==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-07 2PJ1 . COMPND 2 MOLECULE: CARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.ADLER,M.WHITLOW . 914 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 629 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 5.5 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 . 1 0.1 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 . 60 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 3 0 0 3 0 6 0 0 3 0 3 0 0 3 0 3 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 3 3 3 3 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 6 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 6 A G 0 0 114 0, 0.0 2,-0.2 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 158.3 6.6 8.8 57.2 2 7 A H - 0 0 55 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.548 360.0-178.5 -80.8 142.6 9.8 9.1 55.1 3 8 A S > - 0 0 41 3,-0.2 3,-0.9 -2,-0.2 5,-0.0 -0.992 26.6-149.8-138.5 138.4 10.9 12.4 53.6 4 9 A Y T 3 S+ 0 0 42 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.628 101.5 52.2 -77.0 -12.6 14.0 13.0 51.5 5 10 A E T 3 S+ 0 0 97 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.145 106.0 59.4-112.2 18.7 14.2 16.6 52.8 6 11 A K S < S- 0 0 101 -3,-0.9 2,-0.4 276,-0.1 -3,-0.2 -0.962 91.7-101.9-133.5 158.2 14.1 15.6 56.5 7 12 A Y - 0 0 17 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.681 42.4-150.9 -77.3 131.4 16.3 13.5 58.7 8 13 A N - 0 0 11 -2,-0.4 -6,-0.1 60,-0.2 63,-0.0 -0.833 9.3-122.0-109.8 140.5 14.6 10.1 59.2 9 14 A N > - 0 0 50 -2,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.245 36.2-100.6 -74.6 169.6 15.0 7.8 62.2 10 15 A W H > S+ 0 0 12 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.898 121.3 56.8 -62.4 -41.6 16.2 4.3 61.6 11 16 A E H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 112.9 43.8 -54.5 -41.0 12.7 2.7 61.8 12 17 A T H > S+ 0 0 28 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.906 113.0 49.2 -72.3 -43.7 11.8 5.0 58.9 13 18 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.917 111.6 50.9 -62.3 -42.0 15.0 4.5 56.9 14 19 A E H X S+ 0 0 57 -4,-3.5 4,-1.6 2,-0.2 -2,-0.2 0.944 110.5 47.4 -59.4 -48.4 14.6 0.7 57.3 15 20 A A H X S+ 0 0 59 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.879 110.8 54.8 -62.1 -35.9 10.9 0.9 56.1 16 21 A W H X S+ 0 0 12 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.894 101.9 55.2 -62.7 -42.3 12.2 3.1 53.2 17 22 A T H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.880 113.1 43.5 -60.4 -35.8 14.8 0.5 52.1 18 23 A K H X S+ 0 0 113 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.924 116.9 45.4 -73.2 -45.3 12.0 -2.0 51.8 19 24 A Q H X S+ 0 0 102 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.911 112.2 48.9 -67.0 -44.0 9.5 0.3 50.1 20 25 A V H X S+ 0 0 4 -4,-3.2 4,-0.6 1,-0.2 -1,-0.2 0.864 114.9 46.4 -69.6 -32.6 11.9 1.8 47.6 21 26 A T H >< S+ 0 0 21 -4,-1.1 3,-0.8 -5,-0.4 7,-0.3 0.926 111.3 51.0 -70.7 -46.1 13.1 -1.7 46.6 22 27 A S H 3< S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.851 113.5 46.3 -58.1 -35.7 9.5 -3.0 46.4 23 28 A E H 3< S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.588 123.3 32.9 -86.0 -12.0 8.6 -0.1 44.1 24 29 A N XX + 0 0 35 -3,-0.8 3,-2.3 -4,-0.6 4,-2.1 -0.286 63.7 149.4-140.1 52.0 11.7 -0.4 41.9 25 30 A P T 34 S+ 0 0 90 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.678 74.2 61.8 -63.6 -16.1 12.6 -4.1 41.7 26 31 A D T 34 S+ 0 0 90 1,-0.1 3,-0.1 -3,-0.1 -5,-0.0 0.393 119.3 24.9 -89.9 3.4 14.0 -3.5 38.2 27 32 A L T <4 S+ 0 0 8 -3,-2.3 21,-2.8 1,-0.3 2,-0.4 0.446 120.9 48.8-137.0 -14.7 16.6 -1.0 39.5 28 33 A I E < -A 47 0A 3 -4,-2.1 2,-0.4 -7,-0.3 -1,-0.3 -0.993 47.5-177.7-138.2 132.7 17.1 -2.0 43.2 29 34 A S E -A 46 0A 69 17,-1.7 17,-3.0 -2,-0.4 2,-0.5 -0.984 17.9-149.8-119.6 141.2 17.8 -5.2 45.1 30 35 A R E +A 45 0A 72 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.931 21.1 165.2-112.0 130.2 18.0 -5.2 48.9 31 36 A T E -A 44 0A 76 13,-2.3 13,-3.0 -2,-0.5 2,-0.5 -0.935 32.7-127.6-130.1 159.7 20.2 -7.6 50.9 32 37 A A E -A 43 0A 59 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.935 15.4-169.4-102.9 132.8 21.4 -7.6 54.5 33 38 A I E - 0 0 34 9,-2.7 2,-0.3 -2,-0.5 10,-0.1 0.320 62.8 -42.5-105.1 7.9 25.1 -8.0 54.9 34 39 A G E - 0 0 27 8,-0.4 8,-2.6 5,-0.0 2,-0.3 -0.913 61.7 -85.0 157.8 179.4 25.1 -8.5 58.6 35 40 A T E -A 41 0A 54 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.873 35.1-122.5-114.3 153.0 23.7 -7.4 62.0 36 41 A T > - 0 0 0 4,-2.3 3,-1.8 -2,-0.3 71,-0.1 -0.266 40.6 -92.1 -80.4 175.3 24.9 -4.6 64.2 37 42 A F T 3 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.885 130.5 45.4 -55.8 -38.2 26.0 -5.1 67.8 38 43 A L T 3 S- 0 0 102 88,-0.0 -1,-0.3 2,-0.0 88,-0.0 0.236 125.3-100.8 -95.7 12.6 22.5 -4.4 68.9 39 44 A G < + 0 0 47 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.688 69.9 146.1 85.8 19.2 20.9 -6.6 66.3 40 45 A N - 0 0 39 1,-0.1 -4,-2.3 2,-0.0 2,-0.5 -0.587 53.8-104.9 -86.2 155.7 19.8 -4.1 63.7 41 46 A N E -A 35 0A 62 -6,-0.2 2,-1.2 -2,-0.2 -6,-0.2 -0.696 20.5-143.7 -90.5 122.8 20.0 -5.1 60.0 42 47 A I E - 0 0 0 -8,-2.6 -9,-2.7 -2,-0.5 -8,-0.4 -0.693 26.5-158.5 -86.4 96.6 22.8 -3.7 57.9 43 48 A Y E -A 32 0A 16 -2,-1.2 2,-0.4 -11,-0.2 62,-0.4 -0.481 12.9-166.8 -81.3 144.3 21.1 -3.2 54.6 44 49 A L E -A 31 0A 1 -13,-3.0 -13,-2.3 -2,-0.2 2,-0.6 -1.000 8.4-153.1-126.2 130.5 22.9 -2.9 51.2 45 50 A L E -AB 30 102A 0 57,-3.2 57,-3.2 -2,-0.4 2,-0.9 -0.913 3.5-153.1-106.2 123.8 21.0 -1.7 48.2 46 51 A K E -AB 29 101A 81 -17,-3.0 -17,-1.7 -2,-0.6 2,-0.5 -0.858 19.4-168.3 -94.2 107.2 22.3 -2.8 44.8 47 52 A V E +AB 28 100A 0 53,-3.3 53,-3.0 -2,-0.9 2,-0.2 -0.864 37.0 76.7-104.6 123.0 21.2 0.0 42.5 48 53 A G S S- 0 0 4 -21,-2.8 48,-0.2 -2,-0.5 51,-0.1 -0.836 86.3 -68.0 157.2 163.4 21.4 -0.6 38.7 49 54 A K - 0 0 55 46,-2.5 -22,-0.1 49,-0.4 -23,-0.1 -0.711 66.1-115.2 -79.2 114.3 19.8 -2.3 