==== 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 2PJ9 . COMPND 2 MOLECULE: CARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.ADLER,M.WHITLOW . 304 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 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 . 1 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 . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 1 0 2 0 0 1 0 1 0 0 1 0 1 1 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 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 6 A G 0 0 115 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 30.8 19.7 15.1 35.5 2 7 A H + 0 0 57 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.610 360.0 177.0 -85.9 142.4 21.6 16.5 32.5 3 8 A S - 0 0 34 -2,-0.3 3,-0.5 3,-0.2 5,-0.1 -0.994 29.8-151.8-140.3 144.1 25.4 17.1 32.6 4 9 A Y S S+ 0 0 47 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.574 101.4 54.3 -86.4 -10.4 27.7 18.3 29.9 5 10 A E S S+ 0 0 98 277,-0.1 2,-0.3 2,-0.1 277,-0.2 0.173 107.5 53.7-107.9 12.8 30.5 16.3 31.4 6 11 A K S S- 0 0 118 -3,-0.5 2,-0.4 276,-0.1 -3,-0.2 -0.948 91.9 -98.5-137.5 160.9 28.7 12.9 31.4 7 12 A Y - 0 0 18 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.704 41.2-151.0 -80.5 130.5 26.9 10.9 28.8 8 13 A N - 0 0 11 -2,-0.4 -6,-0.1 60,-0.2 5,-0.0 -0.827 10.2-122.6-106.6 139.3 23.2 11.4 28.9 9 14 A N > - 0 0 53 -2,-0.4 4,-2.6 1,-0.1 3,-0.4 -0.194 36.1 -98.9 -72.0 170.9 20.5 8.9 27.9 10 15 A W H > S+ 0 0 15 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.910 122.2 57.7 -63.0 -40.8 17.9 9.8 25.3 11 16 A E H > S+ 0 0 149 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.902 112.2 43.5 -54.1 -40.3 15.2 10.8 27.8 12 17 A T H > S+ 0 0 29 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.897 113.8 48.5 -75.0 -41.8 17.7 13.3 29.2 13 18 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.918 111.0 51.9 -61.5 -43.3 18.9 14.6 25.8 14 19 A E H X S+ 0 0 48 -4,-3.5 4,-1.4 1,-0.2 -2,-0.2 0.938 110.7 47.3 -58.2 -47.7 15.3 15.0 24.6 15 20 A A H X S+ 0 0 53 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.882 110.1 54.6 -61.5 -37.5 14.4 17.0 27.7 16 21 A W H X S+ 0 0 14 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.876 101.4 56.7 -65.1 -38.9 17.6 19.1 27.1 17 22 A T H X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.901 112.6 42.2 -61.6 -37.8 16.6 20.0 23.6 18 23 A K H X S+ 0 0 77 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.914 114.3 52.2 -74.3 -42.4 13.3 21.4 24.9 19 24 A Q H X S+ 0 0 111 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.939 108.8 47.5 -55.4 -52.4 15.0 23.1 27.8 20 25 A V H X S+ 0 0 5 