==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 09-APR-09 3H0D . COMPND 2 MOLECULE: CTSR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS STEAROTHERMOPHILUS; . AUTHOR T.CLAUSEN,J.FUHRMANN . 306 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 73.9 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 . 28 9.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 45.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 2 0 0 2 1 0 4 1 0 3 1 0 0 2 0 0 0 0 0 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 . 0 0 1 2 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 . 1 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 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 P 0 0 135 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.3 6.5 75.6 50.9 2 3 A N > - 0 0 82 1,-0.1 4,-1.8 4,-0.0 3,-0.3 -0.455 360.0-106.0 -78.5 161.5 9.5 75.6 48.5 3 4 A I H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.808 117.2 58.2 -64.7 -31.5 8.7 76.5 44.9 4 5 A S H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 109.7 45.8 -61.4 -43.4 9.0 72.9 43.6 5 6 A D H > S+ 0 0 57 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.866 111.9 51.4 -68.4 -35.6 6.3 71.7 46.1 6 7 A I H X S+ 0 0 59 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.940 111.6 45.8 -69.1 -45.9 4.1 74.7 45.2 7 8 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.884 113.2 51.4 -63.7 -36.9 4.3 74.0 41.5 8 9 A E H X S+ 0 0 10 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.955 111.2 46.0 -63.1 -52.9 3.6 70.3 42.2 9 10 A Q H X S+ 0 0 107 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.887 112.5 53.6 -58.4 -36.1 0.5 71.0 44.3 10 11 A Y H X S+ 0 0 87 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.937 111.4 42.5 -66.3 -46.8 -0.6 73.4 41.7 11 12 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.875 113.7 53.2 -66.0 -38.2 -0.4 70.9 38.8 12 13 A K H X S+ 0 0 46 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.901 107.9 51.0 -64.0 -38.7 -1.9 68.2 41.0 13 14 A Q H < S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 108.2 50.7 -67.3 -39.4 -4.9 70.4 41.7 14 15 A V H >< S+ 0 0 43 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.902 109.6 54.8 -63.1 -39.0 -5.4 71.1 38.1 15 16 A L H >< S+ 0 0 1 -4,-2.1 3,-1.3 1,-0.2 6,-0.4 0.923 106.7 46.4 -60.9 -49.1 -5.3 67.4 37.5 16 17 A N T 3< S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.118 110.0 53.3 -86.2 26.8 -8.0 66.5 40.0 17 18 A X T < S+ 0 0 139 -3,-1.2 -1,-0.3 -5,-0.1 2,-0.2 0.162 97.7 97.9-128.2 -1.3 -10.4 69.2 38.8 18 19 A S S < S- 0 0 40 -3,-1.3 5,-0.1 -4,-0.1 -3,-0.0 -0.552 73.5-137.5 -91.3 155.8 -9.8 67.7 35.3 19 20 A D