==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ATTRACTANT 22-FEB-11 3QTA . COMPND 2 MOLECULE: CHEMOTAXIS PROTEIN CHEC; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOARCULA MARISMORTUI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 405 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 21.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 35 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 0 0 2 1 0 0 2 0 0 0 1 0 0 0 0 0 1 1 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 3 2 1 2 0 2 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 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 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 X 0 0 129 0, 0.0 187,-0.1 0, 0.0 186,-0.1 0.000 360.0 360.0 360.0 153.1 84.8 47.9 20.2 2 2 A P - 0 0 103 0, 0.0 189,-0.2 0, 0.0 188,-0.1 -0.247 360.0-155.2 -66.6 151.6 82.8 45.2 22.2 3 3 A L + 0 0 27 187,-0.1 212,-3.0 186,-0.1 2,-0.4 0.355 58.7 102.9-110.8 -0.6 82.6 41.6 21.0 4 4 A L E +A 214 0A 91 210,-0.2 2,-0.3 211,-0.1 210,-0.2 -0.719 43.3 174.3 -88.4 134.8 79.4 40.4 22.6 5 5 A I E -A 213 0A 2 208,-2.4 208,-2.7 -2,-0.4 2,-0.3 -0.983 39.5-100.6-137.8 148.8 76.3 40.1 20.6 6 6 A D E > -A 212 0A 17 -2,-0.3 3,-1.9 206,-0.2 4,-0.3 -0.554 30.8-135.9 -69.2 129.2 72.8 38.8 21.3 7 7 A I G > S+ 0 0 2 204,-2.9 3,-1.3 -2,-0.3 4,-0.2 0.769 100.6 65.1 -60.2 -27.7 72.6 35.3 19.8 8 8 A R G > S+ 0 0 56 203,-0.3 3,-0.8 1,-0.2 -1,-0.3 0.760 92.2 64.0 -70.7 -18.7 69.2 36.1 18.3 9 9 A K G X S+ 0 0 47 -3,-1.9 3,-2.1 1,-0.2 4,-0.3 0.597 74.6 89.8 -79.9 -8.8 70.7 38.7 16.0 10 10 A L G X> + 0 0 0 -3,-1.3 3,-1.6 -4,-0.3 4,-1.0 0.752 69.9 76.3 -62.4 -19.3 72.8 36.2 14.1 11 11 A T H <> S+ 0 0 21 -3,-0.8 4,-2.0 1,-0.3 -1,-0.3 0.786 85.5 64.6 -57.0 -25.6 69.9 35.7 11.7 12 12 A L H <> S+ 0 0 11 -3,-2.1 4,-2.3 2,-0.2 -1,-0.3 0.735 91.4 61.6 -72.6 -24.3 71.0 39.1 10.3 13 13 A I H <> S+ 0 0 4 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.2 0.958 107.9 43.9 -62.7 -47.1 74.3 37.6 9.1 14 14 A T H X S+ 0 0 31 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.909 111.8 53.3 -65.0 -42.6 72.3 35.2 6.9 15 15 A R H X S+ 0 0 97 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.932 110.3 47.1 -56.4 -46.5 70.0 38.0 5.7 16 16 A L H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.902 108.7 54.7 -64.8 -40.3 73.0 40.2 4.7 17 17 A I H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.920 109.9 47.0 -59.7 -46.4 74.7 37.2 2.8 18 18 A Q H X S+ 0 0 83 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.884 109.9 52.9 -64.9 -36.7 71.6 36.7 0.8 19 19 A D H X S+ 0 0 36 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.903 108.9 51.4 -63.0 -39.6 71.4 40.5 0.1 20 20 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.946 108.0 50.7 -59.3 -46.7 74.9 40.2 -1.1 21 21 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.878 108.1 53.1 -59.3 -39.7 74.1 37.3 -3.5 22 22 A E H X S+ 0 0 100 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.924 110.4 46.3 -65.9 -41.0 71.2 39.2 -5.0 23 23 A Q H X S+ 0 0 58 