35.7 50 55 A P + 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.141 55.3 132.8 -61.7 145.8 20.4 -5.9 36.5 51 56 A G - 0 0 40 3,-0.0 3,-0.4 46,-0.0 2,-0.2 -0.965 53.4 -66.0-175.9 169.6 22.7 -8.0 34.2 52 57 A P S S- 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.473 100.7 -7.8 -75.6 139.4 25.6 -10.5 34.2 53 58 A N S S+ 0 0 167 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.871 80.6 172.8 48.3 59.0 29.1 -9.7 35.3 54 59 A K - 0 0 26 -3,-0.4 -1,-0.2 1,-0.1 44,-0.2 -0.753 31.3-121.6 -96.6 144.6 28.8 -5.9 35.9 55 60 A P - 0 0 36 0, 0.0 44,-2.0 0, 0.0 2,-0.3 -0.267 35.9-150.2 -67.9 169.7 31.5 -3.7 37.5 56 61 A A E -cd 99 185A 1 128,-2.7 130,-3.1 42,-0.2 131,-0.7 -0.973 21.2-147.3-146.7 155.4 30.5 -1.8 40.6 57 62 A I E -cd 100 187A 2 42,-2.6 44,-3.2 -2,-0.3 2,-0.5 -0.991 22.2-148.0-118.8 135.7 31.0 1.3 42.7 58 63 A F E +cd 101 188A 0 129,-2.8 131,-3.1 -2,-0.4 2,-0.4 -0.908 19.5 174.3-107.2 127.9 30.6 1.0 46.5 59 64 A M E -cd 102 189A 2 42,-3.2 44,-2.8 -2,-0.5 2,-0.3 -0.997 5.0-174.6-132.1 130.5 29.3 3.9 48.5 60 65 A D E -cd 103 190A 0 129,-2.1 131,-2.4 -2,-0.4 2,-0.3 -0.897 2.8-170.8-119.4 156.2 28.4 4.0 52.2 61 66 A a E + d 0 191A 0 42,-2.4 45,-1.7 -2,-0.3 46,-0.2 -0.890 60.0 41.9-129.7 164.5 26.9 6.5 54.5 62 67 A G + 0 0 0 129,-0.5 45,-2.2 -2,-0.3 49,-0.2 0.764 53.1 142.2 73.2 26.9 26.4 6.8 58.3 63 68 A F S S+ 0 0 0 128,-0.5 2,-0.5 43,-0.2 47,-0.1 0.938 75.8 46.2 -54.0 -47.5 29.8 5.6 59.5 64 69 A H S > S- 0 0 4 3,-0.1 3,-1.6 1,-0.1 -1,-0.2 -0.890 83.7-140.8-111.4 125.7 29.5 8.2 62.2 65 70 A A T 3 S+ 0 0 0 57,-1.4 57,-0.2 -2,-0.5 -1,-0.1 0.795 95.2 47.8 -58.4 -40.9 26.2 8.6 64.1 66 71 A R T 3 S+ 0 0 35 55,-0.9 2,-2.0 1,-0.2 -1,-0.3 0.538 84.0 93.3 -82.1 -7.2 25.9 12.3 64.4 67 72 A E X> + 0 0 5 -3,-1.6 3,-1.9 1,-0.2 4,-0.8 -0.435 50.4 166.5 -87.1 67.4 26.8 13.1 60.8 68 73 A W H 3> + 0 0 26 -2,-2.0 4,-1.9 207,-0.4 -1,-0.2 0.731 64.9 64.0 -62.5 -29.0 23.1 13.1 59.8 69 74 A I H 3> S+ 0 0 1 206,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.793 97.4 60.6 -66.2 -25.7 23.6 14.7 56.3 70 75 A S H <> S+ 0 0 0 -3,-1.9 4,-1.6 2,-0.2 3,-0.4 0.974 105.6 44.4 -62.1 -55.4 25.6 11.6 55.4 71 76 A H H X S+ 0 0 0 -4,-0.8 4,-1.4 1,-0.2 -2,-0.2 0.896 112.1 55.0 -54.8 -41.4 22.6 9.3 55.9 72 77 A A H X S+ 0 0 6 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.858 103.4 55.8 -63.5 -35.4 20.4 11.8 54.1 73 78 A F H X S+ 0 0 0 -4,-1.7 4,-2.8 -3,-0.4 -1,-0.2 0.919 101.5 53.7 -67.4 -43.3 22.6 11.8 51.1 74 79 A a H X S+ 0 0 0 -4,-1.6 4,-1.7 30,-0.2 -1,-0.2 0.897 111.8 47.1 -60.3 -37.3 22.5 8.0 50.4 75 80 A Q H X S+ 0 0 4 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.928 111.6 50.2 -67.0 -44.1 18.7 8.2 50.4 76 81 A W H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.899 108.4 54.0 -59.4 -42.2 18.7 11.2 48.1 77 82 A F H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.895 105.8 52.3 -60.6 -43.3 21.1 9.4 45.7 78 83 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.916 