==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAR-12 4E46 . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS RHODOCHROUS; . AUTHOR A.STSIAPANAVA,R.CHALOUPKOVA,J.DAMBORSKY,I.KUTA SMATANOVA . 292 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.6 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 29.5 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 4 0 1 1 1 1 1 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 4 A I 0 0 103 0, 0.0 2,-0.0 0, 0.0 272,-0.0 0.000 360.0 360.0 360.0 125.9 12.9 13.8 -4.7 2 5 A G - 0 0 36 1,-0.1 45,-0.1 45,-0.0 44,-0.0 -0.305 360.0-171.0 -71.5 144.4 9.8 15.6 -6.0 3 6 A T + 0 0 50 43,-0.1 -1,-0.1 -2,-0.0 182,-0.1 0.526 56.4 93.8-104.9 -14.4 7.2 16.9 -3.6 4 7 A G - 0 0 38 42,-0.0 -2,-0.0 2,-0.0 178,-0.0 -0.301 62.4-144.8 -80.8 169.2 4.5 17.9 -6.1 5 8 A F + 0 0 33 -2,-0.1 2,-1.7 42,-0.0 38,-0.0 -0.689 20.5 176.3-131.4 77.4 1.5 15.8 -7.3 6 9 A P + 0 0 108 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.371 38.9 117.3 -88.7 58.9 1.1 16.8 -11.0 7 10 A F - 0 0 25 -2,-1.7 17,-0.1 17,-0.0 -2,-0.0 -0.991 63.8-125.1-127.7 126.9 -1.7 14.3 -11.7 8 11 A D - 0 0 124 -2,-0.4 15,-0.4 1,-0.1 2,-0.2 -0.367 35.7-107.9 -66.8 142.5 -5.2 15.3 -12.7 9 12 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 13,-0.1 -0.506 33.7-173.7 -74.5 137.4 -8.0 13.9 -10.5 10 13 A H E -A 21 0A 63 11,-1.2 11,-2.3 -2,-0.2 2,-0.3 -0.972 5.5-167.1-121.7 147.7 -10.3 11.1 -11.7 11 14 A Y E -A 20 0A 85 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.976 9.9-173.6-135.9 146.7 -13.3 9.9 -9.8 12 15 A V E -A 19 0A 26 7,-1.9 7,-2.8 -2,-0.3 2,-0.6 -0.999 27.0-124.7-137.4 141.2 -15.5 6.9 -10.0 13 16 A E E +A 18 0A 128 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.771 37.6 169.2 -85.2 114.5 -18.7 6.2 -8.0 14 17 A V E > -A 17 0A 6 3,-3.1 3,-1.9 -2,-0.6 74,-0.1 -0.998 64.2 -13.5-130.7 123.6 -18.4 2.9 -6.2 15 18 A L T 3 S- 0 0 83 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.891 129.8 -50.2 52.7 43.7 -20.8 1.5 -3.5 16 19 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.459 123.4 88.8 79.3 1.6 -22.3 5.0 -3.0 17 20 A E E < S-A 14 0A 52 -3,-1.9 -3,-3.1 53,-0.1 2,-0.4 -0.957 73.8-115.4-139.0 148.3 -19.0 6.8 -2.7 18 21 A R E -A 13 0A 81 -2,-0.3 52,-3.0 -5,-0.2 2,-0.5 -0.705 22.7-162.0 -87.3 132.1 -16.5 8.5 -4.9 19 22 A M E -A 12 0A 1 -7,-2.8 -7,-1.9 -2,-0.4 2,-0.3 -0.952 11.3-142.8-110.3 134.1 -13.0 7.1 -5.2 20 23 A H E +A 11 0A 0 -2,-0.5 42,-2.9 42,-0.3 2,-0.3 -0.689 25.6 172.6 -87.8 147.1 -10.2 9.3 -6.5 21 24 A Y E -AB 10 61A 27 -11,-2.3 -11,-1.2 -2,-0.3 2,-0.3 -0.989 34.2-121.8-152.6 148.3 -7.5 7.9 -8.7 22 25 A V E + B 0 60A 0 38,-1.9 38,-1.9 -2,-0.3 2,-0.3 -0.697 30.8 179.3 -75.5 139.1 -4.6 8.8 -10.9 23 26 A D E + B 0 59A 31 -15,-0.4 2,-0.3 -2,-0.3 36,-0.2 -0.812 15.7 145.0-148.1 102.7 -5.0 7.6 -14.5 24 27 A V E + B 0 58A 41 34,-1.9 34,-2.6 -2,-0.3 -17,-0.0 -0.881 32.0 44.1-132.8 162.1 -2.2 8.4 -17.0 25 28 A G 0 0 44 -2,-0.3 32,-0.2 32,-0.3 28,-0.1 -0.153 360.0 360.0 94.7 174.6 -0.6 6.7 -19.9 26 29 A P 0 0 69 0, 0.0 31,-0.4 0, 0.0 3,-0.3 -0.241 360.0 360.0 -65.6 360.0 -1.8 4.8 -23.0 27 ! 