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.867 107.0 58.1 -71.1 -34.8 73.4 42.2 -5.8 24 24 A V H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.947 108.4 47.4 -54.4 -45.6 76.1 39.9 -7.3 25 25 A A H X S+ 0 0 22 -4,-2.2 4,-1.8 1,-0.2 11,-0.3 0.927 112.9 48.3 -63.1 -44.6 73.4 38.6 -9.7 26 26 A D H X S+ 0 0 93 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.930 112.3 48.3 -62.7 -45.2 72.3 42.2 -10.5 27 27 A S H X>S+ 0 0 9 -4,-3.2 4,-3.1 1,-0.2 5,-0.7 0.904 106.6 56.7 -62.6 -43.3 75.9 43.3 -11.1 28 28 A L H X5S+ 0 0 0 -4,-2.7 6,-2.3 -5,-0.2 4,-1.1 0.904 112.9 42.0 -53.6 -42.0 76.7 40.3 -13.3 29 29 A A H X5S+ 0 0 48 -4,-1.8 4,-0.8 4,-0.3 -2,-0.2 0.934 118.4 43.7 -71.7 -47.4 73.8 41.4 -15.6 30 30 A T H <5S+ 0 0 118 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.905 129.3 23.4 -65.7 -41.5 74.5 45.2 -15.5 31 31 A L H <5S+ 0 0 108 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.865 135.3 26.4 -98.1 -40.7 78.3 45.0 -16.0 32 32 A A H < - 0 0 114 -2,-0.2 3,-2.5 112,-0.2 4,-0.2 -0.698 43.4-110.3 -86.4 146.6 89.8 31.4 12.7 48 48 A P G > S+ 0 0 1 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.828 116.2 55.8 -46.9 -41.6 91.8 33.5 10.2 49 49 A E G 3 S+ 0 0 128 107,-0.3 3,-0.5 1,-0.3 4,-0.2 0.634 97.7 65.1 -69.8 -13.4 94.9 31.1 10.2 50 50 A D G X S+ 0 0 67 -3,-2.5 3,-0.5 1,-0.2 4,-0.3 0.429 72.8 94.5 -84.4 -3.8 92.7 28.1 9.2 51 51 A I G X S+ 0 0 0 -3,-1.5 3,-1.7 -4,-0.2 4,-0.2 0.830 72.1 66.0 -66.6 -28.6 91.8 29.6 5.8 52 52 A A G > S+ 0 0 26 -3,-0.5 3,-1.3 1,-0.3 4,-0.4 0.919 100.2 51.5 -55.4 -41.6 94.6 27.7 3.9 53 53 A T G < S+ 0 0 115 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.564 106.3 57.1 -75.7 -2.3 92.9 24.4 4.7 54 54 A E G < S+ 0 0 44 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.344 92.5 69.4-105.0 5.6 89.6 25.7 3.3 55 55 A X S < S- 0 0 7 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.789 98.0 -95.5-101.8 -30.4 90.6 26.7 -0.2 56 56 A G - 0 0 29 -4,-0.4 87,-0.3 1,-0.1 -1,-0.3 -0.463 34.3 -93.8 116.9 166.0 91.4 23.6 -2.3 57 57 A G S S+ 0 0 85 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.433 90.0 44.7-107.6 -5.3 94.6 21.9 -3.1 58 58 A G S S- 0 0 42 1,-0.2 2,-0.6 84,-0.1 85,-0.4 0.013 108.4 -27.3-111.3-139.7 96.2 23.1 -6.4 59 59 A T - 0 0 77 83,-0.1 22,-0.4 -2,-0.1 2,-0.3 -0.710 66.0-164.2 -81.8 120.1 96.7 26.5 -7.9 60 60 A I E -C 141 0B 0 81,-2.5 81,-1.6 -2,-0.6 2,-0.4 -0.802 13.3-140.4-107.8 143.1 94.1 28.8 -6.6 61 61 A Y E +CD 140 79B 4 18,-3.0 18,-1.9 -2,-0.3 2,-0.3 -0.889 30.0 175.3 -97.0 135.0 93.1 32.2 -8.0 62 62 A S E -CD 139 78B 2 77,-1.5 77,-2.2 -2,-0.4 2,-0.4 -0.997 23.3-168.6-141.9 149.2 92.4 34.9 -5.4 63 63 A A E -CD 138 77B 4 14,-2.2 14,-2.9 -2,-0.3 2,-0.4 -0.990 15.0-165.1-132.3 125.5 91.6 38.6 -5.1 64 64 A R E -CD 137 76B 36 73,-2.8 73,-2.6 -2,-0.4 2,-0.4 -0.902 5.4-174.4-108.9 140.6 91.7 40.3 -1.8 65 65 A V E - D 0 75B 3 10,-2.5 10,-2.0 -2,-0.4 2,-0.4 -0.987 18.6-136.7-127.4 146.5 90.2 43.7 -0.9 66 66 A R E - D 0 74B 81 -2,-0.4 68,-3.0 69,-0.2 2,-0.5 -0.822 18.3-133.4 -92.2 134.9 90.5 45.7 2.3 67 67 