==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 30-JAN-13 4J01 . COMPND 2 MOLECULE: TRANSCRIPTION FACTOR HETR; . SOURCE 2 ORGANISM_SCIENTIFIC: FISCHERELLA THERMALIS; . AUTHOR Y.KIM,G.JOACHIMIAK,P.GORNICKI,A.JOACHIMIAK,MCSG,MIDWEST CENT . 1176 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 786 66.8 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 . 66 5.6 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 . 3 0.3 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 . 44 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 498 42.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 3.0 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 4 1 4 5 5 0 1 0 0 5 3 3 2 4 0 3 1 2 5 0 0 0 0 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 . 10 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 4 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 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 5 A V > 0 0 88 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-114.3 46.2 3.5 21.8 2 6 A D T 3> + 0 0 125 1,-0.2 4,-0.6 2,-0.1 3,-0.5 0.729 360.0 68.8 -71.3 -21.6 49.7 2.6 20.7 3 7 A L H 3> S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 5,-0.4 0.792 81.6 69.6 -72.3 -32.4 49.8 5.5 18.3 4 8 A I H <> S+ 0 0 53 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.866 91.6 63.7 -55.9 -38.5 49.9 8.3 20.8 5 9 A K H 4 S+ 0 0 170 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.919 111.8 30.9 -50.0 -55.9 53.4 7.3 21.8 6 10 A R H < S+ 0 0 155 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.669 133.8 29.0 -85.3 -18.8 55.1 8.0 18.4 7 11 A L H < S- 0 0 65 -4,-1.7 -3,-0.2 2,-0.0 -2,-0.2 0.793 72.9-165.0-108.0 -41.7 52.8 10.9 17.3 8 12 A G < - 0 0 51 -4,-2.1 -4,-0.1 -5,-0.4 -3,-0.1 0.970 24.1-156.6 47.6 66.4 51.6 12.6 20.4 9 13 A P - 0 0 15 0, 0.0 -1,-0.0 0, 0.0 2,-0.0 -0.115 20.6 -89.2 -67.3 168.3 48.9 14.5 18.6 10 14 A S > - 0 0 36 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.303 44.2 -99.5 -73.2 165.5 47.3 17.8 19.9 11 15 A A H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 122.1 41.6 -52.1 -61.4 44.3 17.7 22.2 12 16 A M H > S+ 0 0 8 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.833 115.1 53.8 -57.9 -34.5 41.6 18.4 19.6 13 17 A D H > S+ 0 0 2 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.921 105.5 51.8 -66.7 -45.9 43.4 16.0 17.2 14 18 A Q H X S+ 0 0 43 -4,-3.0 4,-3.9 2,-0.2 -2,-0.2 0.945 114.1 45.1 -50.6 -51.3 43.4 13.2 19.8 15 19 A I H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.953 114.0 47.6 -55.7 -52.8 39.7 13.9 20.1 16 20 A M H X S+ 0 0 9 -4,-3.5 4,-1.5 1,-0.2 -2,-0.2 0.806 114.3 49.0 -61.2 -29.3 39.4 14.0 16.3 17 21 A L H X S+ 0 0 12 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.947 106.9 53.1 -71.9 -51.4 41.4 10.8 16.2 18 22 A Y H X S+ 0 0 12 -4,-3.9 4,-2.0 1,-0.2 -2,-0.2 0.852 107.5 55.5 -50.5 -37.9 39.2 9.2 18.8 19 23 A L H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 5,-0.4 0.949 107.8 45.2 -59.6 -52.9 36.3 10.1 16.6 20 24 A A H X>S+ 0 0 0 -4,-1.5 4,-1.1 1,-0.2 5,-1.1 0.826 112.8 53.2 -63.6 -31.8 37.7 8.3 13.5 21 25 A F H <>S+ 0 0 10 -4,-2.2 5,-2.3 3,-0.2 4,-0.2 0.887 114.4 40.0 -69.9 -41.1 38.6 5.3 15.6 22 26 A S H <>S+ 0 0 3 -4,-2.0 5,-6.1 -5,-0.2 6,-0.5 0.988 120.5 37.5 -74.4 -61.8 35.1 4.9 17.0 23 27 A A H <5S+ 0 0 1 -4,-2.2 6,-4.8 3,-0.2 -3,-0.2 0.920 130.1 27.2 -59.6 -49.2 32.8 5.6 14.1 24 28 A M T <5S+ 0 0 0 -4,-1.1 -3,-0.2 -5,-0.4 -1,-0.1 0.959 133.5 26.4 -84.1 -55.0 34.9 4.0 11.4 25 29 A R T - 0 0 61 -2,-0.1 4,-1.1 1,-0.1 330,-0.2 0.008 26.7-118.9 -58.2 165.9 31.7 4.6 6.0 31 35 A H H >> S+ 0 0 30 328,-0.9 4,-1.9 329,-0.3 3,-0.6 0.991 113.5 36.9 -65.2 -65.6 34.8 6.6 5.0 32 36 A G H 3> S+ 0 0 19 328,-0.4 4,-4.7 1,-0.2 5,-0.2 0.870 111.0 61.4 -56.9 -41.8 32.9 9.4 3.2 33 37 A A H 3> S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.861 106.5 46.6 -55.9 -40.1 30.1 9.4 5.8 34 38 A F H X S+ 0 0 9 -4,-4.0 4,-1.1 49,-0.3 3,-0.6 0.945 107.6 47.7 -65.9 -49.1 28.6 18.6 7.6 41 45 A A H 3X S+ 0 0 4 -4,-3.3 4,-0.9 1,-0.2 -2,-0.2 0.711 104.6 62.9 -68.3 -19.6 29.5 19.7 11.1 42 46 A A H 3X S+ 0 0 3 -4,-1.3 4,-1.2 1,-0.2 3,-0.3 0.889 102.6 48.1 -69.7 -40.4 31.8 22.3 9.7 43 47 A K H X S+ 0 0 24 -4,-0.8 4,-1.1 -3,-0.5 3,-0.9 0.889 110.6 48.5 -77.9 -41.6 26.2 30.2 14.1 49 53 A T H 3X S+ 0 0 7 -4,-1.8 4,-1.0 1,-0.3 -2,-0.2 0.844 105.5 61.7 -63.6 -33.3 28.9 32.7 13.2 50 54 A Y H 3<>S+ 0 0 30 -4,-1.9 5,-1.7 -5,-0.2 -1,-0.3 0.763 99.8 59.1 -60.6 -26.7 26.5 33.8 10.5 51 55 A L H X45S+ 0 0 88 -3,-0.9 3,-1.1 -4,-0.4 -2,-0.2 0.976 107.8 34.7 -72.6 -59.2 24.0 34.8 13.2 52 56 A E H 3<5S+ 0 0 134 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.630 111.0 63.7 -77.3 -11.9 25.7 37.3 15.4 53 57 A Q T ><5S- 0 0 41 -4,-1.0 3,-0.5 3,-0.0 -1,-0.2 0.257 112.4-109.9 -99.2 11.5 27.6 39.0 12.6 54 58 A G T < 5 - 0 0 58 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.824 58.3 -68.4 70.5 37.7 24.5 40.2 10.8 55 59 A Q T 3 - 0 0 84 -3,-0.5 4,-2.4 -6,-0.2 -1,-0.2 -0.728 24.7-165.1 -90.2 109.9 27.5 39.7 6.2 57 61 A L H > S+ 0 0 84 -2,-0.8 4,-3.4 2,-0.2 5,-0.2 0.949 87.4 42.5 -56.5 -59.8 29.1 37.7 3.4 58 62 A R H > S+ 0 0 151 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.871 114.1 52.5 -59.1 -39.8 32.5 39.3 3.2 59 63 A M H > S+ 0 0 49 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.928 114.5 43.7 -59.4 -44.4 32.8 39.4 7.0 60 64 A T H >X S+ 0 0 1 -4,-2.4 4,-0.8 1,-0.2 3,-0.5 0.930 110.4 54.0 -65.4 -47.8 32.0 35.7 7.0 61 65 A G H 3<>S+ 0 0 9 -4,-3.4 5,-1.5 1,-0.2 4,-0.5 0.754 108.2 50.9 -62.4 -26.1 34.3 34.9 4.1 62 66 A H H 3<5S+ 0 0 25 -4,-1.5 3,-0.4 -5,-0.2 -1,-0.2 0.817 99.6 63.6 -80.1 -32.2 37.3 36.5 5.7 63 67 A L H <<5S+ 0 0 4 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.731 118.7 18.9 -70.2 -24.0 37.0 34.7 9.1 64 68 A H T <5S- 0 0 6 -4,-0.8 262,-1.4 -3,-0.2 263,-0.3 0.265 105.5-105.7-134.2 13.8 37.6 31.2 7.8 65 69 A H T 5 + 0 0 48 -4,-0.5 262,-0.3 -3,-0.4 261,-0.3 0.993 67.3 141.5 56.6 77.9 39.3 31.5 4.4 66 70 A L < - 0 0 29 -5,-1.5 -1,-0.2 406,-0.1 -2,-0.1 -0.989 57.2 -95.4-147.4 151.9 36.5 30.6 2.0 67 71 A E >> - 0 0 119 -2,-0.3 3,-1.5 1,-0.1 4,-1.1 -0.565 27.4-137.8 -72.9 