==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-99 1B6G . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOBACTER AUTOTROPHICUS; . AUTHOR I.S.RIDDER,H.J.ROZEBOOM,B.W.DIJKSTRA . 310 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 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 . 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 . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 0 2 0 2 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 . 0 1 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 . 1 0 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 1 A M 0 0 175 0, 0.0 32,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 152.2 12.0 15.4 45.4 2 2 A V - 0 0 42 30,-0.5 2,-0.5 1,-0.1 29,-0.0 -0.430 360.0-108.4 -64.1 136.6 12.4 18.4 43.1 3 3 A N + 0 0 100 -2,-0.1 89,-2.4 88,-0.0 90,-0.5 -0.624 58.7 158.8 -68.1 110.3 9.4 19.5 40.9 4 4 A A E -A 91 0A 33 -2,-0.5 2,-0.3 87,-0.3 85,-0.1 -0.943 32.0-149.1-143.2 156.8 10.5 18.5 37.3 5 5 A I E -A 90 0A 50 85,-2.1 85,-2.8 -2,-0.3 2,-0.4 -0.862 14.9-133.8-125.8 164.7 9.3 17.8 33.8 6 6 A R - 0 0 111 -2,-0.3 83,-0.1 83,-0.2 82,-0.1 -0.954 19.1-122.4-125.2 128.1 10.5 15.5 31.0 7 7 A T - 0 0 10 -2,-0.4 5,-0.1 81,-0.4 203,-0.1 -0.511 40.2-105.9 -66.7 129.8 10.9 16.4 27.4 8 8 A P > - 0 0 63 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.320 23.0-127.9 -56.5 138.9 8.8 13.9 25.2 9 9 A D G > S+ 0 0 98 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.809 103.9 71.9 -62.4 -27.3 11.1 11.5 23.5 10 10 A Q G > S+ 0 0 124 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.744 82.1 72.0 -60.1 -24.3 9.5 12.3 20.1 11 11 A R G < S+ 0 0 98 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.704 99.6 48.0 -62.1 -17.4 11.3 15.7 20.3 12 12 A F G < S+ 0 0 15 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.326 82.9 96.0-103.4 4.9 14.5 13.8 19.6 13 13 A S S < S+ 0 0 99 -3,-1.7 2,-0.8 1,-0.2 -1,-0.1 0.905 85.8 46.4 -60.2 -48.1 13.2 11.8 16.7 14 14 A N S S+ 0 0 142 -4,-0.4 2,-0.3 -3,-0.2 -1,-0.2 -0.901 77.3 147.2 -99.6 103.7 14.5 14.1 14.1 15 15 A L - 0 0 32 -2,-0.8 2,-0.6 -3,-0.1 3,-0.5 -0.997 44.9-124.2-140.9 139.8 18.1 15.0 15.0 16 16 A D S S- 0 0 57 -2,-0.3 -2,-0.0 185,-0.3 189,-0.0 -0.755 85.4 -18.8 -90.7 117.6 21.0 15.8 12.6 17 17 A Q S S+ 0 0 143 -2,-0.6 -1,-0.2 1,-0.1 3,-0.0 0.894 95.4 123.2 55.8 49.1 24.1 13.6 13.1 18 18 A Y + 0 0 21 -3,-0.5 -1,-0.1 1,-0.1 43,-0.1 -0.645 17.5 150.9-132.8 73.6 23.2 12.3 16.6 19 19 A P + 0 0 100 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.214 31.2 125.1 -89.2 16.6 23.2 8.5 16.3 20 20 A F - 0 0 15 1,-0.1 21,-0.1 -3,-0.0 44,-0.0 -0.629 61.0-123.2 -88.6 130.0 24.2 7.9 19.9 21 21 A S - 0 0 76 -2,-0.4 19,-0.4 19,-0.1 2,-0.2 -0.357 28.4-107.9 -75.9 146.7 22.0 5.7 22.0 22 22 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.440 30.7-175.8 -77.4 146.0 20.5 6.9 25.2 23 23 A N E -B 38 0B 50 15,-1.1 15,-2.5 -2,-0.2 2,-0.4 -0.971 10.4-157.9-131.0 148.2 21.5 5.8 28.7 24 24 A Y E -B 37 0B 63 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.968 16.6-160.7-133.6 144.3 19.8 6.9 31.9 25 25 A L E -B 36 0B 4 11,-2.5 11,-2.7 -2,-0.4 2,-0.4 -0.987 21.3-160.7-119.7 117.1 20.6 7.2 35.6 26 26 A D E -B 35 0B 94 -2,-0.5 9,-0.2 9,-0.2 5,-0.0 -0.799 64.6 -3.3 -99.8 138.6 17.5 7.4 37.8 27 27 A D S S- 0 0 92 7,-2.1 -1,-0.2 -2,-0.4 3,-0.1 0.866 75.1-168.8 53.2 44.3 17.4 8.7 41.3 28 28 A L > - 0 0 6 6,-0.5 3,-2.9 3,-0.4 6,-0.2 -0.287 46.2 -76.2 -52.0 150.9 21.2 9.4 41.7 29 29 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 -0.362 127.2 19.0 -54.0 126.2 22.0 10.1 45.4 30 30 A G T 3 S+ 0 0 66 -3,-0.1 -2,-0.1 -2,-0.1 75,-0.1 0.291 116.3 76.3 94.7 -8.5 20.8 13.7 46.0 31 31 A Y X + 0 0 13 -3,-2.9 3,-1.9 3,-0.1 -3,-0.4 -0.341 61.9 174.8-133.0 50.9 18.6 13.6 43.0 32 32 A P T 3 S+ 0 0 66 0, 0.0 -30,-0.5 0, 0.0 3,-0.1 -0.275 72.4 14.5 -66.1 139.1 15.5 11.5 43.9 33 33 A G T 3 S+ 0 0 27 1,-0.2 2,-0.4 -32,-0.1 -29,-0.1 0.392 102.0 113.1 82.9 -3.6 12.9 11.5 41.2 34 34 A L < - 0 0 3 -3,-1.9 -7,-2.1 -6,-0.2 -6,-0.5 -0.858 51.5-154.5-109.5 134.7 15.2 12.8 38.5 35 35 A R E -B 26 0B 44 -2,-0.4 54,-3.0 -9,-0.2 2,-0.4 -0.940 10.5-158.9-106.5 127.2 16.4 10.9 35.5 36 36 A A E -B 25 0B 0 -11,-2.7 -11,-2.5 -2,-0.5 2,-0.4 -0.883 5.9-145.2-104.3 137.3 19.7 12.0 33.9 37 37 A H E +B 24 0B 0 -2,-0.4 44,-2.8 44,-0.4 2,-0.3 -0.800 23.6 167.6 -95.3 141.4 20.6 11.2 30.3 38 38 A Y E -BC 23 80B 19 -15,-2.5 -15,-1.1 -2,-0.4 2,-0.3 -0.994 31.4-125.7-149.6 150.4 24.2 10.4 29.2 39 39 A L E - C 0 79B 1 40,-2.2 40,-1.8 -2,-0.3 2,-0.3 -0.704 18.5-172.3 -85.7 144.9 25.9 9.0 26.2 40 40 A D E + C 0 78B 31 -19,-0.4 2,-0.3 -2,-0.3 38,-0.2 -0.825 20.6 169.1-142.1 89.4 28.3 6.0 26.7 41 41 A E E + C 0 77B 50 36,-2.5 36,-2.6 -2,-0.3 2,-0.1 -0.759 34.1 20.7-113.6 154.0 30.1 5.4 23.5 42 42 A G E S- C 0 76B 34 -2,-0.3 2,-0.4 34,-0.2 34,-0.2 -0.319 109.1 -9.6 82.3-174.1 33.1 3.3 22.5 43 43 A N > - 0 0 89 32,-0.5 3,-2.1 28,-0.3 -2,-0.1 -0.478 56.0-152.5 -63.2 115.9 34.5 0.3 24.3 44 44 A S T 3 S+ 0 0 72 -2,-0.4 -1,-0.2 1,-0.3 32,-0.1 0.681 96.9 50.4 -60.7 -26.4 32.8 0.0 27.7 45 45 A D T 3 S+ 0 0 142 30,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.241 81.9 133.6 -96.2 12.6 36.0 -1.7 29.1 46 46 A A < - 0 0 15 -3,-2.1 29,-0.1 1,-0.1 28,-0.0 -0.198 57.6-137.8 -64.6 149.6 38.4 0.9 27.7 47 47 A E S S+ 0 0 160 27,-0.2 2,-0.3 1,-0.0 69,-0.2 0.958 87.8 61.4 -71.4 -44.9 41.0 2.1 30.1 48 48 A D - 0 0 36 26,-0.2 28,-2.6 70,-0.1 2,-0.4 -0.639 65.7-168.5 -87.2 136.8 40.6 5.8 29.1 49 49 A V E -de 76 118B 4 68,-2.1 70,-3.1 -2,-0.3 2,-0.8 -0.990 11.7-151.7-127.6 124.1 37.3 7.6 29.5 50 50 A F E -de 77 119B 2 26,-2.9 28,-2.6 -2,-0.4 2,-0.8 -0.848 11.2-160.6 -92.4 110.0 36.6 