S S+ 0 0 158 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 0.943 100.9 26.5 -75.8 -48.7 -12.0 65.2 33.5 20 21 A Q S S- 0 0 114 2,-0.2 -1,-0.1 135,-0.0 134,-0.1 0.426 101.0-115.9 -98.9 2.4 -9.3 62.9 32.1 21 22 A D S S+ 0 0 30 -6,-0.4 50,-2.3 1,-0.2 2,-0.3 0.951 80.5 115.4 62.1 45.3 -6.5 63.3 34.6 22 23 A I E -A 70 0A 41 48,-0.2 2,-0.4 -7,-0.2 -2,-0.2 -0.921 43.8-171.9-147.4 117.8 -4.3 64.8 32.0 23 24 A V E -A 69 0A 13 46,-2.4 46,-2.4 -2,-0.3 2,-0.5 -0.942 7.4-156.9-117.5 134.6 -3.0 68.3 32.1 24 25 A E E +A 68 0A 102 -2,-0.4 2,-0.3 44,-0.2 44,-0.2 -0.913 18.7 175.5-109.2 131.4 -1.1 70.1 29.3 25 26 A I E -A 67 0A 17 42,-2.7 42,-2.7 -2,-0.5 2,-0.6 -0.916 34.4-126.9-133.0 162.0 1.1 73.1 30.0 26 27 A K > - 0 0 70 -2,-0.3 4,-2.0 40,-0.2 5,-0.2 -0.936 24.7-145.0-105.4 117.9 3.5 75.5 28.3 27 28 A R H > S+ 0 0 95 -2,-0.6 4,-2.7 1,-0.2 3,-0.3 0.937 97.8 48.7 -50.9 -54.1 6.7 75.3 30.3 28 29 A S H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 109.4 53.7 -53.0 -45.6 7.6 79.0 29.8 29 30 A E H > S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 112.0 43.8 -59.1 -40.2 4.0 80.0 30.8 30 31 A I H X S+ 0 0 10 -4,-2.0 4,-1.9 -3,-0.3 -1,-0.2 0.884 111.4 52.3 -75.7 -39.4 4.2 78.2 34.1 31 32 A A H <>S+ 0 0 3 -4,-2.7 5,-2.2 -5,-0.2 4,-0.4 0.926 112.1 48.8 -62.7 -37.3 7.8 79.3 34.9 32 33 A N H ><5S+ 0 0 132 -4,-2.6 3,-1.8 -5,-0.3 -2,-0.2 0.971 108.0 52.7 -63.1 -52.3 6.5 82.8 34.3 33 34 A K H 3<5S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.814 117.1 38.7 -55.0 -32.4 3.5 82.3 36.6 34 35 A F T 3<5S- 0 0 38 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.315 108.3-122.4-104.4 12.9 5.7 81.1 39.4 35 36 A R T < 5S+ 0 0 236 -3,-1.8 2,-0.3 -4,-0.4 -3,-0.2 0.936 71.6 117.2 51.2 56.9 8.5 83.6 38.9 36 37 A C S - 0 0 88 -2,-0.3 3,-2.0 -3,-0.1 4,-0.4 -0.514 43.8-109.2 -80.2 154.4 13.4 79.9 35.6 38 39 A P T >> S+ 0 0 54 0, 0.0 3,-2.2 0, 0.0 4,-0.7 0.859 114.1 60.8 -47.4 -48.5 12.0 77.4 33.0 39 40 A S H 3> S+ 0 0 70 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.487 85.2 78.5 -65.1 -1.9 14.1 74.4 34.0 40 41 A Q H <> S+ 0 0 51 -3,-2.0 4,-1.7 2,-0.2 -1,-0.3 0.829 90.9 55.1 -72.8 -30.2 12.6 74.6 37.5 41 42 A I H <> S+ 0 0 0 -3,-2.2 4,-2.4 -4,-0.4 -2,-0.2 0.926 103.9 53.5 -66.6 -45.6 9.6 72.9 35.8 42 43 A N H X S+ 0 0 64 -4,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.880 107.0 51.7 -56.2 -41.5 11.9 70.1 34.7 43 44 A Y H X S+ 0 0 127 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.875 109.4 49.8 -62.0 -41.8 13.2 69.6 38.2 44 45 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 3,-0.5 0.937 112.9 46.7 -61.8 -46.2 9.6 69.3 39.4 45 46 A I H X S+ 0 0 16 