==== 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 04-APR-05 1X1D . COMPND 2 MOLECULE: CRTF-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBIUM TEPIDUM; . AUTHOR H.YAMAGUCHI,K.WADA,K.FUKUYAMA . 338 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 6.8 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 0.6 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 . 16 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 2 1 0 2 2 1 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 3 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 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 2 A S > 0 0 125 0, 0.0 4,-1.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -20.0 57.0 44.9 -37.8 2 3 A N H > + 0 0 142 2,-0.2 4,-0.8 1,-0.2 5,-0.0 0.649 360.0 49.8 -80.9 -16.4 57.1 41.5 -39.3 3 4 A N H > S+ 0 0 100 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.667 101.3 60.9 -90.1 -22.9 58.5 40.6 -35.9 4 5 A D H > S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.874 109.9 43.6 -67.4 -35.5 55.6 42.4 -34.4 5 6 A L H X S+ 0 0 91 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.782 104.2 61.1 -78.4 -31.4 53.6 39.8 -36.2 6 7 A L H X S+ 0 0 82 -4,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.797 107.6 48.5 -67.0 -24.3 55.8 36.9 -35.3 7 8 A N H X S+ 0 0 83 -4,-1.1 4,-3.2 2,-0.2 5,-0.3 0.959 107.7 50.9 -76.3 -55.3 54.9 37.8 -31.7 8 9 A Y H X S+ 0 0 150 -4,-1.7 4,-3.6 1,-0.3 5,-0.3 0.941 111.4 51.5 -43.2 -53.7 51.1 38.0 -32.4 9 10 A Y H X S+ 0 0 141 -4,-2.7 4,-2.4 1,-0.2 -1,-0.3 0.940 111.3 46.1 -48.1 -55.8 51.6 34.6 -33.9 10 11 A H H X S+ 0 0 118 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.860 116.5 45.3 -59.0 -37.6 53.4 33.3 -30.8 11 12 A R H X S+ 0 0 133 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.925 110.6 51.2 -73.7 -46.1 50.8 34.8 -28.5 12 13 A A H X S+ 0 0 49 -4,-3.6 4,-1.9 -5,-0.3 5,-0.2 0.931 113.2 47.0 -56.8 -46.7 47.7 33.6 -30.4 13 14 A N H X>S+ 0 0 56 -4,-2.4 4,-2.0 -5,-0.3 5,-1.4 0.769 107.4 57.2 -67.6 -26.1 49.2 30.1 -30.4 14 15 A E H <>S+ 0 0 87 -4,-1.0 5,-2.3 -5,-0.2 6,-0.3 0.929 111.2 42.9 -67.1 -45.1 50.0 30.4 -26.7 15 16 A L H <5S+ 0 0 100 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.830 123.1 36.0 -63.9 -44.6 46.3 31.1 -25.9 16 17 A V H <5S+ 0 0 92 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.840 132.2 13.2 -83.2 -43.7 44.9 28.5 -28.3 17 18 A F T X5S+ 0 0 126 -4,-2.0 4,-3.5 -5,-0.2 5,-0.3 0.894 121.4 44.6-100.4 -62.9 47.2 25.6 -28.1 18 19 A K H > S+ 0 0 89 -6,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.920 115.0 48.2 -71.7 -49.9 45.0 24.0 -23.5 21 22 A I H X S+ 0 0 80 -4,-3.5 4,-1.9 1,-0.2 -3,-0.2 0.867 114.2 46.3 -63.7 -37.5 47.3 21.1 -24.4 22 23 A E H X S+ 0 0 66 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.923 115.3 44.9 -73.2 -43.4 