126.6 35.2 31.6 -1.4 68 72 A P H 3> S+ 0 0 75 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.739 103.3 60.4 -53.3 -29.6 32.3 34.1 -1.1 69 73 A K H 34 S+ 0 0 161 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.846 103.6 50.0 -66.9 -34.2 30.5 32.3 -3.8 70 74 A R H X> S+ 0 0 165 -3,-1.5 3,-0.8 1,-0.2 4,-0.6 0.789 96.4 68.1 -79.2 -29.4 30.4 29.1 -1.8 71 75 A V H >X S+ 0 0 2 -4,-1.1 4,-0.8 1,-0.2 3,-0.7 0.799 84.4 75.6 -59.3 -30.1 29.0 30.6 1.4 72 76 A K H 3X S+ 0 0 169 -4,-0.6 4,-0.6 -3,-0.5 3,-0.2 0.798 96.5 41.4 -58.6 -38.6 25.6 31.3 -0.2 73 77 A A H <> S+ 0 0 79 -3,-0.8 4,-1.0 -4,-0.3 -1,-0.2 0.690 98.7 75.1 -86.7 -19.3 24.2 27.8 -0.2 74 78 A I H S+ 0 0 47 -4,-2.6 5,-3.6 1,-0.2 6,-2.8 0.800 107.8 52.6 -63.8 -28.8 15.6 23.9 6.0 81 85 A A H <5S+ 0 0 23 -4,-1.3 -2,-0.2 4,-0.4 -1,-0.2 0.850 116.6 38.3 -72.4 -35.8 17.1 21.5 8.5 82 86 A L H <5S+ 0 0 59 -4,-2.1 -2,-0.2 3,-0.1 -3,-0.2 0.865 134.8 21.2 -78.9 -39.8 15.7 23.5 11.3 83 87 A T T <5S+ 0 0 95 -4,-4.3 -3,-0.2 -5,-0.1 -2,-0.1 0.925 140.0 20.6 -95.5 -70.5 12.4 24.4 9.6 84 88 A E T 5S- 0 0 137 -5,-0.3 -3,-0.2 -7,-0.1 -4,-0.2 0.807 100.5-123.6 -68.0 -29.2 11.6 21.9 6.9 85 89 A G < - 0 0 32 -5,-3.6 2,-0.6 -6,-0.3 -4,-0.4 0.845 38.6-176.8 80.7 39.5 14.0 19.4 8.4 86 90 A K - 0 0 96 -6,-2.8 -1,-0.2 -9,-0.3 -3,-0.1 -0.628 24.5-127.5 -72.3 117.0 16.0 19.1 5.2 87 91 A L - 0 0 87 -2,-0.6 2,-0.3 78,-0.1 -1,-0.1 -0.083 19.5-151.1 -70.0 161.8 18.6 16.4 6.1 88 92 A L - 0 0 37 -7,-0.1 2,-2.2 -10,-0.0 -51,-0.1 -0.772 36.8 -89.6-123.3 170.5 22.4 16.6 5.8 89 93 A K S S+ 0 0 149 -2,-0.3 -49,-0.3 -53,-0.1 2,-0.1 -0.473 74.9 141.8 -80.5 69.1 25.1 14.0 5.3 90 94 A M - 0 0 68 -2,-2.2 -53,-0.1 1,-0.1 -54,-0.1 -0.404 64.1-113.4 -97.0 179.0 25.6 13.3 9.0 91 95 A L - 0 0 15 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 0.943 39.1-178.9 -76.8 -54.3 26.3 10.1 10.7 92 96 A G + 0 0 17 4,-0.1 2,-0.3 213,-0.1 214,-0.1 0.041 55.6 50.4 83.0 -28.6 23.0 10.0 12.5 93 97 A S S S- 0 0 15 -2,-0.2 212,-0.1 1,-0.2 4,-0.0 -0.931 79.2-119.5-140.2 161.6 23.6 6.8 14.3 94 98 A Q S S+ 0 0 13 -2,-0.3 -1,-0.2 1,-0.2 -65,-0.1 0.978 109.5 18.5 -60.2 -57.7 26.2 5.0 16.5 95 99 A E S S- 0 0 16 -3,-0.1 -1,-0.2 -67,-0.1 -67,-0.1 -0.845 112.0 -78.3-110.3 153.0 26.5 2.3 13.9 96 100 A P >> - 0 0 2 0, 0.0 4,-2.1 0, 0.0 3,-1.3 -0.239 36.6-134.6 -51.1 130.9 25.4 2.7 10.3 97 101 A R H 3> S+ 0 0 53 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.867 104.7 60.8 -56.8 -40.6 21.7 2.3 10.0 98 102 A Y H 34 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.763 109.1 43.4 -61.1 -25.8 22.0 0.1 7.0 99 103 A L H X4 S+ 0 0 25 -3,-1.3 3,-0.9 2,-0.1 -1,-0.2 0.866 112.2 53.6 -81.2 -42.2 24.0 -2.3 9.2 100 104 A I H 3< S+ 0 0 42 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.905 108.3 48.3 -58.5 -46.1 21.5 -2.0 12.1 101 105 A Q T 3X S+ 0 0 33 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.587 91.0 90.3 -73.0 -10.6 18.5 -2.8 10.0 102 106 A F H X> S+ 0 0 5 -3,-0.9 3,-1.0 -5,-0.2 4,-1.0 0.887 80.4 47.4 -59.5 -50.0 20.2 -5.9 8.5 103 107 A P H 3> S+ 0 0 16 0, 0.0 4,-0.9 0, 0.0 3,-0.3 