1 47.1 13.6 95.7 16.4 16 30 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.552 122.8 91.2 75.4 9.3 13.9 92.3 14.8 17 31 A E E < S-A 14 0A 48 -3,-2.0 -3,-3.0 53,-0.1 2,-0.4 -0.952 74.5-115.5-136.7 152.5 14.2 90.3 18.1 18 32 A R E -A 13 0A 96 -2,-0.3 52,-3.2 -5,-0.2 2,-0.4 -0.765 26.9-162.3 -90.0 129.8 11.8 88.6 20.5 19 33 A M E -A 12 0A 1 -7,-2.8 -7,-1.8 -2,-0.4 2,-0.3 -0.951 9.3-142.6-110.2 134.0 11.6 90.1 24.1 20 34 A H E +A 11 0A 2 -2,-0.4 42,-2.5 42,-0.3 2,-0.3 -0.671 26.4 168.2 -91.3 146.8 10.2 88.0 27.0 21 35 A Y E -AB 10 61A 27 -11,-2.1 -11,-1.3 -2,-0.3 2,-0.3 -0.993 34.5-124.1-156.7 152.8 8.0 89.6 29.7 22 36 A V E - B 0 60A 0 38,-2.0 38,-2.1 -2,-0.3 2,-0.3 -0.765 27.5-180.0 -88.6 143.4 5.7 88.9 32.6 23 37 A D E + B 0 59A 14 -15,-0.4 2,-0.2 -2,-0.3 36,-0.2 -0.815 18.7 143.8-149.6 100.0 2.2 90.5 32.4 24 38 A V E + B 0 58A 36 34,-2.1 34,-2.7 -2,-0.3 -17,-0.0 -0.773 31.1 47.6-131.6 176.9 -0.2 89.8 35.3 25 39 A G S S- 0 0 30 -2,-0.2 32,-0.2 32,-0.2 28,-0.1 -0.304 101.3 -5.0 83.8-171.0 -3.0 91.5 37.3 26 40 A P - 0 0 51 0, 0.0 32,-0.1 0, 0.0 -2,-0.0 -0.078 62.8-131.6 -52.0 154.1 -5.9 93.5 35.7 27 41 A R S S+ 0 0 130 30,-0.1 2,-0.2 4,-0.0 -2,-0.0 0.596 86.4 36.6 -86.6 -9.2 -5.8 93.9 31.9 28 42 A D S S+ 0 0 127 2,-0.1 29,-0.4 3,-0.0 2,-0.0 -0.681 79.7 64.0-132.4-178.5 -6.4 97.7 32.2 29 43 A G S S- 0 0 58 -2,-0.2 27,-0.1 27,-0.1 0, 0.0 -0.157 98.3 -29.2 87.2 173.3 -5.6 100.7 34.4 30 44 A T S S- 0 0 26 67,-0.1 27,-0.4 1,-0.1 2,-0.2 -0.437 70.7-137.4 -64.1 121.7 -2.2 102.2 35.1 31 45 A P - 0 0 8 0, 0.0 67,-2.2 0, 0.0 2,-0.6 -0.538 2.4-133.9 -82.4 150.9 0.5 99.5 34.7 32 46 A V E -cd 58 98A 0 25,-2.8 27,-2.7 65,-0.2 2,-0.6 -0.939 21.9-154.3-102.9 118.0 3.4 99.1 37.1 33 47 A L E -cd 59 99A 0 65,-3.1 67,-2.7 -2,-0.6 2,-0.5 -0.875 4.6-158.6-102.1 112.7 6.6 98.5 35.0 34 48 A F E - d 0 100A 0 25,-2.8 2,-0.6 -2,-0.6 67,-0.2 -0.854 6.4-167.7 -97.4 124.3 9.4 96.6 36.8 35 49 A L E - d 0 101A 2 65,-2.6 67,-1.6 -2,-0.5 70,-0.2 -0.933 2.1-163.8-120.3 111.2 13.0 97.0 35.4 36 50 A H - 0 0 0 -2,-0.6 2,-0.1 25,-0.5 6,-0.1 -0.280 5.9-157.9 -78.7 174.4 15.8 94.7 36.5 37 51 A G > + 0 0 0 67,-0.2 3,-1.4 4,-0.2 66,-0.1 -0.241 41.6 8.7-127.6-142.6 19.6 95.3 36.0 38 52 A N T 3 S- 0 0 5 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.748 121.6 -10.6 -96.4 131.5 22.9 93.3 35.9 39 53 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 160,-0.1 -0.561 116.2 82.1-109.2 50.2 23.1 90.2 35.8 40 54 A T < - 0 0 2 -3,-1.4 27,-0.3 26,-0.1 2,-0.3 0.086 49.6-158.4-103.9-157.9 19.4 89.5 36.5 41 55 A S > - 0 0 14 25,-0.1 3,-1.9 21,-0.1 4,-0.3 -0.876 56.9 -57.8-162.4-169.6 16.0 89.3 34.8 42 56 A S G > S+ 0 0 2 1,-0.3 3,-1.8 -2,-0.3 4,-0.3 0.703 120.7 79.7 -59.2 -19.5 12.3 89.4 35.7 43 57 A Y G > S+ 0 0 7 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.847 