==== 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 TRANSFERASE 26-MAY-09 3HL3 . COMPND 2 MOLECULE: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.MINASOV,L.SHUVALOVA,A.HALAVATY,I.DUBROVSKA,J.WINSOR,L.PAPA . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.8 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 . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 1 1 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 0 A A 0 0 108 0, 0.0 101,-1.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 171.1 45.5 57.2 8.9 2 1 A M E -a 102 0A 30 44,-0.2 47,-0.4 99,-0.2 2,-0.3 -0.962 360.0-152.2-120.9 124.7 46.0 54.7 11.7 3 2 A K E -a 103 0A 30 99,-3.3 101,-1.7 -2,-0.5 2,-0.4 -0.696 6.6-139.2 -99.0 152.3 43.7 54.5 14.8 4 3 A G E -ab 104 50A 0 45,-2.6 47,-2.5 -2,-0.3 2,-0.4 -0.891 16.2-174.7-110.9 139.2 44.5 53.3 18.3 5 4 A I E -ab 105 51A 0 99,-2.4 101,-2.8 -2,-0.4 2,-0.5 -0.992 5.6-167.9-135.1 125.3 42.2 51.1 20.4 6 5 A I E -ab 106 52A 0 45,-2.7 47,-2.2 -2,-0.4 2,-0.9 -0.958 11.5-151.9-114.7 118.9 42.9 50.1 24.1 7 6 A L E +ab 107 53A 9 99,-1.6 101,-2.6 -2,-0.5 102,-0.3 -0.798 28.0 160.2 -90.8 105.7 40.7 47.4 25.5 8 7 A A + 0 0 0 45,-2.8 47,-0.5 -2,-0.9 17,-0.2 -0.070 35.4 109.1-116.8 31.3 40.6 48.1 29.3 9 8 A G + 0 0 10 45,-0.3 16,-0.1 15,-0.1 15,-0.1 0.069 32.6 104.7 -86.8-157.9 37.5 46.2 30.3 10 9 A G S S- 0 0 48 1,-0.1 45,-0.2 73,-0.1 14,-0.2 -0.038 71.5 -98.8 102.3 156.1 37.3 43.0 32.3 11 10 A T - 0 0 114 12,-0.1 -1,-0.1 13,-0.0 13,-0.1 0.815 36.1-149.7 -80.4 -34.3 36.3 41.9 35.8 12 11 A G > + 0 0 11 11,-0.1 3,-2.1 1,-0.1 7,-0.2 0.632 46.6 144.0 70.9 14.7 39.9 41.7 37.1 13 12 A S G > + 0 0 80 1,-0.3 3,-2.1 2,-0.2 6,-0.1 0.804 58.3 70.3 -55.2 -37.2 38.8 39.0 39.5 14 13 A R G 3 S+ 0 0 187 1,-0.3 210,-0.4 208,-0.1 -1,-0.3 0.808 104.4 45.2 -48.0 -31.4 42.1 37.1 39.2 15 14 A L G X S+ 0 0 0 -3,-2.1 3,-1.3 208,-0.1 4,-0.4 0.346 93.3 170.5 -99.0 4.9 43.4 40.1 41.2 16 15 A Y T < + 0 0 136 -3,-2.1 -4,-0.0 1,-0.3 -3,-0.0 -0.239 57.5 25.2 -55.9 146.4 40.8 40.4 43.9 17 16 A P T > S+ 0 0 83 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.990 119.9 57.3 -87.8 -1.1 40.7 42.0 46.5 18 17 A I T <> S+ 0 0 78 -3,-1.3 4,-0.6 1,-0.3 3,-0.3 0.813 114.0 43.7 -56.4 -31.1 43.1 44.6 45.0 19 18 A T T 34 S+ 0 0 11 -4,-0.4 -1,-0.3 -7,-0.2 -3,-0.2 0.016 80.5 107.8-102.7 24.7 40.6 45.1 42.2 20 19 A K T <4 S- 0 0 140 -3,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 0.897 107.0 -0.7 -65.4 -40.3 37.6 45.1 44.5 21 20 A V T 4 S+ 0 0 104 -4,-0.4 2,-0.2 -3,-0.3 -2,-0.1 0.701 124.1 72.3-117.2 -45.4 37.3 48.9 43.9 22 21 A T S < S- 0 0 53 -4,-0.6 2,-0.3 1,-0.1 36,-0.1 -0.531 81.2-117.4 -81.4 142.1 40.2 49.8 41.5 23 22 A N > - 0 0 3 -2,-0.2 3,-2.3 35,-0.1 4,-0.4 -0.583 24.7-122.7 -75.2 137.6 40.2 48.9 37.9 24 23 A K G > S+ 0 0 35 1,-0.3 3,-1.8 -2,-0.3 10,-0.3 0.853 108.8 60.4 -45.6 -43.3 43.1 46.6 37.0 25 24 A H G 3 S+ 0 0 6 1,-0.3 10,-2.8 -17,-0.2 -1,-0.3 0.436 99.4 55.7 -74.4 1.2 44.4 49.0 34.4 26 25 A L G < S+ 0 0 15 -3,-2.3 -1,-0.3 8,-0.2 -2,-0.2 0.367 83.4 110.2-108.7 0.4 44.9 51.8 36.9 27 26 A L S < S- 0 0 12 -3,-1.8 7,-2.9 -4,-0.4 8,-0.1 -0.424 81.9 -89.8 -72.8 149.7 47.1 49.7 39.1 28 27 A P E +I 33 0B 81 0, 0.0 2,-0.3 0, 0.0 203,-0.1 -0.328 41.2 174.6 -65.1 141.3 50.8 50.6 39.2 29 28 A V E > S-I 32 0B 0 3,-2.7 3,-0.8 1,-0.1 2,-0.2 -0.821 74.7 -39.0-141.9 93.0 53.3 49.1 36.7 30 29 A G T 3 S- 0 0 19 -2,-0.3 205,-0.2 1,-0.2 -1,-0.1 -0.614 122.1 -28.0 81.1-146.3 56.5 50.9 37.4 31 30 A R T 3 S+ 0 0 212 203,-0.4 -1,-0.2 206,-0.4 204,-0.1 0.265 129.7 64.7 -86.6 12.6 56.1 54.6 38.1 32 31 A Y E < S-I 29 0B 11 -3,-0.8 -3,-2.7 -5,-0.1 2,-0.1 -0.937 91.6 -94.3-135.3 155.2 52.9 54.7 36.0 33 32 A P E >> -I 28 0B 18 0, 0.0 3,-1.8 0, 0.0 4,-0.7 -0.429 47.9-108.8 -63.7 144.2 49.3 53.3 36.0 34 33 A M H >> S+ 0 0 0 -7,-2.9 3,-1.3 -10,-0.3 4,-0.6 0.862 116.1 55.9 -41.0 -53.0 49.1 50.2 33.9 35 34 A I H 3> S+ 0 0 0 -10,-2.8 4,-1.8 1,-0.3 3,-0.5 0.762 91.2 72.2 -56.9 -30.3 47.1 51.9 31.1 36 35 A Y H <> S+ 0 0 21 -3,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.896 91.4 60.2 -52.6 -41.3 49.7 54.7 30.6 37 36 A H H <>S+ 0 0 0 -4,-1.6 5,-2.1 2,-0.2 3,-1.6 0.928 110.8 53.5 -70.8 -45.8 50.6 54.4 20.6 43 42 A K H ><5S+ 0 0 35 -4,-2.3 3,-2.7 1,-0.3 -2,-0.2 0.933 103.4 56.4 -55.8 -44.9 51.8 57.9 21.0 44 43 A Q T 3<5S+ 0 0 73 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.668 104.9 54.6 -62.2 -15.7 55.3 56.9 19.9 45 44 A C T < 5S- 0 0 12 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.328 118.6-112.1 -94.0 7.4 53.7 55.5 16.7 46 45 A D T < 5S+ 0 0 113 -3,-2.7 2,-0.9 1,-0.2 -44,-0.2 0.833 73.8 141.6 60.8 29.9 52.1 59.0 16.0 47 46 A I < + 0 0 2 -5,-2.1 -1,-0.2 1,-0.1 -2,-0.2 -0.890 12.6 156.9-102.9 97.0 48.8 57.3 16.6 48 47 A T + 0 0 57 -2,-0.9 27,-2.5 -46,-0.2 2,-0.9 0.559 47.6 82.4-101.9 -12.5 47.0 60.1 18.5 49 48 A D E + c 0 75A 60 -47,-0.4 -45,-2.6 25,-0.2 2,-0.4 -0.824 65.0 170.3 -97.2 101.2 43.3 59.2 17.8 50 49 A I E -bc 4 76A 0 25,-2.8 27,-1.7 -2,-0.9 2,-0.5 -0.906 26.9-153.8-121.7 139.0 42.7 56.6 20.5 51 50 A M E -bc 5 77A 5 -47,-2.5 -45,-2.7 -2,-0.4 2,-0.5 -0.926 10.0-156.8-110.8 133.3 39.5 54.9 21.8 52 51 A I E -bc 6 78A 0 25,-2.8 27,-1.7 -2,-0.5 2,-0.5 -0.943 5.6-166.6-111.2 127.1 39.4 53.5 25.3 53 52 A I E +bc 7 79A 0 -47,-2.2 -45,-2.8 -2,-0.5 2,-0.3 -0.949 24.3 142.4-112.2 129.3 36.9 50.8 26.1 54 53 A T E - c 0 80A 0 25,-1.5 27,-2.0 -2,-0.5 -45,-0.3 -0.963 48.5 -72.1-156.0 173.0 36.2 50.0 29.7 55 54 A G E > - c 0 81A 12 -47,-0.5 4,-0.8 -2,-0.3 3,-0.1 -0.211 39.3-116.5 -69.4 160.2 33.5 49.0 32.1 56 55 A K T >4 S+ 0 0 160 25,-0.6 3,-0.6 1,-0.2 4,-0.4 0.898 112.6 51.0 -61.9 -44.6 30.7 51.2 33.3 57 56 A E T 34 S+ 0 0 153 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.785 115.4 41.0 -67.6 -29.9 31.8 51.1 36.9 58 57 A H T 3> S+ 0 0 33 1,-0.2 4,-2.1 -3,-0.1 3,-0.3 0.466 84.2 94.4-101.6 -1.3 35.4 52.0 36.2 59 58 A M H S+ 0 0 48 -4,-0.4 4,-2.3 -3,-0.2 -1,-0.2 0.911 109.1 41.5 -61.8 -44.7 35.2 57.5 36.1 61 60 A D H > S+ 0 0 78 -3,-0.3 4,-1.6 -4,-0.2 -1,-0.2 0.895 115.1 50.9 -71.9 -38.1 38.6 56.5 37.4 62 61 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 3,-0.4 0.961 113.8 44.5 -62.7 -50.4 39.9 55.9 33.9 63 62 A V H X S+ 0 0 53 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.902 106.7 60.0 -61.8 -43.1 38.7 59.2 32.6 64 63 A S H < S+ 0 0 97 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.885 114.9 37.0 -51.3 -41.5 40.0 61.0 35.7 65 64 A F H < S+ 0 0 