A L B -G 133 0C 11 6,-2.8 6,-0.3 -2,-0.4 66,-0.2 -0.804 16.9-170.6 -85.9 127.0 87.4 47.3 3.6 68 68 A T S S+ 0 0 76 64,-2.5 65,-0.1 -2,-0.5 -1,-0.1 0.287 71.1 47.2-105.9 10.4 88.2 50.9 4.6 69 69 A E S > S- 0 0 51 63,-0.7 3,-2.7 4,-0.1 62,-0.1 -0.903 105.4 -21.6-135.5 167.0 84.8 51.5 6.3 70 70 A P T 3 S+ 0 0 57 0, 0.0 -2,-0.1 0, 0.0 119,-0.0 -0.213 127.3 29.4 -49.1 136.3 82.9 49.4 8.8 71 71 A P T 3 S- 0 0 11 0, 0.0 114,-2.1 0, 0.0 118,-0.3 -0.955 91.5-173.9 -93.8 22.9 83.2 46.5 9.2 72 72 A Y < + 0 0 106 -3,-2.7 -4,-0.2 112,-0.2 111,-0.1 -0.127 37.8 88.9 56.8-161.8 86.8 46.9 8.2 73 73 A G S S- 0 0 12 -6,-0.3 -6,-2.8 111,-0.3 2,-0.3 -0.350 79.8 -59.1 68.2-151.9 89.1 43.9 7.7 74 74 A V E -DE 66 183B 3 109,-1.7 109,-2.7 -8,-0.3 2,-0.4 -0.797 27.5-150.4-135.4 163.6 89.5 42.0 4.5 75 75 A F E -DE 65 182B 2 -10,-2.0 -10,-2.5 -2,-0.3 2,-0.5 -0.991 17.2-165.6-139.5 123.8 87.4 40.1 1.9 76 76 A L E -DE 64 181B 1 105,-2.2 105,-2.5 -2,-0.4 2,-0.5 -0.976 4.4-163.5-123.0 123.5 89.1 37.3 -0.1 77 77 A X E +DE 63 180B 1 -14,-2.9 -14,-2.2 -2,-0.5 2,-0.3 -0.900 17.1 175.4-106.6 130.9 87.6 35.7 -3.1 78 78 A T E +DE 62 179B 0 101,-2.3 101,-2.5 -2,-0.5 2,-0.3 -0.933 9.6 167.4-132.3 154.2 89.1 32.4 -4.3 79 79 A F E -D 61 0B 4 -18,-1.9 -18,-3.0 -2,-0.3 99,-0.1 -0.963 27.1-116.9-160.2 157.4 88.5 29.8 -7.0 80 80 A E > - 0 0 99 97,-0.3 4,-2.3 -2,-0.3 3,-0.2 -0.286 42.2 -89.1 -89.1 175.6 90.1 26.7 -8.6 81 81 A T H > S+ 0 0 92 -22,-0.4 4,-2.7 1,-0.2 5,-0.2 0.839 120.8 57.9 -57.5 -42.8 91.3 26.1 -12.1 82 82 A E H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.961 113.4 40.4 -54.7 -49.3 88.0 24.6 -13.4 83 83 A T H > S+ 0 0 12 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 111.0 57.4 -67.4 -37.4 86.2 27.8 -12.5 84 84 A A H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.926 108.6 47.9 -60.5 -42.2 89.0 30.0 -13.7 85 85 A A H X S+ 0 0 25 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.894 110.6 50.0 -61.8 -45.3 88.7 28.4 -17.1 86 86 A E H X S+ 0 0 65 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.924 113.5 46.3 -64.6 -41.6 84.9 28.9 -17.2 87 87 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.962 113.5 48.0 -61.7 -55.4 85.2 32.6 -16.3 88 88 A A H X S+ 0 0 0 -4,-2.7 4,-0.7 -5,-0.2 6,-0.3 0.876 114.9 44.9 -56.6 -43.4 88.0 33.3 -18.7 89 89 A E H >X>S+ 0 0 70 -4,-2.5 4,-1.5 -5,-0.2 5,-0.8 0.946 115.0 46.8 -68.3 -45.6 86.2 31.6 -21.6 90 90 A L H 3<5S+ 0 0 61 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.873 114.7 46.6 -61.9 -40.7 82.8 33.1 -20.9 91 91 A X H 3<5S+ 0 0 66 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.484 123.6 31.3 -87.3 -2.8 84.2 36.6 -20.5 92 92 A T H <<5S- 0 0 30 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.424 92.1-128.4-127.7 -4.6 86.4 36.6 -23.6 93 93 A G T <5S+ 0 0 77 -4,-1.5 2,-0.3 1,-0.2 -3,-0.1 0.904 76.7 107.2 48.9 42.5 84.7 34.3 -26.2 94 94 A S S + 0 0 19 -2,-0.2 3,-2.4 1,-0.2 -1,-0.1 0.258 65.3 114.0 -91.8 12.7 91.9 28.5 -22.7 97 97 A E T 3 S+ 0 0 81 1,-0.3 -1,-0.2 -12,-0.1 3,-0.1 0.847 80.5 43.0 -53.2 -36.6 92.9 25.1 -24.3 98 98 A D T 3 S- 0 0 174 1,-0.3 -1,-0.3 -3,-0.3 2,-0.1 0.268 131.4 -73.4 -95.4 12.4 96.3 26.5 -25.3 99 99 A G < - 0 0 37 -3,-2.4 2,-0.6 2,-0.0 -1,-0.3 -0.224 62.5 -60.5 110.9 156.1 97.0 28.3 -22.0 100 100 A F - 0 0 72 -2,-0.1 -4,-0.1 -3,-0.1 2,-0.1 -0.629 53.3-160.5 -76.9 112.2 95.7 31.5 -20.3 101 101 A T > - 0 0 72 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.275 36.2 -97.6 -79.4 173.6 96.4 34.6 -22.4 102 102 A Q H > S+ 0 0 152 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.900 127.0 58.3 -61.5 -40.9 96.4 38.2 -21.1 103 103 A L H > S+ 0 0 112 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.944 110.8 45.2 -50.2 -45.8 92.9 38.6 -22.3 104 104 A H H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.929 112.3 47.1 -66.1 -50.0 92.0 35.6 -20.0 105 105 A E H X S+ 0 0 50 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.890 112.5 50.9 -60.5 -39.9 94.0 36.7 -16.9 106 106 A S H X S+ 0 0 68 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.860 107.7 53.9 -64.6 -35.5 92.5 40.3 -17.1 107 107 A A H X S+ 0 0 11 -4,-1.6 4,-2.8 -5,-0.3 -2,-0.2 0.888 106.6 52.2 -66.1 -39.7 89.0 38.7 -17.4 108 108 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.910 111.2 46.8 -60.7 -44.6 89.7 36.8 -14.2 109 109 A Q H X S+ 0 0 93 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.951 114.8 45.4 -65.4 -44.9 90.7 39.9 -12.4 110 110 A E H X S+ 0 0 93 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.903 109.0 55.2 -68.2 -40.0 87.7 41.9 -13.6 111 111 A X H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.947 106.5 52.7 -56.5 -45.0 85.3 39.1 -12.9 112 112 A C H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.886 108.6 50.8 -55.7 -38.4 86.6 39.2 -9.3 113 113 A N H X S+ 0 0 51 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.908 110.7 47.6 -67.2 -39.9 85.9 42.9 -9.2 114 114 A I H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.955 117.1 42.7 -64.7 -45.8 82.3 42.4 -10.5 115 115 A L H X S+ 0 0 1 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.926 117.7 45.7 -66.9 -45.3 81.5 39.6 -8.0 116 116 A T H X S+ 0 0 4 -4,-2.7 4,-2.6 -5,-0.3 5,-0.3 0.932 115.2 44.1 -67.1 -47.4 83.2 41.4 -5.0 117 117 A S H X S+ 0 0 18 -4,-2.5 4,-3.2 -5,-0.2 5,-0.2 0.894 112.4 54.7 -68.9 -34.9 81.8 44.8 -5.5 118 118 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.936 111.1 44.4 -58.3 -46.2 78.4 43.2 -6.1 119 119 A F H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.963 118.0 42.2 -68.0 -46.6 78.5 41.4 -2.9 120 120 A I H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.906 113.2 53.2 -69.0 -41.5 79.8 44.3 -0.8 121 121 A D H X S+ 0 0 81 -4,-3.2 4,-2.4 -5,-0.3 -1,-0.2 0.860 105.3 56.0 -60.2 -38.3 77.4 46.8 -2.5 122 122 A G H X S+ 0 0 4 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.942 110.9 43.4 -56.1 -48.0 74.5 44.4 -1.6 123 123 A I H X S+ 0 0 22 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.929 111.9 53.1 -62.9 -47.9 75.4 44.6 2.0 124 124 A A H X>S+ 0 0 12 -4,-2.8 5,-2.1 1,-0.2 4,-0.8 0.888 107.1 53.4 -54.4 -41.7 76.0 48.4 1.8 125 125 