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 28 31 A D 0 0 179 0, 0.0 2,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 20.8 -4.5 0.1 -25.3 29 32 A G - 0 0 58 -3,-0.3 27,-0.1 1,-0.0 0, 0.0 -0.380 360.0 -49.9-134.1-152.6 -2.4 -2.3 -23.2 30 33 A T - 0 0 19 -2,-0.1 27,-0.2 64,-0.1 67,-0.2 -0.838 58.2-135.3 -95.6 121.1 -2.1 -3.9 -19.8 31 34 A P - 0 0 9 0, 0.0 67,-2.4 0, 0.0 2,-0.6 -0.395 3.5-131.1 -78.1 157.4 -2.4 -1.3 -17.0 32 35 A V E -cd 58 98A 0 25,-2.7 27,-2.9 65,-0.2 2,-0.6 -0.953 20.3-156.0-108.3 119.3 -0.3 -1.1 -13.9 33 36 A L E -cd 59 99A 0 65,-2.9 67,-2.5 -2,-0.6 2,-0.5 -0.893 3.9-158.7-105.4 117.4 -2.3 -0.7 -10.7 34 37 A F E - d 0 100A 0 25,-2.8 2,-0.6 -2,-0.6 67,-0.2 -0.858 6.2-167.0-102.1 122.9 -0.6 0.9 -7.8 35 38 A L E - d 0 101A 1 65,-2.6 67,-1.5 -2,-0.5 70,-0.2 -0.943 2.6-163.3-122.0 111.5 -2.0 0.2 -4.3 36 39 A H - 0 0 0 -2,-0.6 2,-0.1 25,-0.5 6,-0.1 -0.293 5.8-156.7 -78.5 172.0 -0.9 2.3 -1.3 37 40 A G > + 0 0 0 67,-0.2 3,-1.3 4,-0.2 -1,-0.1 -0.187 41.4 5.5-127.3-144.4 -1.3 1.4 2.4 38 41 A N T 3 S- 0 0 2 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.793 121.4 -10.0 -96.3 135.7 -1.5 3.1 5.8 39 42 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 160,-0.1 -0.551 116.0 84.5-104.5 48.0 -1.6 6.1 6.2 40 43 A T < - 0 0 2 -3,-1.3 27,-0.3 26,-0.1 2,-0.3 0.045 49.4-159.5-101.9-159.7 -0.7 7.1 2.7 41 44 A S > - 0 0 11 25,-0.1 3,-2.2 21,-0.1 4,-0.3 -0.891 56.8 -58.8-162.3-174.1 -2.5 7.7 -0.7 42 45 A S G > S+ 0 0 2 1,-0.3 3,-1.8 -2,-0.3 4,-0.3 0.729 120.7 81.0 -54.7 -20.7 -1.6 7.8 -4.4 43 46 A Y G > S+ 0 0 6 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.826 80.3 66.3 -52.9 -33.9 0.8 10.6 -3.3 44 47 A L G < S+ 0 0 2 -3,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.761 102.3 45.6 -61.1 -25.5 3.2 7.8 -2.3 45 48 A W G X> S+ 0 0 0 -3,-1.8 4,-2.7 -4,-0.3 3,-1.5 0.375 79.4 109.1 -96.8 2.9 3.6 6.8 -5.9 46 49 A R T <4 S+ 0 0 2 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.754 84.6 38.3 -58.2 -32.6 4.0 10.3 -7.3 47 50 A N T 34 S+ 0 0 29 -3,-0.3 -1,-0.3 -4,-0.2 233,-0.1 0.436 117.2 51.4 -98.8 -2.9 7.8 9.8 -8.1 48 51 A I T X> S+ 0 0 0 -3,-1.5 3,-1.8 2,-0.1 4,-0.7 0.828 97.5 63.6 -96.7 -46.5 7.4 6.2 -9.3 49 52 A I H >X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 3,-1.3 0.842 91.7 65.1 -49.2 -43.2 4.6 6.7 -11.8 50 53 A P H 34 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.768 