==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHALOGENASE 13-MAY-93 1EDD . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOBACTER AUTOTROPHICUS; . AUTHOR K.H.G.VERSCHUEREN,B.W.DIJKSTRA . 310 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12587.0 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 . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.2 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 . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 1 1 2 1 1 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 197 0, 0.0 2,-0.6 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 -40.6 11.3 89.5 45.9 2 2 A I - 0 0 58 30,-0.5 2,-0.5 94,-0.0 29,-0.0 -0.839 360.0-127.3 -94.3 121.2 12.7 91.9 43.2 3 3 A N + 0 0 110 -2,-0.6 89,-1.8 88,-0.0 90,-0.4 -0.634 45.9 168.6 -71.4 126.5 9.7 92.5 41.0 4 4 A A E -A 91 0A 32 -2,-0.5 2,-0.3 87,-0.3 211,-0.1 -0.972 25.6-146.8-141.0 159.5 11.2 91.7 37.6 5 5 A I E -A 90 0A 47 85,-2.3 85,-3.0 -2,-0.3 2,-0.5 -0.839 11.1-136.6-123.5 163.9 9.9 91.1 34.1 6 6 A R - 0 0 117 -2,-0.3 83,-0.1 83,-0.2 3,-0.1 -0.945 20.1-118.8-127.0 132.1 11.0 88.9 31.3 7 7 A T - 0 0 7 -2,-0.5 203,-0.1 81,-0.4 201,-0.0 -0.390 40.3-104.8 -65.9 133.7 11.4 89.7 27.6 8 8 A P > - 0 0 66 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.239 25.0-128.6 -58.8 137.6 9.2 87.6 25.4 9 9 A D G > S+ 0 0 101 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.809 102.1 67.9 -61.7 -27.5 11.2 85.0 23.5 10 10 A Q G > S+ 0 0 152 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.667 83.2 76.3 -63.8 -20.9 9.8 85.8 20.1 11 11 A R G < S+ 0 0 98 -3,-1.7 -1,-0.2 1,-0.3 3,-0.2 0.753 98.0 46.6 -63.6 -20.1 11.7 89.2 20.3 12 12 A F G X S+ 0 0 16 -3,-1.4 3,-0.8 -4,-0.3 -1,-0.3 0.236 82.0 101.7-105.9 13.2 14.8 87.2 19.6 13 13 A S T < S+ 0 0 81 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.890 84.5 41.2 -59.5 -47.6 13.6 85.1 16.6 14 14 A N T 3 S+ 0 0 157 -4,-0.3 -1,-0.2 -3,-0.2 2,-0.1 -0.123 78.3 155.8 -95.4 26.7 15.1 87.1 13.8 15 15 A L X - 0 0 35 -3,-0.8 3,-0.6 3,-0.1 2,-0.5 -0.348 40.7-127.2 -64.9 136.5 18.6 87.9 15.2 16 16 A D T 3 S- 0 0 57 185,-0.3 -1,-0.1 1,-0.3 189,-0.1 -0.764 84.5 -13.1 -91.9 118.9 21.4 88.6 12.8 17 17 A Q T 3 S+ 0 0 132 -2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.813 97.9 122.5 59.8 41.8 24.5 86.6 13.3 18 18 A Y < + 0 0 20 -3,-0.6 -3,-0.1 1,-0.1 -1,-0.1 -0.550 16.9 147.0-130.6 68.3 23.4 85.3 16.7 19 19 A P + 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.290 31.7 123.0 -84.6 13.0 23.4 81.5 16.4 20 20 A F - 0 0 17 -3,-0.1 21,-0.1 1,-0.1 44,-0.0 -0.629 61.7-121.7 -82.8 136.1 24.5 80.8 20.0 21 21 A S - 0 0 79 -2,-0.3 19,-0.4 19,-0.1 2,-0.1 -0.484 28.4-111.0 -75.8 141.0 22.3 78.7 22.1 22 22 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.479 28.0-173.9 -75.2 147.9 20.9 80.0 25.4 23 23 A N E -B 38 0B 51 15,-0.9 15,-2.0 -2,-0.1 2,-0.3 -0.920 13.1-168.5-133.2 141.1 22.0 78.8 28.9 24 24 A Y E -B 37 0B 68 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.984 15.7-164.7-140.8 153.0 20.1 80.1 31.9 25 25 A L E +B 36 0B 7 11,-1.7 11,-2.5 -2,-0.3 3,-0.2 -0.992 13.5 167.7-129.3 128.3 20.6 80.1 35.7 26 26 A D + 0 0 88 -2,-0.4 7,-0.7 9,-0.2 8,-0.1 0.197 65.9 71.2-128.4 17.2 17.8 81.0 38.0 27 27 A D + 0 0 87 5,-0.1 -1,-0.1 6,-0.1 8,-0.1 -0.143 59.2 145.4-122.8 