==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-11 3QNV . COMPND 2 MOLECULE: CARBOXYPEPTIDASE T; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR V.I.TIMOFEEV,V.K.AKPAROV,I.P.KURANOVA . 323 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 6.2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 27.2 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+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 1 0 1 0 1 2 1 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 D 0 0 88 0, 0.0 122,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 168.6 -55.2 71.6 2.3 2 2 A F - 0 0 13 7,-0.2 5,-0.1 1,-0.1 122,-0.1 -0.323 360.0 -93.1 -56.8 142.5 -55.6 71.2 6.1 3 3 A P > - 0 0 14 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.232 39.1-108.1 -52.9 152.2 -57.2 74.3 7.8 4 4 A S G > S+ 0 0 110 1,-0.3 3,-1.3 2,-0.2 4,-0.1 0.814 119.5 57.7 -56.6 -35.1 -54.5 76.7 9.1 5 5 A Y G 3 S+ 0 0 161 1,-0.3 286,-0.4 2,-0.1 -1,-0.3 0.684 112.3 41.6 -69.6 -19.0 -55.2 75.8 12.7 6 6 A D G X S+ 0 0 3 -3,-1.7 3,-1.8 284,-0.1 -1,-0.3 -0.059 73.3 128.6-115.4 30.4 -54.5 72.1 11.9 7 7 A S T < + 0 0 82 -3,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.604 56.4 79.4 -64.8 -12.3 -51.4 72.8 9.7 8 8 A G T 3 S+ 0 0 37 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.723 75.6 90.4 -66.9 -24.2 -49.4 70.3 11.7 9 9 A Y S < S- 0 0 7 -3,-1.8 2,-0.5 1,-0.1 -7,-0.2 -0.456 82.6-119.0 -72.1 146.8 -51.0 67.4 9.8 10 10 A H - 0 0 56 63,-0.2 -2,-0.1 -2,-0.1 66,-0.1 -0.781 19.8-152.7 -89.8 122.9 -49.3 66.2 6.6 11 11 A N > - 0 0 22 -2,-0.5 4,-2.6 -9,-0.1 5,-0.2 -0.263 44.0 -85.9 -74.5 178.6 -51.1 66.4 3.3 12 12 A Y H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 129.4 44.4 -57.0 -51.3 -50.2 63.8 0.6 13 13 A N H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 114.7 49.4 -61.1 -40.2 -47.2 65.8 -0.8 14 14 A E H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.859 110.0 52.0 -66.2 -37.9 -45.9 66.7 2.7 15 15 A M H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.939 110.7 47.2 -61.0 -49.4 -46.2 63.0 3.7 16 16 A V H X S+ 0 0 18 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.893 110.2 53.1 -59.5 -43.3 -44.2 61.9 0.6 17 17 A N H X S+ 0 0 100 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.867 110.3 47.8 -59.6 -39.1 -41.6 64.6 1.3 18 18 A K H X S+ 0 0 55 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.924 112.0 48.3 -68.0 -47.3 -41.2 63.3 4.9 19 19 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.926 113.2 49.3 -56.1 -47.4 -40.9 59.7 3.7 20 20 A N H X S+ 0 0 56 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.879 109.2 51.9 -60.7 -41.5 -38.3 60.8 1.1 21 21 A T H X S+ 0 0 75 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.931 113.7 42.8 -62.4 -47.7 -36.3 62.7 3.7 22 22 A