11.0 27.9 51 51 A L E -de 78 120B 0 68,-2.4 70,-3.1 -2,-0.8 2,-0.7 -0.849 9.3-163.5 -95.8 107.9 34.1 12.8 30.1 52 52 A C E - e 0 121B 1 26,-2.8 2,-0.5 -2,-0.8 70,-0.2 -0.845 3.7-167.0-106.3 111.1 32.6 15.5 27.9 53 53 A L - 0 0 1 68,-2.8 70,-0.4 -2,-0.7 73,-0.2 -0.872 4.7-155.0-108.5 123.3 30.7 18.3 29.8 54 54 A H - 0 0 1 26,-0.6 2,-0.1 -2,-0.5 69,-0.1 -0.308 8.1-158.1 -86.4 176.4 28.5 20.7 27.9 55 55 A G > + 0 0 0 70,-0.2 3,-1.9 4,-0.2 69,-0.1 -0.325 40.3 3.2-130.9-150.7 27.5 24.3 28.9 56 56 A E T 3 S- 0 0 0 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.704 120.8 -10.7 -85.4 142.1 24.8 26.9 28.4 57 57 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 134,-0.1 -0.377 116.6 82.3 -99.7 57.3 22.3 26.5 26.6 58 58 A T < - 0 0 0 -3,-1.9 28,-0.3 27,-0.1 2,-0.3 -0.059 51.1-153.4-109.7-159.7 23.4 23.2 25.0 59 59 A W > - 0 0 0 26,-0.1 3,-2.3 -3,-0.1 4,-0.2 -0.890 55.7 -59.9-163.8-173.6 23.5 19.4 25.7 60 60 A S G > S+ 0 0 1 1,-0.3 3,-2.0 -2,-0.3 4,-0.2 0.720 118.8 80.8 -60.2 -18.4 25.6 16.4 24.7 61 61 A Y G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.828 80.7 67.3 -50.3 -35.3 24.6 17.1 21.0 62 62 A L G < S+ 0 0 0 -3,-2.3 3,-0.4 1,-0.3 -1,-0.3 0.775 97.8 52.3 -59.7 -27.1 27.3 19.8 21.1 63 63 A Y G X> S+ 0 0 0 -3,-2.0 4,-2.5 -4,-0.2 3,-1.3 0.343 74.3 110.5 -88.9 5.3 29.9 16.9 21.4 64 64 A R T <4 S+ 0 0 10 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.703 79.2 46.7 -61.4 -25.4 28.6 15.0 18.3 65 65 A K T 34 S+ 0 0 68 -3,-0.4 4,-0.3 227,-0.3 -1,-0.3 0.668 116.6 44.2 -84.8 -22.5 31.7 15.8 16.2 66 66 A M T <> S+ 0 0 0 -3,-1.3 4,-2.4 2,-0.1 3,-0.4 0.802 99.2 68.5 -87.6 -40.5 34.2 14.9 19.0 67 67 A I H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.914 98.3 49.6 -52.1 -49.6 32.6 11.7 20.3 68 68 A P H > S+ 0 0 65 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.871 110.6 52.0 -60.3 -35.8 33.3 9.5 17.2 69 69 A V H > S+ 0 0 11 -3,-0.4 4,-1.1 -4,-0.3 -2,-0.2 0.944 112.3 44.1 -66.3 -46.9 37.0 10.6 17.1 70 70 A F H ><>S+ 0 0 0 -4,-2.4 5,-1.4 1,-0.2 3,-0.6 0.938 114.5 49.7 -63.5 -43.0 37.5 9.7 20.8 71 71 A A H ><5S+ 0 0 23 -4,-2.8 3,-2.0 1,-0.2 -28,-0.3 0.898 106.1 56.2 -63.3 -42.1 35.7 6.4 20.4 72 72 A E H 3<5S+ 0 0 164 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.757 97.7 63.1 -64.3 -21.6 37.7 5.5 17.3 73 73 A S T <<5S- 0 0 65 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.522 125.8-100.8 -79.1 -3.6 40.9 5.9 19.2 74 74 A G T < 5S+ 0 0 46 -3,-2.0 -27,-0.2 1,-0.3 -3,-0.2 0.396 82.6 125.9 98.5 5.1 39.8 3.0 21.5 75 75 A A < - 0 0 4 -5,-1.4 -32,-0.5 -29,-0.1 -1,-0.3 -0.483 60.2-117.5 -88.8 162.7 38.5 5.1 24.4 76 76 A R E -Cd 42 49B 36 -28,-2.6 -26,-2.9 -34,-0.2 2,-0.4 -0.736 26.6-152.2 -90.3 148.8 35.2 5.2 26.1 77 77 A V E -Cd 41 50B 2 -36,-2.6 -36,-2.5 -2,-0.3 2,-0.5 -0.989 11.0-172.1-130.9 123.8 33.2 8.5 26.0 78 78 A I E +Cd 40 51B 0 -28,-2.6 -26,-2.8 -2,-0.4 -38,-0.2 -0.967 7.8 173.8-114.3 124.4 30.7 9.7 28.6 79 79 A A E -C 39 0B 0 -40,-1.8 -40,-2.2 -2,-0.5 2,-0.2 -0.866 11.8-169.4-135.0 94.4 28.7 12.8 27.7 80 80 A P E -C 38 0B 4 0, 0.0 -26,-0.6 0, 0.0 2,-0.5 -0.583 18.4-133.0 -85.5 153.6 26.0 13.6 30.3 81 81 A D - 0 0 0 -44,-2.8 -44,-0.4 -2,-0.2 3,-0.1 -0.898 27.8-123.9 -95.4 125.9 23.2 16.2 29.9 82 82 A F > - 0 0 3 -2,-0.5 3,-2.2 1,-0.1 6,-0.3 -0.304 38.7 -88.3 -60.2 149.7 22.8 18.4 33.0 83 83 A F T 3 S+ 0 0 0 1,-0.3 7,-0.2 19,-0.1 -1,-0.1 -0.436 122.6 37.5 -54.9 136.3 19.4 18.5 34.6 84 84 A G T 3 S+ 0 0 0 5,-2.0 135,-0.3 1,-0.3 2,-0.3 0.273 112.6 74.8 98.2 -7.3 17.5 21.2 32.8 85 85 A F S X S- 0 0 0 -3,-2.2 3,-2.0 4,-0.4 -1,-0.3 -0.907 89.1 -15.0-139.2 157.3 19.1 20.2 29.4 86 86 A G T 3 S- 0 0 0 -2,-0.3 -79,-0.2 1,-0.3 -27,-0.1 -0.212 121.0 -22.1 57.8-132.4 19.1 17.7 26.6 87 87 A K T 3 S+ 0 0 22 -50,-0.1 -1,-0.3 -81,-0.1 2,-0.1 0.305 110.8 107.5 -97.5 5.9 17.3 14.4 27.4 88 88 A S S < S- 0 0 0 -3,-2.0 -81,-0.4 -6,-0.3 -52,-0.2 -0.441 82.5 -90.5 -78.7 157.4 17.7 14.9 31.2 89 89 A D - 0 0 8 -54,-3.0 -5,-2.0 -83,-0.1 -4,-0.4 -0.273 40.6-137.0 -63.8 158.9 14.7 15.8 33.5 90 90 A K E -A 5 0A 0 -85,-2.8 -85,-2.1 -7,-0.2 127,-0.1 -0.899 1.8-139.8-133.0 95.0 14.2 19.5 34.0 91 91 A P E -A 4 0A 0 0, 0.0 127,-0.3 0, 0.0 -87,-0.3 -0.324 14.7-144.7 -46.4 137.5 13.3 21.1 37.3 92 92 A V S S+ 0 0 34 -89,-2.4 2,-0.5 125,-0.1 -88,-0.1 0.634 75.2 74.6 -89.0 -13.4 10.7 23.8 36.7 93 93 A D > - 0 0 70 -90,-0.5 3,-1.6 1,-0.1 4,-0.5 -0.858 68.7-146.8-107.6 129.2 11.9 26.3 39.3 94 94 A E G > S+ 0 0 34 -2,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.831 96.3 69.0 -57.0 -33.5 15.0 28.4 38.7 95 95 A E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.761 90.1 61.4 -62.4 -23.4 15.7 28.3 42.5 96 96 A D G < S+ 0 0 55 -3,-1.6 2,-0.6 -93,-0.1 -1,-0.3 0.717 88.4 83.7 -79.0 -14.3 16.5 24.6 42.3 97 97 A Y < + 0 0 0 -3,-1.4 2,-0.3 -4,-0.5 3,-0.1 -0.805 57.3 147.7 -90.3 119.4 19.4 25.2 40.0 98 98 A T > - 0 0 48 -2,-0.6 4,-2.0 1,-0.1 5,-0.2 -0.901 60.7-100.3-138.8 167.9 22.6 26.2 41.8 99 99 A F H > S+ 0 0 5 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.941 124.5 43.3 -54.2 -53.5 26.3 25.7 41.3 100 100 A E H > S+ 0 0 77 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.825 105.4 62.6 -70.6 -27.7 26.4 22.8 43.8 101 101 A F H > S+ 0 0 24 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.955 113.7 36.2 -55.2 -48.6 23.2 21.3 42.4 102 102 A H H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.895 117.6 51.4 -72.5 -41.8 25.1 20.8 39.1 103 103 A R H X S+ 0 0 29 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 109.4 48.9 -62.1 -45.4 28.5 20.0 40.7 104 104 A N H X S+ 0 0 68 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.801 105.7 59.3 -70.5 -27.5 27.2 17.3 43.0 105 105 A F H X S+ 0 0 0 -4,-1.1 