41.1 19.2 79.8 41.3 28 28 A L > - 0 0 5 3,-0.5 3,-1.4 6,-0.4 2,-0.5 -0.570 56.9-105.7 -80.7 143.5 22.0 82.3 42.1 29 29 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 -0.560 108.3 14.4 -72.2 118.3 22.6 83.2 45.7 30 30 A G T 3 S+ 0 0 66 -2,-0.5 75,-0.1 78,-0.0 74,-0.0 0.059 113.4 83.1 105.2 -14.2 21.2 86.7 46.4 31 31 A Y X - 0 0 14 -3,-1.4 3,-1.4 3,-0.1 -3,-0.5 -0.405 65.2-178.6-114.9 52.1 19.3 86.6 43.1 32 32 A P T 3 - 0 0 62 0, 0.0 -30,-0.5 0, 0.0 -5,-0.1 -0.250 69.3 -0.2 -59.3 120.6 16.1 84.7 44.2 33 33 A G T 3 S+ 0 0 65 -7,-0.7 2,-0.4 1,-0.2 -6,-0.1 0.423 100.2 122.4 85.7 -8.3 13.6 84.1 41.4 34 34 A L < - 0 0 5 -3,-1.4 2,-0.5 -6,-0.2 -6,-0.4 -0.749 50.6-148.7 -91.5 130.2 15.8 85.9 38.7 35 35 A R - 0 0 45 -2,-0.4 54,-2.7 -3,-0.1 2,-0.4 -0.861 11.2-164.0-101.3 128.1 16.8 84.1 35.6 36 36 A A E -B 25 0B 1 -11,-2.5 -11,-1.7 -2,-0.5 2,-0.3 -0.867 6.8-148.8-107.1 138.6 20.2 85.1 34.0 37 37 A H E +B 24 0B 0 44,-0.4 44,-2.8 -2,-0.4 2,-0.3 -0.791 21.8 167.1-108.1 147.9 21.1 84.1 30.4 38 38 A Y E -BC 23 80B 23 -15,-2.0 -15,-0.9 -2,-0.3 2,-0.3 -0.992 31.9-122.9-155.7 151.8 24.6 83.5 29.3 39 39 A L E - C 0 79B 1 40,-2.1 40,-1.8 -2,-0.3 2,-0.4 -0.765 19.0-170.1 -94.8 149.7 26.4 82.0 26.3 40 40 A D E + C 0 78B 36 -19,-0.4 2,-0.3 -2,-0.3 38,-0.2 -0.895 21.8 169.9-143.7 100.1 28.8 79.1 26.9 41 41 A E E + C 0 77B 54 36,-2.7 36,-3.1 -2,-0.4 2,-0.2 -0.846 33.2 18.5-123.4 152.6 30.6 78.4 23.7 42 42 A G E S- C 0 76B 40 -2,-0.3 2,-0.5 34,-0.2 34,-0.2 -0.473 110.6 -8.1 90.5-164.2 33.5 76.3 22.6 43 43 A N > - 0 0 89 32,-0.6 3,-2.1 28,-0.3 -2,-0.1 -0.605 55.1-153.6 -75.6 117.1 34.9 73.4 24.5 44 44 A S T 3 S+ 0 0 70 -2,-0.5 -1,-0.2 1,-0.3 32,-0.1 0.508 96.8 50.0 -65.7 -7.1 33.3 73.1 28.0 45 45 A D T 3 S+ 0 0 133 30,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.234 80.6 130.0-110.8 2.8 36.4 71.4 29.2 46 46 A A < - 0 0 18 -3,-2.1 29,-0.1 1,-0.1 28,-0.0 -0.163 60.2-133.0 -58.1 159.8 38.9 73.9 27.9 47 47 A E S S+ 0 0 150 27,-0.2 2,-0.4 1,-0.0 -1,-0.1 0.852 90.3 63.0 -80.9 -40.0 41.6 75.1 30.3 48 48 A D - 0 0 28 26,-0.2 28,-2.6 70,-0.1 2,-0.4 -0.741 64.6-168.5 -94.6 139.3 41.1 78.7 29.3 49 49 A V E -de 76 118B 6 68,-1.8 70,-3.0 -2,-0.4 2,-0.7 -0.983 10.4-154.3-119.2 127.1 37.8 80.6 29.8 50 50 A F E -de 77 119B 0 26,-2.8 28,-2.5 -2,-0.4 2,-0.8 -0.930 11.8-158.1 -99.8 114.6 37.2 84.0 28.1 51 51 A L E -de 78 120B 0 68,-2.5 70,-2.5 -2,-0.7 2,-0.7 -0.894 9.4-159.3 -95.6 107.8 34.6 85.7 30.4 52 52 A C E - e 0 121B 1 26,-3.3 2,-0.4 -2,-0.8 70,-0.2 -0.863 8.0-170.3 -96.5 106.2 33.0 88.3 28.1 53 53 A L - 0 0 1 68,-2.3 70,-0.2 -2,-0.7 73,-0.2 -0.765 4.0-160.0 -96.8 132.5 31.3 91.3 29.9 54 54 A H - 0 0 1 26,-0.4 2,-0.2 -2,-0.4 69,-0.1 -0.420 5.9-155.9-101.6 177.6 29.2 93.8 28.0 55 55 A G > + 0 0 0 70,-0.2 3,-1.5 4,-0.2 27,-0.1 -0.368 39.9 3.5-132.3-151.3 28.1 97.3 29.1 56 56 A E T 3 S- 0 0 1 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.642 121.5 -9.8 -80.8 133.2 25.4 100.0 28.5 57 57 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 162,-0.1 -0.412 116.2 83.6-119.6 58.1 23.0 99.5 26.8 58 58 A T < - 0 0 0 -3,-1.5 2,-0.3 27,-0.1 28,-0.3 -0.083 49.4-150.5-106.5-155.9 24.1 96.3 25.2 59 59 A W > - 0 0 0 26,-0.1 3,-2.7 -3,-0.1 4,-0.3 -0.940 52.0 -66.0-163.0-179.2 24.2 92.5 25.7 60 60 A S G > S+ 0 0 0 1,-0.3 3,-1.4 -2,-0.3 4,-0.2 0.677 