V H X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.925 113.8 50.9 -65.6 -46.3 -36.1 59.8 6.1 23 23 A A H < S+ 0 0 18 -4,-2.7 7,-0.2 1,-0.2 -1,-0.2 0.870 113.3 45.8 -59.5 -39.7 -35.3 57.2 3.3 24 24 A S H < S+ 0 0 80 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.849 113.8 49.6 -70.7 -36.2 -32.5 59.5 2.0 25 25 A N H < S+ 0 0 105 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.719 118.6 37.3 -75.1 -24.4 -31.1 60.0 5.5 26 26 A Y >X + 0 0 77 -4,-1.8 4,-2.0 1,-0.1 3,-1.2 -0.438 64.7 152.0-127.5 59.9 -31.1 56.3 6.5 27 27 A P T 34 S+ 0 0 84 0, 0.0 26,-0.1 0, 0.0 -1,-0.1 0.732 70.3 62.0 -65.9 -23.9 -30.0 54.4 3.3 28 28 A N T 34 S+ 0 0 135 1,-0.2 25,-1.2 -3,-0.1 24,-0.6 0.781 122.1 18.5 -69.9 -27.4 -28.5 51.5 5.3 29 29 A I T <4 S+ 0 0 4 -3,-1.2 21,-2.2 22,-0.1 2,-0.4 0.497 114.0 69.6-124.7 -8.5 -31.8 50.6 6.9 30 30 A V E < +A 49 0A 7 -4,-2.0 2,-0.4 -7,-0.2 19,-0.2 -0.961 45.0 177.6-122.4 132.0 -34.6 52.2 4.8 31 31 A K E -A 48 0A 109 17,-2.2 17,-2.2 -2,-0.4 2,-0.3 -0.960 17.4-150.7-129.4 114.6 -35.9 51.3 1.3 32 32 A K E +A 47 0A 65 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.610 27.5 155.1 -79.0 140.5 -38.8 53.2 -0.2 33 33 A F E -A 46 0A 55 13,-2.6 13,-2.9 -2,-0.3 2,-0.4 -0.941 35.5-119.7-150.8 172.5 -41.1 51.4 -2.7 34 34 A S E -A 45 0A 38 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.968 3.5-159.8-120.0 139.5 -44.6 51.6 -4.0 35 35 A I E - 0 0 25 9,-2.3 2,-0.3 -2,-0.4 10,-0.1 0.440 68.0 -69.4 -92.1 -1.1 -47.2 48.8 -3.8 36 36 A G E - 0 0 26 8,-0.3 8,-2.9 149,-0.0 2,-0.4 -0.965 60.6 -58.5 147.7-162.3 -49.3 50.3 -6.6 37 37 A K E -A 43 0A 113 -2,-0.3 6,-0.2 6,-0.2 144,-0.1 -0.930 36.3-124.1-122.9 144.4 -51.5 53.3 -7.6 38 38 A S > - 0 0 6 4,-2.8 3,-1.4 -2,-0.4 74,-0.1 -0.188 46.1 -91.1 -67.4 172.5 -54.7 54.6 -6.2 39 39 A Y T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.887 130.6 46.6 -54.7 -42.6 -57.7 55.1 -8.5 40 40 A E T 3 S- 0 0 101 2,-0.0 -1,-0.3 1,-0.0 -2,-0.0 0.438 126.7 -99.7 -84.1 -0.9 -56.6 58.7 -9.3 41 41 A G S < S+ 0 0 38 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.602 70.5 146.4 97.5 14.7 -53.0 57.6 -9.9 42 42 A R - 0 0 68 1,-0.1 -4,-2.8 3,-0.0 -1,-0.3 -0.629 54.1-106.3 -80.6 140.5 -51.3 58.5 -6.6 43 43 A E E -A 37 0A 55 -2,-0.3 2,-1.2 -6,-0.2 -6,-0.2 -0.400 17.6-135.3 -67.5 139.3 -48.5 56.2 -5.5 44 44 A L E - 0 0 0 -8,-2.9 -9,-2.3 -2,-0.1 -8,-0.3 -0.733 36.0-153.3 -94.4 83.8 -49.2 53.8 -2.6 45 45 A W E +A 34 0A 46 -2,-1.2 64,-1.3 -11,-0.2 65,-0.5 -0.272 22.7 165.9 -71.5 143.1 -45.9 54.5 -0.8 46 46 A A E -AB 33 108A 0 -13,-2.9 -13,-2.6 62,-0.2 2,-0.3 -0.940 19.7-147.7-142.8 162.0 -44.2 52.1 1.6 47 47 A V E -AB 32 107A 0 60,-1.7 60,-1.9 -2,-0.3 2,-0.5 -0.972 8.0-145.7-127.4 152.1 -40.9 51.5 3.2 48 48 A K E -AB 31 106A 7 -17,-2.2 -17,-2.2 -2,-0.3 