81 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.952 127.8 31.9 -74.4 -53.2 43.5 59.7 34.8 66 65 A L H >< S+ 0 0 0 -4,-3.0 3,-0.9 -5,-0.2 -3,-0.2 0.821 79.8 172.6 -80.4 -33.9 43.4 60.0 31.0 67 66 A G T 3< - 0 0 25 -4,-3.0 -1,-0.1 -5,-0.3 -2,-0.1 -0.250 68.6 -34.8 59.3-145.4 41.1 63.0 30.4 68 67 A S T 3 S- 0 0 73 7,-0.1 8,-2.2 6,-0.0 -1,-0.2 0.625 84.5-109.7 -84.2 -14.2 40.8 64.2 26.9 69 68 A G S X>>S+ 0 0 1 -3,-0.9 3,-2.2 6,-0.2 5,-2.1 0.204 84.6 123.5 102.0 -13.1 44.4 63.3 26.1 70 69 A Q G >45S+ 0 0 160 1,-0.3 3,-1.5 2,-0.2 -3,-0.1 0.905 72.7 53.8 -43.7 -51.1 45.6 67.0 25.9 71 70 A E G 345S+ 0 0 99 1,-0.3 -1,-0.3 -5,-0.2 174,-0.1 0.627 113.6 41.9 -64.6 -13.7 48.2 66.4 28.6 72 71 A F G <45S- 0 0 2 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.336 113.9-109.4-113.4 5.6 49.7 63.4 26.7 73 72 A G T <<5S+ 0 0 38 -3,-1.5 2,-0.2 -4,-0.7 -3,-0.2 0.787 87.3 98.7 71.0 27.4 49.6 64.9 23.2 74 73 A V < - 0 0 9 -5,-2.1 2,-0.4 -25,-0.0 -1,-0.3 -0.682 67.6-123.8-132.3-173.0 46.8 62.5 22.2 75 74 A S E -c 49 0A 56 -27,-2.5 -25,-2.8 -2,-0.2 2,-0.3 -0.957 22.4-159.3-145.0 118.7 43.1 62.4 21.8 76 75 A F E -c 50 0A 18 -8,-2.2 2,-0.3 -2,-0.4 -25,-0.2 -0.753 12.9-177.4-106.0 148.0 40.6 60.0 23.5 77 76 A T E -c 51 0A 63 -27,-1.7 -25,-2.8 -2,-0.3 2,-0.4 -0.975 19.9-150.4-131.3 143.4 37.1 58.8 22.9 78 77 A Y E +c 52 0A 55 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.934 15.8 179.5-123.7 144.6 35.4 56.4 25.3 79 78 A R E -c 53 0A 103 -27,-1.7 -25,-1.5 -2,-0.4 2,-0.4 -0.975 27.8-120.6-134.3 151.0 32.7 53.7 25.0 80 79 A V E -c 54 0A 74 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.756 15.9-146.6 -96.9 136.6 31.3 51.5 27.7 81 80 A Q E -c 55 0A 18 -27,-2.0 -25,-0.6 -2,-0.4 4,-0.1 -0.835 20.9-134.9 -98.4 135.5 31.5 47.7 27.5 82 81 A D - 0 0 97 -2,-0.4 -1,-0.0 2,-0.2 8,-0.0 -0.244 27.7 -92.8 -85.9 176.7 28.6 45.8 29.0 83 82 A K S S+ 0 0 210 -2,-0.0 -73,-0.1 -28,-0.0 -1,-0.1 0.943 103.1 66.2 -49.1 -60.0 28.5 42.8 31.3 84 83 A A S S+ 0 0 59 5,-0.0 -2,-0.2 2,-0.0 108,-0.0 -0.153 89.2 23.0 -70.3 159.4 28.2 40.1 28.5 85 84 A G - 0 0 34 107,-0.1 2,-0.1 -4,-0.1 107,-0.1 0.132 67.3-137.1 71.2 169.0 30.9 39.3 25.9 86 85 A G > - 0 0 31 108,-0.3 4,-2.2 106,-0.2 3,-0.5 -0.398 54.8 -23.2-134.7-148.0 34.6 39.9 26.2 87 86 A I H > S+ 0 0 69 1,-0.2 4,-0.9 2,-0.2 108,-0.1 0.714 130.8 48.1 -40.1 -37.6 37.6 41.1 24.2 88 87 A A H > S+ 0 0 1 106,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.917 112.2 46.4 -77.2 -45.3 36.1 40.3 20.8 89 88 A Q H > S+ 0 0 25 -3,-0.5 4,-0.8 105,-0.3 -2,-0.2 0.832 107.1 60.2 -64.3 -32.6 32.7 42.0 21.4 90 89 A A H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.883 99.4 56.2 -62.6 -38.9 34.5 45.0 22.9 91 90 A L H >< S+ 0 0 2 -4,-0.9 3,-2.3 1,-0.2 -1,-0.2 0.878 95.8 65.3 -62.3 -37.8 36.2 45.5 19.5 92 91 A G H >< S+ 0 0 12 -4,-1.1 3,-1.9 1,-0.3 -1,-0.2 0.840 88.3 68.9 -52.8 -36.3 32.8 45.7 17.8 93 92 A L T << S+ 0 0 39 -4,-0.8 4,-0.3 -3,-0.7 -1,-0.3 0.616 93.8 59.1 -59.0 -12.8 32.1 49.0 19.7 94 93 A C T <> + 0 0 0 -3,-2.3 4,-2.7 -4,-0.2 5,-0.3 0.416 69.3 107.2 -99.1 1.7 34.9 50.7 17.6 95 94 A E H <> S+ 0 0 58 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.903 87.1 36.7 -47.0 -52.9 33.4 50.1 14.2 96 95 A D H 4 S+ 