4,-2.6 -5,-0.3 -1,-0.2 0.936 107.0 47.0 -58.2 -48.8 25.3 15.7 40.0 106 106 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.919 112.2 48.9 -62.2 -43.7 28.6 15.3 38.2 107 107 A L H X S+ 0 0 39 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.922 112.6 48.7 -59.9 -44.1 30.3 13.8 41.3 108 108 A A H X S+ 0 0 16 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.901 110.9 50.7 -64.7 -38.3 27.4 11.4 41.8 109 109 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.924 109.9 49.7 -62.6 -46.9 27.5 10.4 38.1 110 110 A I H X>S+ 0 0 6 -4,-2.5 5,-2.0 1,-0.2 4,-0.7 0.919 114.9 44.0 -59.3 -43.6 31.3 9.7 38.3 111 111 A E H <5S+ 0 0 131 -4,-2.2 3,-0.3 3,-0.2 -2,-0.2 0.914 112.6 51.4 -69.2 -40.8 30.8 7.6 41.4 112 112 A R H <5S+ 0 0 146 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.896 119.2 36.2 -63.5 -45.2 27.8 5.7 40.1 113 113 A L H <5S- 0 0 25 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.520 103.8-134.1 -82.8 -7.7 29.6 4.8 36.9 114 114 A D T <5 - 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0 0 18 -3,-2.3 2,-0.1 -7,-0.3 -3,-0.0 -0.338 65.0-128.5 -62.4 145.3 25.3 25.9 12.3 199 199 A T > - 0 0 69 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.446 30.0-104.0 -76.3 166.4 22.9 24.6 9.7 200 200 A E H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.904 123.4 51.1 -55.8 -45.2 19.2 25.1 10.3 201 201 A A H > S+ 0 0 46 2,-0.2 4,-1.3 1,-0.2 -185,-0.3 0.893 109.4 49.7 -64.1 -42.0 18.9 21.4 11.2 202 202 A E H > S+ 0 0 23 2,-0.2 4,-0.8 1,-0.2 3,-0.4 0.923 110.1 50.5 -60.8 -45.3 21.7 21.7 13.8 203 203 A A H >X S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.9 0.917 105.8 56.9 -60.4 -38.1 20.2 24.8 15.3 204 204 A S H >X S+ 0 0 65 -4,-2.3 4,-1.5 1,-0.3 3,-0.7 0.846 97.2 62.8 -61.9 -30.8 16.9 22.9 15.6 205 205 A A H 3< S+ 0 0 2 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.776 99.9 54.1 -65.6 -27.0 18.6 20.2 17.6 206 206 A Y H << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.733 110.3 46.3 -79.1 -21.5 19.3 22.9 20.3 207 207 A A H X< S+ 0 0 27 -4,-0.9 3,-2.4 -3,-0.7 -2,-0.2 0.711 91.5 86.2 -82.0 -26.4 15.6 23.7 20.4 208 208 A A T 3< S+ 0 0 5 -4,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.801 82.5 56.0 -48.9 -42.7 14.6 20.1 20.6 209 209 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.635 102.5 62.4 -64.0 -13.4 14.9 19.8 24.4 210 210 A F < + 0 0 16 -3,-2.4 -23,-0.1 1,-0.2 6,-0.1 -0.733 48.7 172.5-126.2 85.2 12.5 22.7 25.1 211 211 A P S S- 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.856 77.7 -15.4 -57.7 -36.2 8.9 22.4 23.9 212 212 A D S > S- 0 0 81 -26,-0.0 3,-1.8 -28,-0.0 4,-0.1 -0.932 85.3 -76.5-156.2-179.2 8.0 25.6 25.7 213 213 A T G > S+ 0 0 56 -2,-0.3 3,-1.8 1,-0.3 4,-0.1 0.731 116.1 71.8 -62.9 -23.5 9.3 28.1 28.4 214 214 A S G 3 S+ 0 0 50 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.768 