2,-0.5 -0.973 18.1-163.5-104.4 130.3 -39.0 48.4 4.3 49 49 A I E +AB 30 105A 0 56,-3.4 56,-2.9 -2,-0.5 2,-0.3 -0.978 35.3 112.3-117.7 120.6 -37.0 49.0 7.5 50 50 A S > - 0 0 0 -21,-2.2 3,-0.6 -2,-0.5 51,-0.2 -0.917 68.6 -90.9-177.2 148.9 -34.2 46.5 8.2 51 51 A D T 3 S+ 0 0 32 49,-2.0 -22,-0.1 52,-0.3 4,-0.1 -0.539 119.5 20.6 -69.5 143.7 -30.4 46.2 8.4 52 52 A N T > S- 0 0 95 -24,-0.6 3,-1.7 -2,-0.2 -1,-0.3 0.969 86.3-179.3 52.7 56.6 -29.1 45.1 5.0 53 53 A V T < + 0 0 12 -25,-1.2 -2,-0.1 -3,-0.6 -24,-0.1 0.722 67.0 64.6 -63.6 -25.7 -32.3 46.5 3.7 54 54 A G T 3 S+ 0 0 68 -26,-0.2 2,-0.4 -4,-0.1 -1,-0.3 0.549 98.2 62.5 -75.8 -9.6 -31.6 45.7 0.0 55 55 A T S < S- 0 0 67 -3,-1.7 2,-0.8 -4,-0.1 -1,-0.0 -0.961 79.5-129.4-123.1 138.2 -31.5 41.9 0.7 56 56 A D - 0 0 95 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.0 -0.755 27.4-179.2 -83.4 108.5 -34.3 39.6 1.9 57 57 A E - 0 0 91 -2,-0.8 -1,-0.1 -5,-0.1 -4,-0.0 -0.233 44.9-108.5-109.3 43.3 -32.8 37.7 4.8 58 58 A N + 0 0 127 1,-0.1 -2,-0.1 45,-0.0 3,-0.0 0.815 66.9 148.4 32.9 58.2 -35.6 35.4 5.8 59 59 A E - 0 0 24 1,-0.1 44,-0.1 254,-0.0 -1,-0.1 -0.751 58.6 -80.5-107.8 163.1 -36.4 37.3 9.1 60 60 A P - 0 0 29 0, 0.0 44,-2.2 0, 0.0 2,-0.3 -0.395 52.0-142.4 -59.6 140.3 -39.8 37.6 10.8 61 61 A E E -cd 104 197A 1 135,-2.2 137,-2.5 251,-0.2 138,-1.0 -0.829 17.1-170.7-112.8 146.8 -41.8 40.4 9.1 62 62 A V E -cd 105 199A 0 42,-1.6 44,-2.8 -2,-0.3 2,-0.4 -0.977 7.3-155.2-132.7 146.0 -44.2 43.0 10.6 63 63 A L E -cd 106 200A 0 136,-1.5 138,-2.2 -2,-0.3 2,-0.4 -0.976 8.7-174.2-127.2 136.7 -46.6 45.4 8.8 64 64 A Y E +cd 107 201A 0 42,-2.1 44,-3.0 -2,-0.4 2,-0.3 -0.992 13.9 175.8-122.9 136.4 -48.0 48.8 9.8 65 65 A T E -cd 108 202A 0 136,-2.1 138,-3.3 -2,-0.4 2,-0.3 -0.969 6.4-169.6-140.8 159.5 -50.6 50.6 7.7 66 66 A A E + d 0 203A 0 42,-1.4 45,-2.1 -2,-0.3 46,-0.2 -0.915 50.5 33.8-143.2 163.8 -52.8 53.7 7.9 67 67 A L + 0 0 2 136,-0.6 45,-0.8 5,-0.3 49,-0.2 0.866 43.8 150.0 55.5 52.0 -55.6 55.7 6.3 68 68 A H S S+ 0 0 0 135,-0.5 2,-0.5 43,-0.2 77,-0.4 0.849 77.6 52.6 -62.8 -36.7 -58.0 53.1 5.0 69 69 A H S > S- 0 0 4 1,-0.1 3,-1.6 3,-0.1 61,-0.2 -0.901 85.8-137.7-112.0 130.8 -60.6 55.8 5.8 70 70 A A T 3 S+ 0 0 0 59,-1.6 59,-0.2 -2,-0.5 -1,-0.1 0.781 97.7 50.0 -56.9 -41.0 -60.1 59.3 4.4 71 71 A R T 3 S+ 0 0 37 57,-1.3 2,-1.2 1,-0.2 -1,-0.3 0.501 86.0 88.5 -80.1 -5.2 -61.1 61.4 7.5 72 72 A E X + 0 0 3 -3,-1.6 3,-2.0 1,-0.2 4,-0.4 -0.338 47.4 154.4 -94.1 55.9 -58.8 59.5 9.9 73 73 A H T >> + 0 0 11 -2,-1.2 4,-1.2 214,-0.4 3,-1.0 0.706 58.2 72.7 -61.9 -27.1 -55.7 61.7 9.3 74 74 A L H 3> S+ 0 0 2 213,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.777 89.0 65.0 -58.0 -26.0 -54.1 61.0 12.7 75 75 A T H <> S+ 0 0 0 -3,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.846 