A N H ><5S+ 0 0 129 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.935 108.2 48.8 -62.1 -46.1 72.5 48.9 0.3 126 126 A T H 3<5S+ 0 0 32 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.906 115.0 45.1 -60.7 -39.7 70.9 47.0 3.2 127 127 A L H 3<5S- 0 0 17 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.557 103.6-130.5 -80.8 -5.7 72.8 49.0 5.8 128 128 A N T <<5S+ 0 0 152 -3,-0.9 2,-0.3 -4,-0.8 -3,-0.2 0.905 74.8 102.9 52.3 43.7 72.1 52.3 4.0 129 129 A A S - 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0 0 78 -2,-0.3 3,-2.1 112,-0.2 4,-0.2 -0.663 35.1-118.6 -80.0 145.1 63.9 32.9 12.4 256 48 B P G > S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.843 113.5 62.9 -52.5 -36.4 61.6 30.0 13.4 257 49 B E G 3 S+ 0 0 119 107,-0.4 3,-0.4 1,-0.3 108,-0.0 0.765 102.3 52.2 -62.8 -23.9 58.8 31.7 11.5 258 50 B D G X> S+ 0 0 63 -3,-2.1 4,-0.8 1,-0.2 3,-0.5 0.321 75.5 99.4 -95.6 8.7 60.8 31.2 8.3 259 51 B I H X> S+ 0 0 0 -3,-1.7 3,-0.7 1,-0.2 4,-0.6 0.848 73.6 64.1 -70.7 -28.8 61.6 27.5 8.5 260 52 B A H >> S+ 0 0 30 -3,-0.4 3,-1.1 -4,-0.3 4,-0.9 0.897 99.8 54.0 -59.1 -36.2 58.8 26.4 6.0 261 53 B T H <4 S+ 0 0 108 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.802 103.6 55.6 -72.1 -25.1 60.5 28.4 3.3 262 54 B E H << S+ 0 0 59 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.564 103.3 59.6 -78.8 -8.1 63.8 26.4 3.9 263 55 B X H << S- 0 0 9 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.787 95.5-141.5 -92.1 -30.9 62.0 23.2 3.4 264 56 B G < - 0 0 38 -4,-0.9 87,-0.2 -3,-0.2 -2,-0.1 0.149 29.0 -55.0 73.7 163.2 60.6 23.5 -0.1 265 57 B G S S+ 0 0 64 85,-0.1 -4,-0.0 -4,-0.1 2,-0.0 0.160 83.8 26.3 -91.0-179.8 57.3 22.4 -1.5 266 58 B G S S- 0 0 46 2,-0.0 85,-0.8 0, 0.0 2,-0.4 -0.216 106.3 -25.8 67.1-163.9 55.0 19.5 -1.9 267 59 B T E +I 350 0D 81 83,-0.2 22,-0.5 84,-0.1 2,-0.3 -0.642 69.6 173.3 -84.4 133.1 55.1 16.6 0.5 268 60 B I E -I 349 0D 1 81,-2.9 81,-2.5 -2,-0.4 2,-0.3 -0.839 30.4-109.2-128.3 168.0 58.4 16.0 2.3 269 61 B Y E -IJ 348 287D 25 18,-3.1 18,-2.3 -2,-0.3 2,-0.3 -0.759 33.0-173.1 -97.4 150.1 59.5 13.8 5.2 270 62 B S E -IJ 347 286D 0 77,-2.1 77,-2.5 -2,-0.3 2,-0.4 -0.992 17.3-165.8-143.4 141.9 60.4 15.1 8.6 271 63 B A E +IJ 346 285D 0 14,-2.7 14,-2.9 -2,-0.3 2,-0.3 -0.995 25.0 174.1-125.1 125.1 61.9 13.6 11.8 272 64 B R E +IJ 345 284D 53 73,-1.9 73,-2.6 -2,-0.4 2,-0.3 -0.974 15.2 178.6-134.7 149.3 61.4 15.8 14.9 273 65 B V E - J 0 283D 11 10,-2.6 10,-2.6 -2,-0.3 2,-0.5 -0.996 17.5-145.7-145.4 145.3 62.1 15.7 18.6 274 66 B R E - J 0 282D 122 -2,-0.3 2,-0.4 8,-0.2 68,-0.4 -0.951 19.3-139.5-105.8 129.0 61.6 18.1 21.5 275 67 B L E - J 0 281D 13 6,-2.8 6,-0.6 -2,-0.5 66,-0.1 -0.737 13.3-168.2 -85.4 134.4 64.1 18.0 24.3 276 68 B T S S+ 0 0 89 64,-0.9 -1,-0.1 -2,-0.4 65,-0.1 0.256 73.9 62.3 -96.8 9.5 62.8 18.4 27.9 277 69 B E S > S- 0 0 72 63,-0.3 3,-3.7 4,-0.1 -2,-0.1 -0.869 97.7 -32.6-126.4 161.3 66.5 18.9 29.2 278 70 B P T 3 S+ 0 0 58 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.266 130.2 25.7 -53.6 136.8 69.2 21.6 28.6 279 71 B