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.825 113.4 49.6 -68.9 -27.1 17.7 24.9 25.9 21 26 A T H >< S+ 0 0 16 -4,-1.1 3,-0.5 -5,-0.3 7,-0.3 0.918 109.8 50.2 -71.7 -45.0 15.1 26.2 23.4 22 27 A S H 3< S+ 0 0 93 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.826 111.6 49.1 -63.6 -31.9 12.7 27.4 26.1 23 28 A E H 3< S+ 0 0 119 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.702 123.3 31.0 -79.9 -20.7 15.6 29.3 27.8 24 29 A N XX + 0 0 47 -4,-0.7 4,-2.3 -3,-0.5 3,-1.8 -0.354 67.2 152.5-135.9 54.1 16.7 30.9 24.5 25 30 A P T 34 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.744 75.7 52.9 -62.6 -24.5 13.6 31.4 22.4 26 31 A D T 34 S+ 0 0 139 1,-0.1 3,-0.1 -3,-0.1 -5,-0.0 0.514 120.6 31.6 -88.7 -6.0 15.0 34.4 20.5 27 32 A L T <4 S+ 0 0 20 -3,-1.8 21,-2.6 1,-0.3 2,-0.4 0.529 120.6 45.1-121.5 -17.8 18.2 32.6 19.5 28 33 A I E < -A 47 0A 3 -4,-2.3 2,-0.3 -7,-0.3 -1,-0.3 -0.990 52.9-179.8-135.7 130.6 17.0 29.0 19.2 29 34 A S E -A 46 0A 59 17,-1.6 17,-3.2 -2,-0.4 2,-0.4 -0.960 15.3-149.0-123.9 151.7 14.0 27.3 17.5 30 35 A R E +A 45 0A 85 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.927 17.9 168.1-121.0 139.5 13.3 23.6 17.5 31 36 A T E -A 44 0A 77 13,-2.2 13,-2.7 -2,-0.4 2,-0.6 -0.935 32.5-123.9-136.9 165.0 11.5 21.4 14.9 32 37 A A E -A 43 0A 52 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.964 14.8-167.4-109.6 119.8 11.0 17.6 14.3 33 38 A I E - 0 0 32 9,-2.2 2,-0.3 -2,-0.6 10,-0.1 0.500 65.3 -51.4 -84.1 -3.9 12.2 16.6 10.8 34 39 A G E -A 42 0A 24 8,-0.5 8,-2.8 5,-0.0 2,-0.3 -0.978 62.1 -78.2 162.5-170.6 10.5 13.3 11.1 35 40 A T E -A 41 0A 50 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.952 35.7-119.4-125.7 149.7 10.1 10.1 13.3 36 41 A T > - 0 0 0 4,-2.4 3,-1.6 -2,-0.3 71,-0.1 -0.110 42.1 -91.5 -74.0 176.7 12.4 7.1 13.8 37 42 A F T 3 S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.847 131.0 47.6 -58.8 -33.9 11.4 3.5 13.0 38 43 A L T 3 S- 0 0 106 2,-0.1 -1,-0.3 88,-0.0 -2,-0.0 0.354 125.8-101.2 -93.1 3.3 10.2 3.2 16.6 39 44 A G < + 0 0 47 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.573 69.7 146.4 96.4 10.6 8.3 6.5 16.5 40 45 A N - 0 0 46 1,-0.1 -4,-2.4 -5,-0.0 -1,-0.3 -0.607 53.6-107.5 -83.7 139.8 10.6 8.9 18.3 41 46 A N E -A 35 0A 69 -2,-0.3 2,-0.8 -6,-0.2 -6,-0.2 -0.434 22.9-141.1 -64.3 132.7 10.8 12.5 17.2 42 47 A I E -A 34 0A 0 -8,-2.8 -9,-2.2 -2,-0.2 -8,-0.5 -0.847 26.4-152.5 -96.5 104.2 13.9 13.5 15.4 43 48 A Y E -A 32 0A 15 -2,-0.8 2,-0.4 62,-0.2 62,-0.4 -0.499 15.9-170.6 -86.7 145.7 14.8 17.0 16.7 44 49 A L E -A 31 0A 2 -13,-2.7 -13,-2.2 -2,-0.2 2,-0.5 -0.998 9.9-151.7-129.2 135.0 16.6 19.7 14.9 45 50 A L