0 0 141 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.885 112.9 57.9 -71.2 -39.4 32.3 53.7 13.6 97 96 A F H 4 S+ 0 0 41 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.928 115.0 37.2 -55.4 -46.3 35.3 55.2 15.4 98 97 A V H >< S+ 0 0 3 -4,-2.7 3,-1.4 1,-0.2 2,-0.3 0.942 81.6 165.7 -73.8 -48.6 37.7 53.4 13.0 99 98 A G T 3< S- 0 0 36 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.544 74.1 -16.2 70.5-125.4 35.6 53.8 9.8 100 99 A N T 3 S+ 0 0 153 -2,-0.3 -1,-0.2 -4,-0.1 77,-0.2 0.237 116.4 98.1 -97.0 12.0 37.8 52.9 6.7 101 100 A D S < S- 0 0 46 -3,-1.4 76,-0.4 1,-0.1 2,-0.3 -0.116 74.0-102.0 -88.4-172.9 41.1 53.3 8.6 102 101 A R E -a 2 0A 53 -101,-1.4 -99,-3.3 74,-0.2 2,-0.3 -0.724 32.9-135.4-110.6 165.6 43.4 50.7 10.1 103 102 A M E -aD 3 175A 0 72,-3.2 72,-1.8 -2,-0.3 2,-0.5 -0.914 20.4-164.6-129.0 150.1 43.9 49.7 13.7 104 103 A V E -aD 4 174A 0 -101,-1.7 -99,-2.4 -2,-0.3 2,-0.5 -0.988 24.5-166.5-124.9 112.8 46.3 48.9 16.4 105 104 A V E -aD 5 173A 0 68,-3.6 68,-2.6 -2,-0.5 2,-0.5 -0.914 4.6-173.0-105.0 124.7 44.5 47.2 19.3 106 105 A I E -aD 6 172A 0 -101,-2.8 -99,-1.6 -2,-0.5 2,-0.3 -0.968 22.6-135.1-120.6 118.5 46.3 46.8 22.6 107 106 A L E > -a 7 0A 27 64,-2.7 3,-2.1 -2,-0.5 -99,-0.2 -0.567 28.2-125.2 -66.7 128.1 44.8 44.8 25.5 108 107 A G T 3 S+ 0 0 3 -101,-2.6 -70,-0.2 -2,-0.3 -1,-0.1 0.700 103.6 53.3 -50.8 -28.7 45.4 47.1 28.5 109 108 A D T 3 S+ 0 0 22 -102,-0.3 112,-0.9 2,-0.0 2,-0.8 0.314 81.2 104.9 -96.1 10.1 47.3 44.6 30.6 110 109 A N E < -J 220 0C 12 -3,-2.1 2,-0.4 110,-0.2 110,-0.2 -0.817 49.7-176.4 -93.0 106.4 49.9 43.7 28.0 111 110 A I E +J 219 0C 2 108,-2.5 108,-2.1 -2,-0.8 2,-0.3 -0.874 11.1 158.8-106.1 133.4 53.2 45.4 29.0 112 111 A F E -J 218 0C 6 -2,-0.4 106,-0.2 106,-0.2 -2,-0.0 -0.990 43.2-130.9-155.0 158.9 56.2 45.2 26.7 113 112 A S S S+ 0 0 42 104,-2.1 105,-0.1 -2,-0.3 -1,-0.1 0.874 71.9 97.9 -78.3 -43.7 59.6 46.8 25.7 114 113 A D S S- 0 0 21 103,-0.5 2,-0.4 1,-0.1 -2,-0.1 -0.103 72.8-125.0 -56.6 143.0 59.4 47.1 21.9 115 114 A D - 0 0 106 1,-0.1 4,-0.2 -71,-0.0 -1,-0.1 -0.703 19.3-149.3 -75.4 136.8 58.4 50.2 20.0 116 115 A I S >> S+ 0 0 3 -2,-0.4 4,-2.1 -75,-0.3 3,-0.8 0.556 73.9 98.5 -88.6 -5.4 55.5 48.9 17.9 117 116 A R H 3> S+ 0 0 92 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.861 76.3 53.9 -48.6 -49.1 56.4 51.4 15.1 118 117 A P H 3> S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.886 111.9 45.3 -58.6 -35.8 58.3 49.0 13.0 119 118 A Y H <> S+ 0 0 19 -3,-0.8 4,-2.2 -4,-0.2 -2,-0.2 0.834 111.4 52.7 -75.7 -31.8 55.4 46.6 12.9 120 119 A V H X S+ 0 0 13 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.859 109.0 50.6 -69.1 -35.6 53.0 49.4 12.2 121 120 A E H X S+ 0 0 105 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.901 110.8 47.9 -70.1 -41.8 55.1 50.5 9.3 122 121 A E H >< S+ 0 0 95 -4,-1.8 3,-0.9 -5,-0.2 4,-0.3 0.930 112.2 49.7 -63.1 -44.0 55.2 47.0 7.8 123 122 A F H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.912 104.6 58.2 -62.1 -41.8 51.5 46.7 8.3 124 123 A T H 3< S+ 0 0 79 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.758 108.3 47.3 -56.5 -26.7 51.0 50.1 6.5 125 124 A N T << S+ 0 0 134 -4,-0.9 2,-0.6 -3,-0.9 -1,-0.3 0.409 90.0 100.6 -96.0 0.4 52.8 