117.3 79.9 -57.3 -16.5 26.1 89.5 24.8 61 61 A Y G > S+ 0 0 0 1,-0.2 3,-2.2 2,-0.2 -1,-0.3 0.868 82.4 69.4 -57.2 -30.8 25.1 90.1 21.2 62 62 A L G < S+ 0 0 0 -3,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.820 96.3 49.4 -54.9 -31.1 28.0 92.7 21.3 63 63 A Y G X> S+ 0 0 0 -3,-1.4 4,-2.4 -4,-0.3 3,-0.9 0.365 77.6 112.5 -94.2 3.8 30.6 89.9 21.5 64 64 A R T <4 S+ 0 0 8 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.689 77.6 43.9 -55.8 -22.8 29.2 88.0 18.6 65 65 A K T 34 S+ 0 0 74 -3,-0.4 4,-0.3 227,-0.3 -1,-0.2 0.678 118.6 44.8 -93.4 -19.1 32.1 88.6 16.2 66 66 A M T <> S+ 0 0 0 -3,-0.9 4,-2.3 -4,-0.1 3,-0.4 0.751 98.1 70.9 -91.6 -32.4 34.7 87.8 18.8 67 67 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.923 97.7 47.6 -54.2 -50.4 33.1 84.7 20.3 68 68 A P H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.806 110.5 53.7 -66.6 -25.0 33.8 82.4 17.4 69 69 A V H > S+ 0 0 13 -3,-0.4 4,-1.0 -4,-0.3 -2,-0.2 0.963 111.7 43.3 -74.5 -43.1 37.4 83.5 17.2 70 70 A F H >X>S+ 0 0 0 -4,-2.3 5,-1.5 1,-0.2 3,-0.7 0.922 115.5 51.1 -65.0 -39.0 38.0 82.8 20.9 71 71 A A H ><5S+ 0 0 18 -4,-2.8 3,-1.4 -5,-0.3 -28,-0.3 0.931 106.4 51.9 -66.6 -39.2 36.1 79.4 20.5 72 72 A E H 3<5S+ 0 0 165 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.742 100.0 65.9 -67.8 -18.0 38.1 78.3 17.5 73 73 A S H <<5S- 0 0 60 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.641 125.3 -99.4 -75.7 -17.7 41.3 79.0 19.5 74 74 A G T <<5S+ 0 0 44 -3,-1.4 -26,-0.2 -4,-0.5 -27,-0.2 0.441 82.3 127.5 112.0 3.7 40.3 76.2 21.9 75 75 A A < - 0 0 0 -5,-1.5 -32,-0.6 -29,-0.1 2,-0.4 -0.433 59.3-125.7 -91.8 160.4 38.8 78.3 24.7 76 76 A R E -Cd 42 49B 37 -28,-2.6 -26,-2.8 -34,-0.2 2,-0.5 -0.838 28.9-153.6 -98.1 140.2 35.5 78.1 26.4 77 77 A V E -Cd 41 50B 2 -36,-3.1 -36,-2.7 -2,-0.4 2,-0.4 -0.984 11.6-169.8-121.1 136.2 33.7 81.4 26.2 78 78 A I E +Cd 40 51B 0 -28,-2.5 -26,-3.3 -2,-0.5 -38,-0.2 -0.986 8.0 174.5-121.2 127.9 31.2 82.6 28.7 79 79 A A E -C 39 0B 0 -40,-1.8 -40,-2.1 -2,-0.4 2,-0.2 -0.835 12.3-169.8-136.5 95.1 29.2 85.7 27.9 80 80 A P E -C 38 0B 4 0, 0.0 2,-0.5 0, 0.0 -26,-0.4 -0.505 20.1-129.4 -84.9 157.4 26.5 86.5 30.4 81 81 A D - 0 0 0 -44,-2.8 -44,-0.4 -2,-0.2 -22,-0.1 -0.899 27.5-125.0-100.4 124.2 23.7 89.1 30.1 82 82 A F > - 0 0 4 -2,-0.5 3,-1.6 -27,-0.1 6,-0.3 -0.410 39.9 -90.4 -61.2 152.4 23.5 91.4 33.1 83 83 A F T 3 S+ 0 0 0 1,-0.3 7,-0.2 4,-0.1 -1,-0.1 -0.412 120.2 38.8 -61.5 145.1 20.0 91.4 34.7 84 84 A G T 3 S+ 0 0 0 5,-1.8 2,-0.3 1,-0.2 135,-0.3 0.224 113.4 76.1 92.0 3.8 18.0 94.3 33.0 85 85 A F S X S- 0 0 0 -3,-1.6 3,-2.0 4,-0.4 -1,-0.2 -0.923 90.4 -16.9-144.8 159.9 19.6 93.4 29.6 86 86 A G T 3 S- 0 0 0 -2,-0.3 -79,-0.2 -28,-0.3 -27,-0.1 -0.177 120.1 -24.1 50.3-130.3 19.6 90.9 26.8 87 87 A K T 3 S+ 0 0 24 -50,-0.1 -1,-0.3 -81,-0.1 -49,-0.1 0.419 110.0 101.7 -97.9 9.3 17.9 87.7 27.7 88 88 A S S < S- 0 0 1 -3,-2.0 -81,-0.4 -6,-0.3 -52,-0.3 -0.457 85.5 -84.9 -81.3 171.3 18.2 87.8 31.5 89 89 A D - 0 0 8 -54,-2.7 -5,-1.8 -83,-0.1 -4,-0.4 -0.275 41.9-136.5 -68.2 156.1 15.3 88.9 33.7 90 90 A K E -A 5 0A 1 -85,-3.0 -85,-2.3 -7,-0.2 127,-0.1 -0.923 3.4-138.8-128.4 108.6 14.8 92.6 34.2 91 91 A P E -A 4 0A 1 0, 0.0 127,-0.3 0, 0.0 -87,-0.3 -0.339 17.1-139.7 -57.0 144.0 14.0 94.2 37.5 92 92 A V S S+ 0 0 34 -89,-1.8 2,-0.4 125,-0.1 -88,-0.1 0.611 