100.0 52.8 -58.4 -24.0 6.6 9.0 -14.1 51 54 A H H <4 S+ 0 0 59 -3,-1.8 -2,-0.2 2,-0.1 4,-0.1 0.764 117.9 35.5 -75.2 -27.1 9.0 6.1 -14.9 52 55 A V H XX S+ 0 0 0 -3,-1.3 4,-2.1 -4,-0.7 3,-1.9 0.824 99.3 74.9 -96.4 -38.8 6.2 3.7 -15.9 53 56 A A T 3< S+ 0 0 23 -4,-2.8 -2,-0.1 1,-0.3 -1,-0.1 0.749 84.1 68.0 -49.3 -36.4 3.7 6.1 -17.6 54 57 A P T 34 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.834 119.7 18.7 -54.6 -34.1 5.8 6.4 -20.8 55 58 A S T <4 S+ 0 0 62 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.666 128.0 32.0-110.6 -24.4 5.1 2.8 -21.6 56 59 A H S < S- 0 0 36 -4,-2.1 -1,-0.2 -27,-0.1 2,-0.1 -0.984 79.5 -99.4-142.1 148.6 2.1 1.7 -19.6 57 60 A R - 0 0 67 -31,-0.4 -25,-2.7 -2,-0.3 2,-0.5 -0.447 36.7-152.3 -61.3 138.9 -1.1 3.0 -18.2 58 61 A C E -Bc 24 32A 0 -34,-2.6 -34,-1.9 -27,-0.2 2,-0.5 -0.987 13.4-176.7-118.9 120.8 -0.8 3.8 -14.5 59 62 A I E +Bc 23 33A 0 -27,-2.9 -25,-2.8 -2,-0.5 -36,-0.2 -0.987 5.2 173.5-117.6 121.6 -3.8 3.6 -12.3 60 63 A A E -B 22 0A 0 -38,-1.9 -38,-1.9 -2,-0.5 -18,-0.1 -0.827 11.5-166.8-133.7 93.4 -3.4 4.6 -8.6 61 64 A P E -B 21 0A 1 0, 0.0 2,-0.6 0, 0.0 -25,-0.5 -0.450 21.7-127.3 -75.1 154.4 -6.5 4.8 -6.5 62 65 A D - 0 0 1 -42,-2.9 -42,-0.3 -2,-0.1 3,-0.1 -0.881 37.5-116.4 -90.5 122.4 -6.9 6.3 -3.1 63 66 A L > - 0 0 2 -2,-0.6 3,-2.2 1,-0.1 6,-0.3 -0.190 45.2 -77.7 -57.7 153.8 -8.4 3.7 -0.9 64 67 A I T 3 S+ 0 0 0 1,-0.3 -1,-0.1 17,-0.1 7,-0.1 -0.220 121.9 18.8 -54.9 139.0 -11.9 4.5 0.5 65 68 A G T 3 S+ 0 0 1 5,-2.2 2,-0.3 1,-0.2 -1,-0.3 0.518 115.8 87.8 75.9 3.6 -11.6 6.9 3.4 66 69 A M S X S- 0 0 0 -3,-2.2 3,-2.2 4,-0.2 -1,-0.2 -0.856 83.0 -5.6-129.9 163.6 -8.1 8.0 2.3 67 70 A G T 3 S- 0 0 9 -27,-0.3 -26,-0.1 -2,-0.3 -3,-0.0 -0.269 125.9 -26.0 58.1-137.6 -6.5 10.5 -0.0 68 71 A K T 3 S+ 0 0 80 -48,-0.1 -1,-0.3 2,-0.0 -47,-0.1 0.287 109.8 113.6 -92.8 5.6 -9.0 12.4 -2.1 69 72 A S S < S- 0 0 6 -3,-2.2 -50,-0.2 -6,-0.3 -6,-0.1 -0.326 76.7 -88.7 -72.8 161.8 -11.6 9.6 -1.9 70 73 A D - 0 0 49 -52,-3.0 -5,-2.2 1,-0.1 -4,-0.2 -0.158 31.2-129.8 -68.7 166.7 -14.9 10.1 -0.0 71 74 A K - 0 0 75 -7,-0.1 -1,-0.1 -6,-0.1 -7,-0.0 -0.617 24.7-178.7-125.6 67.5 -15.2 9.3 3.7 72 75 A P - 0 0 14 0, 0.0 2,-1.9 0, 0.0 -55,-0.0 -0.279 44.1-106.2 -59.9 154.1 -18.2 7.1 4.4 73 76 A D + 0 0 160 124,-0.0 2,-0.2 2,-0.0 122,-0.0 -0.565 67.3 150.7 -86.1 77.2 -18.5 6.5 8.2 74 77 A L - 0 0 33 -2,-1.9 123,-0.0 1,-0.1 0, 0.0 -0.605 62.7-120.8-100.6 167.0 -17.3 2.9 8.0 75 78 A D - 0 0 96 -2,-0.2 -1,-0.1 126,-0.0 126,-0.1 0.750 44.6-140.6 -72.6 -24.8 -15.5 0.7 10.5 76 79 A Y + 0 0 8 1,-0.1 -3,-0.0 125,-0.1 -2,-0.0 0.839 36.3 168.5 64.4 36.7 -12.8 0.5 7.7 77 80 A F >> - 0 0 66 1,-0.1 4,-1.7 127,-0.0 3,-0.9 -0.309 53.8-101.6 -60.7 159.8 -12.1 -3.2 8.3 78 81 A F H 3> S+ 0 