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.935 111.7 50.0 -58.8 -53.4 8.7 66.7 36.8 46 47 A N H < S+ 0 0 115 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.586 122.0 32.4 -66.7 -18.2 11.8 64.6 37.3 47 48 A T H < S+ 0 0 37 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.632 133.4 21.6-110.4 -21.9 11.3 64.4 41.1 48 49 A R H < S+ 0 0 32 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.593 119.2 49.3-125.5 -13.0 7.6 64.5 41.5 49 50 A F S < S+ 0 0 4 -4,-2.2 2,-0.1 -5,-0.5 -1,-0.1 -0.270 78.3 132.6-122.3 47.2 5.9 63.3 38.4 50 51 A T S > >S- 0 0 42 -3,-0.1 5,-1.6 1,-0.1 3,-1.3 -0.457 71.2-105.5 -91.2 166.6 7.9 60.2 37.7 51 52 A L G > 5S+ 0 0 58 1,-0.3 3,-2.2 3,-0.2 21,-0.1 0.924 121.7 58.2 -57.3 -47.0 6.4 56.7 36.8 52 53 A E G 3 5S+ 0 0 156 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.697 107.7 48.0 -57.9 -18.9 7.1 55.5 40.3 53 54 A R G < 5S- 0 0 120 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.389 130.4 -93.2-101.0 -5.0 4.9 58.4 41.6 54 55 A G T < 5S+ 0 0 15 -3,-2.2 18,-2.9 -4,-0.3 2,-0.3 0.701 84.0 106.9 105.4 24.0 2.1 57.6 39.1 55 56 A Y E < -B 71 0A 15 -5,-1.6 2,-0.4 16,-0.2 -1,-0.3 -0.951 45.8-156.2-138.1 154.1 2.6 59.7 36.0 56 57 A I E -B 70 0A 36 14,-2.2 14,-2.3 -2,-0.3 2,-0.4 -0.970 22.5-165.3-122.6 140.7 3.7 59.5 32.5 57 58 A V E +B 69 0A 48 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.980 12.1 175.4-134.9 138.7 5.0 62.6 30.8 58 59 A E E +B 68 0A 79 10,-2.2 10,-3.6 -2,-0.4 2,-0.3 -0.940 5.9 179.5-135.5 160.5 5.7 63.7 27.3 59 60 A S E -B 67 0A 86 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.959 16.6-154.5-153.6 169.8 6.8 66.9 25.6 60 61 A K E -B 66 0A 83 6,-1.9 6,-1.7 -2,-0.3 2,-0.1 -0.969 17.2-143.7-150.6 131.2 7.6 68.6 22.4 61 62 A R + 0 0 233 -2,-0.3 -2,-0.0 4,-0.2 6,-0.0 -0.281 55.0 49.5 -88.8 179.1 9.9 71.6 21.8 62 63 A G S > S- 0 0 56 -2,-0.1 3,-2.6 3,-0.1 -2,-0.1 -0.058 100.9 -17.4 84.2 173.8 9.6 74.4 19.4 63 64 A G T 3 S+ 0 0 72 1,-0.3 3,-0.1 2,-0.0 -2,-0.0 -0.230 137.1 21.4 -50.4 133.4 6.7 76.8 18.5 64 65 A G T 3 S+ 0 0 36 1,-0.2 -1,-0.3 93,-0.0 -2,-0.1 0.547 96.7 152.6 81.9 5.1 3.5 75.3 19.8 65 66 A G < + 0 0 6 -3,-2.6 2,-0.3 -6,-0.0 -4,-0.2 0.001 13.0 157.3 -63.8 172.7 5.5 73.2 22.3 66 67 A Y E - B 0 60A 48 -6,-1.7 -6,-1.9 -40,-0.1 2,-0.4 -0.977 38.3-111.9-178.5 174.8 4.2 71.9 25.6 67 68 A I E -AB 25 59A 15 -42,-2.7 -42,-2.7 -2,-0.3 2,-0.5 -0.997 25.2-156.7-127.9 128.8 4.5 69.3 28.3 68 69 A R E -AB 24 58A 55 -10,-3.6 -10,-2.2 -2,-0.4 2,-0.4 -0.944 6.8-169.9-110.2 131.4 1.7 66.7 28.9 69 70 A I E -AB 23 57A 0 -46,-2.4 -46,-2.4 -2,-0.5 2,-0.4 -0.978 7.5-179.2-120.8 129.1 1.3 65.1 32.3 70 71 A X E -AB 22 56A 36 -14,-2.3 -14,-2.2 -2,-0.4 -48,-0.2 -0.998 24.3-128.0-133.9 132.4 -1.0 62.1 32.7 71 72 A K E - B 0 55A 41 -50,-2.3 83,-1.7 -2,-0.4 2,-0.4 -0.495 27.6-159.2 -77.3 143.7 -1.9 60.1 35.8 72 73 A V E -C 153 0B 9 -18,-2.9 2,-0.4 81,-0.2 81,-0.2 -0.953 9.2-149.9-126.9 149.4 -1.5 56.4 35.5 73 74 A K E -C 152 0B 109 79,-2.7 79,-2.1 -2,-0.4 2,-0.1 -0.903 24.5-118.4-111.8 141.5 -3.0 53.4 37.4 74 75 A T E -C 151 0B 63 -2,-0.4 77,-0.2 77,-0.2 2,-0.1 -0.496 31.3-125.7 -71.3 150.2 -1.2 50.1 37.8 75 76 A K > - 0 0 59 75,-2.3 3,-1.1 -2,-0.1 4,-0.2 -0.403 23.3-107.5 -87.4 171.5 -3.1 47.1 36.3 76 77 A S T > S+ 0 0 118 1,-0.2 3,-1.8 2,-0.2 4,-0.4 0.956 119.3 60.4 -67.0 -42.4 -3.9 44.0 38.4 77 78 A E T >> S+ 0 0 61 1,-0.3 4,-2.0 2,-0.2 3,-0.6 0.577 81.3 91.2 -60.2 -4.9 -1.3 41.9 36.6 78 79 A A H <> S+ 0 0 0 -3,-1.1 4,-2.3 1,-0.2 -1,-0.3 0.757 77.5 58.6 -63.4 -26.7 1.2 44.4 37.9 79 80 A Q H <> S+ 0 0 126 -3,-1.8 4,-1.1 -4,-0.2 -1,-0.2 0.844 107.3 48.2 -71.6 -30.8 1.9 42.4 41.0 80 81 A L H <> S+ 0 0 55 -3,-0.6 4,-1.6 -4,-0.4 -2,-0.2 0.899 111.7 48.2 -70.1 -44.4 2.8 39.5 38.7 81 82 A I H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 -2,-0.2 0.901 108.5 55.8 -65.5 -36.7 5.1 41.7 36.6 82 83 A D H X S+ 0 0 52 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.842 103.7 54.4 -63.3 -33.8 6.7 43.1 39.9 83 84 A Q H < S+ 0 0 111 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.928 116.1 37.3 -67.9 -41.5 7.5 39.6 40.9 84 85 A L H >X S+ 0 0 10 -4,-1.6 3,-2.9 1,-0.2 4,-0.7 0.911 108.9 62.8 -75.8 -41.3 9.4 38.9 37.8 85 86 A L H >< S+ 0 0 28 -4,-3.4 3,-1.1 1,-0.3 -2,-0.2 0.874 100.3 56.1 -48.9 -42.8 10.8 42.4 37.5 86 87 A E T 3< S+ 0 0 169 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.508 97.6 61.8 -71.8 -4.5 12.7 41.8 40.7 87 88 A L T <4 S+ 0 0 130 -3,-2.9 2,-0.5 -4,-0.1 -1,-0.2 0.658 87.0 86.5 -92.5 -17.9 14.4 38.6 39.3 88 89 A I << - 0 0 11 -3,-1.1 4,-0.1 -4,-0.7 9,-0.0 -0.704 62.2-170.5 -85.1 125.7 16.2 40.7 36.6 89 90 A D - 0 0 106 2,-0.6 -1,-0.1 -2,-0.5 3,-0.1 0.299 50.3 -67.0 -90.4-138.3 19.5 42.2 37.7 90 91 A H S S+ 0 0 106 1,-0.2 2,-0.3 49,-0.0 50,-0.2 0.540 121.4 29.5 -92.8 -8.9 21.7 44.7 35.9 91 92 A R - 0 0 118 48,-0.1 -2,-0.6 47,-0.1 2,-0.3 -0.994 64.9-179.0-148.7 149.7 22.4 42.1 33.3 92 93 A I - 0 0 12 43,-1.9 46,-0.2 -2,-0.3 47,-0.1 -0.955 20.1-129.7-156.0 135.5 20.6 39.1 31.7 93 94 A S > - 0 0 32 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.259 30.6-109.4 -76.6 167.3 21.4 36.5 29.0 94 95 A Q H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.930 118.8 46.4 -62.2 -47.3 19.1 35.5 26.1 95 96 A S H > S+ 0 0 65 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.909 113.1 50.8 -62.6 -41.4 18.2 32.1 27.5 96 97 A S H > S+ 