0.856 106.2 58.0 -65.3 -32.7 19.3 -8.8 10.9 104 108 A Y H 3> S+ 0 0 47 -4,-0.3 4,-0.8 -3,-0.2 -2,-0.2 0.628 99.0 58.2 -77.4 -14.1 15.5 -8.0 11.1 105 109 A V H - 0 0 19 -2,-0.3 3,-1.9 4,-0.1 2,-0.2 -0.960 49.7 -64.3-150.0 163.2 10.6 -21.8 13.4 114 118 A P T 3 S+ 0 0 51 0, 0.0 3,-0.1 0, 0.0 563,-0.1 -0.390 126.2 35.5 -47.2 118.9 10.4 -25.1 15.3 115 119 A G T 3 S+ 0 0 69 1,-0.4 2,-0.4 -2,-0.2 562,-0.0 0.428 101.5 97.7 105.6 4.1 9.1 -27.5 12.7 116 120 A R S < S- 0 0 105 -3,-1.9 -1,-0.4 4,-0.0 2,-0.1 -0.962 74.8-112.1-127.5 145.1 11.0 -25.9 9.8 117 121 A S - 0 0 62 -2,-0.4 -4,-0.1 1,-0.1 27,-0.1 -0.385 9.9-140.7 -70.9 147.4 14.3 -26.9 8.2 118 122 A R S S+ 0 0 23 1,-0.2 27,-2.0 26,-0.1 -1,-0.1 0.682 103.1 48.5 -76.1 -18.9 17.3 -24.7 8.5 119 123 A I S S- 0 0 24 25,-0.2 2,-0.3 3,-0.0 3,-0.3 -0.922 87.3-160.0-124.0 105.7 17.9 -25.6 4.9 120 124 A P - 0 0 58 0, 0.0 -4,-0.0 0, 0.0 -2,-0.0 -0.632 51.8 -10.7 -95.1 140.6 14.8 -25.3 2.8 121 125 A G S S+ 0 0 86 -2,-0.3 2,-0.2 1,-0.1 0, 0.0 0.874 85.6 127.4 49.6 66.5 13.9 -26.8 -0.6 122 126 A T - 0 0 68 -3,-0.3 -1,-0.1 2,-0.2 -3,-0.0 -0.732 66.8-115.2-134.4-175.2 17.0 -28.4 -2.0 123 127 A S S S+ 0 0 106 -2,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.393 74.3 119.5-104.4 -0.8 18.1 -31.8 -3.4 124 128 A L S S- 0 0 27 1,-0.1 -2,-0.2 2,-0.1 5,-0.1 -0.326 75.0 -99.0 -63.3 145.8 20.6 -32.4 -0.5 125 129 A T > - 0 0 82 1,-0.1 4,-1.4 2,-0.0 5,-0.2 -0.332 23.1-125.0 -59.9 145.3 20.1 -35.5 1.7 126 130 A S H > S+ 0 0 87 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.882 120.7 48.8 -57.0 -36.6 18.3 -34.8 4.9 127 131 A E H > S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.862 102.3 61.2 -67.0 -38.7 21.4 -36.5 6.3 128 132 A E H 4 S+ 0 0 53 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.775 106.8 45.6 -62.4 -27.6 23.7 -34.3 4.2 129 133 A K H X S+ 0 0 34 -4,-1.4 4,-2.3 -3,-0.2 3,-0.5 0.761 104.3 62.5 -84.1 -28.2 22.3 -31.2 6.0 130 134 A R H X S+ 0 0 113 -4,-1.0 4,-0.9 1,-0.2 -2,-0.2 0.693 93.3 66.6 -68.4 -19.9 22.7 -33.0 9.3 131 135 A Q H < S+ 0 0 99 -4,-1.0 4,-0.4 2,-0.1 -1,-0.2 0.902 112.2 29.0 -66.3 -42.3 26.4 -33.1 8.6 132 136 A I H >> S+ 0 0 42 -4,-0.5 3,-1.4 -3,-0.5 4,-0.7 0.902 111.0 62.1 -88.8 -46.0 26.8 -29.3 8.8 133 137 A E H >< S+ 0 0 67 -4,-2.3 3,-0.6 1,-0.3 -3,-0.1 0.782 100.1 58.8 -53.8 -30.0 24.0 -28.3 11.2 134 138 A Q T 3< S+ 0 0 89 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.851 101.2 54.5 -68.2 -34.2 25.7 -30.3 13.9 135 139 A K T <4 S+ 0 0 173 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.646 91.6 102.9 -72.0 -15.0 28.9 -28.3 13.5 136 140 A L S << S- 0 0 38 -4,-0.7 4,-0.0 -3,-0.6 -3,-0.0 -0.364 70.7-126.1 -73.5 148.3 26.8 -25.1 14.1 137 141 A P - 0 0 93 0, 0.0 3,-0.2 0, 0.0 2,-0.1 0.107 31.5 -95.8 -74.3-165.5 26.8 -23.3 17.5 138 142 A S S S+ 0 0 40 1,-0.2 673,-0.0 69,-0.0 0, 0.0 -0.357 90.7 61.8-107.2-170.2 23.7 -22.4 19.5 139 143 A N + 0 0 40 1,-0.2 -1,-0.2 -2,-0.1 544,-0.0 0.812 65.2 172.8 57.5 32.9 21.5 -19.3 19.9 140 144 A L - 0 0 41 -3,-0.2 -1,-0.2 1,-0.1 67,-0.1 -0.630 28.9-125.4 -73.3 123.3 20.5 -19.6 16.2 141 145 A P - 0 0 17 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.134 32.7 -86.1 -58.0 176.9 17.8 -17.1 15.5 142 146 A D S S+ 0 0 12 -31,-0.0 -30,-2.7 -28,-0.0 2,-0.3 -0.366 99.1 92.8 -87.3 55.6 14.4 -17.9 13.9 143 147 A A B -A 111 0A 2 -2,-1.3 63,-0.2 -32,-0.3 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117.4-121.3 -70.3 -15.9 30.2 -28.4 -3.1 200 204 A G < + 0 0 46 -3,-3.3 -1,-0.0 1,-0.3 -5,-0.0 0.354 67.1 145.3 83.4 -5.5 32.3 -25.6 -1.6 201 205 A M - 0 0 89 -5,-0.1 -4,-2.7 1,-0.1 -1,-0.3 -0.542 50.7-124.4 -68.3 119.7 29.3 -23.4 -2.4 202 206 A P E - C 0 196B 31 0, 0.0 -54,-0.5 0, 0.0 2,-0.3 -0.434 28.1-172.2 -75.5 136.9 29.1 -20.8 0.4 203 207 A F E -BC 147 195B 36 -8,-4.9 -8,-3.2 -2,-0.2 2,-0.4 -0.888 12.4-138.5-123.8 157.5 25.9 -20.4 2.4 204 208 A Y E -BC 146 194B 5 -58,-2.0 -58,-2.4 -2,-0.3 2,-0.4 -0.944 12.8-166.8-126.6 138.5 25.1 -17.8 4.9 205 209 A A - 0 0 9 -12,-0.9 2,-0.7 -2,-0.4 -12,-0.5 -0.949 28.2-123.5-123.9 140.5 23.3 -17.9 8.3 206 210 A L + 0 0 4 -62,-0.5 -63,-0.2 -2,-0.4 -14,-0.1 -0.758 43.3 164.6 -74.7 116.3 21.9 -15.3 10.6 207 211 A T + 0 0 23 -16,-1.1 -1,-0.2 -2,-0.7 -15,-0.2 0.567 53.7 32.4-117.0 -14.8 23.9 -16.3 13.7 208 212 A R - 0 0 91 -17,-0.5 -1,-0.3 1,-0.1 -68,-0.1 -0.958 56.6-150.2-153.0 127.8 23.6 -13.3 16.1 209 213 A P S S+ 0 0 30 0, 0.0 2,-0.2 0, 0.0 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104.5 70.6 -69.6 -0.2 21.0 8.7 44.8 275 279 A K T 3 S+ 0 0 155 -3,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 0.748 90.5 53.7 -87.7 -27.1 19.5 10.9 47.6 276 280 A Y S < S+ 0 0 78 -3,-1.2 271,-1.1 -4,-0.4 2,-0.5 0.167 77.1 118.7-103.9 17.9 18.6 14.0 45.5 277 281 A H + 0 0 84 -3,-0.3 2,-0.3 269,-0.2 269,-0.1 -0.758 20.3 150.7 -97.4 127.5 16.5 12.6 42.7 278 282 A Q - 0 0 137 -2,-0.5 3,-0.4 0, 0.0 -2,-0.0 -0.969 45.7-127.7-138.4 150.5 12.8 13.5 41.9 279 283 A D S S+ 0 0 88 -2,-0.3 2,-0.3 1,-0.2 446,-0.1 0.581 101.0 65.5 -76.8 -7.4 11.4 13.5 38.4 280 284 A D S S+ 0 0 141 2,-0.1 -1,-0.2 508,-0.0 2,-0.2 -0.439 89.6 99.2-111.5 56.2 10.0 17.0 38.7 281 285 A G S S- 0 0 31 -3,-0.4 266,-0.1 -2,-0.3 -4,-0.0 -0.727 73.0 -79.2-142.3-177.3 13.3 19.0 39.0 282 286 A V - 0 0 77 -2,-0.2 266,-0.3 266,-0.1 264,-0.1 -0.771 54.1-105.7 -95.4 123.0 16.2 21.2 37.7 283 287 A P + 0 0 35 0, 0.0 2,-0.4 0, 0.0 305,-0.2 -0.159 44.7 167.3 -57.2 121.4 19.0 19.4 35.8 284 288 A V E -E 546 0D 8 262,-0.8 262,-1.7 303,-0.1 2,-0.4 -0.999 23.9-136.3-138.1 135.0 22.2 19.0 37.7 285 289 A V E +E 545 0D 22 301,-0.7 2,-0.4 -2,-0.4 301,-0.2 -0.812 22.6 172.9-113.2 131.8 25.0 16.7 36.5 286 290 A L E +E 544 0D 43 258,-1.7 258,-2.3 -2,-0.4 2,-0.3 -0.996 10.6 171.2-132.4 130.1 27.3 14.2 38.2 287 291 A Q E -E 543 0D 44 -2,-0.4 2,-0.3 297,-0.3 297,-0.2 -0.993 9.1-165.6-144.1 143.4 29.8 11.8 36.5 288 292 A M + 0 0 45 254,-0.8 2,-0.3 -2,-0.3 254,-0.2 -0.944 7.8 174.3-135.5 153.1 32.6 9.4 37.5 289 293 A V - 0 0 44 -2,-0.3 2,-0.4 293,-0.2 293,-0.1 -0.990 13.1-160.9-154.9 144.2 35.5 7.5 36.0 290 294 A F + 0 0 76 -2,-0.3 2,-0.3 238,-0.2 246,-0.1 -0.996 38.6 117.7-127.1 126.2 38.4 5.3 