P T 3 S- 0 0 17 0, 0.0 114,-2.9 0, 0.0 118,-0.3 -0.906 97.5-173.9 -80.5 20.4 69.6 23.1 26.0 280 72 B Y < + 0 0 117 -3,-3.7 113,-0.2 112,-0.2 -4,-0.2 0.032 33.0 90.5 53.5-165.6 65.9 22.3 25.6 281 73 B G E S-J 275 0D 16 -6,-0.6 -6,-2.8 111,-0.2 2,-0.3 -0.397 73.2 -48.9 86.0-156.0 64.2 23.2 22.3 282 74 B V E -JK 274 391D 12 109,-1.7 109,-3.2 -8,-0.2 2,-0.4 -0.899 25.9-161.9-135.0 140.6 63.6 21.3 19.1 283 75 B F E +JK 273 390D 4 -10,-2.6 -10,-2.6 -2,-0.3 2,-0.4 -1.000 19.2 179.2-122.3 127.6 65.5 19.3 16.5 284 76 B L E -JK 272 389D 0 105,-2.3 105,-3.5 -2,-0.4 2,-0.4 -0.999 9.8-170.1-134.1 131.2 63.9 18.9 13.1 285 77 B X E -JK 271 388D 1 -14,-2.9 -14,-2.7 -2,-0.4 2,-0.3 -0.987 8.1-170.4-121.8 128.0 65.3 17.0 10.1 286 78 B T E +JK 270 387D 7 101,-2.9 101,-2.6 -2,-0.4 2,-0.3 -0.901 10.6 163.2-120.3 147.7 63.6 17.2 6.7 287 79 B F E -J 269 0D 7 -18,-2.3 -18,-3.1 -2,-0.3 99,-0.1 -0.983 37.2 -92.0-156.7 159.6 64.3 15.2 3.5 288 80 B E > - 0 0 89 97,-0.4 4,-2.2 -2,-0.3 3,-0.5 -0.379 34.3-113.4 -75.6 157.2 62.6 14.5 0.2 289 81 B T H > S+ 0 0 50 -22,-0.5 4,-2.2 1,-0.2 5,-0.2 0.907 119.7 55.3 -48.6 -45.2 60.3 11.5 -0.5 290 82 B E H > S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.856 105.4 50.5 -63.9 -37.2 63.0 10.2 -2.8 291 83 B T H > S+ 0 0 18 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.891 107.3 54.2 -66.2 -40.7 65.6 10.3 -0.0 292 84 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.927 108.6 49.9 -58.9 -40.8 63.3 8.4 2.3 293 85 B A H X S+ 0 0 16 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.929 110.0 50.2 -65.0 -42.9 63.0 5.7 -0.4 294 86 B E H X S+ 0 0 76 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.880 110.7 49.1 -62.6 -40.7 66.8 5.5 -0.8 295 87 B I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.966 112.8 47.7 -59.6 -53.1 67.3 5.2 3.0 296 88 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 6,-0.4 0.876 113.5 47.6 -56.4 -43.8 64.7 2.4 3.2 297 89 B E H X S+ 0 0 64 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.901 111.2 50.0 -68.0 -41.2 66.2 0.5 0.2 298 90 B L H < S+ 0 0 61 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.931 117.3 41.2 -60.9 -44.7 69.8 0.8 1.6 299 91 B X H < S+ 0 0 64 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.846 126.1 30.8 -73.7 -38.7 68.6 -0.6 5.0 300 92 B T H < S- 0 0 39 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.670 94.3-132.3 -96.1 -19.4 66.2 -3.3 3.9 301 93 B G S < S+ 0 0 68 -4,-2.0 2,-0.4 -5,-0.3 -4,-0.1 0.552 72.8 106.4 72.9 9.5 67.9 -4.3 0.6 302 94 B S S S- 0 0 51 -6,-0.4 -2,-0.2 -5,-0.1 -1,-0.2 -0.975 70.8-119.0-124.9 138.1 64.6 -4.1 -1.2 303 95 B S - 0 0 57 -2,-0.4 3,-0.4 1,-0.1 -9,-0.0 -0.252 12.9-134.8 -59.8 154.3 63.3 -1.5 -3.6 304 96 B V S > S+ 0 0 31 1,-0.2 3,-1.7 2,-0.1 -1,-0.1 0.210 81.4 103.0 -93.4 14.0 60.2 0.5 -2.8 305 97 B E T 3 S+ 0 0 102 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.798 82.5 49.5 -69.8 -25.4 58.9 0.0 -6.4 306 98 B D T 3 S- 0 0 157 -3,-0.4 -1,-0.3 1,-0.4 -2,-0.1 0.162 136.3 -61.1 -91.8 19.1 56.5 -2.6 -5.0 307 99 B G < - 0 0 33 -3,-1.7 2,-1.2 2,-0.1 -1,-0.4 -0.136 46.6 -93.6 117.5 145.4 55.4 -0.2 -2.3 308 100 B F - 0 0 57 -3,-0.1 -4,-0.1 -2,-0.1 -5,-0.0 -0.813 64.7-165.5 -84.3 93.2 56.9 1.7 0.6 309 101 B T > - 0 0 62 -2,-1.2 4,-2.6 1,-0.1 5,-0.2 -0.160 35.9 -97.7 -82.0 177.6 56.0 -1.1 3.0 310 102 B Q H > S+ 0 0 165 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.868 126.6 56.7 -60.9 -33.4 55.8 -1.3 6.9 311 103 B L H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.952 107.8 46.6 -60.4 -48.0 59.2 -2.9 6.7 312 104 B H H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.900 110.9 52.7 -60.6 -45.4 60.5 0.2 4.9 313 105 B E H X S+ 0 0 108 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.889 110.1 47.8 -54.9 -47.6 58.8 2.4 7.4 314 106 B S H X S+ 0 0 65 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.928 111.6 50.3 -59.2 -45.7 60.5 0.6 10.3 315 107 B A H X S+ 0 0 9 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.897 110.8 49.2 -60.9 -42.9 63.9 0.8 8.5 316 108 B L H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.901 110.2 51.4 -62.3 -42.1 63.4 4.6 8.0 317 109 B Q H X S+ 0 0 56 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.935 109.9 49.5 -59.6 -47.5 62.4 5.0 11.6 318 110 B E H X S+ 0 0 98 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.906 112.1 47.8 -59.5 -44.1 65.6 3.2 12.7 319 111 B X H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.907 111.4 50.0 -60.7 -44.1 67.7 5.3 10.4 320 112 B C H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.889 108.0 54.8 -65.2 -35.4 66.1 8.5 11.7 321 113 B N H X S+ 0 0 32 -4,-2.5 4,-2.1 -5,-0.2 5,-0.3 0.921 111.6 44.5 -58.0 -45.4 66.8 7.2 15.2 322 114 B I H X S+ 0 0 12 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.932 115.4 45.5 -68.7 -43.6 70.5 6.9 14.3 323 115 B L H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.916 116.3 45.8 -65.1 -46.4 70.8 10.2 12.5 324 116 B T H X S+ 0 0 1 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.963 118.5 38.6 -64.3 -56.6 69.0 12.2 15.2 325 117 B S H X S+ 0 0 33 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.874 113.8 57.7 -67.7 -35.5 70.6 10.7 18.3 326 118 B G H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.941 113.6 38.6 -55.4 -48.4 74.0 10.7 16.5 327 119 B F H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.949 119.7 43.5 -70.9 -50.7 73.8 14.4 15.8 328 120 B I H X S+ 0 0 12 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.920 117.0 46.3 -61.7 -46.6 72.3 15.5 19.1 329 121 B D H X S+ 0 0 59 -4,-2.7 4,-2.9 -5,-0.3 -1,-0.2 0.829 108.0 56.5 -70.8 -31.4 74.5 13.3 21.3 330 122 B G H X S+ 0 0 4 -4,-1.7 4,-1.1 -5,-0.3 -1,-0.2 0.931 114.9 39.1 -60.1 -46.5 77.7 14.3 19.3 331 123 B I H X S+ 0 0 24 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.922 116.2 52.5 -68.5 -45.1 76.9 17.9 20.2 332 124 B A H <>S+ 0 0 2 -4,-2.9 5,-2.3 1,-0.2 -2,-0.2 0.901 104.2 54.9 -60.4 -44.7 75.8 17.0 23.7 333 125 B N H ><5S+ 0 0 98 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.864 109.8 46.8 -57.1 -41.1 78.9 15.1 24.6 334 126 B T H 3<5S+ 0 0 38 