0 0 50 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.790 110.2 48.6 -68.1 -27.9 17.5 33.7 30.9 97 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.811 103.5 60.9 -81.2 -30.9 15.3 36.3 29.4 98 99 A E H X S+ 0 0 78 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.803 102.3 54.1 -63.8 -26.3 13.4 33.7 27.5 99 100 A D H X S+ 0 0 94 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.894 107.9 47.3 -73.2 -42.6 12.5 32.2 30.9 100 101 A V H X S+ 0 0 12 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.955 113.8 49.8 -61.0 -49.7 11.0 35.4 32.2 101 102 A I H X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.870 110.6 47.2 -57.7 -44.9 9.1 35.8 28.9 102 103 A K H X S+ 0 0 114 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.885 109.2 55.7 -66.7 -37.0 7.6 32.3 28.9 103 104 A R H X S+ 0 0 107 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.925 106.8 49.3 -61.3 -42.7 6.7 32.7 32.6 104 105 A L H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 6,-0.9 0.859 111.2 51.4 -64.3 -33.0 4.7 35.9 31.6 105 106 A X H ><5S+ 0 0 66 -4,-1.5 3,-0.7 3,-0.2 -1,-0.2 0.818 108.5 49.0 -71.9 -34.7 3.1 33.8 28.9 106 107 A E H 3<5S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.942 109.9 52.4 -69.2 -45.9 2.1 31.1 31.2 107 108 A E T 3<5S- 0 0 34 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.439 113.2-125.2 -69.9 2.6 0.6 33.6 33.6 108 109 A K T < 5S+ 0 0 171 -3,-0.7 -3,-0.2 2,-0.1 -1,-0.1 0.714 74.3 126.1 61.9 22.8 -1.3 35.0 30.6 109 110 A V S - 0 0 52 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.305 33.3-104.6 -83.9 173.6 -0.1 36.8 24.2 112 113 A E H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.873 122.5 54.0 -67.1 -33.1 2.0 34.5 22.0 113 114 A R H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 111.0 44.5 -67.1 -40.5 2.4 37.2 19.4 114 115 A E H > S+ 0 0 9 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.962 113.0 52.1 -68.6 -47.0 3.8 39.6 22.1 115 116 A A H X S+ 0 0 4 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.929 112.1 45.6 -53.1 -48.0 6.0 36.9 23.5 116 117 A K H X S+ 0 0 82 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.909 112.3 51.6 -63.2 -41.0 7.4 36.2 20.0 117 118 A X H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.932 112.5 45.3 -62.5 -43.6 7.9 39.8 19.3 118 119 A X H X S+ 0 0 0 -4,-3.1 4,-0.5 1,-0.2 3,-0.4 0.873 112.3 50.0 -69.0 -39.2 9.8 40.3 22.6 119 120 A L H >< S+ 0 0 59 -4,-2.4 3,-0.9 -5,-0.3 4,-0.3 0.899 108.0 55.0 -64.6 -40.3 12.0 37.2 22.1 120 121 A S H 3< S+ 0 0 30 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.717 107.6 49.5 -63.3 -27.0 12.9 38.3 18.6 121 122 A V H 