37.2 291 295 A G - 0 0 33 -2,-0.4 237,-0.1 1,-0.1 238,-0.1 -0.971 54.4 -53.3-169.4-177.7 41.4 4.7 35.0 292 296 A K - 0 0 137 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.115 47.6-115.4 -61.5 177.3 45.2 4.9 34.2 293 297 A K 0 0 113 1,-0.3 -1,-0.1 286,-0.0 286,-0.0 -0.967 360.0 360.0-121.6 140.2 47.3 8.0 34.2 294 298 A E 0 0 176 -2,-0.4 -1,-0.3 230,-0.0 230,-0.0 0.962 360.0 360.0 60.9 360.0 49.1 9.6 31.2 295 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 296 5 B V > 0 0 72 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-175.3 23.6 27.2 22.0 297 6 B D H > + 0 0 71 1,-0.2 4,-0.9 2,-0.2 5,-0.2 0.762 360.0 65.5 -61.3 -26.9 19.9 27.4 20.8 298 7 B L H >> S+ 0 0 7 2,-0.2 4,-3.1 1,-0.2 3,-1.3 0.971 104.1 42.6 -59.0 -55.2 21.0 25.8 17.5 299 8 B I H 3> S+ 0 0 20 1,-0.3 4,-1.8 2,-0.3 -1,-0.2 0.876 111.6 56.3 -57.6 -39.2 21.9 22.5 19.3 300 9 B K H 3< S+ 0 0 92 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.700 120.9 30.2 -65.0 -19.9 18.7 22.9 21.3 301 10 B R H << S+ 0 0 169 -3,-1.3 -2,-0.3 -4,-0.9 -1,-0.2 0.538 125.6 44.7-116.5 -16.4 16.9 23.1 17.9 302 11 B L H < S- 0 0 44 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.907 72.7-179.6 -86.5 -59.4 19.2 20.9 15.9 303 12 B G < - 0 0 51 -4,-1.8 -3,-0.1 -5,-0.2 -4,-0.1 0.976 14.6-172.3 53.0 68.2 19.7 18.0 18.3 304 13 B P - 0 0 24 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.036 31.9 -75.0 -75.5-175.3 22.1 15.9 16.1 305 14 B S > - 0 0 24 1,-0.1 4,-3.2 -212,-0.1 5,-0.2 -0.409 51.6 -98.6 -79.5 164.9 23.3 12.4 16.9 306 15 B A H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 120.7 40.3 -52.7 -56.6 26.0 11.8 19.6 307 16 B M H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.811 116.8 51.5 -67.4 -30.4 29.1 11.5 17.4 308 17 B D H > S+ 0 0 7 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.909 110.0 49.4 -68.3 -43.9 27.8 14.3 15.2 309 18 B Q H X S+ 0 0 53 -4,-3.2 4,-2.5 2,-0.2 5,-0.3 0.918 111.3 49.1 -58.4 -45.9 27.3 16.5 18.3 310 19 B I H X S+ 0 0 13 -4,-2.7 4,-1.2 1,-0.3 -1,-0.2 0.897 110.8 50.7 -60.3 -39.9 30.8 15.6 19.4 311 20 B M H X S+ 0 0 1 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.3 0.784 112.8 50.1 -66.2 -25.7 31.9 16.5 15.9 312 21 B L H >X S+ 0 0 4 -4,-1.4 4,-1.9 -3,-0.2 3,-0.7 0.968 106.4 45.9 -81.4 -58.2 30.0 19.8 16.3 313 22 B Y H 3X S+ 0 0 7 -4,-2.5 4,-1.8 1,-0.3 -1,-0.1 0.805 111.8 57.0 -59.7 -27.9 31.2 21.3 19.6 314 23 B L H 3X S+ 0 0 5 -4,-1.2 4,-0.8 -5,-0.3 -1,-0.3 0.884 104.7 50.6 -65.2 -40.2 34.7 20.4 18.5 315 24 B A H S+ 0 0 0 -4,-0.9 4,-2.1 -3,-0.7 5,-0.8 0.827 106.0 56.9 -68.8 -32.0 34.1 22.5 15.4 316 25 B F H X>S+ 0 0 0 -4,-1.9 5,-1.7 1,-0.2 4,-0.6 0.952 110.5 42.5 -58.6 -51.0 32.9 25.4 17.6 317 26 B S H <>S+ 0 0 0 -4,-1.8 5,-0.5 1,-0.2 -1,-0.2 0.628 117.0 49.5 -72.8 -13.5 36.2 25.4 19.5 318 27 B A H <5S+ 0 0 1 -4,-0.8 6,-2.0 3,-0.2 -1,-0.2 0.800 127.2 12.4 -99.7 -34.3 38.3 25.0 16.4 319 28 B M H <5S+ 0 0 2 -4,-2.1 -3,-0.2 4,-0.2 -2,-0.1 0.786 130.3 42.7-110.7 -49.1 37.0 27.6 14.0 320 29 B R T <> S+ 0 0 66 -262,-1.4 4,-1.5 -261,-0.3 3,-0.8 0.891 109.2 50.5 -79.1 -47.0 38.7 