96.6 53.3 -68.1 -35.1 -53.2 57.6 11.3 76 76 A V H <> S+ 0 0 4 -3,-1.0 4,-2.4 -4,-0.4 -1,-0.2 0.911 108.8 50.5 -63.6 -41.7 -50.9 59.0 8.7 77 77 A E H X S+ 0 0 10 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.861 108.9 52.5 -61.7 -36.6 -49.1 60.8 11.5 78 78 A M H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.885 108.6 49.2 -65.7 -41.3 -48.9 57.5 13.3 79 79 A A H X S+ 0 0 1 -4,-2.2 4,-1.8 30,-0.2 -2,-0.2 0.903 112.9 47.5 -64.7 -41.5 -47.4 55.8 10.3 80 80 A L H X S+ 0 0 6 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.860 109.9 52.8 -67.6 -37.3 -44.8 58.7 10.0 81 81 A Y H X S+ 0 0 52 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.899 107.1 52.7 -61.8 -42.7 -44.1 58.5 13.7 82 82 A T H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.890 106.8 52.9 -60.0 -41.9 -43.4 54.7 13.3 83 83 A L H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.924 112.9 43.9 -57.9 -47.2 -40.9 55.5 10.5 84 84 A D H X S+ 0 0 32 -4,-2.0 4,-2.4 1,-0.2 5,-0.5 0.857 108.1 60.2 -65.4 -38.2 -39.1 58.0 12.8 85 85 A L H X S+ 0 0 6 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.916 110.1 38.9 -58.0 -47.9 -39.2 55.6 15.8 86 86 A F H < S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.716 124.3 39.3 -77.7 -22.2 -37.2 52.8 14.0 87 87 A T H >< S+ 0 0 1 -4,-1.1 3,-1.1 -5,-0.2 -2,-0.2 0.904 112.2 47.7 -95.5 -51.3 -34.8 55.2 12.3 88 88 A Q H 3< S+ 0 0 100 -4,-2.4 -3,-0.1 1,-0.2 -2,-0.1 0.736 117.2 45.4 -65.5 -23.8 -33.9 58.0 14.7 89 89 A N T >X S+ 0 0 57 -4,-0.7 4,-3.0 -5,-0.5 3,-2.0 0.444 82.0 123.7 -99.3 -2.4 -33.3 55.5 17.5 90 90 A Y T <4 S+ 0 0 50 -3,-1.1 4,-0.1 1,-0.3 -3,-0.1 -0.417 86.3 5.1 -64.7 132.0 -31.2 53.0 15.4 91 91 A N T 34 S+ 0 0 117 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.579 128.4 67.7 63.5 15.0 -27.8 52.4 17.0 92 92 A L T <4 S+ 0 0 146 -3,-2.0 2,-0.5 1,-0.4 -2,-0.2 0.625 94.7 47.8-122.2 -47.0 -28.9 54.5 20.0 93 93 A D S X S- 0 0 62 -4,-3.0 4,-2.5 1,-0.1 -1,-0.4 -0.896 72.3-149.0 -99.8 126.3 -31.6 52.5 21.7 94 94 A S H > S+ 0 0 90 -2,-0.5 4,-2.3 2,-0.2 5,-0.1 0.873 94.7 48.4 -62.9 -41.5 -30.6 48.8 22.2 95 95 A R H > S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.937 115.1 43.2 -65.9 -48.5 -34.1 47.4 21.9 96 96 A I H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.909 113.9 52.2 -64.5 -42.4 -35.0 49.3 18.7 97 97 A T H X S+ 0 0 12 -4,-2.5 4,-2.2 -8,-0.3 -2,-0.2 0.919 108.9 50.2 -57.5 -47.1 -31.5 48.5 17.2 98 98 A N H X S+ 0 0 94 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.836 110.7 50.4 -60.9 -36.0 -32.0 44.8 17.9 99 99 A L H >X S+ 0 0 9 -4,-1.7 4,-1.2 2,-0.2 3,-0.8 0.941 111.2 45.9 -68.3 -49.1 -35.5 44.9 16.2 100 100 A V H 3< S+ 0 0 0 -4,-2.5 -49,-2.0 1,-0.2 3,-0.2 0.865 114.2 50.8 -61.5 -36.0 -34.2 46.6 13.0 101 101 A N H 3< S+ 0 0 40 