E -AB 30 102A 0 57,-2.7 57,-3.0 -2,-0.4 2,-0.7 -0.913 2.5-153.8-107.6 133.5 17.8 23.0 16.6 46 51 A K E -AB 29 101A 74 -17,-3.2 -17,-1.6 -2,-0.5 2,-0.5 -0.900 16.5-170.0-107.3 106.7 18.2 26.2 14.6 47 52 A V E +AB 28 100A 0 53,-3.2 53,-2.9 -2,-0.7 2,-0.2 -0.853 36.0 77.0-106.0 122.5 20.7 28.4 16.4 48 53 A G S S- 0 0 4 -21,-2.6 48,-0.2 -2,-0.5 51,-0.1 -0.813 84.3 -69.4 159.7 158.8 21.2 32.0 15.3 49 54 A K - 0 0 109 46,-2.6 -22,-0.1 49,-0.3 -2,-0.1 -0.663 66.9-110.0 -71.5 121.2 19.9 35.5 15.4 50 55 A P + 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.183 54.9 147.3 -59.0 143.2 16.7 35.2 13.2 51 56 A G - 0 0 40 3,-0.0 3,-0.5 -3,-0.0 2,-0.4 -0.976 50.3 -82.1-164.7 164.9 16.7 37.0 9.9 52 57 A P S S- 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.650 102.4 -11.6 -76.1 126.0 15.4 36.7 6.3 53 58 A N S S+ 0 0 153 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 0.917 80.7 173.4 55.0 58.1 17.4 34.4 4.0 54 59 A K - 0 0 21 -3,-0.5 -1,-0.2 1,-0.1 44,-0.2 -0.715 33.9-114.8 -89.0 145.7 20.5 33.7 6.0 55 60 A P - 0 0 28 0, 0.0 44,-2.0 0, 0.0 2,-0.3 -0.341 39.2-151.5 -67.6 164.6 23.1 31.1 4.8 56 61 A A E -cd 99 185A 3 128,-2.7 130,-3.0 42,-0.2 131,-0.9 -0.973 20.5-146.2-142.3 153.3 23.4 28.1 7.1 57 62 A I E -cd 100 187A 1 42,-2.6 44,-2.8 -2,-0.3 2,-0.5 -0.981 21.5-150.0-113.9 136.7 25.7 25.3 8.3 58 63 A F E +cd 101 188A 0 129,-2.6 131,-3.0 -2,-0.4 2,-0.4 -0.918 18.3 174.8-110.6 126.4 24.3 21.9 9.0 59 64 A M E -cd 102 189A 1 42,-3.2 44,-2.6 -2,-0.5 2,-0.3 -0.996 4.2-176.2-131.1 131.9 25.8 19.6 11.7 60 65 A D E -cd 103 190A 0 129,-2.1 131,-2.6 -2,-0.4 2,-0.3 -0.903 3.9-168.4-122.2 157.7 24.6 16.3 13.0 61 66 A a E + d 0 191A 0 42,-2.2 45,-1.7 -2,-0.3 46,-0.2 -0.871 60.3 42.4-128.2 166.4 25.7 13.9 15.7 62 67 A G + 0 0 0 129,-0.5 45,-2.0 -2,-0.3 49,-0.2 0.769 51.4 142.8 71.1 29.5 24.8 10.3 16.6 63 68 A F S S+ 0 0 0 128,-0.5 2,-0.5 43,-0.2 47,-0.1 0.935 76.3 47.0 -55.0 -47.6 24.6 8.6 13.2 64 69 A H S > S- 0 0 3 1,-0.1 3,-1.5 3,-0.1 59,-0.2 -0.876 83.5-141.5-107.3 126.9 26.1 5.6 14.9 65 70 A A T 3 S+ 0 0 0 57,-1.6 57,-0.2 -2,-0.5 -1,-0.1 0.794 94.8 49.8 -59.1 -39.9 24.7 4.5 18.2 66 71 A R T 3 S+ 0 0 39 55,-0.8 2,-1.9 1,-0.2 -1,-0.3 0.565 83.4 92.8 -79.2 -9.1 27.8 3.5 20.1 67 72 A E X> + 0 0 5 -3,-1.5 3,-2.1 1,-0.2 4,-0.8 -0.416 50.3 167.0 -87.6 65.7 29.8 6.7 19.3 68 73 A W H 3> + 0 0 26 -2,-1.9 4,-1.9 207,-0.4 -1,-0.2 0.709 65.4 63.2 -61.4 -27.2 28.7 8.4 22.5 69 74 A I H 3> S+ 0 0 2 206,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.772 97.0 61.3 -70.1 -22.3 31.1 11.3 22.4 70 75 A S H <> S+ 0 0 0 -3,-2.1 4,-1.6 2,-0.2 3,-0.3 0.975 105.8 43.7 -64.0 -54.9 29.5 