26.1 6.8 327 36 B G H 3> S+ 0 0 16 -262,-0.3 4,-1.5 -263,-0.3 -1,-0.1 0.867 108.0 51.1 -61.3 -40.7 41.1 24.1 4.6 328 37 B A H 3> S+ 0 0 18 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.665 105.6 60.3 -72.0 -16.8 43.4 23.1 7.4 329 38 B F H <> S+ 0 0 7 -3,-0.8 4,-2.6 -4,-0.2 -2,-0.2 0.972 104.4 43.5 -74.3 -58.9 40.3 21.8 9.3 330 39 B L H X S+ 0 0 60 -4,-1.5 4,-4.6 1,-0.2 5,-0.3 0.887 112.8 57.0 -51.5 -42.2 39.1 19.2 6.9 331 40 B D H X S+ 0 0 53 -4,-1.5 4,-5.2 2,-0.2 -1,-0.2 0.948 106.9 45.9 -55.9 -52.9 42.7 18.2 6.5 332 41 B A H X S+ 0 0 3 -4,-1.7 4,-3.6 2,-0.2 -1,-0.2 0.899 116.5 46.1 -57.7 -43.3 43.1 17.5 10.2 333 42 B A H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.975 117.1 43.0 -61.5 -55.2 39.8 15.6 10.1 334 43 B A H X S+ 0 0 23 -4,-4.6 4,-2.7 2,-0.2 -2,-0.2 0.915 115.0 52.1 -54.4 -44.3 40.9 13.8 7.0 335 44 B T H < S+ 0 0 5 -4,-5.2 4,-0.5 49,-0.4 -2,-0.2 0.936 111.3 45.4 -56.8 -48.8 44.3 13.4 8.7 336 45 B A H >X S+ 0 0 0 -4,-3.6 4,-1.0 1,-0.2 3,-0.6 0.829 113.7 50.0 -65.6 -32.4 42.7 11.9 11.8 337 46 B A H 3X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.864 102.3 61.7 -69.3 -37.5 40.5 9.7 9.5 338 47 B K H 3X S+ 0 0 26 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.614 102.9 52.5 -65.2 -12.3 43.7 8.6 7.7 339 48 B C H <> S+ 0 0 10 -3,-0.6 4,-2.1 -4,-0.5 -1,-0.2 0.785 100.0 58.5 -92.7 -34.0 44.9 7.2 11.0 340 49 B A H X S+ 0 0 0 -4,-1.0 4,-1.8 -3,-0.3 -2,-0.2 0.945 107.8 48.5 -57.7 -47.7 41.8 5.1 11.7 341 50 B I H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.884 106.4 57.6 -57.9 -41.0 42.5 3.3 8.5 342 51 B Y H X S+ 0 0 17 -4,-0.6 4,-1.9 1,-0.2 5,-0.2 0.917 103.5 52.5 -58.7 -46.3 46.1 2.8 9.4 343 52 B M H X S+ 0 0 25 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.938 109.8 49.5 -52.0 -52.3 45.1 1.0 12.6 344 53 B T H X S+ 0 0 4 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.946 108.0 51.9 -52.1 -58.1 42.9 -1.4 10.6 345 54 B Y H <>S+ 0 0 39 -4,-2.4 5,-2.0 2,-0.2 6,-0.9 0.844 111.5 46.3 -52.8 -43.4 45.5 -2.2 8.0 346 55 B L H ><5S+ 0 0 85 -4,-1.9 3,-1.9 3,-0.2 -1,-0.2 0.924 114.1 47.7 -65.6 -45.3 48.1 -3.1 10.6 347 56 B E H 3<5S+ 0 0 96 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.824 106.1 59.3 -61.9 -31.1 45.5 -5.2 12.5 348 57 B Q T 3<5S- 0 0 43 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.403 121.8-115.6 -74.9 2.9 44.8 -6.6 9.0 349 58 B G T < 5S- 0 0 55 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.948 76.6 -41.3 60.2 49.7 48.4 -7.7 9.1 350 59 B Q S + 0 0 71 -6,-0.9 4,-1.3 1,-0.1 -1,-0.2 -0.974 24.7 179.3-125.3 119.9 46.2 -6.0 4.0 352 61 B L H > S+ 0 0 51 -2,-0.4 4,-4.0 2,-0.2 5,-0.2 0.910 82.9 52.6 -79.1 -46.2 44.9 -3.2 1.8 353 62 B R H > S+ 0 0 184 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.834 111.4 47.5 -66.3 -33.7 42.1 -5.0 0.2 354 63 B M H >> S+ 0 0 32 2,-0.2 4,-1.3 1,-0.2 3,-0.5 0.947 116.5 43.2 -67.9 -49.8 40.7 -6.2 3.5 355 64 B T H 3X S+ 0 0 0 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.888 108.6 61.8 -59.4 -40.1 41.0 -2.7 4.9 356 65 B G H 3<>S+ 0 0 6 -4,-4.0 5,-2.2 1,-0.3 -1,-0.2 0.811 