48.6 3.5 126 125 A Q S < S- 0 0 29 -3,-1.9 3,-0.1 -4,-0.3 84,-0.0 -0.789 74.0-138.3 -89.1 122.1 50.7 45.5 3.6 127 126 A K S S- 0 0 188 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.827 71.5 -29.9 -51.0 -40.3 47.9 45.7 1.0 128 127 A E S S+ 0 0 63 2,-0.1 2,-0.4 80,-0.1 -1,-0.1 -0.990 93.7 51.7-167.1 172.5 45.3 44.2 3.4 129 128 A G S S- 0 0 0 -2,-0.3 47,-1.0 -3,-0.1 2,-0.3 -0.801 74.3 -56.7 105.2-135.4 44.4 41.9 6.3 130 129 A A E -Ef 175 209A 0 78,-1.9 80,-1.4 -2,-0.4 2,-0.3 -0.899 28.4-144.4-147.0 172.6 46.0 41.8 9.8 131 130 A K E -Ef 174 210A 4 43,-2.2 43,-2.3 -2,-0.3 2,-0.3 -0.973 10.2-163.1-147.0 130.2 49.2 41.3 11.7 132 131 A V E -Ef 173 211A 0 78,-2.3 80,-1.3 -2,-0.3 2,-0.5 -0.800 14.8-136.5-110.5 154.7 49.9 39.5 15.0 133 132 A L E - f 0 212A 0 39,-0.8 37,-2.0 37,-0.4 2,-0.3 -0.961 20.5-154.2-114.7 127.0 52.9 39.9 17.2 134 133 A L E -Ef 169 213A 1 78,-2.9 80,-3.1 -2,-0.5 2,-0.4 -0.730 11.1-171.9-103.2 149.3 54.4 36.8 18.7 135 134 A Q E -E 168 0A 29 33,-2.3 33,-2.7 -2,-0.3 2,-0.4 -0.988 26.0-126.0-139.4 126.9 56.5 36.2 21.9 136 135 A S E -E 167 0A 71 -2,-0.4 2,-0.3 31,-0.2 31,-0.2 -0.598 41.4-176.0 -74.3 126.6 58.2 33.0 22.9 137 136 A V - 0 0 26 29,-2.8 -1,-0.0 -2,-0.4 -2,-0.0 -0.837 38.9-127.0-129.8 164.5 57.0 32.1 26.4 138 137 A D S S+ 0 0 176 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.809 105.4 30.3 -74.8 -37.8 57.5 29.6 29.2 139 138 A D > + 0 0 77 1,-0.1 3,-1.6 27,-0.1 -1,-0.2 -0.673 62.3 168.8-127.3 76.3 53.8 28.6 29.8 140 139 A P G > + 0 0 15 0, 0.0 3,-2.6 0, 0.0 19,-0.2 0.751 65.2 84.4 -58.4 -25.8 52.0 28.8 26.4 141 140 A E G 3 S+ 0 0 87 1,-0.3 4,-0.1 18,-0.1 21,-0.0 0.703 85.6 57.9 -50.2 -22.8 49.0 27.0 27.9 142 141 A R G < S+ 0 0 81 -3,-1.6 -1,-0.3 2,-0.1 2,-0.2 0.544 108.8 41.8 -87.2 -7.5 47.8 30.4 29.2 143 142 A F S < S- 0 0 28 -3,-2.6 16,-1.9 -4,-0.1 2,-0.4 -0.534 96.0 -75.0-127.4-172.8 47.6 32.2 25.9 144 143 A G E -GH 158 169A 5 25,-0.5 25,-3.2 14,-0.3 2,-0.5 -0.766 55.2-145.6 -82.2 135.9 46.7 32.0 22.3 145 144 A V E -GH 157 168A 3 12,-3.2 12,-1.8 -2,-0.4 2,-0.5 -0.935 6.8-143.3-119.3 127.4 49.3 29.9 20.6 146 145 A A E -GH 156 167A 0 21,-2.7 2,-0.8 -2,-0.5 21,-0.5 -0.707 7.7-151.9 -86.5 127.4 50.8 30.2 17.1 147 146 A N E -G 155 0A 15 8,-2.8 7,-2.9 -2,-0.5 8,-0.8 -0.884 22.5-169.3 -98.4 102.5 51.6 27.0 15.3 148 147 A I E +G 153 0A 36 -2,-0.8 2,-0.4 5,-0.2 5,-0.2 -0.817 13.9 170.8-102.3 134.8 54.5 28.0 13.0 149 148 A Q E > S-G 152 0A 108 3,-2.6 3,-1.9 -2,-0.4 -2,-0.0 -0.992 72.1 -9.3-141.5 130.6 55.9 25.8 10.2 150 149 A N T 3 S- 0 0 152 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.891 129.9 -54.7 48.1 47.3 58.3 26.9 7.5 151 150 A R T 3 S+ 0 0 220 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.671 118.3 107.8 62.2 22.4 57.9 30.5 8.7 152 151 A K E < S-G 149 0A 149 -3,-1.9 -3,-2.6 58,-0.0 2,-0.7 -0.987 72.2-121.1-131.7 140.8 54.1 30.4 8.2 153 152 A I E +G 148 0A 15 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.685 28.4 177.2 -78.8 113.6 51.3 30.4 10.8 154 153 A I E - 0 0 90 -7,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.679 65.2 -14.6 -87.1 -19.2 49.3 27.2 10.1 155 154 A E E -G 147 0A 49 -8,-0.8 -8,-2.8 2,-0.0 2,-0.4 -0.939 52.0-138.9-179.7 149.1 46.9 27.7 13.0 156 155 A