0 2 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.911 124.9 60.8 -50.0 -42.7 -10.0 -4.9 5.6 79 82 A D H 3> S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.842 100.2 54.3 -59.3 -33.6 -13.2 -6.4 4.3 80 83 A D H <> S+ 0 0 21 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.940 109.3 47.5 -61.9 -46.2 -14.5 -2.9 3.6 81 84 A H H X S+ 0 0 1 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.881 109.1 54.6 -62.3 -37.4 -11.4 -2.0 1.6 82 85 A V H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.934 109.0 48.1 -60.2 -47.2 -11.8 -5.3 -0.3 83 86 A R H X S+ 0 0 102 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.934 114.8 44.6 -59.4 -49.4 -15.3 -4.5 -1.3 84 87 A Y H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.921 116.3 45.0 -66.5 -44.7 -14.5 -1.0 -2.4 85 88 A L H X S+ 0 0 4 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.908 110.8 53.5 -68.1 -38.7 -11.3 -2.0 -4.4 86 89 A D H X S+ 0 0 42 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.932 113.1 44.4 -56.3 -46.1 -13.0 -4.9 -6.0 87 90 A A H X S+ 0 0 26 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.896 110.6 54.9 -68.3 -39.3 -15.8 -2.6 -7.2 88 91 A F H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.927 107.9 49.3 -54.6 -51.4 -13.2 0.1 -8.3 89 92 A I H <>S+ 0 0 1 -4,-2.5 5,-1.8 1,-0.2 4,-0.3 0.930 114.3 44.3 -61.1 -43.4 -11.4 -2.4 -10.5 90 93 A E H ><5S+ 0 0 106 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.883 108.0 58.9 -70.0 -36.1 -14.6 -3.6 -12.2 91 94 A A H 3<5S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.842 105.9 49.1 -61.5 -32.9 -15.9 -0.1 -12.6 92 95 A L T 3<5S- 0 0 29 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.467 111.9-123.2 -84.2 -2.7 -12.8 0.7 -14.7 93 96 A G T < 5 + 0 0 49 -3,-1.6 -3,-0.2 -4,-0.3 2,-0.2 0.773 46.4 173.4 69.8 27.1 -13.3 -2.4 -16.8 94 97 A L < + 0 0 8 -5,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.456 12.1 169.8 -70.7 140.3 -9.9 -3.7 -16.0 95 98 A E + 0 0 154 1,-0.5 2,-0.3 -2,-0.2 -1,-0.1 0.619 65.2 12.6-110.1 -94.9 -9.2 -7.2 -17.3 96 99 A E S S+ 0 0 74 24,-0.1 -1,-0.5 25,-0.0 2,-0.3 -0.625 76.6 176.5 -84.5 147.2 -5.5 -8.2 -16.9 97 100 A V E - e 0 120A 0 22,-2.9 24,-2.9 -2,-0.3 25,-0.6 -0.949 32.8-131.5-140.2 162.0 -3.2 -6.0 -14.8 98 101 A V E -de 32 122A 4 -67,-2.4 -65,-2.9 -2,-0.3 2,-0.4 -0.971 33.4-141.7-105.9 133.9 0.2 -5.7 -13.4 99 102 A L E -de 33 123A 1 23,-2.4 25,-3.1 -2,-0.4 2,-0.4 -0.826 19.2-173.8 -99.3 140.9 0.2 -4.9 -9.6 100 103 A V E +de 34 124A 0 -67,-2.5 -65,-2.6 -2,-0.4 2,-0.3 -0.984 29.1 175.9-129.3 109.3 2.5 -2.6 -7.8 101 104 A I E +de 35 125A 0 23,-2.6 25,-1.0 -2,-0.4 2,-0.3 -0.914 24.0 179.2-136.8 151.0 1.8 -2.9 -4.1 102 105 A H E >> - e 0 126A 0 -67,-1.5 3,-2.0 -2,-0.3 4,-0.6 -0.997 