3< S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.542 110.1 50.3 -92.9 -8.6 14.1 41.7 19.8 122 123 A X S << S+ 0 0 2 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.308 78.5 127.1-113.1 10.6 16.3 40.3 22.5 123 124 A D >> - 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0 0 43 1,-0.1 4,-1.8 0, 0.0 5,-0.1 -0.736 64.6-135.2-108.7 154.6 -2.0 43.0 2.5 232 78 B E H > S+ 0 0 89 -2,-0.3 4,-2.1 1,-0.2 3,-0.3 0.954 111.6 55.8 -64.4 -47.2 -0.7 43.3 6.1 233 79 B A H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.845 107.4 47.5 -53.8 -39.3 2.3 41.3 4.8 234 80 B Q H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.856 107.0 56.0 -74.5 -33.5 3.0 43.8 2.1 235 81 B L H X S+ 0 0 2 -4,-1.8 4,-1.8 -3,-0.3 -2,-0.2 0.893 108.2 49.2 -62.7 -39.2 2.7 46.8 4.5 236 82 B I H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.910 108.0 53.7 -66.3 -41.6 5.3 45.2 6.7 237 83 B D H X S+ 0 0 61 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.866 106.3 52.8 -60.4 -37.8 7.6 44.7 3.7 238 84 B Q H X S+ 0 0 47 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.935 109.5 48.8 -63.7 -45.6 7.4 48.3 2.7 239 85 B L H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.832 105.1 57.0 -65.5 -34.5 8.4 49.4 6.2 240 86 B L H < S+ 0 0 32 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.938 107.1 50.3 -62.4 -42.6 11.4 47.0 6.3 241 87 B E H < S+ 0 0 162 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.784 110.9 50.0 -64.2 -28.3 12.7 48.7 3.1 242 88 B L H < S+ 0 0 55 -4,-1.1 2,-0.6 -5,-0.1 -1,-0.2 0.766 91.8 81.3 -82.9 -27.7 12.2 52.1 4.8 243 89 B I S < S- 0 0 4 -4,-1.9 4,-0.1 -3,-0.2 9,-0.0 -0.714 74.4-167.5 -77.6 125.1 14.1 51.2 8.0 244 90 B D - 0 0 116 2,-0.6 3,-0.1 -2,-0.6 -1,-0.1 0.421 44.7 -69.5 -88.0-136.2 17.6 51.7 6.9 245 91 B H S S+ 0 0 117 1,-0.3 2,-0.3 49,-0.0 49,-0.2 0.592 125.4 30.2 -94.5 -20.4 20.9 50.6 8.5 246 92 B R + 0 0 163 48,-0.1 -2,-0.6 47,-0.1 2,-0.3 -0.999 67.2 179.5-142.0 143.4 20.1 53.3 11.1 247 93 B I - 0 0 6 43,-2.1 46,-0.2 -2,-0.3 47,-0.2 -0.995 17.9-137.4-146.4 137.4 16.8 54.7 12.5 248 94 B S > - 0 0 47 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.288 30.3-108.0 -83.7 173.4 16.1 57.3 15.1 249 95 B Q H > S+ 0 0 27 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.957 118.6 49.1 -67.1 -48.8 13.5 57.2 17.8 250 96 B S H > S+ 0 0 81 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.902 113.3 46.5 -55.0 -47.4 11.2 59.8 16.1 251 97 B S H > S+ 0 0 30 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.831 112.5 50.8 -67.5 -32.6 11.4 58.0 12.8 252 98 B A H >X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.2 3,-0.5 0.901 102.8 60.2 -72.4 -39.7 10.7 54.7 14.6 253 99 B E H 3X S+ 0 