I E -G 146 0A 7 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.979 20.0-167.4-122.1 138.5 46.3 29.6 16.2 157 156 A E E -G 145 0A 76 -12,-1.8 -12,-3.2 -2,-0.4 2,-0.4 -0.993 17.6-132.9-131.1 130.3 44.8 27.9 19.2 158 157 A E E S-G 144 0A 54 -2,-0.4 -14,-0.3 -14,-0.3 -17,-0.1 -0.700 83.3 -20.8 -84.7 128.0 43.4 29.6 22.4 159 158 A K S S- 0 0 111 -16,-1.9 -1,-0.2 -2,-0.4 -15,-0.2 0.819 81.9-158.9 41.6 50.8 44.7 28.1 25.7 160 159 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -17,-0.1 -0.289 15.8-145.3 -62.6 136.6 45.7 24.8 24.2 161 160 A K S S+ 0 0 153 1,-0.3 -20,-0.1 -19,-0.0 -2,-0.1 0.821 100.0 28.6 -68.7 -31.1 46.0 22.0 26.8 162 161 A E S S- 0 0 173 -22,-0.1 -1,-0.3 -21,-0.0 -3,-0.0 -0.750 94.4-144.9-133.9 83.3 48.9 20.6 24.8 163 162 A P - 0 0 47 0, 0.0 -22,-0.1 0, 0.0 3,-0.0 -0.154 10.9-154.9 -51.7 133.0 50.7 23.4 23.0 164 163 A K S S+ 0 0 128 -19,-0.1 2,-0.2 3,-0.1 -16,-0.1 0.659 80.8 5.6 -82.7 -17.8 52.1 22.8 19.6 165 164 A S - 0 0 25 2,-0.1 -18,-0.1 -18,-0.1 -29,-0.0 -0.845 65.6-122.5-150.1 179.9 54.6 25.6 20.1 166 165 A S S S+ 0 0 47 -2,-0.2 -29,-2.8 -20,-0.1 2,-1.0 0.220 72.9 115.4-116.3 9.9 55.7 28.2 22.6 167 166 A Y E -HE 146 136A 69 -21,-0.5 -21,-2.7 -31,-0.2 2,-0.3 -0.713 53.1-159.0 -83.2 104.0 54.9 31.2 20.5 168 167 A A E -HE 145 135A 0 -33,-2.7 -33,-2.3 -2,-1.0 2,-0.9 -0.645 18.6-125.1 -83.0 139.3 52.2 33.1 22.4 169 168 A V E -HE 144 134A 10 -25,-3.2 -25,-0.5 -2,-0.3 -35,-0.2 -0.790 33.9-141.0 -85.0 106.5 50.1 35.5 20.4 170 169 A T E - 0 0 0 -37,-2.0 2,-1.4 -2,-0.9 -37,-0.4 -0.179 21.5-102.4 -66.4 161.5 50.4 38.7 22.3 171 170 A G E S+ 0 0 2 -64,-0.1 -64,-2.7 -39,-0.1 2,-0.4 -0.254 91.0 101.0 -83.6 49.1 47.6 41.2 22.9 172 171 A I E +D 106 0A 0 -2,-1.4 -39,-0.8 -39,-0.3 2,-0.4 -0.948 50.5 177.1-134.8 106.8 48.7 43.6 20.3 173 172 A Y E -DE 105 132A 12 -68,-2.6 -68,-3.6 -2,-0.4 2,-0.5 -0.933 21.5-156.5-120.7 137.3 46.8 43.3 17.0 174 173 A L E +DE 104 131A 2 -43,-2.3 -43,-2.2 -2,-0.4 2,-0.3 -0.964 27.0 173.8-111.3 123.2 46.9 45.3 13.8 175 174 A Y E -DE 103 130A 0 -72,-1.8 -72,-3.2 -2,-0.5 -45,-0.2 -0.921 28.9-136.0-130.9 156.1 43.7 45.1 11.8 176 175 A D > - 0 0 10 -47,-1.0 3,-1.5 -2,-0.3 4,-0.2 -0.527 46.7 -93.7 -96.8 173.4 42.1 46.5 8.7 177 176 A S T >> S+ 0 0 31 -76,-0.4 3,-1.2 1,-0.3 4,-0.5 0.624 112.0 82.2 -68.1 -10.9 38.5 47.7 8.8 178 177 A K H >> S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.697 72.2 78.7 -68.3 -15.8 37.2 44.3 7.5 179 178 A V H <> S+ 0 0 0 -3,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.863 88.6 56.1 -60.5 -34.3 37.4 42.9 11.0 180 179 A F H <> S+ 0 0 6 -3,-1.2 4,-3.4 1,-0.2 5,-0.2 0.847 102.0 56.2 -68.0 -32.2 34.1 44.6 11.8 181 180 A S H < S+ 0 0 2 -4,-1.9 3,-2.0 1,-0.2 4,-0.2 0.965 120.1 49.6 -60.7 -56.9 31.9 40.3 13.7 184 183 A K H 3< S+ 0 0 102 -4,-3.4 -3,-0.2 1,-0.3 -2,-0.2 0.903 116.8 40.7 -48.8 -52.6 29.1 42.5 12.4 185 184 A E T 3< S+ 0 0 150 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.007 104.0 82.4 -91.3 29.1 27.9 39.8 10.0 186 185 A L S < S- 0 0 57 -3,-2.0 -2,-0.1 2,-0.1 -1,-0.1 0.902 83.6 -73.1 -59.8 -98.3 28.5 36.9 12.4 187 186 A K - 0 0 75 -4,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.681 24.5 -86.9-145.2-145.3 26.1 36.4 14.4 188 187 A P S > S- 