81.2 67.0 -55.5 -33.2 13.1 86.5 38.1 44 58 A L G < S+ 0 0 3 -3,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.765 102.1 46.5 -59.3 -24.3 14.5 89.2 40.5 45 59 A W G X> S+ 0 0 0 -3,-1.8 4,-2.6 -4,-0.3 3,-1.7 0.410 78.9 109.1 -98.7 5.9 10.9 90.5 40.9 46 60 A R T <4 S+ 0 0 4 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.745 84.2 38.0 -57.5 -33.3 9.2 87.1 41.4 47 61 A N T 34 S+ 0 0 29 -3,-0.3 -1,-0.3 -4,-0.2 233,-0.1 0.448 117.2 51.0 -98.1 -1.6 8.3 87.6 45.1 48 62 A I T X> S+ 0 0 0 -3,-1.7 3,-1.9 2,-0.1 4,-0.7 0.815 98.0 63.6 -98.3 -45.0 7.5 91.3 44.8 49 63 A I H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 3,-1.6 0.844 93.1 63.1 -49.2 -42.0 5.0 91.1 41.9 50 64 A P H 34 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.739 99.5 54.8 -60.9 -21.8 2.4 89.0 43.9 51 65 A H H <4 S+ 0 0 62 -3,-1.9 -2,-0.2 2,-0.1 4,-0.1 0.724 118.0 35.0 -77.7 -21.8 1.9 91.8 46.4 52 66 A V H XX S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.7 3,-1.8 0.813 98.9 74.3-102.1 -37.8 1.0 94.2 43.6 53 67 A A T 3< S+ 0 0 20 -4,-2.8 -2,-0.1 1,-0.3 -1,-0.1 0.725 85.6 66.9 -52.2 -32.1 -0.9 92.1 41.0 54 68 A P T 34 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.815 119.1 21.9 -61.3 -27.7 -4.1 92.0 43.2 55 69 A S T <4 S+ 0 0 62 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.699 127.1 28.3-110.6 -24.2 -4.6 95.7 42.6 56 70 A H S < S- 0 0 38 -4,-2.1 -1,-0.2 -27,-0.1 2,-0.1 -0.982 79.5 -97.9-143.2 151.5 -2.6 96.7 39.4 57 71 A R - 0 0 38 -29,-0.4 -25,-2.8 -27,-0.4 2,-0.5 -0.450 40.5-154.3 -63.9 134.5 -1.4 95.3 36.1 58 72 A C E -Bc 24 32A 0 -34,-2.7 -34,-2.1 -27,-0.2 2,-0.4 -0.984 13.4-176.6-118.8 125.9 2.3 94.3 36.5 59 73 A I E +Bc 23 33A 0 -27,-2.7 -25,-2.8 -2,-0.5 -36,-0.2 -0.983 4.6 174.2-124.5 125.8 4.7 94.2 33.5 60 74 A A E -B 22 0A 0 -38,-2.1 -38,-2.0 -2,-0.4 -18,-0.1 -0.848 10.4-166.8-136.7 98.0 8.3 92.9 33.8 61 75 A P E -B 21 0A 1 0, 0.0 2,-0.6 0, 0.0 -25,-0.5 -0.448 22.0-127.1 -80.6 157.2 10.5 92.6 30.7 62 76 A D - 0 0 3 -42,-2.5 -42,-0.3 -2,-0.1 3,-0.1 -0.913 38.5-116.0 -96.0 124.6 13.8 90.8 30.4 63 77 A L > - 0 0 4 -2,-0.6 3,-2.2 1,-0.1 6,-0.3 -0.196 43.3 -80.7 -56.2 154.3 16.3 93.3 28.8 64 78 A I T 3 S+ 0 0 2 1,-0.3 7,-0.2 17,-0.1 -1,-0.1 -0.274 121.2 23.0 -57.9 141.4 17.6 92.5 25.4 65 79 A G T 3 S+ 0 0 1 5,-2.6 -1,-0.3 1,-0.2 2,-0.3 0.417 115.7 83.6 80.4 0.0 20.5 89.9 25.6 66 80 A M S X S- 0 0 0 -3,-2.2 3,-2.1 4,-0.3 -1,-0.2 -0.818 83.3 -6.1-133.4 166.8 19.2 88.7 29.1 67 81 A G T 3 S- 0 0 6 -27,-0.3 -26,-0.1 -2,-0.3 -3,-0.0 -0.240 123.4 -25.8 54.4-131.4 16.7 86.3 30.7 68 82 A K T 3 S+ 0 0 109 -48,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.255 110.9 108.8 -99.0 7.1 14.4 84.7 28.2 69 83 A S S < S- 0 0 1 -3,-2.1 -50,-0.2 -6,-0.3 -6,-0.1 -0.394 82.1 -84.6 -77.1 161.9 14.8 87.5 