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.652 122.5 30.2 -73.9 -16.9 -31.3 44.1 13.0 102 102 A N H << S+ 0 0 80 -3,-0.8 2,-0.3 -4,-0.7 -2,-0.2 0.282 114.3 55.7-131.5 8.0 -33.6 41.0 13.4 103 103 A R < - 0 0 28 -4,-1.2 2,-0.6 -3,-0.2 -52,-0.3 -0.946 66.7-133.1-134.6 158.2 -36.9 41.9 11.7 104 104 A E E - c 0 61A 0 -44,-2.2 -42,-1.6 -2,-0.3 2,-0.4 -0.951 32.8-161.7-110.8 108.0 -38.0 43.1 8.3 105 105 A I E -Bc 49 62A 0 -56,-2.9 -56,-3.4 -2,-0.6 2,-0.4 -0.762 7.3-168.2 -98.5 130.2 -40.4 46.0 9.0 106 106 A Y E -Bc 48 63A 8 -44,-2.8 -42,-2.1 -2,-0.4 2,-0.4 -0.949 4.8-173.1-118.1 138.9 -42.9 47.3 6.5 107 107 A I E -Bc 47 64A 0 -60,-1.9 -60,-1.7 -2,-0.4 2,-0.6 -0.993 10.0-167.6-127.9 125.3 -45.0 50.5 6.7 108 108 A V E -Bc 46 65A 0 -44,-3.0 -42,-1.4 -2,-0.4 3,-0.3 -0.948 14.6-167.2-106.2 108.3 -47.7 51.4 4.2 109 109 A F + 0 0 0 -64,-1.3 2,-0.2 -2,-0.6 -30,-0.2 0.780 66.2 8.0 -72.7 -32.8 -48.3 55.0 5.0 110 110 A N + 0 0 10 -65,-0.5 -1,-0.2 1,-0.1 -43,-0.2 -0.760 51.0 175.9-159.9 96.1 -51.6 55.9 3.2 111 111 A I S S+ 0 0 0 -45,-2.1 -43,-0.2 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-65.3 34.1 19.8 221 221 A V S S- 0 0 45 4,-0.0 -1,-0.3 8,-0.0 6,-0.1 -0.740 83.6-178.1-129.3 81.1 -63.6 31.1 18.3 222 222 A P > - 0 0 13 0, 0.0 3,-2.0 0, 0.0 -5,-0.0 -0.128 48.1 -87.4 -73.7 176.9 -65.3 30.0 15.0 223 223 A S T 3 S+ 0 0 127 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.752 127.4 56.4 -57.8 -27.2 -64.3 27.0 12.9 224 224 A D T 3 S+ 0 0 22 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.071 101.8 65.6 -96.9 23.2 -61.8 29.2 11.0 225 225 A M S < S- 0 0 9 -3,-2.0 2,-0.2 -4,-0.1 42,-0.0 -0.993 75.0-137.4-137.2 139.9 -59.9 30.2 14.2 226 226 A T > - 0 0 73 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.644 21.2-123.0 -90.3 154.5 -57.9 28.0 16.5 227 227 A Q H > S+ 0 0 102 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 115.1 55.9 -61.1 -39.3 -58.1 28.3 20.3 228 228 A D H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 107.9 47.9 -55.3 -47.6 -54.3 28.8 20.3 229 229 A D H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.896 110.5 50.9 -64.2 -41.9 -54.7 31.7 17.9 230 230 A F H X S+ 0 0 23 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.928 109.1 51.8 -58.1 -46.5 -57.5 33.2 20.0 231 231 A N H X S+ 0 0 57 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.888 110.3 48.6 -58.8 -41.6 -55.4 33.0 23.1 232 232 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.945 112.3 48.2 -62.6 -50.0 -52.5 34.8 21.3 233 233 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.937 114.7 45.5 -53.6 -51.8 -54.9 37.6 20.1 234 234 A K H X S+ 0 0 87 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.906 116.0 45.7 -59.5 -46.4 -56.4 38.0 23.6 235 235 A T H X S+ 0 0 49 