96.8 52.1 -67.9 -18.5 8.3 25.8 31.3 215 215 A Y G < S+ 0 0 34 -3,-1.8 -1,-0.3 1,-0.2 3,-0.3 0.383 97.1 72.8 -89.5 -0.6 11.2 23.5 30.2 216 216 A Q <> + 0 0 6 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.170 53.8 108.6-107.7 16.1 13.7 26.4 30.3 217 217 A A H > S+ 0 0 0 -3,-0.4 4,-1.8 -126,-0.3 -1,-0.2 0.886 84.7 48.1 -63.8 -39.0 14.3 27.2 34.0 218 218 A G H > S+ 0 0 1 -127,-0.3 4,-1.6 -3,-0.3 -1,-0.2 0.894 110.4 52.9 -66.8 -37.5 17.8 25.7 33.9 219 219 A V H 4 S+ 0 0 0 -135,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.897 111.2 46.6 -60.0 -44.9 18.6 27.7 30.7 220 220 A R H X S+ 0 0 57 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.853 110.9 52.2 -68.7 -33.0 17.4 30.9 32.4 221 221 A K H X S+ 0 0 38 -4,-1.8 4,-1.7 -5,-0.2 3,-0.2 0.821 92.1 72.1 -78.1 -32.6 19.4 30.3 35.6 222 222 A F H >X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.2 3,-0.5 0.916 100.2 42.8 -53.6 -51.3 22.9 29.6 34.2 223 223 A P H 3> S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.849 110.3 58.2 -67.8 -28.7 23.7 33.2 33.1 224 224 A K H 3X S+ 0 0 69 -4,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.867 103.8 53.3 -61.7 -35.1 22.3 34.5 36.3 225 225 A M H << S+ 0 0 17 -4,-1.7 -1,-0.2 -3,-0.5 -3,-0.1 0.702 105.2 53.4 -74.9 -22.9 24.8 32.3 38.1 226 226 A V H < S+ 0 0 4 -4,-1.1 3,-0.2 -3,-0.2 -1,-0.2 0.888 115.7 39.7 -73.4 -39.5 27.7 33.9 36.1 227 227 A A H < S+ 0 0 33 -4,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.834 125.1 37.6 -78.9 -29.7 26.6 37.4 37.1 228 228 A Q S < S- 0 0 164 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.2 -0.914 74.6-171.8-131.9 97.4 25.8 36.4 40.8 229 229 A R - 0 0 34 -2,-0.5 -3,-0.1 -3,-0.2 -4,-0.1 -0.816 16.4-138.1 -96.3 119.6 28.2 33.9 42.2 230 230 A D > - 0 0 73 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.202 27.7-103.5 -74.4 170.3 27.2 32.4 45.6 231 231 A Q H > S+ 0 0 122 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 120.9 54.0 -66.6 -37.2 29.8 31.9 48.4 232 232 A A H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.943 110.2 47.9 -58.4 -48.7 29.9 28.2 47.8 233 233 A X H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 113.3 47.3 -56.0 -49.7 30.7 28.7 44.1 234 234 A I H X S+ 0 0 28 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.958 114.9 45.6 -59.6 -45.7 33.4 31.3 44.9 235 235 A D H X S+ 0 0 71 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.931 115.1 45.6 -67.3 -45.8 35.0 29.2 47.6 236 236 A I H X S+ 0 0 19 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.919 114.4 49.6 -61.3 -43.5 35.0 26.0 45.5 237 237 A S H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.3 -84,-0.2 0.886 110.5 49.0 -66.3 -38.8 36.3 27.8 42.5 238 238 A T H X S+ 0 0 48 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.915 110.6 51.4 -67.4 -40.2 39.1 29.5 44.4 239 239 A E H X S+ 0 0 113 