25.6 70 84 A D - 0 0 51 -52,-3.2 -5,-2.6 -2,-0.1 -4,-0.3 -0.224 33.9-139.6 -62.1 160.4 16.7 87.0 22.4 71 85 A K - 0 0 59 -7,-0.2 -1,-0.1 -6,-0.2 -7,-0.0 -0.595 23.6-177.4-128.4 70.3 20.5 87.5 22.4 72 86 A P - 0 0 19 0, 0.0 2,-1.8 0, 0.0 -55,-0.0 -0.088 42.1 -97.6 -63.4 166.0 21.7 89.3 19.2 73 87 A D S S+ 0 0 163 124,-0.0 2,-0.2 2,-0.0 122,-0.0 -0.560 71.0 143.5 -87.8 75.7 25.4 90.0 18.5 74 88 A L - 0 0 33 -2,-1.8 123,-0.0 1,-0.1 0, 0.0 -0.629 63.5-121.5-107.4 169.5 25.4 93.6 19.8 75 89 A D - 0 0 99 -2,-0.2 -1,-0.1 2,-0.0 126,-0.1 0.712 42.6-140.1 -79.7 -20.3 28.0 95.6 21.6 76 90 A Y + 0 0 9 1,-0.1 2,-0.0 125,-0.1 -2,-0.0 0.840 36.7 167.3 62.9 37.7 25.4 96.1 24.4 77 91 A F >> - 0 0 73 1,-0.1 4,-1.4 124,-0.0 3,-1.1 -0.308 54.9 -99.1 -68.3 164.2 26.2 99.7 25.1 78 92 A F H 3> S+ 0 0 5 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.906 123.9 61.8 -54.6 -41.9 23.6 101.5 27.2 79 93 A D H 3> S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.819 97.6 56.5 -58.2 -32.8 22.2 103.0 24.1 80 94 A D H <> S+ 0 0 24 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.935 109.4 46.3 -62.7 -43.2 21.3 99.6 22.7 81 95 A H H X S+ 0 0 2 -4,-1.4 4,-2.5 -3,-0.2 5,-0.3 0.886 109.6 54.8 -65.0 -37.0 19.3 98.9 25.9 82 96 A V H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.937 109.5 47.5 -61.5 -45.7 17.6 102.4 25.6 83 97 A R H X S+ 0 0 104 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.918 113.6 46.3 -62.9 -44.2 16.5 101.5 22.0 84 98 A Y H X S+ 0 0 13 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.911 114.8 45.3 -68.0 -39.1 15.1 98.1 22.9 85 99 A L H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.908 111.0 53.4 -72.4 -37.1 13.2 99.3 26.0 86 100 A D H X S+ 0 0 43 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.941 113.5 44.3 -58.8 -44.5 11.8 102.4 24.2 87 101 A A H X S+ 0 0 27 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.875 110.5 54.5 -69.8 -35.4 10.4 100.0 21.4 88 102 A F H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.945 107.9 49.7 -59.6 -49.2 9.1 97.5 23.9 89 103 A I H <>S+ 0 0 2 -4,-2.5 5,-1.8 1,-0.2 4,-0.2 0.926 113.2 45.8 -60.0 -43.1 7.1 100.1 25.8 90 104 A E H ><5S+ 0 0 104 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.864 106.8 59.0 -69.8 -34.6 5.5 101.4 22.5 91 105 A A H 3<5S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 106.0 48.6 -63.3 -30.7 4.8 97.9 21.2 92 106 A L T 3<5S- 0 0 30 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.488 111.2-124.9 -85.6 -0.7 2.6 97.2 24.3 93 107 A G T < 5 + 0 0 34 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.806 44.5 174.7 65.2 29.7 0.8 100.6 23.7 94 108 A L < + 0 0 5 -5,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.428 12.5 172.6 -71.8 142.0 1.6 101.9 27.2 95 109 A E + 0 0 127 1,-0.6 2,-0.2 -2,-0.1 -1,-0.1 