75.6 68.4 -83.7 -17.8 11.4 97.0 37.0 93 93 A D > - 0 0 85 -90,-0.4 3,-1.2 1,-0.1 4,-0.3 -0.885 68.2-143.9-110.3 136.3 12.7 99.6 39.4 94 94 A E G > S+ 0 0 47 -2,-0.4 3,-1.3 1,-0.2 -1,-0.1 0.747 98.4 69.8 -60.2 -29.3 15.8 101.6 38.9 95 95 A E G 3 S+ 0 0 174 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.697 90.6 64.3 -60.5 -24.6 16.4 101.6 42.7 96 96 A D G < S+ 0 0 42 -3,-1.2 2,-0.6 1,-0.0 -1,-0.2 0.712 87.4 80.0 -73.5 -20.3 17.1 97.8 42.5 97 97 A Y < + 0 0 0 -3,-1.3 2,-0.3 -4,-0.3 3,-0.0 -0.842 56.4 152.4 -98.9 122.3 20.2 98.2 40.3 98 98 A T > - 0 0 51 -2,-0.6 4,-1.6 1,-0.1 5,-0.2 -0.829 57.8-101.9-136.3 168.1 23.3 99.2 42.1 99 99 A F H > S+ 0 0 3 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.931 123.6 44.8 -56.7 -48.2 27.0 98.7 41.5 100 100 A E H > S+ 0 0 74 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.843 104.5 62.7 -69.7 -31.6 27.2 95.8 44.0 101 101 A F H > S+ 0 0 22 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.951 113.6 35.2 -56.2 -47.0 24.0 94.2 42.7 102 102 A H H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.866 118.5 52.8 -76.6 -35.2 25.7 93.7 39.3 103 103 A R H X S+ 0 0 23 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.884 110.2 46.2 -67.6 -40.2 29.1 93.0 40.9 104 104 A N H X S+ 0 0 67 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.799 106.0 59.9 -74.2 -24.9 27.8 90.3 43.2 105 105 A F H X S+ 0 0 0 -4,-0.9 4,-2.0 -5,-0.3 -2,-0.2 0.940 107.1 48.4 -69.3 -39.1 25.9 88.8 40.3 106 106 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.898 111.7 46.0 -65.3 -44.6 29.3 88.3 38.5 107 107 A L H X S+ 0 0 36 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.894 114.1 51.3 -66.5 -36.5 31.1 86.7 41.5 108 108 A A H X S+ 0 0 14 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.908 111.2 46.5 -64.8 -42.3 28.0 84.5 42.0 109 109 A L H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.921 113.1 49.6 -62.7 -51.4 28.0 83.4 38.3 110 110 A I H X>S+ 0 0 5 -4,-2.5 5,-1.4 2,-0.2 4,-0.9 0.907 116.5 41.1 -57.6 -45.3 31.7 82.7 38.5 111 111 A E H <5S+ 0 0 131 -4,-2.3 3,-0.2 -5,-0.2 -2,-0.2 0.939 113.3 54.6 -71.7 -43.7 31.4 80.7 41.7 112 112 A R H <5S+ 0 0 105 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.928 119.9 32.0 -55.2 -44.9 28.2 79.0 40.4 113 113 A L H <5S- 0 0 31 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.563 102.6-134.0 -90.7 -7.8 30.1 77.9 37.2 114 114 A D T <5 - 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0 0 58 0, 0.0 3,-1.9 0, 0.0 5,-0.8 0.653 69.9-140.5 -90.8 167.2 33.0 117.4 26.2 169 169 A A T 3 5S+ 0 0 77 1,-0.3 5,-0.4 -2,-0.1 -2,-0.1 0.779 103.3 49.2 -58.5 -27.2 29.3 118.2 25.8 170 170 A D T 3 5S+ 0 0 77 3,-0.2 -1,-0.3 4,-0.1 91,-0.1 0.317 105.6 62.9 -96.9 9.3 29.0 115.6 22.9 171 171 A G T X>5S- 0 0 0 -3,-1.9 4,-2.2 90,-0.1 3,-0.8 0.380 122.8 -16.0 -98.5-119.3 30.8 112.8 24.8 172 172 A F H 3>5S+ 0 0 5 -8,-0.7 4,-2.7 89,-0.4 5,-0.3 0.807 133.0 61.1 -56.1 -36.7 29.3 111.4 28.0 173 173 A T H 3> S+ 0 0 23 -3,-0.8 4,-2.8 -5,-0.4 5,-0.2 0.893 113.5 53.7 -71.6 -42.8 25.2 113.5 25.2 175 175 A W H X S+ 0 0 5 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.953 111.9 42.8 -57.0 -50.1 25.3 109.8 25.9 176 176 A K H >X S+ 0 0 66 -4,-2.7 4,-2.5 1,-0.2 3,-0.5 0.922 113.2 53.8 -63.2 -48.0 23.6 110.1 29.3 177 177 A Y H 3X S+ 0 0 151 