49.4 21.4 -21.2 23 24 A F H X S+ 0 0 71 -4,-1.6 4,-3.0 -5,-0.4 5,-0.2 0.952 112.8 53.1 -63.9 -45.6 46.4 21.6 -19.0 24 25 A S H X S+ 0 0 53 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.888 111.6 44.8 -55.0 -42.2 44.7 18.8 -20.8 25 26 A C H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.843 113.7 48.6 -73.9 -32.5 47.8 16.6 -20.4 26 27 A M H X S+ 0 0 30 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.867 112.5 50.7 -71.6 -35.5 48.2 17.5 -16.7 27 28 A K H X S+ 0 0 23 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.890 110.9 48.2 -67.5 -41.8 44.5 16.8 -16.3 28 29 A A H X S+ 0 0 26 -4,-2.1 4,-1.5 -5,-0.2 5,-0.3 0.979 110.8 49.3 -62.8 -56.7 44.8 13.4 -17.9 29 30 A A H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 4,-0.4 0.854 113.1 49.0 -51.5 -38.9 47.8 12.3 -15.9 30 31 A I H ><5S+ 0 0 32 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.956 112.8 45.0 -67.7 -48.2 45.9 13.4 -12.7 31 32 A E H 3<5S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.615 114.6 50.9 -70.4 -11.3 42.7 11.5 -13.7 32 33 A L T 3<5S- 0 0 53 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.470 106.3-130.5-100.0 -7.1 45.0 8.6 -14.7 33 34 A D T <>5 + 0 0 80 -3,-1.3 4,-1.5 -4,-0.4 -3,-0.2 0.813 58.1 149.4 59.6 30.1 46.7 8.8 -11.3 34 35 A L H >>< + 0 0 0 -5,-2.8 4,-2.4 -6,-0.2 3,-0.5 0.951 62.0 51.1 -59.2 -57.1 49.9 8.7 -13.4 35 36 A F H 3> S+ 0 0 8 -6,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.848 106.6 57.4 -52.4 -36.3 52.1 10.7 -11.2 36 37 A S H 34 S+ 0 0 40 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.921 110.5 41.3 -63.8 -42.9 51.1 8.5 -8.3 37 38 A H H - 0 0 58 -2,-0.3 4,-1.9 34,-0.3 3,-0.4 -0.538 40.1-101.4 -85.9 155.6 58.3 1.1 -19.0 45 46 A L H > S+ 0 0 32 32,-0.3 4,-3.3 1,-0.2 5,-0.3 0.893 122.4 55.3 -39.9 -55.0 55.2 2.1 -21.0 46 47 A A H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 108.4 47.0 -45.8 -55.0 53.8 -1.4 -20.5 47 48 A T H > S+ 0 0 57 -3,-0.4 4,-2.7 2,-0.2 3,-0.3 0.950 115.7 43.2 -54.9 -57.0 54.1 -1.2 -16.7 48 49 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.3 6,-0.3 0.892 111.3 55.3 -57.4 -42.7 52.5 2.3 -16.4 49 50 A A H X>S+ 0 0 4 -4,-3.3 5,-1.7 -5,-0.3 4,-0.6 0.872 110.8 46.8 -59.0 -35.5 49.8 1.4 -18.9 50 51 A A H ><5S+ 0 0 74 -4,-2.0 3,-1.0 -5,-0.3 -2,-0.2 0.953 110.7 50.7 -70.9 -48.8 49.0 -1.5 -16.7 51 52 A D H 3<5S+ 0 0 61 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.808 117.2 40.4 -56.9 -34.7 49.0 0.6 -13.5 52 53 A T H 3<5S- 0 0 26 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.469 104.8-123.8 -95.8 -5.3 46.7 3.1 -15.1 53 54 A G T <<5 + 0 0 73 -3,-1.0 2,-0.2 -4,-0.6 -3,-0.2 0.796 67.9 132.2 66.3 28.2 44.4 0.7 -16.8 54 55 A S < - 0 0 34 -5,-1.7 -1,-0.2 -6,-0.3 -2,-0.1 -0.720 65.8 -98.2-111.0 161.1 45.1 2.5 -20.1 55 56 A V >> - 0 0 69 -2,-0.2 4,-2.4 1,-0.1 