57.4 -37.6-144.9 137.3 2.8 -1.9 -0.6 103 106 A D H >> S+ e 0 128A 13 24,-1.4 4,-1.7 23,-0.7 3,-0.9 -0.165 132.8 2.0 53.0-125.4 1.6 -2.6 3.1 104 107 A W H 3> S+ 0 0 3 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.801 132.9 62.2 -66.9 -24.1 -2.3 -2.8 3.1 105 108 A G H <> S+ 0 0 0 -3,-2.0 4,-2.6 2,-0.2 -2,-0.3 0.838 102.7 50.5 -64.1 -30.4 -2.2 -2.3 -0.6 106 109 A S H < S+ 0 0 28 -4,-1.3 3,-2.0 -3,-0.4 -1,-0.2 -0.373 70.1 153.7-137.2 50.8 -8.2 -13.6 -9.9 117 120 A P G > + 0 0 62 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.784 69.6 60.6 -66.3 -26.7 -4.9 -15.3 -10.8 118 121 A E G 3 S+ 0 0 129 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.591 102.1 55.6 -71.6 -11.3 -5.5 -15.3 -14.5 119 122 A R G < S+ 0 0 33 -3,-2.0 -22,-2.9 -6,-0.2 2,-0.6 0.328 88.1 86.9-102.8 7.2 -5.7 -11.5 -14.5 120 123 A V E < +e 97 0A 13 -3,-1.4 -22,-0.2 -24,-0.2 3,-0.1 -0.928 43.6 175.3-116.4 114.7 -2.4 -10.8 -12.9 121 124 A K E S- 0 0 36 -24,-2.9 2,-0.3 -2,-0.6 -23,-0.2 0.623 70.5 -13.8 -89.6 -16.0 0.6 -10.6 -15.3 122 125 A G E -e 98 0A 0 -25,-0.6 -23,-2.4 109,-0.1 2,-0.4 -0.922 55.3-138.7-176.3 156.1 3.2 -9.6 -12.6 123 126 A I E -ef 99 233A 0 109,-2.3 111,-2.4 -2,-0.3 2,-0.5 -0.971 8.8-170.6-131.6 116.8 3.5 -8.3 -9.1 124 127 A A E +ef 100 234A 0 -25,-3.1 -23,-2.6 -2,-0.4 2,-0.3 -0.923 26.1 171.4 -97.0 125.9 5.9 -5.7 -7.9 125 128 A C E +ef 101 235A 3 109,-3.0 111,-2.3 -2,-0.5 2,-0.3 -0.919 19.3 177.7-139.3 162.6 5.9 -5.6 -4.1 126 129 A M E S-ef 102 236A 0 -25,-1.0 -23,-0.7 -2,-0.3 111,-0.1 -0.915 70.0 -0.4-163.1 137.0 7.7 -4.0 -1.3 127 130 A E E S+ 0 0 2 109,-0.6 -24,-1.4 -2,-0.3 -21,-0.2 0.907 89.2 176.5 47.1 52.2 7.3 -4.0 2.5 128 131 A F E -e 103 0A 1 -26,-0.2 2,-0.5 -22,-0.1 -1,-0.1 -0.449 31.8 -99.3 -94.6 164.3 4.3 -6.2 2.2 129 132 A I + 0 0 2 -26,-0.7 -1,-0.1 -2,-0.1 115,-0.0 -0.716 47.3 151.0 -89.9 124.1 2.0 -7.9 4.7 130 133 A R - 0 0 54 -2,-0.5 90,-0.1 113,-0.1 89,-0.0 -0.871 59.3 -66.6-133.2 171.6 2.5 -11.5 5.6 131 134 A P - 0 0 29 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.389 36.2-156.3 -63.7 141.6 1.6 -13.2 8.9 132 135 A I B -h 208 0B 16 75,-3.0 77,-2.7 1,-0.1 78,-0.3 -0.924 14.1-165.5-110.2 89.8 3.8 -12.0 11.8 133 136 A P + 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.765 63.4 13.6 -66.4 -25.7 3.2 -15.1 13.9 134 137 A T S > S- 0 0 68 75,-0.1 3,-1.5 -3,-0.1 4,-0.2 -0.944 77.6-111.4-136.9 160.4 4.5 -13.8 17.3 135 138 A W G > S+ 0 0 53 -2,-0.3 3,-1.6 1,-0.3 -1,-0.0 0.814 115.3 65.8 -62.8 -27.7 5.3 -10.3 18.6 136 139 A D G 3 S+ 0 0 133 1,-0.3 -1,-0.3 7,-0.0 4,-0.2 0.763 95.4 58.6 -67.0 -19.8 9.0 -11.2 18.7 137 140 A E G < S+ 0 0 115 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.475 89.6 86.9 -87.0 -1.5 8.8 -11.4 14.9 138 141 A W S < S- 0 0 10 -3,-1.6 