0.590 64.8 12.4-110.1 -89.8 0.5 105.4 27.9 96 110 A E S S+ 0 0 110 24,-0.1 -1,-0.6 25,-0.0 2,-0.3 -0.646 76.4 177.0 -89.2 147.4 1.0 106.4 31.7 97 111 A V E - e 0 120A 0 22,-2.6 24,-2.6 -2,-0.2 25,-0.6 -0.956 32.4-132.9-143.9 162.2 3.0 104.1 33.9 98 112 A V E -de 32 122A 2 -67,-2.2 -65,-3.1 -2,-0.3 2,-0.4 -0.978 32.2-142.4-110.2 131.5 4.4 103.7 37.5 99 113 A L E -de 33 123A 2 23,-2.3 25,-3.2 -2,-0.4 2,-0.5 -0.813 18.8-174.0 -98.3 137.8 8.1 102.6 37.4 100 114 A V E +de 34 124A 0 -67,-2.7 -65,-2.6 -2,-0.4 2,-0.3 -0.974 29.6 176.2-126.6 113.2 9.7 100.1 39.9 101 115 A I E -de 35 125A 0 23,-2.7 25,-1.0 -2,-0.5 2,-0.3 -0.908 25.1-177.9-136.8 151.7 13.4 100.1 39.1 102 116 A H E >> - e 0 126A 0 -67,-1.6 3,-2.0 -2,-0.3 4,-0.5 -0.998 56.9 -37.2-140.7 141.0 16.9 98.8 40.1 103 117 A D H >> S+ e 0 128A 11 24,-1.3 4,-1.5 23,-0.8 3,-1.0 -0.143 132.4 0.8 49.6-126.2 20.6 99.2 39.0 104 118 A W H 3> S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.777 132.2 63.5 -66.7 -22.3 20.8 99.6 35.1 105 119 A G H <> S+ 0 0 0 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.831 102.5 51.1 -64.4 -31.2 17.0 99.2 35.2 106 120 A S H < + 0 0 28 -4,-1.3 3,-1.8 -3,-0.4 4,-0.2 -0.385 69.9 155.8-139.5 57.5 8.5 111.4 28.9 117 131 A P G > + 0 0 63 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.801 69.8 60.4 -59.5 -32.4 7.7 113.2 32.1 118 132 A E G 3 S+ 0 0 129 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.648 102.5 55.0 -71.1 -11.8 3.9 113.5 31.5 119 133 A R G < S+ 0 0 41 -3,-1.8 -22,-2.6 -6,-0.2 2,-0.6 0.383 87.6 86.7-102.7 3.9 3.7 109.7 31.4 120 134 A V E < +e 97 0A 15 -3,-1.3 -22,-0.2 -4,-0.2 3,-0.1 -0.923 43.8 175.1-111.6 115.6 5.3 108.8 34.8 121 135 A K E - 0 0 59 -24,-2.6 2,-0.3 -2,-0.6 -23,-0.2 0.627 68.9 -13.6 -91.4 -17.5 2.9 108.8 37.7 122 136 A G E -e 98 0A 0 -25,-0.6 -23,-2.3 109,-0.1 2,-0.4 -0.933 56.1-141.4-175.2 157.2 5.3 107.6 40.4 123 137 A I E -ef 99 233A 0 109,-2.2 111,-2.4 -2,-0.3 2,-0.5 -0.971 8.3-171.5-135.9 118.7 8.8 106.0 40.7 124 138 A A E +ef 100 234A 0 -25,-3.2 -23,-2.7 -2,-0.4 2,-0.3 -0.940 25.7 169.5-103.1 129.2 9.8 103.3 43.3 125 139 A C E +ef 101 235A 4 109,-2.8 111,-2.4 -2,-0.5 2,-0.3 -0.904 20.1 179.3-140.5 167.5 13.6 102.8 43.2 126 140 A M E +ef 102 236A 0 -25,-1.0 -23,-0.8 -2,-0.3 111,-0.1 -0.939 69.2 2.8-166.1 142.0 16.4 101.0 45.1 127 141 A E E S+ 0 0 0 109,-0.6 -24,-1.3 -2,-0.3 -21,-0.2 0.889 87.8 178.2 42.6 55.1 20.2 100.7 44.7 128 142 A F E -e 103 0A 0 -26,-0.2 2,-0.4 -22,-0.1 -1,-0.1 -0.408 33.6 -95.1 -96.0 161.4 20.2 103.0 41.6 129 143 A I + 0 0 2 -26,-0.7 -1,-0.1 -2,-0.1 115,-0.0 -0.640 52.3 151.8 -80.9 126.9 22.8 104.4 39.3 130 144 A R - 0 0 19 -2,-0.4 2,-0.2 77,-0.1 90,-0.1 -0.895 57.0 -74.0-143.0 164.0 24.1 107.9 40.1 131 145 A P - 0 0 24 0, 0.0 77,-0.2 0, 0.0 75,-0.0 -0.494 40.7-152.2 -66.3 130.3 27.5 109.5 39.5 132 146 A I B -h 208 0B 6 75,-2.7 77,-2.7 -2,-0.2 78,-0.3 -0.906 7.7-158.0-103.0 108.7 30.1 108.0 41.8 133 147 A P + 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.821 64.5 0.4 -57.8 -37.8 32.7 110.8 42.2 134 148 A T S > S- 0 0 59 75,-0.1 3,-1.3 74,-0.1 4,-0.3 -0.956 71.3-107.9-147.2 162.0 35.7 108.9 43.3 135 149 A W G > S+ 0 0 60 -2,-0.3 3,-1.5 1,-0.2 12,-0.0 0.770 112.2 73.6 -63.4 -24.2 36.7 105.3 44.0 136 150 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.2 3,-0.0 4,-0.2 0.825 93.8 54.8 -56.1 -33.3 36.8 106.2 47.7 137 151 A E G < S+ 0 0 84 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.569 87.9 88.1 -80.4 -11.7 32.9 106.2 47.5 138 152 A W S < S- 0 0 5 -3,-1.5 5,-0.1 -4,-0.3 105,-0.1 -0.748 97.2 -98.8 -84.5 133.7 32.7 102.7 46.1 139 153 A P >> - 0 0 31 0, 0.0 3,-1.6 0, 0.0 4,-0.9 -0.228 25.6-125.1 -59.2 136.4 32.6 100.2 49.1 140 154 A E H >> S+ 0 0 129 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.823 103.7 60.5 -49.2 -42.6 35.9 98.6 50.0 141 155 A F H 34 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.796 119.7 28.6 -62.2 -23.8 34.7 94.9 49.8 142 156 A A H <> S+ 0 0 8 -3,-1.6 4,-2.1 2,-0.1 -1,-0.2 0.401 96.0 94.1-115.7 1.4 33.9 95.4 46.1 143 157 A R H S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.945 110.1 44.8 -64.7 -49.2 37.0 93.7 41.9 146 160 A F H X S+ 0 0 18 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.865 111.3 54.6 -64.2 -32.3 35.1 96.5 40.1 147 161 A Q H < S+ 0 0 65 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.910 108.8 48.9 -64.3 -37.8 38.4 98.2 39.2 148 162 A A H >< S+ 0 0 22 -4,-2.1 3,-1.7 1,-0.2 7,-0.2 0.856 104.6 58.0 -69.9 -35.7 39.5 94.8 37.6 149 163 A F H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.833 109.5 46.7 -62.0 -29.4 36.2 94.6 35.6 150 164 A R T 3< S+ 0 0 52 -4,-1.2 2,-0.4 -3,-0.2 -1,-0.3 0.180 92.4 100.1 -96.9 13.2 37.1 97.9 34.1 151 165 A T S <> S- 0 0 72 -3,-1.7 4,-2.4 -5,-0.1 5,-0.3 -0.874 86.6 -97.3-102.7 130.3 40.8 97.0 33.3 152 166 A A T 4 S- 0 0 84 -2,-0.4 2,-2.2 1,-0.2 -2,-0.1 -0.159 98.3 -10.4 -48.0 134.8 41.7 96.0 29.7 153 167 A D T > S+ 0 0 117 1,-0.2 4,-2.3 -4,-0.1 -1,-0.2 -0.306 125.4 73.7 71.0 -51.2 41.8 92.2 29.1 154 168 A V H > S+ 0 0 60 -2,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.917 94.8 51.1 -57.3 -46.0 41.6 91.3 32.9 155 169 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 -7,-0.2 5,-0.3 0.863 109.7 48.0 -63.9 -38.5 37.9 92.3 33.1 156 170 A R H >>S+ 0 0 89 -5,-0.3 4,-2.0 2,-0.2 5,-1.7 0.885 109.5 53.8 -69.4 -37.1 36.8 90.1 30.1 157 171 A E H <>S+ 0 0 95 -4,-2.3 5,-1.7 3,-0.2 -2,-0.2 0.940 114.6 41.8 -62.5 -43.0 38.7 87.1 31.5 158 172 A L H <5S+ 0 0 44 -4,-2.1 6,-2.6 -5,-0.2 -2,-0.2 0.963 126.1 30.1 -68.1 -50.4 36.9 87.5 34.8 159 173 A I H <5S+ 0 0 