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.943 108.1 49.8 -54.5 -47.1 21.1 112.7 27.8 178 178 A D H 3< S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.781 117.9 41.6 -61.2 -30.9 20.1 110.2 25.0 179 179 A L H << S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.885 121.3 31.1 -85.6 -43.9 19.6 107.4 27.6 180 180 A V H < S+ 0 0 36 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.1 0.693 114.8 52.5 -94.4 -19.7 17.8 108.9 30.6 181 181 A T S < S+ 0 0 70 -4,-1.6 -3,-0.1 -5,-0.4 -4,-0.1 0.881 79.5 88.2 -86.2 -48.3 15.6 111.7 29.1 182 182 A P - 0 0 48 0, 0.0 3,-0.4 0, 0.0 -4,-0.0 -0.273 57.7-156.1 -58.3 131.4 13.6 110.3 26.2 183 183 A S S S+ 0 0 117 1,-0.3 2,-0.3 2,-0.0 30,-0.2 0.686 96.4 44.4 -78.6 -13.9 10.3 108.9 27.5 184 184 A D S S- 0 0 87 28,-0.1 2,-0.6 2,-0.0 -1,-0.3 -0.693 81.9-173.1-133.2 78.5 10.4 106.7 24.3 185 185 A L - 0 0 16 -3,-0.4 2,-0.8 -2,-0.3 -6,-0.1 -0.636 8.1-163.6 -82.0 114.0 13.9 105.4 24.0 186 186 A R > - 0 0 129 -2,-0.6 4,-2.3 1,-0.1 5,-0.1 -0.856 2.0-165.6-103.5 108.7 14.6 103.5 20.8 187 187 A L H > S+ 0 0 3 -2,-0.8 4,-2.0 1,-0.2 -1,-0.1 0.727 86.0 57.9 -68.1 -25.4 17.8 101.5 21.3 188 188 A D H > S+ 0 0 48 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.887 110.2 44.5 -70.5 -43.2 18.3 100.8 17.6 189 189 A Q H > S+ 0 0 117 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.924 112.8 52.8 -66.0 -41.7 18.4 104.5 16.9 190 190 A F H >X S+ 0 0 8 -4,-2.3 4,-2.1 1,-0.2 3,-0.7 0.934 110.6 47.1 -58.3 -49.1 20.7 105.0 19.9 191 191 A M H 3X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 7,-0.2 0.818 107.5 54.5 -65.0 -29.2 23.1 102.4 18.6 192 192 A K H 3< S+ 0 0 89 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.741 110.0 48.1 -77.5 -21.4 23.2 103.7 15.1 193 193 A R H << S+ 0 0 166 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.893 120.8 35.2 -78.0 -50.0 24.2 107.1 16.4 194 194 A W H < S+ 0 0 40 -4,-2.1 95,-0.4 1,-0.3 96,-0.4 0.585 129.7 34.6 -83.5 -12.8 26.9 105.7 18.8 195 195 A A S >< S- 0 0 7 -4,-1.7 3,-2.0 -5,-0.2 -1,-0.3 -0.610 72.6-179.4-142.2 71.7 28.0 102.9 16.4 196 196 A P T 3 S+ 0 0 106 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.632 73.1 61.6 -53.3 -16.6 27.6 104.4 13.0 197 197 A T T 3 S+ 0 0 97 2,-0.0 -5,-0.1 0, 0.0 2,-0.0 0.531 75.3 117.1 -93.0 -1.7 28.8 101.3 11.1 198 198 A L < - 0 0 14 -3,-2.0 2,-0.1 -7,-0.2 -3,-0.0 -0.345 64.0-126.8 -63.3 139.8 26.0 99.0 12.3 199 199 A T > - 0 0 70 1,-0.1 4,-2.9 -2,-0.0 5,-0.3 -0.370 28.5-106.1 -81.6 168.8 23.6 97.5 9.8 200 200 A E H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.912 122.4 53.2 -60.4 -39.4 19.9 98.0 10.4 201 201 A A H > S+ 0 0 43 2,-0.2 4,-0.9 1,-0.2 -185,-0.3 0.911 110.9 46.3 -61.2 -42.6 19.6 94.3 11.3 202 202 A E H >> S+ 0 0 20 2,-0.2 4,-1.1 1,-0.2 3,-0.8 0.917 111.0 51.9 -65.3 -47.8 22.4 94.7 13.9 203 203 A A H >X S+ 0 0 1 -4,-2.9 3,-0.8 1,-0.3 4,-0.6 0.912 107.8 53.7 -57.4 -41.2 21.0 97.9 15.3 204 204 A S H >X S+ 0 0 64 -4,-2.2 4,-0.9 -5,-0.3 3,-0.7 0.819 97.3 62.7 -68.8 -21.7 17.7 96.1 15.7 205 205 A A H << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.835 99.5 57.3 -70.5 -25.9 19.2 93.3 17.7 206 206 A Y H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.668 108.3 44.9 -75.8 -17.1 20.1 95.8 20.4 207 207 A A H X< S+ 0 0 16 -3,-0.7 3,-1.5 -4,-0.6 -1,-0.2 0.556 91.4 91.4 -98.6 -12.5 16.5 96.9 20.7 208 208 A A T 3< S+ 0 0 7 -4,-0.9 -2,-0.2 1,-0.3 -1,-0.1 0.810 79.7 53.7 -50.7 -43.7 15.3 93.3 20.7 209 209 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.688 105.4 60.4 -69.8 -17.0 15.4 92.8 24.5 210 210 A F < + 0 0 10 -3,-1.5 -23,-0.2 1,-0.1 3,-0.0 -0.792 47.0 168.4-124.2 96.6 13.2 95.9 25.1 211 211 A P S S- 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.772 75.9 -1.7 -68.2 -32.7 9.6 96.1 23.8 212 212 A D S > S- 0 0 79 -26,-0.0 3,-2.0 -28,-0.0 4,-0.2 -0.884 86.1 -86.4-153.8 167.6 8.6 99.1 25.8 213 213 A T G > S+ 0 0 62 -2,-0.3 3,-2.0 1,-0.3 4,-0.1 0.713 113.2 75.4 -50.6 -27.8 10.0 101.4 28.5 214 214 A S G 3 S+ 0 0 57 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.756 94.6 50.1 -64.3 -20.8 9.0 99.1 31.2 215 215 A Y G < S+ 0 0 31 -3,-2.0 3,-0.4 1,-0.2 -1,-0.3 0.491 96.5 77.0 -92.6 -4.7 11.8 96.8 30.4 216 216 A Q <> + 0 0 7 -3,-2.0 4,-2.4 -4,-0.2 5,-0.2 0.221 51.4 107.2 -90.4 11.0 14.4 99.6 30.4 217 217 A A H > S+ 0 0 0 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.855 84.2 48.8 -53.3 -44.0 15.0 100.3 34.1 218 218 A G H > S+ 0 0 0 -3,-0.4 4,-1.5 -127,-0.3 -1,-0.2 0.865 110.2 52.6 -62.7 -44.2 18.5 98.7 34.0 219 219 A V H 4 S+ 0 0 0 -135,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.888 110.6 47.1 -62.4 -42.8 19.3 100.7 30.9 220 220 A R H X S+ 0 0 51 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.847 108.4 54.4 -70.6 -33.0 18.3 104.0 32.6 221 221 A K H X S+ 0 0 39 -4,-1.8 4,-1.9 -5,-0.2 3,-0.3 0.896 92.7 70.0 -70.8 -36.0 20.2 103.4 35.8 222 222 A F H X S+ 0 0 1 -4,-1.5 4,-0.7 1,-0.2 3,-0.3 0.877 99.3 45.3 -49.4 -52.6 23.7 102.7 34.4 223 223 A P H >> S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 3,-0.7 0.831 110.5 54.9 -63.9 -33.7 24.5 106.2 33.2 224 224 A K H 3X S+ 0 0 50 -4,-0.8 4,-2.4 -3,-0.3 -2,-0.2 0.772 104.2 55.5 -69.7 -27.2 23.2 107.7 36.4 225 225 A M H 3< S+ 0 0 17 -4,-1.9 -1,-0.3 -3,-0.3 -3,-0.1 0.727 103.7 53.2 -78.6 -16.9 25.6 105.4 38.3 226 226 A V H << S+ 0 0 4 -4,-0.7 3,-0.3 -3,-0.7 -2,-0.2 0.895 115.8 41.3 -75.0 -40.4 28.5 106.9 36.2 227 227 A A H < S+ 0 0 42 -4,-1.5 2,-0.5 1,-0.2 -2,-0.2 0.796 124.0 36.8 -69.2 -41.5 27.4 110.4 37.3 228 228 A Q S < S- 0 0 136 -4,-2.4 2,-0.3 -5,-0.1 -1,-0.2 -0.836 74.5-171.9-122.8 84.9 26.6 109.5 41.0 229 229 A R - 0 0 36 -2,-0.5 2,-0.1 -3,-0.3 -3,-0.1 -0.636 16.3-142.2 -80.4 126.1 29.1 107.0 42.3 230 230 A D > - 0 0 74 -2,-0.3 4,-2.3 -5,-0.1 3,-0.1 -0.449 28.0 -98.8 -86.5 168.5 28.1 105.7 45.7 231 231 A Q H > S+ 0 0 128 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.836 120.3 54.5 -55.5 -42.6 30.6 105.0 48.5 232 232 A A H > S+ 0 0 30 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.938 110.7 45.2 -62.5 -45.6 30.7 101.2 47.9 233 233 A C H > S+ 0 0 4 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.911 114.6 49.2 -59.3 -49.3 31.6 101.7 44.2 234 234 A I H X S+ 0 0 27 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.971 115.4 44.1 -55.9 -54.4 34.2 104.3 45.1 235 235 A D H X S+ 0 0 86 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.923 116.8 44.1 -55.0 -52.1 35.8 102.1 47.8 236 236 A I H X S+ 0 0 19 -4,-2.9 4,-1.4 -5,-0.3 -1,-0.2 0.916 115.2 47.4 -68.0 -39.5 35.8 99.0 45.8 237 237 A S H X S+ 0 0 0 -4,-3.3 4,-1.2 -85,-0.3 -84,-0.2 0.852 112.2 52.1 -69.1 -29.1 37.1 100.7 42.6 