5,-0.1 -4,-0.2 105,-0.1 -0.763 102.3 -88.9 -88.0 140.5 7.6 -7.8 14.8 139 142 A P > - 0 0 29 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.261 33.4-132.6 -59.0 132.0 10.6 -5.3 14.7 140 143 A E G >> S+ 0 0 157 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.888 101.6 59.3 -51.2 -46.3 11.7 -4.4 18.2 141 144 A F G 34 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.760 115.2 35.7 -60.6 -22.0 11.8 -0.6 17.6 142 145 A A G <> S+ 0 0 7 -3,-1.6 4,-2.1 2,-0.1 -1,-0.3 0.295 92.6 95.5-112.7 3.6 8.1 -0.6 16.7 143 146 A R H <> S+ 0 0 47 -3,-1.6 4,-2.6 -4,-0.5 5,-0.2 0.965 86.1 40.2 -70.5 -54.9 6.8 -3.2 19.0 144 147 A E H X S+ 0 0 160 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.920 115.6 55.6 -66.4 -30.8 5.5 -1.2 22.0 145 148 A T H > S+ 0 0 67 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 112.2 40.3 -60.1 -49.6 4.1 1.4 19.5 146 149 A F H X S+ 0 0 22 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.842 111.1 57.4 -74.8 -28.8 2.1 -1.1 17.6 147 150 A Q H < S+ 0 0 72 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.910 111.2 44.1 -63.3 -38.9 1.0 -2.9 20.8 148 151 A A H >< S+ 0 0 29 -4,-2.2 3,-0.7 -5,-0.2 7,-0.3 0.868 108.6 56.9 -71.4 -37.2 -0.4 0.4 22.0 149 152 A F H 3< S+ 0 0 5 -4,-2.1 2,-1.0 1,-0.3 -1,-0.2 0.855 96.9 67.3 -57.5 -36.1 -2.0 1.1 18.6 150 153 A R T 3< S+ 0 0 39 -4,-1.7 2,-0.3 -5,-0.1 -1,-0.3 -0.143 85.7 91.6 -87.5 47.1 -3.9 -2.2 18.9 151 154 A T S < S- 0 0 44 -2,-1.0 5,-0.4 -3,-0.7 53,-0.1 -0.960 74.6-131.1-138.7 156.7 -6.1 -1.1 21.8 152 155 A A S S+ 0 0 75 -2,-0.3 -1,-0.1 3,-0.2 -3,-0.0 0.645 104.2 30.4 -83.7 -17.6 -9.5 0.5 22.0 153 156 A D S > S+ 0 0 115 3,-0.1 4,-2.4 -5,-0.1 3,-0.3 0.814 128.2 28.0-104.2 -72.7 -8.3 3.2 24.4 154 157 A V H > S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.869 120.1 55.4 -61.3 -38.5 -4.7 4.2 24.0 155 158 A G H > S+ 0 0 0 -7,-0.3 4,-2.6 1,-0.2 5,-0.4 0.895 110.2 44.7 -66.2 -37.4 -4.6 3.3 20.3 156 159 A R H >>S+ 0 0 79 -5,-0.4 5,-2.0 -3,-0.3 4,-1.8 0.900 112.5 52.8 -69.6 -41.4 -7.5 5.6 19.5 157 160 A E H <>S+ 0 0 88 -4,-2.4 5,-1.4 3,-0.2 -2,-0.2 0.950 116.6 38.8 -54.3 -50.8 -6.1 8.4 21.7 158 161 A L H <5S+ 0 0 42 -4,-2.9 6,-2.8 3,-0.2 4,-0.3 0.963 126.4 31.2 -71.2 -51.2 -2.8 8.2 19.8 159 162 A I H <5S+ 0 0 0 -4,-2.6 4,-0.3 -5,-0.3 6,-0.3 0.917 132.0 26.3 -78.0 -43.1 -3.9 7.6 16.2 160 163 A I T <5S+ 0 0 10 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.1 0.935 129.9 34.4 -88.4 -53.2 -7.2 9.4 16.1 161 164 A D T > + 0 0 11 -4,-0.3 4,-2.8 -6,-0.2 3,-0.6 0.805 47.3 160.2 59.6 37.9 -2.6 11.8 14.7 164 167 A A H 3>> + 0 0 24 -6,-2.8 5,-2.2 1,-0.2 4,-1.4 0.738 65.3 58.3 -67.2 -24.1 0.3 9.6 15.7 165 168 A F H 34>S+ 0 0 9 -6,-0.3 5,-2.1 3,-0.2 -1,-0.2 0.905 116.7 34.0 -72.4 -38.9 0.3 7.5 12.5 