3,-1.0 -0.699 32.7-131.3 -84.8 120.4 46.0 1.2 -23.6 56 57 A P H 3> S+ 0 0 58 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.780 101.4 48.9 -32.4 -61.8 49.8 1.4 -24.2 57 58 A P H 3> S+ 0 0 84 0, 0.0 4,-0.9 0, 0.0 -2,-0.0 0.893 118.0 43.5 -55.8 -38.0 49.9 3.0 -27.7 58 59 A R H <> S+ 0 0 194 -3,-1.0 4,-1.1 2,-0.2 3,-0.5 0.918 112.4 49.5 -73.6 -45.6 47.5 5.7 -26.4 59 60 A L H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 3,-0.4 0.923 103.5 64.4 -58.4 -44.1 49.1 6.3 -23.0 60 61 A E H X S+ 0 0 101 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.822 96.8 54.7 -49.7 -38.3 52.5 6.6 -24.8 61 62 A M H X S+ 0 0 141 -4,-0.9 4,-2.3 -3,-0.5 -1,-0.2 0.924 110.0 45.3 -64.3 -45.3 51.4 9.8 -26.7 62 63 A L H X S+ 0 0 24 -4,-1.1 4,-2.9 -3,-0.4 -1,-0.2 0.873 112.6 53.9 -62.3 -40.1 50.4 11.6 -23.5 63 64 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.916 108.9 47.6 -61.4 -45.0 53.7 10.3 -22.0 64 65 A E H X S+ 0 0 57 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.881 113.1 48.3 -64.2 -39.7 55.6 11.8 -24.9 65 66 A T H X S+ 0 0 44 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.955 110.3 49.8 -67.3 -48.7 53.8 15.1 -24.6 66 67 A L H X>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.2 4,-1.2 0.909 110.6 53.8 -53.6 -40.6 54.3 15.3 -20.8 67 68 A R H ><5S+ 0 0 88 -4,-2.1 3,-0.6 -5,-0.2 -1,-0.2 0.945 108.3 46.9 -58.7 -51.1 58.0 14.6 -21.7 68 69 A Q H 3<5S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.890 110.5 52.0 -60.7 -41.0 58.2 17.5 -24.1 69 70 A M H 3<5S- 0 0 40 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.738 118.9-118.3 -65.7 -21.3 56.5 19.9 -21.7 70 71 A R T <<5S+ 0 0 202 -4,-1.2 -3,-0.2 -3,-0.6 -2,-0.1 0.911 81.1 119.0 76.6 59.7 59.2 18.7 -19.2 71 72 A V S -B 78 0A 114 3,-2.5 3,-0.6 -2,-0.5 -2,-0.0 -0.905 67.4 -24.1-141.1 110.5 65.7 7.2 -20.1 76 77 A D T 3 S- 0 0 156 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.971 126.1 -44.1 55.1 62.3 66.5 3.8 -21.6 77 78 A G T 3 S+ 0 0 50 1,-0.1 2,-0.4 -33,-0.0 -32,-0.3 0.595 119.0 107.1 62.2 12.2 62.9 2.6 -22.1 78 79 A K E < - B 0 75A 100 -3,-0.6 -3,-2.5 -34,-0.2 2,-0.3 -0.981 55.2-150.7-131.4 128.7 61.8 3.8 -18.7 79 80 A W E +AB 43 74A 14 -36,-3.7 -36,-2.3 -2,-0.4 2,-0.3 -0.668 24.2 159.7 -91.1 145.8 59.6 6.8 -17.8 80 81 A S E - B 0 73A 13 -7,-1.9 -7,-1.9 -2,-0.3 2,-0.2 -0.900 40.6 -83.9-143.0-171.3 59.9 8.7 -14.5 81 82 A L E - B 0 72A 22 -43,-0.3 -9,-0.3 -2,-0.3 2,-0.1 -0.582 39.3-121.1 -95.2 160.1 59.0 12.1 -13.0 82 83 A T > - 0 0 15 -11,-1.9 4,-2.6 -2,-0.2 5,-0.3 -0.380 32.6-102.4 -85.3 177.1 61.2 15.2 -13.4 83 84 A E H > S+ 0 0 179 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.966 125.7 51.6 -64.9 -47.5 62.6 17.0 -10.4 84 85 A F H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.888 114.5 41.8 -53.2 -47.0 59.9 19.6 -10.8 85 86 A A H > S+ 