238 238 A T H >X S+ 0 0 48 -4,-2.5 4,-1.2 -5,-0.3 3,-0.6 0.942 109.0 49.2 -68.3 -49.2 39.8 102.5 44.6 239 239 A E H 3X S+ 0 0 124 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.854 105.3 58.2 -62.8 -29.0 40.9 99.3 46.1 240 240 A A H 3X S+ 0 0 0 -4,-1.4 4,-2.5 -5,-0.2 5,-0.2 0.891 95.9 64.0 -70.0 -29.1 41.1 97.6 42.6 241 241 A I H S+ 0 0 57 -4,-1.2 4,-2.4 1,-0.2 5,-0.7 0.879 109.4 54.5 -59.1 -39.9 46.0 98.9 44.0 243 243 A F H X>S+ 0 0 11 -4,-1.3 5,-2.3 1,-0.2 4,-1.1 0.938 111.7 42.0 -63.2 -47.3 45.3 95.4 42.8 244 244 A W H <5S+ 0 0 1 -4,-2.5 32,-2.7 3,-0.2 -2,-0.2 0.866 118.2 46.4 -69.0 -38.3 46.1 96.2 39.2 245 245 A Q H <5S+ 0 0 97 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.898 132.9 9.4 -71.3 -44.7 49.2 98.3 40.0 246 246 A N H <5S+ 0 0 95 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.830 129.7 39.0-107.8 -34.9 50.8 95.9 42.5 247 247 A D T < -h 284 0C 0 -2,-0.4 3,-1.5 6,-0.2 28,-0.2 -0.831 22.5-157.5 -85.7 101.7 38.6 102.6 20.0 258 258 A M T 3 S+ 0 0 55 26,-1.9 30,-0.2 -2,-1.1 -1,-0.2 0.665 82.7 57.2 -57.3 -26.8 40.2 105.9 18.9 259 259 A K T 3 S+ 0 0 138 28,-2.7 2,-0.4 25,-0.4 -1,-0.3 0.286 75.8 123.5 -89.5 9.1 37.0 107.7 18.0 260 260 A D < - 0 0 14 -3,-1.5 4,-0.4 28,-0.4 -89,-0.1 -0.681 42.3-169.0 -75.4 122.9 35.5 107.3 21.4 261 261 A K S S+ 0 0 112 -2,-0.4 -89,-0.4 -91,-0.1 -1,-0.2 0.516 85.5 47.4 -81.2 -16.7 34.4 110.6 22.9 262 262 A L S S+ 0 0 4 -91,-0.2 -98,-0.1 1,-0.1 -1,-0.1 0.914 129.9 2.8 -90.0 -66.3 33.8 108.9 26.3 263 263 A L S S+ 0 0 1 -6,-0.1 -6,-0.2 -115,-0.1 -2,-0.1 -0.323 89.4 125.3-127.5 60.2 36.7 106.7 27.1 264 264 A G S >> S- 0 0 2 -4,-0.4 4,-2.5 -116,-0.1 3,-1.4 0.251 80.4 -38.1 -87.4-148.2 39.3 107.0 24.4 265 265 A P H 3> S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 -7,-0.1 0.724 128.3 62.4 -52.7 -38.5 43.0 107.9 24.9 266 266 A D H 34 S+ 0 0 126 1,-0.2 -3,-0.1 2,-0.2 -102,-0.0 0.708 119.6 30.0 -62.6 -19.6 42.7 110.5 27.7 267 267 A V H <> S+ 0 0 1 -3,-1.4 4,-1.6 2,-0.1 -1,-0.2 0.724 119.7 52.6-102.7 -38.0 41.2 107.7 29.8 268 268 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.831 104.3 53.8 -75.0 -33.6 43.0 104.6 28.3 269 269 A Y H X S+ 0 0 95 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.942 111.2 48.3 -66.3 -44.0 46.7 105.9 28.6 270 270 A P H > S+ 0 0 41 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.908 111.8 48.5 -62.3 -38.8 46.1 106.5 32.2 271 271 A M H X S+ 0 0 0 -4,-1.6 4,-0.9 1,-0.2 3,-0.3 0.909 105.2 59.8 -65.2 -41.1 44.6 103.1 32.7 272 272 A K H < S+ 0 0 68 -4,-2.2 3,-0.3 1,-0.2 6,-0.3 0.884 103.4 50.6 -59.9 -31.8 47.5 101.5 30.9 273 273 A A H < S+ 0 0 81 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.837 107.5 53.2 -73.9 -30.6 49.9 102.9 33.5 274 274 A L H < S+ 0 0 19 -4,-1.3 2,-0.9 -3,-0.3 -1,-0.2 0.621 93.6 80.7 -78.6 -12.8 48.0 101.6 36.5 275 275 A I S >< S- 0 0 2 -4,-0.9 3,-2.3 -3,-0.3 -30,-0.2 -0.778 87.9-124.6 -97.1 108.9 47.9 98.0 35.1 276 276 A N T 3 S+ 0 0 75 -32,-2.7 -26,-0.1 -2,-0.9 -2,-0.1 -0.231 88.4 3.2 -59.7 133.1 51.1 96.3 35.8 277 277 A G T 3 S+ 0 0 62 1,-0.2 -25,-0.3 -4,-0.1 -1,-0.3 0.502 85.2 155.9 77.0 1.8 52.8 94.9 32.8 278 278 A C < - 0 0 13 -3,-2.3 -1,-0.2 -6,-0.3 2,-0.1 -0.422 32.7-141.1 -62.6 138.5 50.2 96.3 30.4 279 279 A P - 0 0 34 0, 0.0 -25,-0.1 0, 0.0 3,-0.1 -0.307 36.6 -54.5 -92.2 177.9 51.9 