166 169 A I H <45S+ 0 0 0 -3,-0.6 -2,-0.2 -7,-0.2 -1,-0.1 0.912 128.3 35.3 -76.9 -50.0 0.8 10.6 10.3 167 170 A E H <5S+ 0 0 85 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.685 134.9 17.6 -84.0 -18.4 3.0 12.7 12.6 168 171 A G T X5S+ 0 0 10 -4,-1.4 4,-2.1 -5,-0.4 -3,-0.2 0.753 123.4 37.8-117.1 -70.5 4.9 9.8 14.1 169 172 A A H >44 S+ 0 0 41 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.859 113.1 60.7 -65.7 -29.3 8.2 9.9 9.1 172 175 A K H 3< S+ 0 0 154 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.724 103.6 52.9 -66.5 -19.1 9.8 7.5 11.6 173 176 A C T << S+ 0 0 15 -3,-1.2 97,-2.0 -4,-1.0 96,-1.8 0.149 94.7 77.7-109.1 25.4 9.7 4.8 8.8 174 177 A V < - 0 0 6 -3,-1.4 4,-0.1 95,-0.2 93,-0.1 -0.991 69.2-150.6-120.6 131.8 11.4 6.9 6.2 175 178 A V S S+ 0 0 74 -2,-0.4 -1,-0.1 91,-0.1 92,-0.1 0.959 82.4 58.2 -70.7 -50.7 15.2 7.1 6.5 176 179 A R S S- 0 0 48 90,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.396 104.1 -95.8 -73.9 154.8 15.5 10.6 4.9 177 180 A P - 0 0 112 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.582 34.1-129.3 -72.9 131.8 13.6 13.4 6.5 178 181 A L - 0 0 18 -2,-0.3 2,-0.1 -4,-0.1 -4,-0.0 -0.570 26.3-123.4 -71.3 139.5 10.2 14.1 5.0 179 182 A T > - 0 0 58 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.416 19.2-112.0 -81.2 165.6 9.7 17.8 4.2 180 183 A E H > S+ 0 0 117 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.855 118.9 56.0 -69.0 -29.8 6.9 19.8 5.5 181 184 A V H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 110.7 45.2 -64.3 -44.3 5.4 20.1 2.0 182 185 A E H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.944 111.9 51.7 -61.7 -45.5 5.4 16.4 1.8 183 186 A M H X S+ 0 0 7 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.901 106.6 54.2 -58.2 -41.8 4.0 16.1 5.3 184 187 A D H X S+ 0 0 92 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.899 105.7 52.9 -63.8 -35.0 1.2 18.5 4.4 185 188 A H H < S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.920 113.4 43.6 -62.4 -40.5 0.2 16.3 1.5 186 189 A Y H < S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 4,-0.2 0.845 114.8 50.1 -72.7 -31.8 -0.0 13.3 3.8 187 190 A R H >< S+ 0 0 38 -4,-2.6 3,-2.0 -5,-0.2 4,-0.3 0.770 88.9 84.7 -70.8 -31.1 -1.9 15.4 6.5 188 191 A E G >< S+ 0 0 115 -4,-1.7 3,-1.1 1,-0.3 4,-0.2 0.827 87.4 47.9 -54.2 -45.0 -4.5 16.8 4.1 189 192 A P G 3 S+ 0 0 17 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.692 117.7 44.2 -62.6 -20.8 -7.0 13.9 4.2 190 193 A F G < + 0 0 1 -3,-2.0 -2,-0.2 -4,-0.2 6,-0.1 0.111 68.0 120.5-119.9 20.1 -6.9 13.7 8.0 191 194 A L S < S+ 0 0 121 -3,-1.1 -1,-0.1 -4,-0.3 -3,-0.1 0.820 72.7 63.2 -55.8 -32.7 -7.1 17.4 9.1 192 195 A K S > S- 0 0 144 -3,-0.2 3,-1.8 -4,-0.2 4,-0.2 -0.863 85.3-141.3 -96.5 119.5 -10.2 