==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHALOGENASE 24-JUN-93 2DHE . 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) . 12519.0 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 . 16 5.2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 23 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 15.8 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 . 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 2 0 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 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 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 0 208 0, 0.0 2,-1.0 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 -68.0 11.2 89.8 45.8 2 2 A I - 0 0 53 30,-0.4 2,-0.2 89,-0.0 29,-0.0 -0.858 360.0-131.1 -89.3 104.0 12.9 92.0 43.3 3 3 A N + 0 0 108 -2,-1.0 89,-2.1 88,-0.1 90,-0.5 -0.403 43.8 161.7 -57.6 122.5 10.1 92.7 41.0 4 4 A A E -A 91 0A 25 87,-0.3 2,-0.3 -2,-0.2 211,-0.1 -0.983 28.0-144.0-144.4 154.5 11.5 92.0 37.5 5 5 A I E -A 90 0A 47 85,-2.6 85,-3.4 -2,-0.3 2,-0.4 -0.764 13.0-134.4-116.8 166.3 10.1 91.4 34.0 6 6 A R - 0 0 112 -2,-0.3 83,-0.1 83,-0.2 3,-0.1 -0.980 19.4-116.9-126.1 135.4 11.3 89.1 31.3 7 7 A T - 0 0 6 -2,-0.4 203,-0.1 81,-0.4 201,-0.0 -0.429 38.9-107.5 -68.6 131.7 11.6 89.8 27.6 8 8 A P > - 0 0 65 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.336 24.2-129.2 -58.4 138.3 9.4 87.7 25.4 9 9 A D G > S+ 0 0 97 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.833 102.3 69.2 -60.6 -32.8 11.4 85.1 23.6 10 10 A Q G > S+ 0 0 156 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.716 82.8 75.0 -59.4 -20.6 10.0 86.0 20.2 11 11 A R G < S+ 0 0 99 -3,-1.7 -1,-0.3 1,-0.3 3,-0.2 0.680 99.2 45.0 -65.5 -18.7 11.8 89.4 20.3 12 12 A F G X S+ 0 0 15 -3,-1.8 3,-0.9 -4,-0.3 -1,-0.3 0.271 82.1 104.5-109.5 16.3 15.0 87.5 19.6 13 13 A S T < S+ 0 0 86 -3,-1.5 -1,-0.1 1,-0.2 -2,-0.1 0.882 84.6 39.0 -61.5 -43.4 13.6 85.4 16.8 14 14 A N T 3 S+ 0 0 152 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.039 78.8 154.5-104.5 25.7 15.2 87.3 13.9 15 15 A L X - 0 0 32 -3,-0.9 3,-0.6 3,-0.1 2,-0.5 -0.263 40.5-127.8 -59.9 136.4 18.7 88.1 15.3 16 16 A D T 3 S- 0 0 61 185,-0.3 -1,-0.1 1,-0.2 -2,-0.0 -0.711 82.9 -10.2 -89.6 125.4 21.5 88.7 12.8 17 17 A Q T 3 S+ 0 0 131 -2,-0.5 -1,-0.2 1,-0.1 3,-0.0 0.864 99.2 118.7 55.5 40.4 24.6 86.7 13.3 18 18 A Y < + 0 0 19 -3,-0.6 -1,-0.1 1,-0.1 -3,-0.1 -0.564 19.1 147.4-132.7 68.1 23.6 85.5 16.7 19 19 A P + 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.301 31.9 125.5 -86.9 14.7 23.4 81.7 16.4 20 20 A F - 0 0 19 1,-0.1 21,-0.1 -3,-0.0 44,-0.0 -0.635 59.8-123.2 -82.6 134.7 24.5 81.1 20.0 21 21 A S - 0 0 79 -2,-0.3 19,-0.5 19,-0.1 2,-0.1 -0.464 27.9-114.4 -74.1 136.8 22.3 78.9 22.2 22 22 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.377 26.2-171.8 -76.1 156.1 21.1 80.3 25.5 23 23 A N E -B 38 0B 50 15,-0.7 15,-1.9 -2,-0.1 2,-0.3 -0.952 12.8-164.8-139.9 141.5 22.1 79.0 28.9 24 24 A Y E -B 37 0B 66 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.943 17.5-167.2-136.6 156.5 20.3 80.3 32.0 25 25 A L E +B 36 0B 6 11,-1.6 11,-2.5 -2,-0.3 3,-0.2 -0.985 13.7 165.6-139.3 124.2 20.7 80.4 35.8 26 26 A D E + 0 0 91 -2,-0.3 7,-0.9 9,-0.2 8,-0.1 0.148 68.1 70.6-127.5 21.6 17.9 81.3 38.1 27 27 A D E +B 32 0B 90 5,-0.1 -1,-0.1 6,-0.1 8,-0.1 -0.102 58.5 143.3-126.1 33.0 19.4 80.1 41.3 28 28 A L E > -B 31 0B 6 3,-0.5 3,-0.7 6,-0.5 2,-0.5 -0.479 59.9-105.2 -74.4 153.2 22.2 82.5 42.0 29 29 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 -0.703 108.0 16.1 -78.2 120.2 22.7 83.3 45.7 30 30 A G T 3 S+ 0 0 65 -2,-0.5 75,-0.1 78,-0.0 -2,-0.0 0.015 114.0 79.3 105.9 -20.0 21.4 86.9 46.4 31 31 A Y E X S-B 28 0B 13 -3,-0.7 3,-1.6 3,-0.1 -3,-0.5 -0.469 70.6-171.4-115.4 52.8 19.4 86.9 43.1 32 32 A P E 3 -B 27 0B 68 0, 0.0 -30,-0.4 0, 0.0 -5,-0.1 -0.373 70.0 -8.4 -60.7 115.8 16.3 84.8 44.1 33 33 A G E 3 S+ 0 0 58 -7,-0.9 2,-0.5 1,-0.3 -6,-0.1 0.470 99.3 128.2 78.2 10.3 14.1 83.9 41.1 34 34 A L E < - 0 0 6 -3,-1.6 2,-0.5 -6,-0.2 -6,-0.5 -0.860 50.9-146.0 -97.2 126.1 16.0 86.1 38.7 35 35 A R E - 0 0 44 -2,-0.5 54,-2.7 -3,-0.1 2,-0.3 -0.886 11.8-162.7-100.9 125.9 17.1 84.3 35.6 36 36 A A E -B 25 0B 1 -11,-2.5 -11,-1.6 -2,-0.5 2,-0.4 -0.806 7.0-146.7-105.2 139.5 20.4 85.4 34.0 37 37 A H E +B 24 0B 0 44,-0.5 44,-3.4 -2,-0.3 2,-0.3 -0.871 23.6 163.8-110.8 145.1 21.3 84.5 30.5 38 38 A Y E -BC 23 80B 22 -15,-1.9 -15,-0.7 -2,-0.4 2,-0.3 -0.978 33.1-121.0-158.4 147.7 24.8 83.7 29.3 39 39 A L E - C 0 79B 1 40,-2.1 40,-1.7 -2,-0.3 2,-0.4 -0.692 17.3-168.0 -90.0 144.7 26.6 82.2 26.3 40 40 A D E + C 0 78B 36 -19,-0.5 2,-0.3 -2,-0.3 38,-0.2 -0.865 22.5 172.0-135.1 94.0 28.8 79.2 26.8 41 41 A E E + C 0 77B 53 36,-2.9 36,-3.1 -2,-0.4 2,-0.1 -0.735 34.3 13.4-114.2 156.2 30.7 78.7 23.7 42 42 A G E S- C 0 76B 40 -2,-0.3 2,-0.5 34,-0.2 34,-0.2 -0.232 110.7 -10.1 80.4-165.4 33.6 76.4 22.6 43 43 A N > - 0 0 90 32,-0.5 3,-2.1 28,-0.3 -2,-0.1 -0.525 55.5-152.9 -70.3 115.4 34.9 73.5 24.5 44 44 A S T 3 S+ 0 0 70 -2,-0.5 -1,-0.2 1,-0.3 32,-0.1 0.470 96.1 51.8 -67.3 -3.5 33.4 73.4 28.0 45 45 A D T 3 S+ 0 0 142 30,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.171 80.1 131.5-113.2 7.8 36.5 71.6 29.2 46 46 A A < - 0 0 19 -3,-2.1 29,-0.1 1,-0.1 28,-0.0 -0.213 60.1-133.7 -60.8 154.5 39.0 74.0 27.8 47 47 A E S S+ 0 0 139 27,-0.2 2,-0.4 1,-0.1 69,-0.2 0.923 90.4 61.5 -72.6 -47.2 41.7 75.2 30.1 48 48 A D - 0 0 27 26,-0.2 28,-2.6 70,-0.0 2,-0.4 -0.671 65.7-168.4 -87.7 132.4 41.2 78.8 29.1 49 49 A V E -de 76 118B 6 68,-1.9 70,-2.6 -2,-0.4 2,-0.6 -0.985 10.6-152.8-118.7 129.8 38.0 80.7 29.6 50 50 A F E -de 77 119B 0 26,-2.7 28,-2.9 -2,-0.4 2,-0.8 -0.910 9.8-160.1 -97.6 118.9 37.3 84.1 28.1 51 51 A L E -de 78 120B 0 68,-2.0 70,-2.4 -2,-0.6 2,-0.7 -0.903 9.0-161.3-102.4 107.1 34.8 85.9 30.3 52 52 A C E - e 0 121B 0 26,-3.1 2,-0.4 -2,-0.8 70,-0.2 -0.847 5.2-167.8 -95.6 106.8 33.3 88.6 28.0 53 53 A L - 0 0 0 68,-2.3 70,-0.2 -2,-0.7 73,-0.2 -0.829 5.0-157.0 -97.3 127.6 31.5 91.4 29.9 54 54 A H - 0 0 1 26,-0.5 2,-0.1 -2,-0.4 69,-0.1 -0.380 8.1-156.4 -95.8 174.3 29.4 93.9 28.0 55 55 A G > + 0 0 0 70,-0.2 3,-1.3 4,-0.2 69,-0.1 -0.364 39.4 1.7-129.0-153.6 28.4 97.5 29.1 56 56 A E T 3 S- 0 0 0 1,-0.3 -1,-0.1 -2,-0.1 69,-0.1 -0.658 120.1 -10.3 -78.8 135.0 25.8 100.2 28.6 57 57 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 162,-0.1 -0.578 115.9 76.7-116.3 46.7 23.3 99.8 26.8 58 58 A T < - 0 0 0 -3,-1.3 2,-0.2 27,-0.1 28,-0.2 -0.062 53.3-144.6-103.9-162.1 24.2 96.5 25.1 59 59 A W > - 0 0 1 26,-0.1 3,-2.7 -3,-0.1 4,-0.3 -0.860 51.7 -63.7-151.4-172.2 24.3 92.7 25.7 60 60 A S G > S+ 0 0 0 1,-0.3 3,-1.7 -2,-0.2 4,-0.3 0.703 117.4 81.5 -57.7 -16.9 26.3 89.7 24.8 61 61 A Y G > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.769 80.5 69.7 -57.1 -24.0 25.2 90.3 21.2 62 62 A L G < S+ 0 0 0 -3,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.798 96.3 49.5 -65.3 -27.7 28.1 92.8 21.3 63 63 A Y G X> S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.3 3,-1.4 0.402 76.1 113.8 -93.6 3.0 30.7 90.0 21.4 64 64 A R T <4 S+ 0 0 8 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.665 78.9 43.5 -50.4 -20.1 29.2 88.2 18.5 65 65 A K T 34 S+ 0 0 75 -3,-0.4 4,-0.3 227,-0.3 -1,-0.3 0.643 117.6 44.6-102.1 -14.0 32.2 88.8 16.2 66 66 A M T <> S+ 0 0 0 -3,-1.4 4,-2.4 2,-0.1 3,-0.3 0.773 98.3 72.0 -93.7 -34.6 34.9 88.0 18.9 67 67 A I H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.901 97.5 47.5 -48.7 -52.8 33.2 84.9 20.3 68 68 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.832 109.9 52.6 -63.5 -35.0 33.9 82.6 17.3 69 69 A V H > S+ 0 0 11 -4,-0.3 4,-0.8 -3,-0.3 -2,-0.2 0.909 111.3 46.3 -68.8 -39.9 37.5 83.7 17.1 70 70 A F H ><>S+ 0 0 0 -4,-2.4 5,-1.5 1,-0.2 3,-0.5 0.917 113.5 49.3 -69.4 -36.7 38.1 82.9 20.8 71 71 A A H ><5S+ 0 0 19 -4,-2.3 3,-1.3 -5,-0.2 -28,-0.3 0.854 105.5 56.1 -67.9 -34.8 36.3 79.5 20.5 72 72 A E H 3<5S+ 0 0 168 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.682 98.2 63.7 -72.6 -16.6 38.2 78.4 17.4 73 73 A S T <<5S- 0 0 65 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.510 