109.0 48.9 -64.4 -42.7 18.8 6.4 45.4 79 84 A R H X S+ 0 0 67 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.919 109.9 51.9 -62.9 -42.2 15.8 8.4 44.5 80 85 A E H X S+ 0 0 41 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.930 110.0 50.6 -58.7 -43.8 17.8 10.3 41.9 81 86 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.953 115.2 40.3 -58.4 -52.4 18.9 7.0 40.4 82 87 A V H < S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 118.2 46.3 -71.6 -32.9 15.4 5.5 40.2 83 88 A L H < S+ 0 0 109 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.845 118.6 38.4 -78.8 -33.2 13.6 8.7 39.0 84 89 A T H >X S+ 0 0 32 -4,-2.2 4,-2.5 -5,-0.3 3,-2.3 0.567 82.1 118.6 -98.3 -9.1 16.1 9.7 36.3 85 90 A Y T 3< S+ 0 0 52 -4,-1.3 4,-0.1 1,-0.3 7,-0.0 -0.382 85.5 16.4 -58.6 128.6 16.9 6.3 34.9 86 91 A G T 34 S+ 0 0 49 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.223 126.7 57.8 94.0 -14.6 15.9 6.3 31.3 87 92 A Y T <4 S+ 0 0 208 -3,-2.3 2,-0.6 1,-0.3 -2,-0.2 0.749 95.5 56.0-114.0 -45.4 15.6 10.1 31.1 88 93 A E S X S- 0 0 55 -4,-2.5 4,-2.3 1,-0.1 -2,-0.4 -0.843 76.1-145.4 -94.9 121.8 18.9 11.5 32.0 89 94 A S H > S+ 0 0 84 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.827 92.0 50.5 -60.5 -39.0 21.6 10.0 29.7 90 95 A H H > S+ 0 0 82 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.962 113.7 42.4 -65.9 -51.8 24.4 9.9 32.2 91 96 A M H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.862 113.4 54.7 -64.1 -34.1 22.6 8.1 35.0 92 97 A T H X S+ 0 0 25 -4,-2.3 4,-1.7 -8,-0.2 -1,-0.2 0.941 111.4 44.0 -64.6 -45.5 21.0 5.8 32.4 93 98 A E H X S+ 0 0 62 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.919 112.8 53.1 -62.4 -44.6 24.4 4.8 31.1 94 99 A F H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.939 112.2 43.1 -56.2 -51.0 25.7 4.5 34.7 95 100 A L H < S+ 0 0 0 -4,-2.7 -46,-2.5 1,-0.2 -1,-0.2 0.778 114.3 51.0 -72.1 -26.8 23.0 2.1 35.8 96 101 A N H < S+ 0 0 77 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.893 119.4 35.1 -71.9 -40.0 23.2 0.1 32.6 97 102 A K H < S+ 0 0 108 -4,-2.4 2,-0.3 -5,-0.2 -2,-0.2 0.809 124.6 15.3 -88.8 -33.4 26.9 -0.4 32.8 98 103 A L < - 0 0 4 -4,-2.7 2,-0.4 -5,-0.3 -49,-0.4 -0.857 65.3-119.2-138.0 170.1 27.5 -0.8 36.5 99 104 A D E - c 0 56A 7 -44,-2.0 -42,-2.6 -2,-0.3 2,-0.6 -0.919 16.3-145.9-108.5 139.0 26.0 -1.3 39.9 100 105 A F E -Bc 47 57A 3 -53,-3.0 -53,-3.3 -2,-0.4 2,-0.8 -0.938 9.6-153.8 -95.8 119.9 26.1 1.1 42.8 101 106 A Y E -Bc 46 58A 23 -44,-3.2 -42,-3.2 -2,-0.6 2,-0.6 -0.871 18.2-169.8 -88.6 110.2 26.3 -0.7 46.0 102 107 A V E -Bc 45 59A 0 -57,-3.2 -57,-3.2 -2,-0.8 -42,-0.2 -0.911 15.1-170.1-108.3 119.2 24.7 1.8 48.4 103 108 A L E - c 0 60A 0 -44,-2.8 -42,-2.4 -2,-0.6 3,-0.2 -0.881 8.0-167.8-107.1 99.4 25.0 1.1 52.1 104 109 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.828 70.8 9.7 -66.9 -35.9 22.6 3.7 53.6 105 110 A V + 0 0 1 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.899 