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.915 114.8 46.4 -66.9 -46.9 -53.0 38.0 25.3 236 236 A M H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.918 113.1 49.9 -62.0 -45.1 -51.3 40.4 22.8 237 237 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.910 112.5 46.8 -60.1 -44.5 -54.3 42.8 22.9 238 238 A N H X S+ 0 0 76 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.843 112.5 50.0 -66.8 -36.2 -54.3 42.8 26.7 239 239 A T H X S+ 0 0 57 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.879 112.9 46.2 -69.8 -39.9 -50.5 43.4 26.9 240 240 A M H >X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 3,-1.0 0.880 107.2 57.7 -70.3 -37.6 -50.6 46.2 24.4 241 241 A A H 3X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.3 5,-0.2 0.857 97.7 62.8 -59.1 -37.2 -53.6 47.8 26.2 242 242 A Q H 3< S+ 0 0 169 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.835 108.2 42.9 -52.8 -35.3 -51.4 47.9 29.4 243 243 A T H << S+ 0 0 62 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.732 127.0 24.5 -90.1 -26.5 -49.0 50.3 27.5 244 244 A N H < S- 0 0 7 -4,-1.3 -2,-0.2 -3,-0.2 -3,-0.2 0.502 93.7-123.1-119.4 -8.5 -51.5 52.7 25.7 245 245 A G < + 0 0 54 -4,-2.6 -4,-0.1 -5,-0.2 -3,-0.1 0.654 62.0 141.1 72.6 15.8 -54.6 52.6 27.8 246 246 A Y - 0 0 7 -5,-0.2 -37,-0.3 -6,-0.2 -1,-0.2 -0.372 58.5-104.4 -76.9 166.4 -56.8 51.5 24.9 247 247 A T E -f 209 0A 74 -39,-2.5 -37,-2.6 -40,-0.1 2,-0.4 -0.865 28.5-141.1 -97.2 121.2 -59.6 49.0 25.3 248 248 A P E +f 210 0A 38 0, 0.0 2,-0.3 0, 0.0 -37,-0.2 -0.701 36.9 152.1 -84.3 133.8 -58.9 45.5 24.0 249 249 A Q E -f 211 0A 47 -39,-2.6 -37,-1.4 -2,-0.4 2,-0.2 -0.991 49.4-102.6-160.8 143.7 -61.9 43.9 22.3 250 250 A Q E >> -f 212 0A 1 -2,-0.3 3,-1.7 -39,-0.2 4,-0.6 -0.567 42.0-117.5 -71.6 141.5 -62.8 41.3 19.6 251 251 A A H >> S+ 0 0 11 -39,-3.3 4,-1.3 1,-0.3 3,-1.0 0.845 111.5 51.8 -50.1 -44.2 -63.9 43.2 16.5 252 252 A S H 34 S+ 0 0 0 -38,-1.1 -1,-0.3 -35,-0.3 -37,-0.1 0.614 91.8 74.7 -74.1 -13.9 -67.5 41.8 16.5 253 253 A D H <4 S+ 0 0 90 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.803 103.6 41.7 -66.4 -30.1 -68.1 42.8 20.1 254 254 A L H << S- 0 0 70 -3,-1.0 2,-0.3 -4,-0.6 -2,-0.2 0.965 137.8 -48.1 -71.4 -68.2 -68.4 46.4 18.8 255 255 A Y < - 0 0 118 -4,-1.3 -1,-0.3 -97,-0.0 2,-0.2 -0.952 65.2 -82.0-163.4 159.8 -70.4 45.5 15.7 256 256 A I + 0 0 29 -2,-0.3 2,-0.3 -3,-0.1 -40,-0.2 -0.481 45.8 175.4 -69.2 133.4 -70.3 43.0 12.8 257 257 A T - 0 0 12 -42,-1.5 2,-0.3 -2,-0.2 -98,-0.2 -0.991 10.4-166.5-131.8 145.5 -68.1 43.8 9.9 258 258 A D + 0 0 0 -100,-1.0 -105,-0.1 -2,-0.3 -106,-0.1 -0.972 69.2 25.7-126.5 150.2 -67.3 41.7 6.8 259 259 A G S S+ 0 0 0 -108,-0.8 -110,-2.9 -2,-0.3 -1,-0.1 0.655 80.3 147.0 77.9 18.0 -64.5 42.3 4.3 260 260 A D > - 0 0 4 -113,-0.2 4,-1.5 -109,-0.2 -109,-0.2 -0.398 