127.1 -98.9 -81.7 -9.2 41.5 79.0 19.3 74 74 A G T < 5S+ 0 0 46 -3,-1.3 -27,-0.2 1,-0.3 -26,-0.2 0.504 81.8 129.3 101.2 9.5 40.4 76.2 21.7 75 75 A A < - 0 0 0 -5,-1.5 -32,-0.5 -29,-0.1 2,-0.4 -0.513 58.4-123.7 -93.8 161.3 39.0 78.3 24.5 76 76 A R E -Cd 42 49B 39 -28,-2.6 -26,-2.7 -34,-0.2 2,-0.5 -0.837 29.2-151.2 -95.9 139.7 35.6 78.2 26.3 77 77 A V E -Cd 41 50B 2 -36,-3.1 -36,-2.9 -2,-0.4 2,-0.4 -0.982 12.1-169.9-121.9 126.1 33.8 81.6 26.1 78 78 A I E +Cd 40 51B 0 -28,-2.9 -26,-3.1 -2,-0.5 -38,-0.2 -0.957 8.8 173.3-112.2 130.7 31.4 82.8 28.7 79 79 A A E -C 39 0B 0 -40,-1.7 -40,-2.1 -2,-0.4 2,-0.1 -0.773 12.3-170.8-140.5 88.9 29.4 86.0 27.8 80 80 A P E -C 38 0B 4 0, 0.0 2,-0.5 0, 0.0 -26,-0.5 -0.467 19.3-133.4 -82.0 154.3 26.7 86.7 30.4 81 81 A D - 0 0 0 -44,-3.4 -44,-0.5 -2,-0.1 -22,-0.1 -0.924 27.5-124.0-101.9 131.0 24.0 89.3 30.0 82 82 A F > - 0 0 4 -2,-0.5 3,-1.9 1,-0.1 6,-0.3 -0.331 39.8 -86.6 -68.5 155.3 23.7 91.6 33.2 83 83 A F T 3 S+ 0 0 0 1,-0.2 7,-0.2 4,-0.1 -1,-0.1 -0.468 122.0 36.7 -58.8 136.7 20.2 91.7 34.8 84 84 A G T 3 S+ 0 0 0 5,-1.5 2,-0.3 1,-0.2 135,-0.3 0.214 112.8 80.1 97.6 -3.9 18.2 94.5 33.0 85 85 A F S X S- 0 0 0 -3,-1.9 3,-1.7 4,-0.4 -1,-0.2 -0.902 89.4 -20.3-136.3 159.3 19.9 93.5 29.7 86 86 A G T 3 S- 0 0 0 -2,-0.3 -79,-0.2 1,-0.3 -2,-0.1 -0.195 120.2 -23.3 47.8-127.4 19.9 91.1 26.7 87 87 A K T 3 S+ 0 0 21 -81,-0.1 -1,-0.3 -50,-0.1 -49,-0.1 0.382 111.1 102.0 -95.0 1.8 18.0 87.8 27.7 88 88 A S S < S- 0 0 0 -3,-1.7 -81,-0.4 -6,-0.3 -52,-0.3 -0.394 85.1 -86.1 -76.0 170.4 18.4 88.0 31.4 89 89 A D - 0 0 8 -54,-2.7 -5,-1.5 -83,-0.1 -4,-0.4 -0.429 39.6-135.7 -73.6 152.3 15.5 89.2 33.6 90 90 A K E -A 5 0A 1 -85,-3.4 -85,-2.6 -7,-0.2 127,-0.1 -0.927 4.9-139.2-121.4 108.4 15.0 92.9 34.2 91 91 A P E -A 4 0A 1 0, 0.0 -87,-0.3 0, 0.0 126,-0.3 -0.307 16.9-139.0 -56.7 142.6 14.2 94.4 37.6 92 92 A V S S+ 0 0 36 -89,-2.1 2,-0.5 125,-0.1 -88,-0.1 0.606 76.7 68.7 -81.8 -20.4 11.6 97.2 37.2 93 93 A D >> - 0 0 81 -90,-0.5 3,-1.8 1,-0.1 4,-0.5 -0.879 69.0-143.8-109.5 133.0 12.9 99.8 39.6 94 94 A E G >4 S+ 0 0 50 -2,-0.5 3,-1.1 1,-0.3 -1,-0.1 0.813 98.1 69.4 -57.5 -31.4 16.1 101.7 39.0 95 95 A E G 34 S+ 0 0 172 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.695 89.2 64.6 -62.9 -16.8 16.8 101.7 42.7 96 96 A D G <4 S+ 0 0 41 -3,-1.8 2,-0.7 1,-0.1 -1,-0.2 0.791 86.9 81.6 -77.0 -27.7 17.5 97.9 42.5 97 97 A Y << + 0 0 0 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.1 -0.755 57.3 152.1 -89.9 119.5 20.4 98.4 40.3 98 98 A T > - 0 0 50 -2,-0.7 4,-1.5 1,-0.1 5,-0.2 -0.835 57.0-103.6-136.2 168.7 23.5 99.3 42.2 99 99 A F H > S+ 0 0 3 -2,-0.3 4,-1.7 1,-0.2 3,-0.1 0.925 122.9 43.8 -59.4 -50.3 27.3 98.9 41.5 100 100 A E H > S+ 0 0 76 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.842 106.5 61.5 -67.5 -36.2 27.5 96.0 44.0 101 101 A F H > S+ 0 0 23 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.894 112.9 36.6 -59.8 -39.4 24.3 94.4 42.8 102 102 A H H X S+ 0 0 1 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.776 118.6 52.0 -84.3 -27.4 25.8 93.9 39.4 103 103 A R H X S+ 0 0 26 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.914 107.6 49.8 -74.8 -39.7 29.2 93.2 40.9 104 104 A N H X S+ 0 0 67 -4,-3.7 4,-2.5 2,-0.2 -1,-0.2 0.819 105.7 58.3 -66.3 -33.5 28.0 90.5 43.3 105 105 A F H X S+ 0 0 0 -4,-0.9 4,-2.8 -5,-0.3 -1,-0.2 0.934 106.0 49.9 -62.0 -43.4 26.1 88.8 40.3 106 106 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.908 112.2 45.7 -64.5 -41.9 29.5 88.5 38.5 107 107 A L H X S+ 0 0 33 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.921 114.3 50.5 -67.0 -40.7 31.2 86.9 41.6 108 108 A A H X S+ 0 0 14 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.929 111.8 47.0 -61.3 -47.2 28.1 84.7 42.0 109 109 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.921 112.5 49.2 -58.9 -51.5 28.3 83.6 38.3 110 110 A I H X>S+ 0 0 4 -4,-2.3 5,-1.4 2,-0.2 4,-0.8 0.938 116.0 42.3 -58.5 -48.2 32.0 82.9 38.5 111 111 A E H <5S+ 0 0 132 -4,-2.5 3,-0.2 -5,-0.2 -2,-0.2 0.959 113.9 52.3 -65.5 -45.3 31.7 80.8 41.7 112 112 