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.902 105.9 56.3 -60.2 -40.6 40.1 26.1 45.8 240 240 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.862 99.5 59.2 -63.3 -36.6 40.1 24.7 42.3 241 241 A I H X S+ 0 0 10 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.951 106.7 48.0 -55.2 -46.2 42.7 27.4 41.3 242 242 A S H X>S+ 0 0 54 -4,-1.5 4,-2.7 1,-0.2 5,-0.5 0.894 109.6 53.1 -62.3 -39.7 45.0 26.0 43.9 243 243 A F H X>S+ 0 0 12 -4,-2.0 4,-2.3 1,-0.2 5,-2.2 0.954 111.4 44.7 -55.3 -52.2 44.4 22.4 42.7 244 244 A W H <5S+ 0 0 2 -4,-2.6 32,-2.7 1,-0.2 -2,-0.2 0.877 119.2 41.9 -67.1 -34.7 45.3 23.3 39.1 245 245 A Q H <5S+ 0 0 97 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.891 132.6 16.2 -76.0 -40.1 48.4 25.3 40.1 246 246 A N H <5S+ 0 0 106 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.633 129.5 33.6-114.3 -22.0 49.8 23.0 42.8 247 247 A D T < - h 0 284B 0 -2,-0.5 3,-1.5 6,-0.2 28,-0.2 -0.797 20.9-159.6 -78.7 104.1 37.8 29.6 19.8 258 258 A M T 3 S+ 0 0 59 26,-2.2 30,-0.2 -2,-0.9 -1,-0.2 0.654 82.2 57.4 -69.7 -19.0 39.3 32.9 18.7 259 259 A K T 3 S+ 0 0 130 28,-2.8 2,-0.3 25,-0.4 -1,-0.3 0.411 76.4 122.8 -90.3 0.6 36.0 34.6 17.7 260 260 A D < - 0 0 15 -3,-1.5 4,-0.4 27,-0.4 -89,-0.1 -0.486 45.2-165.7 -70.1 126.1 34.4 34.1 21.1 261 261 A K S S+ 0 0 106 -2,-0.3 -89,-0.4 -91,-0.1 -1,-0.2 0.523 85.2 42.6 -83.5 -8.1 33.3 37.4 22.7 262 262 A L S S+ 0 0 8 -91,-0.2 -90,-0.1 -90,-0.1 -1,-0.1 0.886 127.1 11.0 -97.8 -68.3 32.9 35.8 26.1 263 263 A L S S+ 0 0 0 -6,-0.1 -114,-0.2 -115,-0.1 -6,-0.2 -0.347 89.5 126.4-121.9 46.5 35.7 33.4 27.0 264 264 A G S >> S- 0 0 5 -4,-0.4 4,-2.6 -116,-0.1 3,-2.1 0.196 82.0 -43.3 -83.2-154.8 38.4 34.0 24.4 265 265 A P H 3> S+ 0 0 40 0, 0.0 4,-2.3 0, 0.0 -7,-0.1 0.801 128.6 68.5 -46.8 -35.9 42.1 34.9 24.8 266 266 A D H 34 S+ 0 0 136 1,-0.2 -3,-0.1 2,-0.2 -102,-0.0 0.809 117.9 22.6 -54.1 -35.9 41.3 37.4 27.6 267 267 A V H <> S+ 0 0 0 -3,-2.1 4,-2.0 2,-0.1 -1,-0.2 0.739 121.1 57.1 -98.9 -34.9 40.3 34.5 29.8 268 268 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.847 101.9 53.5 -77.3 -31.9 42.1 31.6 28.3 269 269 A Y H X S+ 0 0 79 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.955 111.0 47.9 -69.3 -41.8 45.7 32.9 28.5 270 270 A P H > S+ 0 0 41 0, 0.0 4,-1.4 0, 0.0 -2,-0.2 0.937 112.5 50.2 -56.5 -42.5 45.1 33.5 32.3 271 271 A M H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 3,-0.3 0.906 104.4 57.7 -63.0 -39.8 43.8 30.0 32.6 272 272 A K H < S+ 0 0 58 -4,-2.5 3,-0.4 1,-0.2 6,-0.4 0.907 106.8 48.9 -56.3 -43.2 46.7 28.5 30.7 273 273 A A H < S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.817 109.3 52.2 -66.2 -33.2 49.1 30.0 33.3 274 274 A L H < S+ 0 0 17 -4,-1.4 2,-0.8 -3,-0.3 -1,-0.2 0.690 93.8 79.1 -76.8 -20.8 47.0 28.7 36.2 275 275 A I S >< S- 0 0 3 -4,-1.4 3,-2.4 -3,-0.4 -30,-0.2 -0.790 87.2-126.8 -96.0 109.8 47.0 25.1 35.0 276 276 A N T 3 S+ 0 0 70 -32,-2.7 -26,-0.1 -2,-0.8 -2,-0.1 -0.325 92.1 8.6 -55.3 126.7 50.3 23.4 35.8 277 277 A G T 3 S+ 0 0 60 1,-0.3 -25,-0.3 -4,-0.1 -1,-0.3 0.426 85.1 152.3 82.0 1.4 51.8 21.9 32.6 278 278 A C < - 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0 0 20 2,-0.3 -28,-0.3 -29,-0.2 -140,-0.1 0.017 55.4 -49.8 -96.4-147.7 33.5 31.0 18.4 289 289 A H S S+ 0 0 3 -95,-0.4 2,-1.8 -30,-0.2 3,-0.2 0.877 128.8 65.4 -58.0 -40.1 32.3 30.3 21.9 290 290 A F > + 0 0 4 -96,-0.4 3,-1.9 1,-0.2 -2,-0.3 -0.563 64.3 169.4 -88.7 75.8 31.0 26.8 20.8 291 291 A V G > + 0 0 0 -2,-1.8 3,-2.3 1,-0.3 -1,-0.2 0.819 65.9 71.2 -62.4 -28.5 34.4 25.5 20.0 292 292 A Q G > S+ 0 0 0 1,-0.3 3,-1.7 -3,-0.2 -1,-0.3 0.663 80.7 72.8 -66.6 -15.8 33.1 21.9 19.7 293 293 A E G < S+ 0 0 8 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.717 107.3 37.3 -67.8 -17.4 31.4 22.9 16.4 294 294 A F G <> S+ 0 0 58 -3,-2.3 4,-1.1 -4,-0.3 3,-0.4 -0.238 92.0 125.2-107.5 32.2 35.0 22.9 15.2 295 295 A G H <> + 0 0 0 -3,-1.7 4,-3.0 1,-0.2 5,-0.3 0.705 48.8 70.2 -81.6 -19.6 35.5 19.9 17.4 296 296 A E H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.962 105.3 45.6 -58.5 -45.4 36.8 17.2 15.0 297 297 A Q H > S+ 0 0 80 -3,-0.4 4,-2.7 1,-0.2 5,-0.3 0.909 112.4 50.5 -64.1 -45.9 40.1 19.2 14.9 298 298 A V H X S+ 0 0 0 -4,-1.1 4,-2.4 -7,-0.2 -1,-0.2 0.937 113.5 45.3 -58.1 -48.1 40.1 19.7 18.7 299 299 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.918 115.2 45.9 -63.3 -46.3 39.7 16.0 19.3 300 300 A R H X S+ 0 0 118 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.923 115.8 45.5 -64.8 -43.6 42.2 14.8 16.7 301 301 A E H X S+ 0 0 71 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.875 110.8 54.1 -68.4 -36.3 44.8 17.3 17.8 302 302 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.937 108.5 49.0 -60.5 -46.6 44.3 16.5 21.5 303 303 A L H X S+ 0 0 40 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.916 111.0 50.0 -59.0 -43.5 44.8 12.8 20.8 304 304 A K H X S+ 0 0 117 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.899 110.5 50.8 -60.9 -39.8 48.0 13.6 18.9 305 305 A H H X S+ 0 0 39 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.921 111.1 47.1 -65.3 -42.7 49.2 15.8 21.8 306 306 A F H >< S+ 0 0 2 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.890 108.9 55.2 -67.6 -35.7 48.5 13.1 24.4 307 307 A A H >< S+ 0 0 59 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.861 108.0 49.1 -64.6 -35.2 50.3 10.4 22.2 308 308 A E H 3< S+ 0 0 134 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.575 115.9 42.7 -86.9 -4.7 53.5 12.5 22.0 309 309 A T T << 0 0 66 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.093 360.0 360.0-120.8 16.4 53.5 13.1 25.8 310 310 A E < 0 0 189 -3,-0.8 -2,-0.1 -4,-0.1 -3,-0.1 0.841 360.0 360.0 -73.4 360.0 52.6 9.6 26.9