109.6 39.0 -58.3 -34.0 39.6 -1.3 1.7 357 66 B H H <<5S+ 0 0 42 -4,-1.1 -172,-0.3 -3,-0.5 -1,-0.3 0.678 108.8 64.4 -88.1 -19.8 36.3 -3.2 2.2 358 67 B L H <5S+ 0 0 1 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.1 0.806 119.1 20.1 -73.7 -30.1 36.3 -2.5 5.9 359 68 B H T <5S- 0 0 0 -4,-1.5 -328,-0.9 2,-0.2 -1,-0.2 0.190 110.4-107.8-127.8 14.8 36.0 1.3 5.5 360 69 B H T 5S+ 0 0 51 -4,-0.2 -328,-0.4 1,-0.2 -329,-0.3 0.975 75.6 109.6 55.4 70.4 34.6 1.6 2.0 361 70 B L S > - 0 0 137 -2,-0.3 4,-1.5 1,-0.1 3,-1.1 -0.373 31.5-125.4 -67.7 144.5 39.8 1.7 -2.8 363 72 B P H 3> S+ 0 0 48 0, 0.0 4,-4.5 0, 0.0 5,-0.2 0.773 106.7 69.6 -61.7 -28.3 43.1 0.3 -1.6 364 73 B K H 3> S+ 0 0 177 1,-0.3 4,-1.5 2,-0.3 5,-0.1 0.852 104.4 42.7 -61.7 -33.5 45.0 2.6 -4.0 365 74 B R H <> S+ 0 0 100 -3,-1.1 4,-2.8 2,-0.2 -1,-0.3 0.883 114.6 52.1 -71.1 -40.2 43.9 5.4 -1.7 366 75 B V H X S+ 0 0 0 -4,-1.5 4,-3.2 2,-0.2 -2,-0.3 0.909 107.0 52.6 -61.9 -43.6 44.7 3.1 1.2 367 76 B K H X S+ 0 0 147 -4,-4.5 4,-2.5 2,-0.2 5,-0.2 0.951 113.0 42.6 -57.1 -54.0 48.2 2.5 -0.2 368 77 B A H X S+ 0 0 48 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.954 116.1 49.0 -56.4 -53.4 49.0 6.2 -0.5 369 78 B I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.897 111.6 49.6 -55.2 -45.4 47.5 7.0 2.9 370 79 B V H X S+ 0 0 13 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.939 112.6 45.0 -61.9 -48.2 49.4 4.2 4.6 371 80 B E H X S+ 0 0 72 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.882 110.7 56.0 -66.0 -37.1 52.7 5.1 3.2 372 81 B E H X S+ 0 0 51 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.930 111.8 42.9 -54.2 -49.1 52.0 8.8 4.0 373 82 B V H X S+ 0 0 9 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.938 109.9 52.9 -67.8 -50.2 51.4 7.9 7.7 374 83 B R H X S+ 0 0 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152 E S H > S+ 0 0 48 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.717 126.5 50.3 -73.4 -21.9 -2.1 0.9 25.9 739 153 E F H > S+ 0 0 125 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.868 109.3 45.6 -83.7 -43.0 -4.2 -0.3 23.0 740 154 E E H > S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.840 113.9 51.6 -70.1 -33.4 -1.6 -0.5 20.3 741 155 E F H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 3,-0.4 0.943 108.4 50.7 -61.7 -50.3 0.6 -2.2 22.9 742 156 E L H X S+ 0 0 53 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.908 107.7 55.0 -50.8 -45.2 -2.3 -4.6 23.5 743 157 E E H X S+ 0 0 75 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.843 104.9 52.6 -58.5 -38.1 -2.4 -5.0 19.7 744 158 E L H X S+ 0 0 1 -4,-1.6 4,-1.7 -3,-0.4 -1,-0.2 0.929 109.6 46.7 -66.5 -46.1 1.3 -6.0 19.6 745 159 E I H X S+ 0 0 7 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.891 114.0 51.9 -60.0 -39.4 0.8 -8.7 22.2 746 160 E E H X S+ 0 0 95 -4,-2.4 4,-1.8 -5,-0.2 5,-0.2 0.961 106.6 50.6 -59.3 -55.8 -2.2 -9.8 20.3 747 161 E F H X S+ 0 0 81 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.830 109.3 52.3 -55.1 -37.7 -0.4 -10.1 16.9 748 162 E L 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