A R H <5S+ 0 0 118 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.912 118.7 35.0 -57.0 -49.2 28.6 79.0 40.4 113 113 A L H <5S- 0 0 30 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.540 105.4-132.3 -82.9 -8.6 30.2 78.0 37.1 114 114 A D T <5 - 0 0 94 -4,-0.8 -3,-0.2 -5,-0.3 2,-0.2 0.929 31.1-165.2 54.8 51.1 33.5 77.6 38.9 115 115 A L < + 0 0 1 -5,-1.4 2,-0.3 -6,-0.1 -1,-0.1 -0.443 13.5 171.5 -72.8 136.2 35.5 79.5 36.2 116 116 A R + 0 0 104 -2,-0.2 -67,-0.2 -69,-0.2 24,-0.1 -0.921 56.1 32.9-139.5 159.6 39.3 79.2 36.3 117 117 A N S S- 0 0 55 22,-0.4 -68,-1.9 -2,-0.3 2,-0.3 0.888 83.2-173.0 53.4 45.7 42.1 80.4 33.9 118 118 A I E -ef 49 141B 0 22,-2.3 24,-2.9 -70,-0.2 25,-2.1 -0.536 27.8-161.2 -79.5 132.8 40.0 83.5 33.0 119 119 A T E -ef 50 143B 0 -70,-2.6 -68,-2.0 -2,-0.3 2,-0.4 -0.971 24.6-142.5-106.5 104.2 40.9 85.9 30.4 120 120 A L E -ef 51 144B 1 23,-2.4 25,-3.9 -2,-0.7 2,-0.5 -0.598 16.0-169.1 -75.3 125.1 38.9 88.9 31.3 121 121 A V E +ef 52 145B 0 -70,-2.4 -68,-2.3 -2,-0.4 2,-0.3 -0.979 21.7 165.3-116.9 109.1 37.5 90.8 28.2 122 122 A V E + f 0 146B 0 23,-2.2 25,-2.2 -2,-0.5 2,-0.3 -0.867 20.3 162.0-130.2 166.2 36.0 94.1 29.2 123 123 A Q > - 0 0 0 -2,-0.3 3,-2.1 -70,-0.2 4,-0.3 -0.825 64.6 -19.6-174.3 142.5 34.8 97.5 27.9 124 124 A D T >> S- 0 0 5 24,-2.7 3,-2.0 1,-0.3 4,-1.7 -0.184 135.4 -3.0 51.9-136.6 32.7 100.2 29.4 125 125 A W H 3> S+ 0 0 4 1,-0.3 4,-1.5 2,-0.3 5,-0.4 0.698 130.4 66.3 -61.1 -21.0 30.6 99.0 32.2 126 126 A G H <> S+ 0 0 0 -3,-2.1 4,-1.8 -73,-0.2 -1,-0.3 0.864 111.3 37.4 -64.5 -32.8 32.0 95.5 31.6 127 127 A G H <> S+ 0 0 0 -3,-2.0 4,-2.8 -4,-0.3 -2,-0.3 0.860 108.3 59.2 -88.4 -41.2 35.3 97.1 32.7 128 128 A F H < S+ 0 0 4 -4,-1.7 24,-0.3 2,-0.2 -3,-0.2 0.898 124.5 26.9 -53.0 -42.1 34.0 99.4 35.5 129 129 A L H >< S+ 0 0 0 -4,-1.5 3,-1.4 -5,-0.2 -2,-0.2 0.919 122.5 50.6 -83.8 -56.0 32.7 96.3 37.2 130 130 A G H >< S+ 0 0 0 -4,-1.8 3,-1.2 -5,-0.4 -3,-0.2 0.732 98.7 64.0 -64.1 -28.9 35.0 93.6 35.8 131 131 A L T 3< S+ 0 0 1 -4,-2.8 4,-0.3 1,-0.2 -1,-0.3 0.649 101.8 54.7 -71.7 -10.6 38.3 95.4 36.7 132 132 A T T < S+ 0 0 0 -3,-1.4 -1,-0.2 -5,-0.2 4,-0.2 0.437 91.4 76.3 -97.5 -0.3 37.3 95.0 40.3 133 133 A L S X> S+ 0 0 0 -3,-1.2 3,-1.8 -4,-0.2 4,-0.7 0.906 79.8 63.8 -78.2 -45.1 36.8 91.2 40.2 134 134 A P G >4 S+ 0 0 1 0, 0.0 3,-1.3 0, 0.0 6,-0.2 0.880 95.3 58.1 -51.1 -43.3 40.4 89.9 40.2 135 135 A M G 34 S+ 0 0 37 -4,-0.3 -2,-0.1 1,-0.3 -3,-0.1 0.700 97.8 64.3 -61.3 -16.6 41.3 91.2 43.7 136 136 A A G <4 S- 0 0 51 -3,-1.8 -1,-0.3 1,-0.3 -3,-0.1 0.800 129.4 -0.6 -77.3 -28.5 38.4 89.2 45.1 137 137 A D S X< S- 0 0 45 -3,-1.3 3,-1.4 -4,-0.7 4,-0.3 -0.496 70.5-176.4-162.0 80.0 40.0 85.9 44.0 138 138 A P G > S+ 0 0 75 0, 0.0 3,-1.5 0, 0.0 -3,-0.1 0.784 74.1 69.0 -55.3 -35.4 43.3 86.4 42.3 139 139 A S G 3 S+ 0 0 78 1,-0.3 -22,-0.4 -22,-0.0 -2,-0.0 0.741 92.4 56.6 -61.0 -28.7 43.9 82.8 41.5 140 140 A R G < S+ 0 0 22 -3,-1.4 -22,-2.3 -6,-0.2 2,-0.5 0.577 94.5 80.1 -83.4 -3.0 41.1 82.5 39.0 141 141 A F E < +f 118 0B 17 -3,-1.5 -22,-0.2 -4,-0.3 3,-0.1 -0.900 38.3 152.6-110.3 129.9 42.4 85.3 36.7 142 142 A K E + 0 0 55 -24,-2.9 109,-1.4 -2,-0.5 2,-0.3 0.662 61.8 18.2-121.3 -27.9 45.2 84.9 34.3 143 143 A R E -fg 119 251B 4 -25,-2.1 -23,-2.4 107,-0.2 2,-0.3 -0.928 53.6-153.9-141.1 168.6 44.8 87.4 31.4 144 144 A L E -fg 120 252B 0 107,-1.5 109,-1.4 -2,-0.3 2,-0.5 -0.991 6.5-168.2-145.1 137.6 43.0 90.6 30.5 145 145 A I E -fg 121 253B 0 -25,-3.9 -23,-2.2 -2,-0.3 2,-0.6 -0.968 23.3-167.8-121.2 107.5 41.9 92.1 27.2 146 146 A I E +fg 122 254B 0 107,-2.3 109,-2.2 -2,-0.5 2,-0.3 -0.900 12.8 177.2-111.2 123.0 40.9 95.7 27.9 147 147 A M - 0 0 0 -25,-2.2 109,-0.2 -2,-0.6 -23,-0.1 -0.772 64.5 -32.6-109.3 156.5 39.0 97.9 25.5 148 148 A N S S+ 0 0 0 107,-0.5 -24,-2.7 -2,-0.3 2,-0.3 0.287 98.6 110.0 -11.9 96.6 37.9 101.5 26.4 149 149 A A + 0 0 0 -26,-0.2 2,-0.2 114,-0.1 122,-0.1 -0.915 34.8 174.2-166.6 174.6 37.2 101.3 30.2 150 150 A C - 0 0 0 -26,-0.3 2,-0.4 -2,-0.3 -19,-0.2 -0.849 39.3 -68.6-168.4-168.3 38.6 102.5 33.5 151 151 A L - 0 0 0 -2,-0.2 2,-1.9 -20,-0.1 -23,-0.1 -0.893 31.2-127.9-109.7 141.5 37.8 102.5 37.2 152 152 A M + 0 0 0 -2,-0.4 85,-0.3 -24,-0.3 86,-0.2 -0.489 57.2 148.5 -84.7 63.6 35.0 104.4 38.9 153 153 A T - 0 0 0 -2,-1.9 81,-0.1 84,-0.2 82,-0.1 -0.222 53.8 -81.1 -87.9 174.3 37.4 106.0 41.4 154 154 A D > - 0 0 42 80,-0.2 4,-1.5 1,-0.1 7,-0.2 -0.468 41.7-109.0 -79.4 162.1 37.0 109.5 43.0 155 155 A P T 4 S+ 0 0 76 0, 0.0 7,-0.2 0, 0.0 8,-0.1 0.753 111.9 54.1 -61.1 -32.4 38.1 112.6 41.2 156 156 A V T 4 S+ 0 0 131 1,-0.2 6,-0.0 2,-0.2 -3,-0.0 0.951 107.9 45.0 -71.5 -51.5 41.0 113.3 43.3 157 157 A T T 4 S+ 0 0 57 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 0.903 136.4 9.8 -62.4 -35.3 42.8 110.0 43.1 158 158 A Q >< + 0 0 41 -4,-1.5 3,-1.0 1,-0.1 -1,-0.3 -0.724 61.2 177.1-146.7 92.9 42.3 109.8 39.3 159 159 A P T >> S+ 0 0 84 0, 0.0 4,-2.9 0, 0.0 3,-1.4 0.737 81.5 68.1 -67.7 -23.5 41.0 113.0 37.6 160 160 A A H 3> S+ 0 0 24 1,-0.2 4,-0.6 2,-0.2 111,-0.0 0.846 98.0 52.1 -65.3 -27.2 41.2 111.2 34.2 161 161 A F H <4 S+ 0 0 0 -3,-1.0 -1,-0.2 -7,-0.2 -11,-0.1 0.337 119.6 34.5 -87.6 2.8 38.4 108.8 35.3 162 162 A S H X4 S+ 0 0 24 -3,-1.4 3,-1.4 -7,-0.2 4,-0.3 0.558 98.7 76.8-126.7 -32.7 36.1 111.7 36.3 163 163 A A H >X S+ 0 0 57 -4,-2.9 4,-1.9 1,-0.2 3,-1.3 0.832 86.7 61.2 -53.1 -43.4 37.0 114.5 33.7 164 164 A F T 3< S+ 0 0 9 -4,-0.6 8,-0.8 1,-0.3 9,-0.3 0.561 87.4 74.1 -62.0 -15.1 35.0 113.0 30.8 165 165 A V T <4 S+ 0 0 29 -3,-1.4 -1,-0.3 7,-0.1 -2,-0.2 0.844 112.1 23.8 -65.2 -39.4 31.7 113.2 32.6 166 166 A T T <4 S+ 0 0 104 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.1 0.703 109.6 88.0 -99.6 -35.5 31.6 117.0 32.1 167 167 A Q S < S+ 0 0 152 -4,-1.9 -1,-0.2 95,-0.1 5,-0.1 -0.979 78.0 24.9-128.6 141.6 33.7 117.6 29.1 168 168 A P > > - 0 0 59 0, 0.0 3,-1.6 0, 0.0 5,-0.8 0.641 69.3-141.2 -86.1 168.4 33.2 117.6 26.1 169 169 A A T 3 5S+ 0 0 77 1,-0.3 5,-0.4 -2,-0.1 -2,-0.1 0.806 103.3 51.0 -58.9 -34.0 29.5 118.4 25.8 170 170 A D T 3 5S+ 0 0 79 3,-0.2 -1,-0.3 4,-0.1 91,-0.1 0.118 106.6 62.3 -91.0 17.0 29.2 115.9 22.9 171 171 A G T <>5S- 0 0 0 -3,-1.6 4,-2.6 90,-0.1 3,-0.3 0.382 122.2 -15.8-107.9-116.3 30.8 113.0 24.9 172 172 A F H >5S+ 0 0 4 -8,-0.8 4,-3.3 89,-0.4 5,-0.3 0.834 134.4 59.1 -64.8 -32.3 29.5 111.5 28.1 173 173 A T H > S+ 0 0 24 -5,-0.4 4,-2.7 -3,-0.3 5,-0.2 0.884 114.5 53.1 -68.5 -47.0 25.4 113.7 25.2 175 175 A W H X S+ 0 0 5 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.960 111.6 42.7 -54.9 -52.7 25.5 110.0 26.0 176 176 A K H X S+ 0 0 65 -4,-3.3 4,-2.6 1,-0.2 3,-0.4 0.914 113.1 53.8 -63.4 -40.5 23.8 110.3 29.3 177 177 A Y H X S+ 0 0 147 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.941 107.3 50.7 -59.7 -45.7 21.3 112.8 27.9 178 178 A D H < S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.765 118.5 40.2 -59.4 -28.0 20.3 110.4 25.0 179 179 A L H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.859 121.1 32.1 -95.4 -41.9 19.8 107.6 27.5 180 180 A V H < S+ 0 0 33 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.561 114.4 53.7 -99.7 -6.1 18.1 109.0 30.6 181 181 A T S < S+ 0 0 67 -4,-1.4 -3,-0.1 -5,-0.4 -2,-0.1 0.900 80.0 88.2 -98.6 -43.9 15.9 111.8 29.2 182 182 A P - 0 0 47 0, 0.0 3,-0.4 0, 0.0 -4,-0.0 -0.218 55.1-159.2 -58.8 140.4 13.8 110.3 26.4 183 183 A S S S+ 0 0 111 1,-0.3 2,-0.3 0, 0.0 30,-0.2 0.680 96.3 46.4 -88.7 -14.9 10.5 108.9 27.6 184 184 A D S S- 0 0 94 28,-0.1 2,-0.5 29,-0.0 -1,-0.3 -0.713 82.6-173.9-127.0 74.0 10.6 106.9 24.3 185 185 A L - 0 0 15 -3,-0.4 2,-0.7 -2,-0.3 -6,-0.1 -0.627 8.4-165.6 -77.6 115.7 14.1 105.5 24.1 186 186 A R > - 0 0 128 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.892 3.3-168.9-106.4 105.4 14.9 103.7 20.9 187 187 A L H > S+ 0 0 2 -2,-0.7 4,-2.1 1,-0.2 5,-0.1 0.746 85.5 58.0 -68.9 -24.0 18.1 101.7 21.4 188 188 A D H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.924 110.9 43.1 -69.5 -45.1 18.4 101.0 17.6 189 189 A Q H > S+ 0 0 117 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.946 113.8 51.8 -64.7 -45.0 18.5 104.7 16.9 190 190 A F H >X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 3,-0.6 0.925 111.7 47.2 -57.4 -47.0 20.8 105.3 19.9 191 191 A M H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.3 7,-0.3 0.832 107.2 53.9 -66.1 -35.3 23.3 102.6 18.6 192 192 A K H 3< S+ 0 0 88 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.716 111.9 48.2 -72.6 -18.8 23.4 103.8 15.1 193 193 A R H << S+ 0 0 165 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.881 119.4 36.1 -82.0 -49.3 24.3 107.2 16.5 194 194 A W H < S+ 0 0 38 -4,-2.3 95,-0.5 1,-0.3 96,-0.4 0.605 129.1 34.4 -81.8 -12.5 27.0 105.9 18.8 195 195 A A S >< S- 0 0 8 -4,-1.9 3,-2.3 -5,-0.2 -1,-0.3 -0.597 72.0-176.5-143.5 71.6 28.3 103.1 16.4 196 196 A P T 3 S+ 0 0 108 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.552 75.8 60.4 -48.1 -20.7 27.9 104.6 13.0 197 197 A T T 3 S+ 0 0 94 2,-0.0 -5,-0.1 0, 0.0 0, 0.0 0.511 75.3 114.4 -91.0 -6.1 29.0 101.4 11.2 198 198 A L < - 0 0 13 -3,-2.3 2,-0.2 -7,-0.3 -3,-0.0 -0.298 65.2-127.4 -59.0 145.0 26.2 99.1 12.5 199 199 A T > - 0 0 69 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.488 27.6-102.5 -86.8 169.0 23.8 97.9 9.9 200 200 A E H > S+ 0 0 156 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.905 122.7 52.6 -54.8 -45.7 20.1 98.3 10.3 201 201 A A H > S+ 0 0 40 1,-0.2 4,-1.0 2,-0.2 -185,-0.3 0.893 109.6 45.6 -58.4 -49.5 19.8 94.7 11.3 202 202 A E H > S+ 0 0 20 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.874 109.4 56.4 -63.9 -39.7 22.5 94.8 14.0 203 203 A A H X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 3,-0.5 0.847 105.5 52.0 -60.1 -35.9 21.0 98.1 15.4 204 204 A S H X S+ 0 0 62 -4,-1.6 4,-1.3 1,-0.2 3,-0.4 0.775 99.9 62.5 -73.6 -25.9 17.7 96.3 15.9 205 205 A A H < S+ 0 0 1 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.787 100.7 54.5 -69.6 -25.7 19.3 93.5 17.8 206 206 A Y H < S+ 0 0 1 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.723 111.6 42.9 -79.7 -17.5 20.4 96.0 20.4 207 207 A A H >< S+ 0 0 16 -4,-0.6 3,-2.0 -3,-0.4 -2,-0.2 0.604 91.5 92.4 -97.3 -16.9 16.7 97.2 20.8 208 208 A A T 3< S+ 0 0 5 -4,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.818 79.0 55.5 -47.2 -40.4 15.5 93.6 20.8 209 209 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.735 102.3 61.5 -72.7 -16.8 15.6 93.1 24.5 210 210 A F < + 0 0 11 -3,-2.0 -23,-0.2 1,-0.1 3,-0.1 -0.822 48.2 171.6-120.6 94.1 13.3 96.2 25.2 211 211 A P S S- 0 0 48 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.770 77.7 -5.9 -63.0 -30.7 9.8 96.2 23.9 212 212 A D S > S- 0 0 81 -26,-0.0 3,-2.5 -28,-0.0 4,-0.2 -0.934 84.5 -87.0-161.4 165.4 8.9 99.3 25.9 213 213 A T G > S+ 0 0 55 1,-0.3 3,-1.9 -2,-0.3 -29,-0.0 0.685 113.9 75.2 -52.9 -25.2 10.4 101.6 28.5 214 214 A S G 3 S+ 0 0 55 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.713 96.9 51.2 -63.7 -16.7 9.2 99.4 31.4 215 215 A Y G < S+ 0 0 35 -3,-2.5 3,-0.3 1,-0.2 -1,-0.3 0.432 96.2 72.0 -96.7 -3.2 12.0 97.1 30.4 216 216 A Q <> + 0 0 7 -3,-1.9 4,-2.0 -4,-0.2 -1,-0.2 0.011 51.9 114.6-110.0 30.6 14.8 99.7 30.4 217 217 A A H > S+ 0 0 0 -3,-0.3 4,-1.8 -126,-0.3 -1,-0.2 0.870 83.6 47.4 -67.1 -35.0 15.3 100.5 34.1 218 218 A G H > S+ 0 0 0 -3,-0.3 4,-1.3 -127,-0.3 -1,-0.2 0.880 109.1 53.6 -73.9 -36.2 18.8 99.1 34.1 219 219 A V H 4 S+ 0 0 0 -135,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.875 110.5 48.6 -60.5 -42.2 19.6 101.0 30.9 220 220 A R H X S+ 0 0 51 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.853 109.3 51.5 -64.9 -44.1 18.5 104.2 32.6 221 221 A K H X S+ 0 0 41 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.796 93.4 70.7 -71.1 -30.3 20.5 103.6 35.8 222 222 A F H X S+ 0 0 0 -4,-1.3 4,-0.9 1,-0.2 3,-0.5 0.941 99.3 44.6 -58.8 -51.1 24.0 103.0 34.4 223 223 A P H >> S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.866 110.8 57.2 -61.3 -31.0 24.8 106.4 33.2 224 224 A K H 3X S+ 0 0 53 -4,-0.7 4,-2.6 1,-0.3 -2,-0.2 0.784 103.6 53.0 -67.9 -31.4 23.5 107.8 36.4 225 225 A M H 3< S+ 0 0 16 -4,-1.6 -1,-0.3 -3,-0.5 -3,-0.1 0.693 104.5 54.2 -81.3 -14.0 25.9 105.7 38.3 226 226 A V H << S+ 