0 -4,-2.8 6,-0.3 4,-0.2 4,-0.3 0.905 131.1 28.3 -83.0 -41.1 33.3 88.2 33.5 160 174 A I T <5S+ 0 0 15 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.950 130.0 32.4 -86.8 -55.4 33.2 86.4 30.2 161 175 A D T > + 0 0 10 -4,-0.3 4,-2.8 -6,-0.2 3,-0.7 0.826 44.2 163.1 57.3 41.3 31.4 84.2 34.7 164 178 A A H 3>> + 0 0 23 -6,-2.6 5,-2.0 1,-0.3 4,-1.7 0.710 64.0 59.8 -65.8 -23.8 32.4 86.3 37.7 165 179 A F H 34>S+ 0 0 9 -6,-0.3 5,-1.7 3,-0.2 -1,-0.3 0.877 115.8 33.5 -72.4 -35.7 29.4 88.5 37.7 166 180 A I H <45S+ 0 0 0 -3,-0.7 -2,-0.2 -7,-0.2 -1,-0.1 0.921 127.4 38.0 -81.1 -46.2 27.0 85.6 38.1 167 181 A E H <5S+ 0 0 87 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.761 133.4 18.2 -78.6 -25.9 29.2 83.4 40.3 168 182 A G T X5S+ 0 0 23 -4,-1.7 4,-2.1 -5,-0.3 -3,-0.2 0.830 123.0 41.1-108.3 -64.1 30.8 86.1 42.4 169 183 A V H >44 S+ 0 0 44 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.886 115.7 56.3 -66.2 -31.8 25.7 85.9 45.7 172 186 A K H 3< S+ 0 0 152 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.669 105.5 53.9 -73.4 -12.4 28.2 88.2 47.5 173 187 A C T << S+ 0 0 7 -4,-1.2 97,-1.8 -3,-1.0 96,-1.6 0.088 94.5 76.3-110.1 22.6 25.7 91.1 47.2 174 188 A V < - 0 0 7 -3,-1.4 4,-0.1 94,-0.2 93,-0.1 -0.996 69.4-150.9-124.8 131.6 22.8 89.3 48.9 175 189 A V S S+ 0 0 78 -2,-0.4 -1,-0.1 91,-0.1 92,-0.1 0.964 81.0 59.7 -70.5 -49.4 23.0 89.0 52.7 176 190 A R S S- 0 0 45 90,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.354 103.4 -94.1 -75.7 155.2 21.1 85.8 53.1 177 191 A P - 0 0 114 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.538 35.6-131.8 -73.1 133.7 22.5 82.7 51.3 178 192 A L - 0 0 27 -2,-0.3 2,-0.2 -4,-0.1 -4,-0.0 -0.586 22.4-126.2 -82.2 149.7 21.1 81.9 47.8 179 193 A T > - 0 0 57 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.473 20.4-108.5 -92.1 164.3 19.9 78.4 47.1 180 194 A E H > S+ 0 0 131 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.892 118.4 52.5 -59.9 -39.3 21.0 76.1 44.2 181 195 A V H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 111.4 47.1 -67.4 -40.2 17.6 76.4 42.4 182 196 A E H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.940 114.3 46.3 -64.9 -47.2 17.8 80.2 42.5 183 197 A M H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.891 110.5 52.8 -64.9 -37.6 21.4 80.4 41.3 184 198 A D H X S+ 0 0 84 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.861 106.5 54.0 -66.4 -31.9 20.7 77.9 38.5 185 199 A H H < S+ 0 0 86 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.929 111.8 45.1 -63.1 -45.2 17.8 80.1 37.4 186 200 A Y H < S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.838 113.2 50.5 -69.2 -27.8 20.2 83.1 37.2 187 201 A R H >< S+ 0 0 49 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.798 89.6 83.6 -76.5 -27.5 22.9 81.0 35.4 188 202 A E G >< S+ 