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.897 113.8 47.2 -68.7 -44.6 81.2 18.0 23.7 335 127 B L T 3<5S- 0 0 17 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.345 110.7-127.2 -71.8 6.1 79.0 20.4 25.7 336 128 B N T < 5 + 0 0 157 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.795 64.5 138.0 39.1 38.4 79.0 17.8 28.6 337 129 B A < - 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L 0 376D 33 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.944 26.6-144.2-153.4 135.6 74.0 9.7 -0.8 384 176 B F E - L 0 375D 1 -9,-2.4 -9,-2.6 -2,-0.3 2,-0.5 -0.908 7.3-150.4-104.6 129.8 71.2 11.3 1.4 385 177 B S E + L 0 374D 73 -2,-0.5 -97,-0.4 -11,-0.2 2,-0.4 -0.858 22.8 179.5 -94.6 121.3 70.6 15.1 1.5 386 178 B L E - L 0 373D 4 -13,-2.7 -13,-2.8 -2,-0.5 2,-0.5 -0.980 20.2-151.6-126.9 137.8 69.2 16.1 4.9 387 179 B R E -KL 286 372D 69 -101,-2.6 -101,-2.9 -2,-0.4 2,-0.4 -0.961 18.2-161.5-110.7 124.4 68.3 19.5 6.1 388 180 B I E -KL 285 371D 8 -17,-3.0 -17,-3.0 -2,-0.5 2,-0.5 -0.904 9.2-164.5-114.8 133.6 68.6 19.9 9.9 389 181 B F E -KL 284 370D 0 -105,-3.5 -105,-2.3 -2,-0.4 2,-0.5 -0.968 4.2-169.2-115.4 118.6 67.0 22.6 12.0 390 182 B L E +KL 283 369D 20 -21,-2.8 -21,-2.6 -2,-0.5 -107,-0.2 -0.954 8.0 176.3-108.4 121.7 68.3 23.1 15.6 391 183 B I E +K 282 0D 3 -109,-3.2 -109,-1.7 -2,-0.5 -23,-0.1 -0.669 13.0 178.0-122.3 76.9 66.2 25.4 17.7 392 184 B P - 0 0 15 0, 0.0 -25,-0.3 0, 0.0 -111,-0.2 -0.273 46.6 -91.4 -71.3 159.0 67.8 25.3 21.2 393 185 B D > - 0 0 66 -114,-2.9 4,-2.6 -113,-0.2 5,-0.2 -0.648 42.4-142.1 -61.8 120.5 66.5 27.4 24.0 394 186 B P H > S+ 0 0 8 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.887 95.1 53.2 -66.5 -36.7 68.7 30.4 23.4 395 187 B G H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.933 112.4 45.2 -55.2 -49.1 69.4 31.1 27.1 396 188 B S H > S+ 0 0 20 -117,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 112.4 52.2 -65.1 -40.8 70.5 27.6 27.7 397 189 B F H X S+ 0 0 13 -4,-2.6 4,-2.3 -118,-0.3 -2,-0.2 0.912 107.4 49.8 -65.9 -44.3 72.6 27.6 24.5 398 190 B V H X S+ 0 0 15 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.866 108.9 53.5 -63.6 -35.5 74.5 30.8 25.3 399 191 B H H X S+ 0 0 108 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.943 110.5 46.4 -63.8 -43.9 75.4 29.5 28.8 400 192 B L H < S+ 0 0 24 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.888 114.1 47.3 -67.3 -39.0 76.8 26.3 27.3 401 193 B I H >< S+ 0 0 2 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.881 105.9 58.6 -66.4 -41.5 78.9 28.1 24.7 402 194 B D H 3< S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.822 109.9 44.7 -57.0 -34.1 80.2 30.6 27.2 403 195 B Q T 3< S+ 0 0 121 -4,-1.2 2,-0.3 -3,-0.2 -1,-0.3 0.450 95.3 106.6 -88.1 -7.0 81.7 27.6 29.2 404 196 B L < + 0 0 16 -3,-1.2 2,-0.3 -4,-0.3 -184,-0.1 -0.668 29.0 146.1 -88.8 132.7 83.1 25.9 26.1 405 197 B D 0 0 134 -2,-0.3 -3,-0.0 -185,-0.0 -2,-0.0 -0.943 360.0 360.0-144.7 148.0 86.9 25.6 25.0 406 198 B Y 0 0 118 -2,-0.3 -186,-0.0 0, 0.0 -72,-0.0 -0.385 360.0 360.0 -92.4 360.0 88.6 22.6 23.2