0 0 103 0, 0.0 3,-0.9 0, 0.0 4,-0.2 -0.602 104.8 -12.1-105.9 -63.8 24.0 36.6 16.9 189 188 A S T >> S+ 0 0 102 1,-0.2 4,-1.1 2,-0.2 3,-0.9 0.556 122.7 79.3 -79.2 -9.3 24.8 35.1 20.3 190 189 A A H 3> S+ 0 0 46 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.759 85.1 61.5 -65.5 -24.7 27.6 33.4 18.4 191 190 A R H <4 S+ 0 0 89 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.725 97.6 55.9 -72.7 -24.3 29.3 36.8 18.8 192 191 A G H <4 S+ 0 0 47 -3,-0.9 -2,-0.2 -4,-0.2 -1,-0.2 0.855 109.4 46.2 -73.4 -34.9 29.2 36.4 22.6 193 192 A E H < S+ 0 0 164 -4,-1.1 -2,-0.2 -108,-0.1 -1,-0.2 0.634 92.4 115.3 -79.8 -16.6 31.1 33.1 22.3 194 193 A L < - 0 0 15 -4,-0.7 -106,-0.4 -5,-0.1 2,-0.3 -0.206 46.9-164.3 -61.0 142.3 33.6 34.7 19.9 195 194 A E >> - 0 0 91 -107,-0.1 4,-1.3 -108,-0.1 3,-1.0 -0.893 34.4-111.3-126.0 156.5 37.3 35.0 20.9 196 195 A I H 3> S+ 0 0 14 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.847 116.4 63.7 -55.4 -35.1 40.1 37.1 19.4 197 196 A T H 3> S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.896 97.8 55.3 -56.6 -40.7 41.7 33.9 18.2 198 197 A D H <> S+ 0 0 58 -3,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.920 107.8 48.8 -58.9 -45.0 38.7 33.3 15.9 199 198 A I H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.939 112.0 48.6 -60.0 -46.1 39.2 36.7 14.3 200 199 A N H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.890 111.0 49.6 -62.6 -39.9 42.9 36.0 13.8 201 200 A N H X S+ 0 0 19 -4,-2.9 4,-3.3 2,-0.2 -1,-0.2 0.803 105.6 59.1 -67.9 -29.7 42.2 32.6 12.3 202 201 A W H X S+ 0 0 58 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.937 109.0 42.6 -64.1 -47.2 39.6 34.2 10.0 203 202 A Y H <>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 6,-0.4 0.924 113.9 54.2 -62.6 -43.4 42.3 36.4 8.5 204 203 A L H ><5S+ 0 0 31 -4,-2.3 3,-2.4 1,-0.2 5,-0.2 0.953 107.8 47.3 -54.8 -57.4 44.7 33.4 8.5 205 204 A K H 3<5S+ 0 0 164 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.9 55.0 -53.6 -39.9 42.3 31.3 6.4 206 205 A R T 3<5S- 0 0 92 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.526 116.0-122.7 -71.9 -4.0 41.7 34.2 4.0 207 206 A G T < 5S+ 0 0 61 -3,-2.4 -3,-0.2 -4,-0.3 -2,-0.1 0.846 84.2 105.7 67.5 37.0 45.5 34.1 3.7 208 207 A V < + 0 0 27 -5,-2.3 -78,-1.9 2,-0.1 2,-0.4 0.181 43.3 110.7-131.3 17.6 46.1 37.7 4.8 209 208 A L E -f 130 0A 26 -6,-0.4 2,-0.3 -5,-0.2 -78,-0.2 -0.762 41.6-178.1 -93.4 137.9 47.5 37.4 8.3 210 209 A T E -f 131 0A 43 -80,-1.4 -78,-2.3 -2,-0.4 2,-0.3 -0.802 4.8-161.7-125.1 171.1 51.2 38.3 8.8 211 210 A Y E -f 132 0A 53 -2,-0.3 2,-0.3 -80,-0.2 -78,-0.2 -0.983 12.8-163.9-153.3 162.5 53.3 38.1 11.9 212 211 A N E -f 133 0A 20 -80,-1.3 -78,-2.9 -2,-0.3 2,-0.5 -0.990 24.6-125.9-145.0 144.0 56.5 39.3 13.6 213 212 A E E -f 134 0A 112 -2,-0.3 -78,-0.2 -80,-0.2 -80,-0.0 -0.835 34.4-121.8 -92.1 129.5 58.4 37.9 16.6 214 213 A M - 0 0 17 -80,-3.1 -78,-0.2 -2,-0.5 4,-0.1 -0.325 13.2-148.1 -70.1 153.7 58.9 40.6 19.2 215 214 A S S S+ 0 0 103 2,-0.1 -1,-0.1 -80,-0.1 -80,-0.0 0.930 70.6 36.6 -87.7 -55.7 62.4 41.5 20.3 216 215 A G S S- 0 0 27 1,-0.2 2,-0.2 -81,-0.0 -2,-0.0 0.309 99.7 -54.7 -82.9-149.2 62.3 42.6 23.9 217 216 A W - 0 0 66 16,-0.1 -104,-2.1 -82,-0.0 -103,-0.5 -0.515 45.9-176.9 -93.7 162.9 60.3 41.4 26.9 218 217 A W E +J 112 0C 23 -106,-0.2 2,-0.3 -2,-0.2 -106,-0.2 -0.982 6.3 165.2-155.1 148.2 56.5 41.1 27.2 219 218 A T E -J 111 0C 1 -108,-2.1 -108,-2.5 -2,-0.3 2,-0.2 -0.964 31.8-123.6-163.6 147.6 54.2 40.1 29.9 220 219 A D E -J 110 0C 15 -2,-0.3 10,-0.2 -110,-0.2 -110,-0.2 -0.496 15.2-149.5 -83.5 165.6 50.5 40.2 30.8 221 220 A A + 0 0 0 -112,-0.9 6,-0.1 -2,-0.2 -111,-0.1 -0.128 62.5 110.9-128.2 36.5 49.6 41.9 34.1 222 221 A G + 0 0 9 -113,-0.1 2,-0.3 4,-0.0 -1,-0.1 0.364 69.1 47.6 -97.2 2.9 46.5 39.9 34.9 223 222 A T S > S- 0 0 28 -3,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.911 88.3-107.7-134.5 163.5 47.6 37.8 38.0 224 223 A H H > S+ 0 0 85 -210,-0.4 4,-2.2 -2,-0.3 5,-0.2 0.956 120.6 46.5 -57.7 -49.4 49.4 38.7 41.2 225 224 A V H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.947 117.0 42.4 -55.6 -53.3 52.6 37.0 40.0 226 225 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.794 111.4 55.8 -68.3 -28.5 52.5 38.5 36.5 227 226 A L H X S+ 0 0 17 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.896 110.1 46.5 -68.4 -39.3 51.5 41.9 37.9 228 227 A Q H X S+ 0 0 135 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.920 111.7 50.1 -66.7 -45.1 54.6 41.8 40.1 229 228 A R H X S+ 0 0 102 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.933 107.5 54.0 -57.9 -48.2 56.8 40.7 37.3 230 229 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -10,-0.2 -1,-0.2 0.914 109.2 50.0 -54.2 -42.6 55.5 43.5 35.1 231 230 A N H X S+ 0 0 43 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.877 109.6 49.2 -65.1 -38.5 56.5 45.9 37.9 232 231 A A H >< S+ 0 0 74 -4,-2.2 3,-1.5 2,-0.2 4,-0.3 0.989 114.4 45.3 -61.2 -56.6 60.0 44.5 38.2 233 232 A L H 3< S+ 0 0 69 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.810 115.1 48.3 -56.4 -34.9 60.5 44.8 34.4 234 233 A A H >< S+ 0 0 0 -4,-2.1 3,-2.1 -5,-0.3 -203,-0.4 0.509 76.4 110.7 -87.6 -4.9 59.0 48.3 34.3 235 234 A R T << S+ 0 0 172 -3,-1.5 -204,-0.2 -4,-0.7 -1,-0.2 0.835 85.6 34.3 -35.5 -57.3 61.1 49.7 37.2 236 235 A D T 3 S+ 0 0 119 -3,-0.3 -1,-0.3 -4,-0.3 2,-0.2 0.394 83.5 126.5 -88.3 2.9 63.2 52.1 35.1 237 236 A I < - 0 0 45 -3,-2.1 2,-0.4 -4,-0.1 -206,-0.4 -0.446 36.5-174.4 -65.0 126.9 60.7 53.0 32.4 238 237 A N - 0 0 109 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.990 17.6-176.1-128.0 123.2 60.5 56.8 32.1 239 238 A F - 0 0 19 -2,-0.4 3,-0.3 1,-0.2 4,-0.2 0.381 46.5-112.8 -98.5 0.6 57.9 58.5 29.8 240 239 A G >> - 0 0 27 1,-0.2 3,-1.9 2,-0.1 4,-1.4 -0.016 44.8 -53.3 90.9 166.0 59.0 62.1 30.3 241 240 A K H 3> S+ 0 0 184 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.681 127.2 66.8 -53.0 -22.6 57.5 65.2 31.9 242 241 A Q H 34 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.863 114.0 28.1 -69.8 -35.4 54.4 64.9 29.8 243 242 A F H <4 S+ 0 0 10 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.2 0.501 118.1 58.8-100.8 -10.9 53.4 61.6 31.6 244 243 A N H < S+ 0 0 82 -4,-1.4 -2,-0.2 1,-0.1 -3,-0.2 0.631 104.0 175.3 -90.4 -17.8 55.1 62.5 35.0 245 244 A G < 0 0 37 -4,-1.2 -2,-0.1 -5,-0.3 -1,-0.1 0.102 360.0 360.0 67.0 176.1 53.0 65.7 35.4 246 245 A E 0 0 241 -4,-0.1 -1,-0.2 -3,-0.0 -5,-0.0 -0.791 360.0 360.0-147.9 360.0 51.8 68.0 36.3