0 0 0 -14,-0.3 4,-3.7 2,-0.2 5,-0.5 0.949 109.8 52.5 -69.3 -54.9 57.1 17.0 -11.0 86 87 A D H < S+ 0 0 61 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.821 117.9 43.4 -52.1 -30.1 58.2 14.6 -8.2 87 88 A Y H < S+ 0 0 82 -4,-1.6 7,-0.6 -5,-0.3 8,-0.3 0.828 126.8 26.6 -85.9 -35.2 58.3 17.7 -6.0 88 89 A M H < S+ 0 0 27 -4,-1.8 12,-1.6 -5,-0.2 13,-1.2 0.742 129.1 30.5-103.5 -26.3 55.1 19.4 -7.2 89 90 A F S < S+ 0 0 27 -4,-3.7 -3,-0.2 11,-0.2 -2,-0.1 0.189 83.6 116.8-122.4 18.6 52.7 16.7 -8.4 90 91 A S S S- 0 0 2 -5,-0.5 11,-0.2 -4,-0.3 -54,-0.1 -0.283 75.7-111.0 -76.5 169.5 53.6 13.6 -6.3 91 92 A P S S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -55,-0.1 0.957 104.3 46.4 -68.8 -46.7 50.9 12.2 -4.0 92 93 A T S S- 0 0 85 -56,-0.1 2,-0.4 9,-0.0 -2,-0.2 -0.762 93.5-115.5 -96.9 141.0 52.7 13.2 -0.8 93 94 A P - 0 0 60 0, 0.0 6,-0.1 0, 0.0 -5,-0.1 -0.602 11.5-159.1 -79.0 128.8 54.3 16.7 -0.4 94 95 A K S S+ 0 0 98 -7,-0.6 5,-0.1 -2,-0.4 -6,-0.1 0.724 96.0 28.5 -75.2 -20.9 58.0 17.0 -0.1 95 96 A E S > S- 0 0 33 3,-0.4 3,-2.1 -8,-0.3 -1,-0.3 -0.928 81.6-142.3-141.4 112.1 57.3 20.4 1.4 96 97 A P T 3 S+ 0 0 77 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.667 98.7 43.4 -48.1 -24.8 54.0 20.8 3.3 97 98 A N T 3 S+ 0 0 27 1,-0.2 57,-2.1 55,-0.1 56,-0.3 0.260 111.9 51.2-110.7 12.8 53.5 24.4 2.1 98 99 A L S < S+ 0 0 29 -3,-2.1 -3,-0.4 54,-0.2 2,-0.3 -0.733 70.7 125.5-148.7 91.3 54.4 24.1 -1.6 99 100 A H - 0 0 8 52,-2.6 4,-0.3 -2,-0.2 -11,-0.1 -0.939 36.7-165.7-152.4 124.4 52.6 21.2 -3.2 100 101 A Q > + 0 0 70 -12,-1.6 4,-2.3 -2,-0.3 3,-0.5 0.768 68.4 87.3 -86.6 -26.5 50.5 21.4 -6.4 101 102 A T H > S+ 0 0 14 -13,-1.2 4,-2.5 -11,-0.2 5,-0.2 0.838 85.8 51.2 -41.1 -56.2 48.5 18.1 -6.3 102 103 A P H > S+ 0 0 10 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.901 117.4 37.8 -52.5 -48.7 45.6 19.2 -4.1 103 104 A V H > S+ 0 0 40 -3,-0.5 4,-2.3 -4,-0.3 -2,-0.2 0.761 112.1 59.6 -77.5 -25.6 44.7 22.3 -6.2 104 105 A A H X S+ 0 0 13 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.958 104.7 49.1 -65.6 -48.5 45.5 20.5 -9.4 105 106 A K H X S+ 0 0 116 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.862 111.4 51.2 -57.0 -36.5 42.8 17.9 -8.7 106 107 A A H X S+ 0 0 7 -4,-1.1 4,-2.8 -5,-0.2 -1,-0.2 0.906 111.4 46.1 -69.7 -40.7 40.4 20.7 -7.9 107 108 A M H X S+ 0 0 50 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.920 106.2 58.0 -67.2 -44.6 41.1 22.5 -11.2 108 109 A A H X S+ 0 0 4 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.917 112.5 43.6 -53.5 -39.9 40.9 19.3 -13.2 109 110 A F H >X S+ 0 0 75 -4,-1.5 4,-2.8 -5,-0.2 3,-0.5 0.966 112.0 50.1 -69.5 -55.2 37.4 19.0 -11.8 110 111 A L H 3X>S+ 0 0 22 -4,-2.8 4,-3.7 1,-0.2 5,-1.9 0.796 101.3 65.2 -54.9 -30.5 36.3 22.7 -12.3 111 112 A A H 3<>S+ 0 0 4 -4,-2.8 5,-2.5 2,-0.2 6,-0.2 0.961 