59.9-109.7 -81.1 165.7 -62.1 44.2 6.6 261 261 A M H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.873 114.2 50.1 -61.1 -43.0 -58.3 44.0 6.4 262 262 A T H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.858 106.4 54.3 -72.4 -35.4 -57.8 42.0 9.6 263 263 A D H > S+ 0 0 0 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.892 116.1 41.5 -59.8 -39.7 -60.4 39.3 8.7 264 264 A W H X>S+ 0 0 8 -4,-1.5 4,-2.8 3,-0.2 5,-0.7 0.930 113.7 50.8 -72.6 -47.2 -58.5 38.8 5.5 265 265 A A H X5S+ 0 0 0 -4,-3.2 6,-2.0 1,-0.2 4,-1.0 0.905 123.7 31.1 -59.3 -43.8 -55.0 39.0 7.0 266 266 A Y H X5S+ 0 0 0 -4,-2.8 4,-2.0 4,-0.3 -2,-0.2 0.919 121.8 49.2 -78.9 -46.8 -55.9 36.4 9.6 267 267 A G H <5S+ 0 0 10 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.900 124.8 27.6 -60.1 -43.8 -58.4 34.4 7.6 268 268 A Q H <5S+ 0 0 109 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.807 140.4 17.4 -89.8 -32.9 -56.2 34.0 4.5 269 269 A H H < S- 0 0 52 2,-0.2 4,-1.7 4,-0.1 -75,-0.1 -0.785 91.8 -89.4-137.8 174.5 -65.9 60.3 21.5 283 283 A Y T 4 S+ 0 0 167 -2,-0.2 4,-0.2 2,-0.2 -1,-0.0 0.652 95.4 92.7 -63.1 -23.3 -67.4 62.4 18.7 284 284 A N T 4 S- 0 0 127 1,-0.3 -2,-0.2 2,-0.1 -3,-0.2 -0.974 114.0 -0.3-110.5 113.5 -65.9 65.6 20.0 285 285 A P T >4 S+ 0 0 49 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 -0.988 103.3 156.5 -84.5 1.4 -63.2 66.0 18.6 286 286 A G T 3< S- 0 0 3 -4,-1.7 -80,-0.1 1,-0.3 -2,-0.1 -0.227 73.5 -2.6 56.1-126.1 -64.0 62.7 16.7 287 287 A F T 3 S+ 0 0 47 1,-0.2 -214,-0.4 -4,-0.2 -213,-0.3 0.587 132.8 58.0 -75.8 -9.6 -62.2 62.4 13.4 288 288 A Y < + 0 0 42 -3,-2.0 -1,-0.2 -216,-0.1 -2,-0.1 -0.521 64.4 173.2-126.2 66.0 -60.6 65.8 13.7 289 289 A P - 0 0 2 0, 0.0 5,-0.1 0, 0.0 -5,-0.0 -0.436 45.9 -94.7 -69.3 146.8 -58.5 66.2 16.8 290 290 A P > - 0 0 47 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.298 33.4-114.9 -60.3 146.9 -56.5 69.5 16.9 291 291 A D G > S+ 0 0 44 -286,-0.4 3,-1.3 1,-0.3 4,-0.4 0.668 107.1 79.0 -60.8 -16.3 -52.9 69.2 15.6 292 292 A E G 3 S+ 0 0 162 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.647 90.9 53.1 -66.1 -16.0 -51.5 69.9 19.1 293 293 A V G <> S+ 0 0 8 -3,-2.0 4,-3.0 1,-0.1 5,-0.3 0.521 80.9 95.1 -94.5 -7.2 -52.3 66.3 20.2 294 294 A I H <> S+ 0 0 24 -3,-1.3 4,-1.5 -4,-0.2 5,-0.3 0.904 86.0 44.1 -53.1 -53.5 -50.4 64.6 17.3 295 295 A G H > S+ 0 0 48 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.917 118.0 45.3 -59.1 -45.7 -47.1 64.1 19.1 296 296 A R H > S+ 0 0 132 -4,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.924 115.3 44.3 -63.8 -48.6 -48.8 62.8 22.3 297 297 A E H < S+ 0 0 7 -4,-3.0 -18,-0.2 2,-0.2 -1,-0.2 0.603 116.5 45.5 -82.9 -13.1 -51.3 60.5 20.7 298 298 A T H >< S+ 0 0 5 -4,-1.5 3,-1.9 -5,-0.3 -2,-0.2 0.883 113.9 46.6 -86.8 -52.4 -48.8 