55.7 172.8-144.8 115.5 23.6 3.5 57.2 106 111 A L S S+ 0 0 0 -45,-1.7 2,-1.5 -2,-0.3 3,-0.2 0.942 81.6 47.1 -81.2 -53.8 26.6 1.5 58.6 107 112 A N > + 0 0 1 -45,-2.2 4,-1.9 1,-0.2 -1,-0.2 -0.570 66.8 156.3 -93.5 73.9 26.5 2.5 62.2 108 113 A I H > + 0 0 0 -2,-1.5 4,-2.8 -3,-0.3 5,-0.2 0.885 68.2 56.3 -69.4 -40.6 22.8 2.0 62.9 109 114 A D H > S+ 0 0 3 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 110.8 44.2 -60.0 -44.5 23.2 1.5 66.6 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.891 111.2 54.5 -67.8 -38.0 24.9 4.8 67.0 111 116 A Y H X S+ 0 0 1 -4,-1.9 4,-0.9 1,-0.2 3,-0.3 0.925 107.3 49.7 -62.1 -45.0 22.5 6.6 64.7 112 117 A I H >X S+ 0 0 49 -4,-2.8 4,-1.8 1,-0.2 3,-0.9 0.902 107.6 56.2 -58.7 -38.5 19.5 5.3 66.8 113 118 A Y H 3X>S+ 0 0 24 -4,-1.7 4,-2.6 1,-0.3 5,-2.5 0.842 101.4 55.8 -65.2 -31.8 21.4 6.6 69.9 114 119 A T H 3<5S+ 0 0 7 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.727 112.0 44.8 -72.5 -19.2 21.6 10.1 68.4 115 120 A W H <<5S+ 0 0 98 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.780 124.1 31.3 -88.0 -31.2 17.8 10.1 68.0 116 121 A T H <5S- 0 0 92 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.753 136.3 -4.0-101.2 -29.9 17.0 8.7 71.5 117 122 A K T <5S+ 0 0 78 -4,-2.6 2,-0.4 -5,-0.2 -3,-0.2 0.677 121.5 22.3-136.1 -50.1 19.7 9.9 73.8 118 123 A N > < - 0 0 27 -5,-2.5 3,-1.9 1,-0.1 -2,-0.1 -0.871 45.6-163.6-144.4 107.3 22.6 12.0 72.5 119 124 A R T 3 S+ 0 0 54 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.691 92.2 54.2 -61.8 -21.3 22.6 13.9 69.3 120 125 A M T 3 S+ 0 0 83 -53,-0.0 -1,-0.3 156,-0.0 -54,-0.2 0.248 73.9 132.2-102.7 12.1 26.4 14.2 69.3 121 126 A W < + 0 0 16 -3,-1.9 -55,-0.9 1,-0.1 -7,-0.1 -0.367 24.9 172.8 -63.0 145.4 27.3 10.5 69.6 122 127 A R + 0 0 17 -57,-0.2 -57,-1.4 2,-0.1 -1,-0.1 0.708 47.5 64.9-121.0 -45.2 29.9 9.3 67.1 123 128 A K S S- 0 0 1 1,-0.2 14,-0.2 -59,-0.2 -58,-0.2 0.046 86.3 -86.2 -81.8-177.1 31.0 5.8 67.8 124 129 A T - 0 0 0 12,-2.3 -1,-0.2 -14,-0.1 -2,-0.1 -0.100 36.9-119.9 -71.2-174.8 29.3 2.4 67.7 125 130 A R + 0 0 41 10,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.016 62.1 133.6-121.7 27.7 27.4 1.2 70.7 126 131 A S - 0 0 4 10,-0.1 9,-3.0 1,-0.1 2,-0.1 -0.448 56.4-112.6 -77.0 151.6 29.3 -2.0 71.5 127 132 A T - 0 0 94 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.429 23.8-142.5 -78.9 158.9 30.4 -2.8 75.1 128 133 A N > - 0 0 22 5,-0.5 3,-1.5 3,-0.5 5,-0.1 -0.987 21.7-110.2-127.2 132.6 34.0 -2.9 76.1 129 134 A A T 3 S+ 0 0 107 -2,-0.4 3,-0.1 1,-0.2 4,-0.1 -0.320 97.8 12.1 -62.6 135.6 35.5 -5.4 78.6 130 135 A G T 3 S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.437 117.5 67.8 85.5 -0.8 36.6 -3.9 81.9 131 136 A T S < S- 0 0 35 -3,-1.5 -3,-0.5 2,-0.2 -1,-0.1 -0.966 71.5-133.2-146.5 160.7 34.9 -0.5 81.5 132 137 A T S S+ 0 0 55 206,-0.4 207,-0.1 -2,-0.3 2,-0.1 0.538 73.3 115.5 -86.1 -10.1 31.5 1.1 81.4 133 138 A b - 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