16.6 11.0 193 196 A P G > S+ 0 0 59 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.845 96.2 60.8 -49.8 -41.5 -9.5 14.0 13.8 194 197 A V G > S+ 0 0 114 1,-0.3 3,-0.9 2,-0.1 -33,-0.1 0.773 93.7 65.9 -60.0 -25.0 -12.7 12.0 13.3 195 198 A D G < S+ 0 0 46 -3,-1.8 -1,-0.3 1,-0.2 4,-0.1 0.460 80.7 84.7 -75.7 2.9 -11.8 11.2 9.7 196 199 A R G X> + 0 0 20 -3,-2.3 3,-1.1 1,-0.2 4,-1.0 0.354 51.2 111.3 -89.8 8.2 -8.8 9.1 11.1 197 200 A E H X> S+ 0 0 33 -3,-0.9 4,-2.6 1,-0.3 3,-1.0 0.877 74.6 52.8 -50.2 -46.4 -10.8 5.9 11.7 198 201 A P H 3> S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.840 102.9 59.8 -61.5 -29.6 -9.1 4.0 8.9 199 202 A L H <4 S+ 0 0 0 -3,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.743 112.4 38.3 -69.5 -27.0 -5.7 4.8 10.3 200 203 A W H X S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.3 4,-0.7 0.927 103.8 43.7 -56.9 -52.4 -5.6 -0.8 9.9 203 206 A P H >4 S+ 0 0 1 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.835 110.6 57.6 -63.2 -28.4 -3.0 -1.6 12.6 204 207 A N H 3< S+ 0 0 23 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.698 106.1 50.9 -69.9 -18.6 -5.7 -3.4 14.5 205 208 A E H << S+ 0 0 4 -3,-1.3 -1,-0.2 -4,-1.1 -3,-0.1 0.543 79.9 119.5 -90.5 -12.0 -6.2 -5.6 11.4 206 209 A L S << S- 0 0 6 -4,-0.7 2,-2.0 -3,-0.7 10,-0.1 -0.288 74.5-117.7 -59.9 140.1 -2.5 -6.5 11.0 207 210 A P + 0 0 2 0, 0.0 -75,-3.0 0, 0.0 2,-0.5 -0.488 58.8 148.7 -81.7 77.1 -2.0 -10.3 11.3 208 211 A I B > -hI 132 211B 0 -2,-2.0 3,-1.7 3,-1.5 -73,-0.1 -0.922 65.0 -9.7-115.8 128.2 0.2 -10.3 14.4 209 212 A A T 3 S- 0 0 45 -77,-2.7 -1,-0.2 -2,-0.5 -75,-0.1 0.863 126.5 -56.1 57.9 39.9 0.3 -13.1 17.0 210 213 A G T 3 S+ 0 0 44 -78,-0.3 -1,-0.3 -3,-0.2 6,-0.1 0.405 99.3 150.2 81.0 -1.9 -2.7 -14.8 15.6 211 214 A E B < +I 208 0B 113 -3,-1.7 -3,-1.5 1,-0.2 -1,-0.1 -0.977 55.0 24.1-127.9 135.0 -5.0 -11.8 15.8 212 215 A P S > S- 0 0 11 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.508 78.4-156.3 -76.2 144.8 -7.4 -11.0 14.2 213 216 A A H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.859 87.2 56.3 -62.4 -35.3 -8.0 -14.6 13.2 214 217 A N H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 110.8 43.6 -64.5 -40.3 -9.9 -13.7 10.0 215 218 A I H > S+ 0 0 1 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.928 110.7 54.9 -71.7 -42.2 -7.0 -11.6 8.6 216 219 A V H X S+ 0 0 17 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.955 111.4 45.7 -53.8 -44.6 -4.4 -14.2 9.6 217 220 A A H X S+ 0 0 55 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.916 113.6 48.6 -67.3 -39.9 -6.2 -16.9 7.7 218 221 A L H X S+ 0 0 35 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.891 114.2 45.4 -62.0 -47.2 -6.7 -14.6 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