58.9 18.2 299 299 A S H >< S+ 0 0 53 -4,-2.0 3,-2.0 -5,-0.3 4,-0.3 0.732 97.1 76.2 -61.6 -23.3 -46.0 58.4 20.7 300 300 A R T 3< S+ 0 0 68 -4,-1.3 3,-0.3 1,-0.3 -1,-0.3 0.809 95.7 49.3 -52.3 -33.0 -48.7 56.9 23.1 301 301 A N T <> S+ 0 0 0 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.280 78.3 109.3 -93.7 9.2 -48.5 53.8 20.9 302 302 A K H <> S+ 0 0 86 -3,-2.0 4,-2.1 1,-0.2 5,-0.2 0.913 80.5 43.3 -51.0 -54.2 -44.7 53.5 20.9 303 303 A E H > S+ 0 0 80 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.862 112.8 52.4 -66.2 -37.0 -44.6 50.4 23.1 304 304 A A H > S+ 0 0 0 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 108.9 51.0 -63.2 -42.5 -47.4 48.7 21.3 305 305 A V H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.921 113.3 44.4 -59.8 -45.9 -45.6 49.3 17.9 306 306 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.863 109.7 58.0 -68.0 -35.6 -42.4 47.7 19.3 307 307 A Y H X S+ 0 0 25 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.921 106.2 45.8 -60.7 -49.3 -44.3 44.8 20.9 308 308 A V H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.855 113.2 51.6 -65.1 -34.4 -45.9 43.6 17.6 309 309 A A H >< S+ 0 0 0 -4,-1.5 3,-0.6 -5,-0.2 4,-0.3 0.925 112.8 45.7 -63.4 -45.5 -42.4 44.0 16.0 310 310 A E H >< S+ 0 0 66 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.929 111.7 50.1 -62.1 -47.5 -40.9 41.9 18.8 311 311 A K H 3< S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.511 83.6 88.9 -78.7 -3.5 -43.6 39.2 18.7 312 312 A A T << S+ 0 0 1 -4,-0.6 2,-1.1 -3,-0.6 -1,-0.3 0.799 77.2 74.6 -57.8 -29.8 -43.3 38.7 14.9 313 313 A D S < S- 0 0 95 -3,-1.4 -1,-0.1 -4,-0.3 4,-0.1 -0.794 129.6 -27.3 -85.0 100.5 -40.7 36.2 16.0 314 314 A a > - 0 0 23 -2,-1.1 3,-1.8 1,-0.1 -1,-0.3 0.985 63.9-166.2 54.1 79.8 -43.0 33.4 17.2 315 315 A P G > S+ 0 0 4 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.780 84.2 72.6 -60.7 -25.3 -46.2 35.1 18.4 316 316 A Y G > >S+ 0 0 60 1,-0.3 5,-2.3 2,-0.2 3,-1.1 0.568 74.9 81.6 -68.9 -9.4 -47.1 31.8 20.1 317 317 A S G X 5S+ 0 0 53 -3,-1.8 3,-0.8 1,-0.2 -1,-0.3 0.783 79.1 68.0 -62.7 -28.1 -44.4 32.6 22.7 318 318 A V G < 5S+ 0 0 31 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.692 104.4 41.5 -68.9 -20.0 -46.9 34.8 24.5 319 319 A I G < 5S- 0 0 55 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.435 126.3-100.9-102.1 -4.1 -49.1 31.8 25.4 320 320 A G T < 5S+ 0 0 72 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.502 79.5 132.6 99.3 9.2 -46.0 29.7 26.3 321 321 A K < - 0 0 101 -5,-2.3 -1,-0.3 -6,-0.1 2,-0.2 -0.653 49.1-130.1 -98.8 148.8 -45.8 27.7 23.0 322 322 A S 0 0 113 -2,-0.3 -1,-0.0 -5,-0.1 -8,-0.0 -0.561 360.0 360.0 -94.4 158.8 -42.8 27.1 20.8 323 323 A a 0 0 110 -2,-0.2 -1,-0.0 -9,-0.1 -10,-0.0 -0.927 360.0 360.0-112.5 360.0 -42.5 27.6 17.0