0 0 117 -4,-1.7 3,-1.0 1,-0.3 -1,-0.2 0.803 85.1 51.6 -54.1 -41.4 20.5 79.6 32.7 189 203 A P G 3 S+ 0 0 25 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 0.715 112.4 48.5 -67.3 -16.0 20.6 82.5 30.2 190 204 A F G < + 0 0 1 -3,-2.0 -2,-0.2 -4,-0.2 6,-0.1 0.056 64.0 117.6-118.7 26.8 24.4 82.6 30.2 191 205 A L S < S+ 0 0 105 -3,-1.0 -1,-0.2 -4,-0.1 -3,-0.1 0.711 71.4 67.9 -66.3 -19.6 25.5 78.9 29.6 192 206 A K S > S- 0 0 136 -3,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.894 83.6-144.9 -99.1 114.3 27.2 80.0 26.3 193 207 A P G > S+ 0 0 65 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.837 94.2 62.9 -48.0 -40.2 30.1 82.3 27.2 194 208 A V G > S+ 0 0 103 1,-0.3 3,-1.3 2,-0.1 -33,-0.0 0.835 93.4 65.2 -59.8 -25.9 29.8 84.6 24.2 195 209 A D G < S+ 0 0 32 -3,-1.8 -1,-0.3 1,-0.3 4,-0.2 0.544 81.3 80.6 -74.6 -1.5 26.3 85.6 25.6 196 210 A R G X> + 0 0 26 -3,-2.4 4,-1.0 -4,-0.3 3,-0.9 0.462 58.9 106.5 -83.8 3.4 28.0 87.2 28.7 197 211 A E H X> S+ 0 0 31 -3,-1.3 4,-2.4 1,-0.3 3,-1.1 0.871 76.0 50.7 -48.6 -49.5 28.9 90.4 26.7 198 212 A P H 3> S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.841 104.2 59.9 -60.8 -29.2 26.2 92.6 28.4 199 213 A L H <4 S+ 0 0 0 -3,-0.9 -2,-0.2 -4,-0.2 -3,-0.1 0.755 111.9 39.1 -69.9 -25.0 27.4 91.5 31.8 200 214 A W H X S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.2 4,-0.7 0.916 103.7 44.0 -52.0 -56.8 27.5 97.2 32.1 203 217 A P H 34 S+ 0 0 0 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.822 111.0 57.2 -62.0 -24.9 30.2 97.6 34.7 204 218 A N H 3< S+ 0 0 32 -4,-1.1 -2,-0.2 -3,-0.4 -3,-0.1 0.560 105.2 51.8 -77.1 -8.4 32.3 99.4 32.1 205 219 A E H << S+ 0 0 6 -3,-1.8 -1,-0.2 -4,-0.7 -3,-0.1 0.552 77.9 117.7-101.0 -10.9 29.5 101.9 31.6 206 220 A I S < S- 0 0 8 -4,-0.7 2,-1.1 -3,-0.5 5,-0.1 -0.331 74.5-117.8 -61.1 131.8 29.0 102.8 35.4 207 221 A P + 0 0 1 0, 0.0 -75,-2.7 0, 0.0 2,-0.4 -0.607 51.8 158.8 -74.8 96.2 29.8 106.6 35.8 208 222 A I B > -hI 132 211B 3 3,-2.4 3,-1.8 -2,-1.1 -73,-0.1 -0.986 66.6 -15.4-125.4 126.4 32.9 106.6 38.2 209 223 A A T 3 S- 0 0 52 -77,-2.7 -1,-0.1 -2,-0.4 -75,-0.1 0.850 128.7 -52.8 51.9 38.5 35.4 109.4 38.5 210 224 A G T 3 S+ 0 0 43 -78,-0.3 -1,-0.3 1,-0.2 6,-0.1 0.465 98.6 151.9 81.0 5.6 34.0 111.0 35.3 211 225 A E B < +I 208 0B 132 -3,-1.8 -3,-2.4 1,-0.2 -1,-0.2 -0.958 54.7 27.6-128.6 140.1 34.4 107.9 33.0 212 226 A P S >> S- 0 0 31 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.496 79.2-156.2 -78.6 138.7 32.9 107.0 30.6 213 227 A A H 3> S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.826 86.2 56.0 -53.5 -36.4 32.1 110.7 29.8 214 228 A N H 3> S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 112.5 41.8 -66.4 -38.7 29.0 110.0 27.6 215 229 A I H <> S+ 0 0 3 -3,-0.6 4,-2.7 2,-0.2 5,-0.3 0.898 110.5 56.8 -75.4 -38.6 