113.2 32.0 -57.3 -52.1 37.5 22.6 -15.9 112 113 A D H <<5S+ 0 0 111 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.926 123.9 48.7 -67.8 -48.4 34.8 20.1 -16.7 113 114 A D H <5S- 0 0 45 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.820 135.8 -16.7 -65.3 -38.8 32.3 21.4 -14.2 114 115 A F T ><5S+ 0 0 0 -4,-3.7 3,-1.4 -5,-0.2 7,-0.2 0.635 117.8 66.2-136.0 -50.1 32.5 25.1 -15.0 115 116 A Y G > S+ 0 0 11 -3,-1.4 4,-1.6 -6,-0.2 3,-1.2 0.059 72.7 121.9-111.0 23.8 31.1 26.3 -20.1 118 119 A L H <> + 0 0 51 -3,-2.0 4,-2.7 1,-0.3 5,-0.2 0.834 69.4 61.0 -53.7 -36.9 32.0 29.8 -19.1 119 120 A S H 3> S+ 0 0 80 -3,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.842 105.8 49.3 -62.0 -30.7 30.2 31.4 -22.1 120 121 A Q H <4>S+ 0 0 85 -3,-1.2 5,-1.4 2,-0.2 6,-0.8 0.883 108.2 51.0 -75.1 -40.8 27.0 29.8 -20.9 121 122 A A H ><5S+ 0 0 4 -4,-1.6 3,-3.2 4,-0.2 5,-0.3 0.977 108.4 52.8 -59.7 -52.8 27.4 31.1 -17.3 122 123 A V H 3<5S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 107.2 54.0 -51.2 -32.4 28.0 34.6 -18.8 123 124 A R T 3<5S- 0 0 192 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.367 117.4-114.3 -85.9 6.1 24.7 34.1 -20.7 124 125 A G T < 5S+ 0 0 57 -3,-3.2 -3,-0.2 170,-0.3 -2,-0.1 0.292 91.3 110.7 80.6 -11.3 22.8 33.3 -17.5 125 126 A Q S S- 0 0 69 1,-0.1 4,-3.0 2,-0.0 5,-0.2 -0.213 79.5-127.9 -61.2 150.5 31.8 19.4 7.4 139 140 A R H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 119.1 48.8 -64.7 -42.1 35.1 18.6 9.0 140 141 A E H > S+ 0 0 154 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.858 110.8 52.3 -64.4 -33.4 35.9 16.9 5.7 141 142 A D H > S+ 0 0 28 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.959 110.7 43.5 -68.5 -52.0 34.6 20.1 4.0 142 143 A N H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.907 112.7 55.3 -59.1 -41.5 36.8 22.5 5.8 143 144 A L H X S+ 0 0 62 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.917 100.7 57.4 -58.0 -46.9 39.7 20.2 5.5 144 145 A Y H X S+ 0 0 57 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.902 115.8 37.1 -51.0 -44.9 39.4 20.0 1.7 145 146 A F H X S+ 0 0 39 -4,-1.4 4,-2.4 2,-0.2 3,-0.5 0.952 114.6 52.0 -74.1 -52.3 39.8 23.8 1.6 146 147 A E H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.3 33,-0.3 0.723 106.8 57.4 -58.0 -21.6 42.4 24.2 4.3 147 148 A E H X S+ 0 0 84 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.3 0.901 107.5 45.7 -75.6 -42.4 44.5 21.6 2.6 148 149 A I H >< S+ 0 0 26 -4,-1.1 3,-1.1 -3,-0.5 4,-0.3 0.972 114.7 47.2 -63.0 -54.8 44.6 23.7 -0.6 149 150 A H H >< S+ 0 0 41 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.899 111.4 50.7 -53.5 -46.5 45.4 26.9 1.2 150 151 A R H >< S+ 0 0 53 -4,-1.8 3,-0.7 1,-0.2 -1,-0.3 0.694 99.7 68.2 -68.0 -18.0 48.1 25.3 3.3 151 152 A S T << S+ 0 0 10 -3,-1.1 -52,-2.6 -4,-0.9 -1,-0.2 0.470 111.0 