0 0 4 -4,-0.9 3,-0.3 -3,-0.5 -2,-0.2 0.873 115.6 41.4 -77.2 -35.1 28.8 107.0 36.3 227 227 A A H < S+ 0 0 40 -4,-1.5 2,-0.5 1,-0.2 -2,-0.2 0.840 122.7 39.0 -71.7 -45.2 27.6 110.5 37.3 228 228 A Q S < S- 0 0 135 -4,-2.6 2,-0.5 -5,-0.1 -1,-0.2 -0.779 75.0-166.8-120.0 86.4 26.9 109.7 40.9 229 229 A R - 0 0 37 -2,-0.5 -3,-0.1 -3,-0.3 -4,-0.1 -0.613 13.2-144.3 -75.7 114.4 29.4 107.3 42.4 230 230 A D > - 0 0 75 -2,-0.5 4,-1.9 -5,-0.1 5,-0.2 -0.295 27.6-103.6 -73.3 164.7 28.3 105.8 45.7 231 231 A Q H > S+ 0 0 124 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.871 118.0 53.6 -61.1 -42.9 30.8 105.1 48.5 232 232 A A H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 110.0 48.3 -59.8 -44.7 31.0 101.4 48.0 233 233 A C H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.896 113.7 47.8 -58.8 -45.9 31.8 101.8 44.3 234 234 A I H X S+ 0 0 24 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.931 114.2 46.0 -60.9 -50.5 34.5 104.4 45.1 235 235 A D H X S+ 0 0 88 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.925 116.9 43.3 -59.7 -47.7 36.1 102.3 47.8 236 236 A I H X S+ 0 0 22 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.901 115.3 47.9 -67.6 -43.2 36.1 99.1 45.7 237 237 A S H X S+ 0 0 0 -4,-2.7 4,-1.3 -85,-0.3 -84,-0.2 0.854 111.0 52.6 -67.4 -34.0 37.3 100.9 42.5 238 238 A T H X S+ 0 0 47 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.2 0.927 109.6 48.1 -68.9 -40.1 40.0 102.6 44.5 239 239 A E H X S+ 0 0 123 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.832 104.5 60.0 -70.2 -30.2 41.2 99.4 45.9 240 240 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.889 96.7 61.8 -65.7 -33.3 41.2 97.7 42.5 241 241 A I H X S+ 0 0 13 -4,-1.3 4,-2.7 1,-0.2 5,-0.3 0.962 104.2 48.3 -56.5 -45.5 43.8 100.4 41.3 242 242 A S H X>S+ 0 0 56 -4,-1.1 4,-2.5 1,-0.2 5,-0.8 0.919 108.9 53.8 -62.1 -40.0 46.2 99.1 43.9 243 243 A F H X>S+ 0 0 10 -4,-1.6 5,-2.0 1,-0.2 4,-1.4 0.953 111.9 44.3 -60.6 -48.5 45.6 95.5 42.8 244 244 A W H <5S+ 0 0 1 -4,-2.6 32,-2.4 3,-0.2 -2,-0.2 0.887 117.3 44.5 -66.3 -38.7 46.4 96.4 39.1 245 245 A Q H <5S+ 0 0 96 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.931 133.0 11.6 -74.5 -41.3 49.4 98.4 40.0 246 246 A N H <5S+ 0 0 96 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.758 130.1 38.3-109.8 -29.8 51.1 96.1 42.6 247 247 A D T < -h 284 0C 0 -2,-0.4 3,-1.6 6,-0.2 28,-0.2 -0.809 21.0-159.3 -88.9 107.0 38.8 102.8 19.9 258 258 A M T 3 S+ 0 0 57 26,-2.2 30,-0.2 -2,-1.0 -1,-0.2 0.680 82.4 59.9 -66.6 -21.3 40.4 106.2 18.9 259 259 A K T 3 S+ 0 0 138 28,-2.8 2,-0.4 25,-0.4 -1,-0.3 0.350 76.5 122.1 -89.9 10.0 37.2 107.9 17.8 260 260 A D < - 0 0 15 -3,-1.6 4,-0.5 28,-0.4 -89,-0.1 -0.633 42.3-171.0 -76.9 127.0 35.7 107.5 21.3 261 261 A K S S+ 0 0 112 -2,-0.4 -89,-0.4 -91,-0.1 -1,-0.2 0.567 84.5 47.0 -86.9 -15.1 34.7 110.8 22.9 262 262 A L S S+ 0 0 4 -91,-0.2 -98,-0.1 1,-0.1 -90,-0.1 0.933 129.7 3.4 -90.2 -67.4 34.0 109.1 26.2 263 263 A L S S+ 0 0 2 -6,-0.1 -6,-0.2 -115,-0.1 -114,-0.1 -0.263 91.9 127.1-122.9 53.7 36.8 106.8 27.1 264 264 A G S >> S- 0 0 3 -4,-0.5 4,-2.4 -116,-0.1 3,-1.7 0.351 78.4 -39.2 -81.4-150.1 39.4 107.2 24.4 265 265 A P H 3> S+ 0 0 37 0, 0.0 4,-1.7 0, 0.0 -7,-0.1 0.729 128.6 60.5 -53.7 -33.2 43.1 108.0 24.7 266 266 A D H 34 S+ 0 0 124 1,-0.2 -3,-0.0 2,-0.2 -102,-0.0 0.590 118.3 33.1 -74.0 -9.1 43.0 110.6 27.6 267 267 A V H <> S+ 0 0 0 -3,-1.7 4,-1.3 3,-0.1 -1,-0.2 0.722 117.7 52.6-106.1 -41.9 41.5 107.8 29.8 268 268 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.779 104.4 53.4 -70.2 -32.8 43.3 104.7 28.3 269 269 A Y H X S+ 0 0 95 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.2 0.901 111.4 46.8 -74.5 -36.7 46.9 105.9 28.6 270 270 A P H > S+ 0 0 41 0, 0.0 4,-1.2 0, 0.0 3,-0.4 0.899 113.3 48.7 -69.9 -32.7 46.4 106.7 32.2 271 271 A M H >X S+ 0 0 0 -4,-1.3 4,-1.1 1,-0.2 3,-0.6 0.936 105.5 59.1 -69.1 -44.9 44.8 103.3 32.6 272 272 A K H 3< S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.2 6,-0.2 0.792 103.1 52.8 -57.5 -22.7 47.6 101.7 30.8 273 273 A A H 3< S+ 0 0 79 