27.3 108.0 30.4 216 230 A V H X S+ 0 0 23 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.954 108.7 48.5 -55.5 -46.7 28.4 110.5 33.1 217 231 A A H X S+ 0 0 64 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.929 112.1 47.9 -61.3 -40.4 26.6 113.3 31.1 218 232 A L H X S+ 0 0 37 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.909 114.5 45.3 -66.7 -42.7 23.4 111.3 30.6 219 233 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.886 110.3 53.7 -70.4 -39.8 23.2 110.3 34.3 220 234 A E H X S+ 0 0 89 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.901 109.6 51.8 -59.9 -38.3 24.0 113.9 35.5 221 235 A A H X S+ 0 0 38 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.920 110.4 44.1 -67.3 -43.6 21.1 115.0 33.3 222 236 A Y H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.843 112.0 54.5 -74.0 -25.9 18.5 112.6 34.6 223 237 A M H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.905 107.4 50.0 -67.9 -38.6 19.6 113.4 38.2 224 238 A N H X S+ 0 0 107 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.925 112.5 48.0 -65.0 -38.1 19.1 117.1 37.6 225 239 A W H >X S+ 0 0 52 -4,-2.0 4,-1.3 1,-0.2 3,-0.9 0.947 110.9 51.5 -63.3 -46.4 15.6 116.3 36.3 226 240 A L H 3< S+ 0 0 1 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.886 105.3 54.6 -60.8 -38.3 14.9 114.0 39.3 227 241 A H H 3< S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.729 115.3 39.6 -67.0 -23.7 15.9 116.7 41.8 228 242 A Q H << S+ 0 0 160 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.524 93.9 104.2-101.0 -9.2 13.4 119.2 40.2 229 243 A S < - 0 0 11 -4,-1.3 -4,-0.0 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T E S+ g 0 266A 69 26,-1.8 28,-1.9 -2,-0.3 29,-0.0 -0.981 113.0 0.1-117.6 126.0 22.5 98.5 55.5 240 254 A P E S+ g 0 267A 76 0, 0.0 -1,-0.2 0, 0.0 28,-0.2 -0.998 93.6 179.8 -84.8 -3.6 25.3 98.6 54.4 241 255 A G - 0 0 3 26,-2.8 28,-0.2 4,-0.2 -2,-0.1 -0.108 25.0-131.9 70.4-178.3 24.1 98.9 50.9 242 256 A V S S+ 0 0 13 26,-0.5 27,-0.1 27,-0.1 -100,-0.0 0.366 93.6 16.0-135.3 -70.0 26.4 99.3 47.8 243 257 A L S S+ 0 0 8 1,-0.2 26,-0.1 25,-0.2 -2,-0.1 0.811 138.0 36.2 -79.1 -27.4 25.4 102.1 45.5 244 258 A I S S- 0 0 0 24,-0.3 -6,-0.4 4,-0.0 -1,-0.2 -0.686 77.9-175.3-127.6 79.0 23.1 103.8 48.1 245 259 A P >> - 0 0 40 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.240 45.5 -94.4 -68.3 163.7 24.6 103.4 51.6 246 260 A P H 3> S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.866 126.1 52.6 -46.1 -43.8 22.5 104.7 54.6 247 261 A A H 3> S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.850 110.3 48.5 -65.2 -33.6 24.2 108.1 54.6 248 262 A E H <> S+ 0 0 21 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.887 108.7 52.5 -71.8 -40.5 23.4 108.6 50.9 249 263 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