28.5 -83.9 1.4 49.7 23.8 0.1 152 153 A N T < S+ 0 0 47 -3,-1.3 4,-0.3 -4,-0.3 -1,-0.2 -0.065 88.1 100.1-150.2 37.8 50.8 27.2 -1.3 153 154 A A <> + 0 0 0 -3,-0.7 4,-2.8 -56,-0.3 5,-0.2 0.509 52.3 99.9-101.0 -8.6 51.3 29.3 1.8 154 155 A K H > S+ 0 0 51 -57,-2.1 4,-3.0 1,-0.2 -1,-0.1 0.855 83.8 44.5 -45.3 -47.5 55.1 28.9 1.8 155 156 A F H > S+ 0 0 75 -58,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.940 111.9 50.3 -70.2 -43.2 55.9 32.2 0.1 156 157 A A H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.945 114.5 48.1 -56.8 -41.6 53.5 34.2 2.2 157 158 A I H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.948 108.2 54.2 -59.6 -52.7 55.2 32.5 5.2 158 159 A Q H X S+ 0 0 62 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.779 109.6 47.2 -54.9 -34.5 58.6 33.4 3.8 159 160 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 -3,-0.2 5,-0.5 0.900 109.8 51.7 -77.1 -41.9 57.7 37.0 3.6 160 161 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.962 108.8 50.2 -58.3 -54.0 56.3 37.3 7.1 161 162 A L H < S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.763 118.1 41.6 -56.0 -27.0 59.3 35.7 8.7 162 163 A E H < S+ 0 0 82 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.2 0.869 132.3 16.1 -90.7 -41.0 61.5 38.2 6.8 163 164 A E H < S+ 0 0 72 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.520 87.2 121.0-112.6 -7.9 59.6 41.5 7.0 164 165 A A < - 0 0 15 -4,-3.3 2,-0.8 -5,-0.5 3,-0.1 -0.384 48.1-154.1 -62.5 130.1 57.1 41.0 9.8 165 166 A K + 0 0 81 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 -0.868 40.0 139.1-107.0 95.9 57.6 43.5 12.6 166 167 A L > + 0 0 4 -2,-0.8 3,-2.4 3,-0.1 -1,-0.1 0.191 16.1 142.0-124.2 14.9 56.3 41.9 15.8 167 168 A D T 3 S+ 0 0 108 1,-0.3 3,-0.1 -3,-0.1 -2,-0.0 -0.372 81.2 14.1 -58.3 131.3 58.8 42.9 18.4 168 169 A G T 3 S+ 0 0 77 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.286 97.1 128.4 84.6 -13.2 57.0 43.6 21.6 169 170 A V < + 0 0 10 -3,-2.4 -1,-0.3 1,-0.2 3,-0.1 -0.660 25.0 164.7 -80.0 127.8 53.9 41.9 20.2 170 171 A K + 0 0 103 -2,-0.4 24,-1.3 1,-0.2 2,-0.6 0.803 61.4 35.8-109.8 -50.4 52.5 39.3 22.6 171 172 A K E -c 194 0B 93 22,-0.2 65,-2.6 24,-0.0 66,-1.2 -0.887 69.0-176.2-117.3 106.6 49.0 38.3 21.6 172 173 A M E -cd 195 237B 2 22,-3.1 24,-1.9 -2,-0.6 2,-0.5 -0.616 17.9-145.4 -98.5 156.8 48.2 38.2 17.9 173 174 A I E -cd 196 238B 4 64,-1.4 66,-2.6 -2,-0.2 2,-0.9 -0.958 8.6-155.9-123.2 109.1 44.8 37.5 16.1 174 175 A D E > -cd 197 239B 0 22,-1.2 24,-2.8 -2,-0.5 3,-1.1 -0.764 13.6-150.0 -89.5 105.1 45.1 35.7 12.8 175 176 A V E 3 S-c 198 0B 0 64,-2.6 66,-0.4 -2,-0.9 24,-0.1 -0.646 80.9 -8.3 -80.6 105.2 42.0 36.6 10.8 176 177 A G T 3 S+ 0 0 0 22,-1.7 -1,-0.3 -2,-0.9 23,-0.2 0.910 85.8 172.7 74.2 43.6 41.0 33.8 8.5 177 178 A G X - 0 0 1 -3,-1.1 3,-1.3 21,-0.9 5,-0.4 0.303 26.9-142.1 -72.3 