0 68 -4,-2.9 4,-3.4 1,-0.3 -1,-0.2 0.858 102.9 52.2 -52.4 -42.0 7.7 56.1 16.3 254 100 B D H 3X S+ 0 0 24 -4,-1.4 4,-2.5 2,-0.2 -1,-0.3 0.819 106.2 52.2 -68.6 -30.8 6.1 56.9 13.0 255 101 B V H S+ 0 0 0 -4,-1.9 5,-3.3 -3,-0.2 6,-1.0 0.869 113.9 48.7 -66.8 -35.9 1.4 50.0 12.1 260 106 B X H ><5S+ 0 0 55 -4,-2.5 3,-1.0 3,-0.2 -2,-0.2 0.897 110.6 50.2 -69.8 -41.1 -1.1 50.9 14.9 261 107 B E H 3<5S+ 0 0 113 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.865 110.1 48.3 -65.0 -41.3 -3.3 53.0 12.5 262 108 B E T 3<5S- 0 0 61 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.342 117.5-120.0 -82.5 9.6 -3.5 50.3 9.9 263 109 B K T < 5S+ 0 0 180 -3,-1.0 -3,-0.2 -5,-0.1 -2,-0.1 0.810 75.6 130.2 56.7 36.1 -4.4 48.0 12.8 264 110 B V S - 0 0 50 -2,-0.2 4,-3.4 1,-0.1 5,-0.2 -0.585 27.2-109.3-100.1 167.3 -2.4 47.0 19.1 267 113 B E H > S+ 0 0 144 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.892 121.6 51.9 -58.5 -41.4 -2.0 50.0 21.3 268 114 B R H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.978 113.2 42.8 -59.5 -55.6 -0.7 47.8 24.1 269 115 B E H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.907 112.7 55.9 -58.0 -42.0 1.9 46.2 21.7 270 116 B A H X S+ 0 0 1 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.888 107.1 46.9 -57.3 -44.0 2.7 49.6 20.3 271 117 B K H X S+ 0 0 93 -4,-2.4 4,-1.7 -3,-0.3 -1,-0.2 0.845 110.5 53.7 -69.4 -31.8 3.6 51.1 23.7 272 118 B X H X S+ 0 0 0 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.892 112.7 43.8 -70.5 -38.1 5.7 48.1 24.5 273 119 B X H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 3,-0.4 0.933 112.2 51.3 -72.3 -46.4 7.7 48.6 21.3 274 120 B L H < S+ 0 0 54 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.858 109.5 54.1 -57.5 -33.6 8.0 52.3 21.7 275 121 B S H >< S+ 0 0 27 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.814 107.9 44.3 -72.8 -35.9 9.3 51.8 25.2 276 122 B V H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.804 109.6 59.5 -80.1 -26.9 12.1 49.4 24.4 277 123 B X T 3< S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.353 78.5 122.8 -81.6 3.8 13.1 51.6 21.5 278 124 B D X> - 0 0 50 -3,-0.7 4,-2.7 1,-0.1 3,-1.0 -0.459 66.1-133.0 -70.9 138.6 13.7 54.6 23.7 279 125 B R H 3> S+ 0 0 117 1,-0.3 4,-2.6 2,-0.2 -1,-0.1 0.835 107.3 57.2 -62.8 -32.1 17.2 56.1 23.6 280 126 B S H 34 S+ 0 0 80 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.812 113.1 43.7 -67.3 -24.7 17.5 56.2 27.4 281 127 B V H <4 S+ 0 0 20 -3,-1.0 -2,-0.2 -6,-0.1 -1,-0.2 0.920 115.8 42.7 -83.5 -50.7 16.9 52.5 27.3 282 128 B L H < S+ 0 0 0 -4,-2.7 2,-1.2 1,-0.2 -2,-0.2 0.962 84.9 173.1 -59.4 -51.3 19.1 51.5 24.3 283 129 B Y < + 0 0 161 -4,-2.6 -1,-0.2 -5,-0.2 6,-0.1 -0.117 24.6 122.0 76.4 -39.0 21.7 53.9 25.9 284 130 B I - 0 0 34 -2,-1.2 -1,-0.2 1,-0.1 5,-0.1 -0.241 67.1 -91.5 -62.5 149.3 24.8 53.2 23.7 285 131 B D >> - 0 0 129 1,-0.1 4,-1.9 3,-0.1 3,-0.5 0.040 57.9 -52.7 -58.4 161.8 26.3 56.1 21.8 286 132 B L T 34 S+ 0 0 99 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 -0.494 111.8 13.4 -75.6 147.2 25.7 57.4 18.3 287 133 B P T 3> S+ 0 0 61 0, 0.0 4,-1.1 0, 0.0 3,-0.4 -0.973 119.5 58.9 -99.9 7.6 25.6 56.1 15.7 288 134 B E H <> S+ 0 0 91 -3,-0.5 4,-2.5 1,-0.2 3,-0.4 0.876 100.3 64.9 -58.4 -37.0 25.6 52.5 16.9 289 135 B R H X S+ 0 0 43 -4,-1.9 4,-2.9 1,-0.3 -1,-0.2 0.915 102.9 43.9 -52.7 -47.8 22.4 53.2 18.8 290 136 B D H > S+ 0 0 19 -3,-0.4 -43,-2.1 1,-0.2 4,-1.4 0.745 112.1 53.6 -74.2 -18.9 20.4 53.9 15.6 291 137 B E H X S+ 0 0 51 -4,-1.1 4,-1.7 -3,-0.4 -1,-0.2 0.840 110.9 47.4 -79.6 -32.5 21.9 50.9 13.9 292 138 B L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.959 109.5 51.9 -68.6 -52.2 20.7 48.8 16.9 293 139 B R H X S+ 0 0 2 -4,-2.9 4,-3.4 1,-0.3 5,-0.3 0.885 109.1 52.4 -53.7 -40.7 17.2 50.3 16.9 294 140 B A H X S+ 0 0 1 -4,-1.4 4,-2.9 2,-0.2 -1,-0.3 0.904 108.7 47.7 -64.1 -43.8 17.0 49.4 13.2 295 141 B R H X S+ 0 0 64 -4,-1.7 4,-2.8 -50,-0.2 -2,-0.2 0.941 116.3 46.4 -62.0 -44.1 18.0 45.8 13.8 296 142 B X H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.953 114.6 44.3 -61.5 -52.5 15.4 45.7 16.6 297 143 B L H X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.2 5,-0.3 0.913 114.4 51.3 -61.2 -41.8 12.7 47.4 14.7 298 144 B K H X S+ 0 0 75 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.935 111.6 48.4 -60.9 -41.4 13.5 45.2 11.7 299 145 B A H X S+ 0 0 17 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.905 111.1 48.8 -64.8 -43.5 13.3 42.1 14.0 300 146 B X H X S+ 0 0 0 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.917 113.0 45.8 -65.8 -41.7 10.0 43.0 15.5 301 147 B L H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 3,-0.2 0.887 111.8 52.2 -68.4 -38.5 8.3 43.7 12.2 302 148 B T H >< S+ 0 0 71 -4,-2.0 3,-1.0 -5,-0.3 -1,-0.2 0.907 103.9 59.7 -61.7 -38.9 9.7 40.6 10.8 303 149 B S H >< S+ 0 0 14 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.869 102.6 50.2 -56.1 -41.1 8.3 38.8 13.8 304 150 B L H 3< S+ 0 0 18 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.703 86.7 95.3 -70.9 -20.0 4.7 39.9 12.9 305 151 B K T << S+ 0 0 85 -3,-1.0 2,-0.5 -4,-0.9 -1,-0.2 0.457 70.0 67.0 -54.0 -11.5 5.1 38.6 9.3 306 152 B Y < 0 0 129 -3,-0.7 -1,-0.1 -4,-0.2 -4,-0.0 -0.926 360.0 360.0-122.7 116.0 3.6 35.1 9.7 307 153 B K 0 0 242 -2,-0.5 -2,-0.0 0, 0.0 -3,-0.0 -0.625 360.0 360.0-122.6 360.0 -0.1 34.5 10.4