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.832 106.1 52.4 -83.0 -29.6 50.0 103.1 33.4 274 274 A L H << S+ 0 0 15 -4,-1.2 2,-0.9 -3,-0.6 -1,-0.2 0.670 92.1 82.2 -79.3 -16.0 48.2 101.6 36.4 275 275 A I S >< S- 0 0 3 -4,-1.1 3,-2.3 -30,-0.1 -30,-0.2 -0.766 85.9-127.2 -93.0 104.6 48.1 98.1 35.0 276 276 A N T 3 S+ 0 0 73 -32,-2.4 -2,-0.1 -2,-0.9 -26,-0.1 -0.260 90.0 7.1 -56.0 130.2 51.3 96.4 35.8 277 277 A G T 3 S+ 0 0 63 1,-0.2 -25,-0.3 -4,-0.1 -1,-0.3 0.422 83.7 157.2 77.8 0.1 52.9 95.0 32.6 278 278 A C < - 0 0 12 -3,-2.3 -1,-0.2 -6,-0.2 -25,-0.1 -0.368 31.9-144.9 -56.4 125.6 50.4 96.5 30.2 279 279 A P - 0 0 34 0, 0.0 -25,-0.1 0, 0.0 -1,-0.1 -0.190 36.9 -57.6 -85.6-176.0 52.1 96.7 26.8 280 280 A E - 0 0 175 1,-0.1 -26,-0.4 -27,-0.1 2,-0.1 -0.301 67.8-109.3 -56.6 143.6 51.7 99.3 24.1 281 281 A P - 0 0 20 0, 0.0 2,-1.0 0, 0.0 -26,-0.2 -0.459 13.1-123.8 -82.5 155.2 48.1 99.6 23.0 282 282 A L E -h 255 0C 40 -28,-2.3 -26,-1.7 -2,-0.1 2,-0.6 -0.848 31.2-152.4 -93.5 100.3 46.6 98.5 19.7 283 283 A E E -h 256 0C 95 -2,-1.0 2,-0.9 -28,-0.2 -26,-0.2 -0.703 6.1-160.5 -82.5 116.5 45.1 101.8 18.5 284 284 A I E > -h 257 0C 6 -28,-2.6 -26,-2.2 -2,-0.6 3,-0.9 -0.879 3.2-165.9-100.4 104.2 42.1 101.2 16.2 285 285 A A T 3 S+ 0 0 64 -2,-0.9 -1,-0.2 1,-0.2 -28,-0.0 0.824 81.0 45.9 -60.5 -43.4 41.7 104.3 14.3 286 286 A D T 3 S+ 0 0 106 -28,-0.1 2,-0.3 -27,-0.0 -1,-0.2 0.531 93.0 96.3 -83.2 -4.9 38.3 103.7 12.9 287 287 A A < - 0 0 0 -3,-0.9 -28,-2.8 -31,-0.2 -27,-0.4 -0.728 49.4-168.0 -93.0 143.3 36.6 102.5 16.1 288 288 A G - 0 0 21 -2,-0.3 -28,-0.4 -29,-0.2 -29,-0.1 0.325 59.8 -47.6 -96.8-140.4 34.5 104.5 18.5 289 289 A H S S+ 0 0 3 -95,-0.5 2,-1.7 -30,-0.2 3,-0.2 0.831 127.1 66.5 -69.6 -34.1 33.3 103.4 22.0 290 290 A F > + 0 0 4 -96,-0.4 3,-2.5 1,-0.2 4,-0.3 -0.505 61.2 169.3 -89.2 72.4 32.0 100.0 20.9 291 291 A V G > + 0 0 0 -2,-1.7 3,-2.0 1,-0.3 -1,-0.2 0.825 67.5 73.9 -55.7 -26.9 35.5 98.6 20.0 292 292 A Q G > S+ 0 0 0 1,-0.3 3,-1.4 -3,-0.2 -1,-0.3 0.626 78.3 70.8 -65.5 -11.3 33.8 95.2 19.8 293 293 A E G < S+ 0 0 10 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.610 106.9 40.3 -80.6 -8.7 32.2 96.2 16.5 294 294 A F G <> S+ 0 0 55 -3,-2.0 4,-1.0 -4,-0.3 3,-0.3 -0.273 90.2 130.0-121.1 34.7 35.8 95.9 15.1 295 295 A G H <> + 0 0 0 -3,-1.4 4,-3.0 1,-0.2 5,-0.3 0.708 50.6 65.1 -68.1 -34.3 36.1 92.9 17.4 296 296 A E H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.918 105.2 46.7 -62.0 -41.0 37.5 90.2 15.0 297 297 A Q H > S+ 0 0 87 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.893 113.9 48.8 -66.2 -41.4 40.8 92.2 14.6 298 298 A V H X S+ 0 0 0 -4,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.919 113.0 46.2 -67.0 -46.0 41.0 92.7 18.4 299 299 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 5,-0.3 0.960 115.6 46.9 -62.6 -51.3 40.3 89.0 19.2 300 300 A R H X S+ 0 0 125 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.938 115.1 44.8 -60.5 -45.8 42.9 87.9 16.6 301 301 A E H X S+ 0 0 65 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.962 111.9 51.9 -66.9 -42.8 45.5 90.4 17.7 302 302 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.914 110.8 47.7 -59.4 -38.5 45.1 89.6 21.4 303 303 A L H X S+ 0 0 36 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.866 111.6 52.4 -66.9 -35.6 45.4 85.9 20.8 304 304 A K H >X S+ 0 0 93 -4,-1.9 3,-1.0 -5,-0.3 4,-0.9 0.982 111.9 44.0 -61.4 -58.9 48.5 86.6 18.7 305 305 A H H >< S+ 0 0 64 -4,-2.9 3,-1.1 1,-0.3 -2,-0.2 0.917 113.0 53.4 -52.4 -48.1 50.0 88.7 21.5 306 306 A F H >< S+ 0 0 2 -4,-2.9 3,-0.6 -5,-0.3 -1,-0.3 0.736 105.2 54.4 -61.4 -24.7 49.0 86.0 24.1 307 307 A A H << S+ 0 0 65 -4,-1.3 3,-0.4 -3,-1.0 -1,-0.2 0.652 94.2 66.8 -83.8 -18.3 50.7 83.2 22.1 308 308 A E T << S+ 0 0 136 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.1 -0.139 112.2 35.7 -97.3 36.4 54.0 85.0 22.0 309 309 A T < 0 0 87 -3,-0.6 -1,-0.3 -58,-0.0 -58,-0.1 -0.183 360.0 360.0 176.1 71.6 54.1 84.4 25.8 310 310 A E 0 0 156 -3,-0.4 -2,-0.1 0, 0.0 -3,-0.1 0.271 360.0 360.0 172.5 360.0 52.5 81.0 26.9