10.0 44.2 32.1 9.5 178 179 A G T 3 - 0 0 1 20,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.265 63.4 -24.3 63.9-151.7 43.5 28.8 7.7 179 180 A I T 3 S- 0 0 11 -33,-0.3 -1,-0.2 -3,-0.1 31,-0.2 0.503 97.2-101.2 -75.3 -3.4 44.6 25.6 9.3 180 181 A G S <> S+ 0 0 0 -3,-1.3 4,-2.1 30,-0.1 5,-0.2 0.516 86.4 123.3 99.8 3.4 47.3 27.5 11.2 181 182 A D H > S+ 0 0 9 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.908 77.6 51.7 -64.6 -39.0 50.4 26.7 9.3 182 183 A I H > S+ 0 0 3 -5,-0.4 4,-1.7 1,-0.2 3,-0.5 0.987 114.9 39.2 -58.8 -64.4 51.1 30.4 8.8 183 184 A S H > S+ 0 0 0 -6,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.813 111.7 59.0 -56.4 -34.7 50.9 31.4 12.4 184 185 A A H X S+ 0 0 5 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.920 104.4 50.5 -62.8 -42.4 52.6 28.2 13.5 185 186 A A H >X S+ 0 0 21 -4,-1.9 3,-0.7 -3,-0.5 4,-0.5 0.925 110.9 49.5 -59.5 -46.3 55.7 29.2 11.5 186 187 A M H >X S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 4,-1.2 0.863 101.0 61.7 -63.7 -37.5 55.7 32.7 13.1 187 188 A L H 3< S+ 0 0 1 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.845 100.1 57.8 -58.4 -30.5 55.4 31.3 16.6 188 189 A K H << S+ 0 0 174 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.714 112.7 38.6 -70.9 -21.3 58.8 29.6 15.8 189 190 A H H << S+ 0 0 114 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.480 115.2 51.5-109.0 -4.7 60.4 33.0 15.1 190 191 A F >< - 0 0 40 -4,-1.2 3,-2.8 -3,-0.3 -1,-0.2 -0.727 66.8-169.2-134.8 81.9 58.8 35.1 17.7 191 192 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.713 86.2 46.0 -40.8 -35.1 59.2 33.3 21.1 192 193 A E T 3 S+ 0 0 151 -23,-0.1 2,-0.2 2,-0.0 -5,-0.1 0.397 89.3 111.1 -96.3 3.9 56.8 35.6 22.9 193 194 A L < - 0 0 2 -3,-2.8 2,-0.4 -6,-0.2 -22,-0.2 -0.499 43.0-171.1 -83.1 148.5 54.0 35.5 20.3 194 195 A D E -c 171 0B 13 -24,-1.3 -22,-3.1 -2,-0.2 2,-0.5 -0.988 8.8-157.7-138.0 122.4 50.6 33.9 20.8 195 196 A S E -ce 172 220B 0 24,-2.0 26,-1.5 -2,-0.4 2,-0.6 -0.903 10.7-168.7-114.0 133.2 48.2 33.5 18.0 196 197 A T E -ce 173 221B 19 -24,-1.9 -22,-1.2 -2,-0.5 2,-0.4 -0.959 21.1-146.8-115.3 108.6 44.4 33.0 18.1 197 198 A I E -ce 174 222B 0 24,-2.7 26,-2.0 -2,-0.6 2,-0.6 -0.651 0.9-148.3 -84.2 125.3 43.1 32.0 14.7 198 199 A L E +ce 175 223B 0 -24,-2.8 -22,-1.7 -2,-0.4 -21,-0.9 -0.799 41.3 138.2 -89.4 125.8 39.6 33.2 13.7 199 200 A N E - e 0 224B 4 24,-1.8 26,-0.8 -2,-0.6 5,-0.1 -0.966 54.1 -61.8-159.0 172.3 38.1 30.6 11.5 200 201 A L >> - 0 0 24 -2,-0.3 3,-3.1 24,-0.2 4,-0.9 -0.283 49.2-114.1 -61.3 142.6 34.9 28.7 10.6 201 202 A P H >> S+ 0 0 96 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.864 116.9 55.7 -44.6 -46.4 33.4 26.4 13.2 202 203 A G H 34 S+ 0 0 19 -66,-0.3 4,-0.2 1,-0.2 -60,-0.2 0.452 107.6 51.6 -71.1 2.5 34.2 23.3 11.2 203 204 A A H <> S+ 0 0 0 -3,-3.1 