96.7 26.9 280 280 A E - 0 0 182 1,-0.1 -26,-0.3 -2,-0.1 2,-0.1 -0.216 68.7-111.7 -49.6 133.4 51.6 99.3 24.1 281 281 A P - 0 0 17 0, 0.0 2,-0.9 0, 0.0 -26,-0.2 -0.384 14.8-123.7 -75.7 153.5 48.0 99.7 23.2 282 282 A L E -h 255 0C 42 -28,-2.4 -26,-1.8 -3,-0.1 2,-0.5 -0.848 30.2-154.0 -92.0 103.2 46.5 98.5 19.9 283 283 A E E -h 256 0C 98 -2,-0.9 2,-0.8 -28,-0.2 -26,-0.2 -0.684 6.1-161.4 -82.6 122.8 44.9 101.7 18.6 284 284 A I E > -h 257 0C 6 -28,-3.1 -26,-1.9 -2,-0.5 3,-1.0 -0.896 3.2-161.9-108.9 104.9 42.1 101.1 16.3 285 285 A A T 3 S+ 0 0 64 -2,-0.8 -1,-0.2 1,-0.2 -26,-0.1 0.801 82.5 43.2 -53.0 -41.0 41.6 104.3 14.4 286 286 A D T 3 S+ 0 0 109 -3,-0.1 2,-0.3 -28,-0.1 -1,-0.2 0.576 90.5 97.5 -89.3 -4.3 38.1 103.6 13.1 287 287 A A < - 0 0 0 -3,-1.0 -28,-2.7 -31,-0.2 -27,-0.3 -0.655 50.2-166.1 -87.2 145.3 36.4 102.2 16.1 288 288 A G - 0 0 19 -2,-0.3 -28,-0.4 -29,-0.2 3,-0.1 0.187 58.6 -48.7-101.5-142.9 34.3 104.3 18.5 289 289 A H S S+ 0 0 3 -95,-0.4 2,-2.0 -30,-0.2 3,-0.2 0.894 128.3 67.6 -66.8 -37.8 33.1 103.2 22.0 290 290 A F > + 0 0 3 -96,-0.4 3,-2.4 1,-0.2 4,-0.4 -0.399 60.9 168.9 -86.6 71.2 31.8 99.9 20.9 291 291 A V G > + 0 0 0 -2,-2.0 3,-1.8 1,-0.3 7,-0.2 0.830 69.0 72.9 -52.8 -28.6 35.3 98.4 20.1 292 292 A Q G > S+ 0 0 0 1,-0.3 3,-1.6 -3,-0.2 -227,-0.3 0.690 79.8 67.5 -62.5 -25.6 33.6 95.1 19.8 293 293 A E G < S+ 0 0 11 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.637 108.3 40.8 -66.0 -18.2 31.9 96.0 16.5 294 294 A F G X> S+ 0 0 57 -3,-1.8 4,-1.1 -4,-0.4 3,-0.6 -0.176 92.3 132.0-116.1 27.3 35.5 95.9 15.1 295 295 A G H <> + 0 0 0 -3,-1.6 4,-3.0 1,-0.2 5,-0.2 0.690 48.6 63.7 -59.3 -33.2 35.9 92.8 17.3 296 296 A E H 3> S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 102.3 50.6 -67.6 -36.7 37.5 90.2 15.2 297 297 A Q H <> S+ 0 0 91 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.970 112.6 49.5 -62.1 -52.4 40.7 92.2 14.8 298 298 A V H X S+ 0 0 0 -4,-1.1 4,-2.8 1,-0.2 5,-0.3 0.934 110.8 48.4 -54.2 -50.3 40.8 92.6 18.6 299 299 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.955 114.7 43.8 -61.1 -46.0 40.2 88.9 19.2 300 300 A R H X S+ 0 0 123 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.859 114.9 48.3 -70.2 -33.2 42.9 87.7 16.8 301 301 A E H >X S+ 0 0 68 -4,-2.8 4,-3.3 -5,-0.2 3,-0.6 0.973 111.5 50.2 -70.2 -47.0 45.5 90.3 17.8 302 302 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 -2,-0.2 0.928 112.2 47.5 -51.3 -48.1 44.9 89.5 21.5 303 303 A L H 3X S+ 0 0 33 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.3 0.794 111.8 51.0 -65.4 -28.5 45.3 85.8 20.9 304 304 A K H XX S+ 0 0 110 -4,-1.4 4,-1.8 -3,-0.6 3,-0.6 0.959 111.9 45.7 -74.4 -47.8 48.4 86.5 18.9 305 305 A H H 3< S+ 0 0 43 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.927 114.1 50.9 -56.0 -43.3 49.9 88.7 21.7 306 306 A F H 3< S+ 0 0 2 -4,-2.9 3,-0.5 -5,-0.3 -1,-0.2 0.747 107.7 49.7 -65.1 -30.9 48.9 86.0 24.3 307 307 A A H X< S+ 0 0 65 -4,-1.1 3,-0.6 -3,-0.6 2,-0.6 0.810 97.2 70.5 -77.9 -35.1 50.5 83.0 22.4 308 308 A E T 3< S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.041 111.2 33.3 -70.8 27.3 53.7 85.1 22.1 309 309 A T T 3 0 0 89 -2,-0.6 -1,-0.3 -3,-0.5 -58,-0.0 -0.201 360.0 360.0 177.7 71.2 54.0 84.5 25.9 310 310 A E < 0 0 170 -3,-0.6 -2,-0.1 0, 0.0 -3,-0.1 0.261 360.0 360.0 173.3 360.0 52.5 81.0 26.8