4,-2.2 2,-0.1 -1,-0.2 0.583 83.2 85.1-112.0 -16.7 37.8 24.3 11.1 204 205 A I H S+ 0 0 8 -4,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.859 111.7 48.1 -56.8 -36.3 41.6 21.1 12.4 207 208 A V H >X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 3,-0.5 0.976 113.3 44.0 -69.3 -55.8 43.4 24.2 13.7 208 209 A N H 3X S+ 0 0 60 -4,-2.6 4,-2.0 1,-0.3 -2,-0.2 0.867 111.8 54.1 -58.4 -37.5 43.9 22.9 17.3 209 210 A E H 3X S+ 0 0 83 -4,-3.0 4,-1.7 -5,-0.2 -1,-0.3 0.852 108.1 51.5 -65.6 -31.6 45.0 19.5 16.0 210 211 A N H S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 6,-0.5 0.899 107.7 53.1 -53.5 -42.3 48.9 23.2 16.9 212 213 A A H ><5S+ 0 0 67 -4,-2.0 3,-1.1 3,-0.2 -1,-0.2 0.916 109.4 47.7 -60.9 -44.4 49.3 19.9 18.7 213 214 A E H 3<5S+ 0 0 151 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.896 113.7 46.6 -63.7 -41.6 51.3 18.3 15.9 214 215 A K T 3<5S- 0 0 84 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.322 114.8-118.6 -83.1 7.7 53.6 21.4 15.6 215 216 A G T < 5S+ 0 0 54 -3,-1.1 -3,-0.2 -5,-0.2 -4,-0.1 0.791 86.5 105.3 60.7 34.3 54.0 21.4 19.3 216 217 A V >>< + 0 0 14 -5,-3.0 4,-2.1 -6,-0.2 3,-1.8 0.027 26.4 124.9-133.1 30.4 52.5 24.9 19.9 217 218 A A T 34 S+ 0 0 51 -6,-0.5 -5,-0.1 1,-0.3 -1,-0.1 0.852 75.6 57.5 -55.6 -38.7 49.1 24.1 21.4 218 219 A D T 34 S+ 0 0 123 1,-0.2 -1,-0.3 -7,-0.1 3,-0.1 0.609 118.5 31.3 -70.1 -12.1 49.9 26.3 24.3 219 220 A R T <4 S+ 0 0 58 -3,-1.8 -24,-2.0 1,-0.2 2,-0.4 0.536 118.3 48.9-122.7 -14.1 50.5 29.3 22.0 220 221 A M E < +e 195 0B 1 -4,-2.1 2,-0.3 -26,-0.2 -1,-0.2 -0.989 61.2 154.1-130.9 139.8 48.2 28.7 19.0 221 222 A R E -e 196 0B 73 -26,-1.5 -24,-2.7 -2,-0.4 2,-0.2 -0.985 34.9-111.4-158.1 162.2 44.5 27.9 19.1 222 223 A G E -e 197 0B 15 -2,-0.3 2,-0.3 -18,-0.3 -24,-0.2 -0.637 23.5-173.2 -99.4 157.6 41.3 28.3 17.1 223 224 A I E -e 198 0B 55 -26,-2.0 -24,-1.8 -2,-0.2 2,-0.8 -0.942 25.8-126.7-152.1 126.1 38.2 30.4 17.8 224 225 A A E +e 199 0B 54 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.644 51.3 140.2 -77.2 109.7 34.9 30.5 16.0 225 226 A V - 0 0 17 -26,-0.8 2,-0.4 -2,-0.8 -2,-0.1 -0.927 56.2-117.7-152.9 122.2 34.3 34.1 15.0 226 227 A D > - 0 0 52 -2,-0.3 4,-1.7 1,-0.2 -2,-0.0 -0.488 22.8-150.1 -63.1 116.5 32.8 35.4 11.8 227 228 A I T 4 S+ 0 0 5 -2,-0.4 -1,-0.2 1,-0.2 5,-0.1 0.736 91.4 34.9 -63.2 -21.3 35.6 37.5 10.3 228 229 A Y T 4 S+ 0 0 105 3,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.889 123.9 35.2 -97.5 -50.9 33.2 39.8 8.6 229 230 A K T 4 S+ 0 0 179 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.793 108.9 66.6 -76.3 -31.9 30.1 40.1 10.8 230 231 A E S < S- 0 0 93 -4,-1.7 2,-0.3 1,-0.0 28,-0.1 -0.566 78.5-116.7 -99.1 159.2 31.8 40.0 14.2 231 232 A S - 0 0 95 -2,-0.2 -5,-0.1 1,-0.1 -3,-0.1 -0.642 37.4-120.0 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