12.4 19.1 71 76 A H H X S+ 0 0 0 -4,-0.8 4,-1.4 1,-0.2 -2,-0.2 0.906 112.0 56.1 -55.4 -41.9 26.1 13.0 20.8 72 77 A A H X S+ 0 0 9 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.887 103.8 54.6 -60.1 -37.5 28.0 14.6 23.7 73 78 A F H X S+ 0 0 0 -4,-1.8 4,-3.0 -3,-0.3 -1,-0.2 0.905 101.0 54.5 -69.5 -41.7 29.6 17.1 21.3 74 79 A a H X S+ 0 0 0 -4,-1.6 4,-1.8 30,-0.2 -1,-0.2 0.888 110.8 49.0 -57.9 -37.5 26.4 18.5 19.7 75 80 A Q H X S+ 0 0 4 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.948 111.4 48.2 -65.8 -47.8 25.1 19.3 23.2 76 81 A W H X S+ 0 0 7 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.914 109.0 55.0 -56.4 -44.8 28.4 21.0 24.2 77 82 A F H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.908 107.4 48.9 -58.2 -43.9 28.3 23.0 20.9 78 83 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.919 111.6 48.2 -67.2 -43.0 24.9 24.4 21.6 79 84 A R H X S+ 0 0 75 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.935 113.1 48.4 -61.1 -44.0 25.7 25.5 25.1 80 85 A E H X S+ 0 0 52 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.890 109.9 52.7 -65.1 -38.2 28.9 27.2 24.0 81 86 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.929 115.4 39.6 -62.7 -45.8 27.1 28.9 21.1 82 87 A V H < S+ 0 0 28 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.924 116.0 51.1 -69.5 -43.1 24.4 30.4 23.5 83 88 A L H < S+ 0 0 114 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.837 117.6 37.5 -66.2 -34.4 26.9 31.1 26.3 84 89 A T H >X S+ 0 0 17 -4,-2.1 4,-3.1 -5,-0.2 3,-2.1 0.579 87.5 106.9 -99.0 -11.7 29.3 33.0 24.1 85 90 A Y T 3< S+ 0 0 64 -4,-1.2 4,-0.1 1,-0.3 7,-0.1 -0.542 93.7 15.8 -65.2 128.2 26.8 34.8 21.8 86 91 A G T 34 S+ 0 0 65 2,-0.4 -1,-0.3 -2,-0.3 3,-0.1 0.416 129.3 58.6 86.1 -2.0 26.9 38.4 22.8 87 92 A Y T <4 S+ 0 0 203 -3,-2.1 2,-0.5 1,-0.3 -2,-0.2 0.669 97.4 49.3-124.7 -42.9 30.1 37.9 24.7 88 93 A E S X S- 0 0 50 -4,-3.1 4,-2.1 1,-0.1 -2,-0.4 -0.914 74.9-139.2-107.8 129.9 32.8 36.6 22.3 89 94 A S H > S+ 0 0 82 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 0.832 95.6 49.8 -62.0 -36.7 33.1 38.6 19.1 90 95 A H H > S+ 0 0 90 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.937 113.0 42.3 -72.5 -46.8 33.5 35.7 16.7 91 96 A M H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.865 113.7 55.6 -67.1 -32.4 30.6 33.5 17.8 92 97 A T H X S+ 0 0 30 -4,-2.1 4,-1.0 -8,-0.3 -2,-0.2 0.933 110.4 44.1 -64.2 -44.8 28.5 36.7 17.9 93 98 A E H X S+ 0 0 68 -4,-2.2 4,-2.0 -5,-0.2 3,-0.4 0.927 111.5 56.1 -61.9 -44.7 29.4 37.5 14.3 94 99 A F H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 3,-0.3 0.936 109.7 42.1 -51.9 -55.6 28.8 33.8 13.4 95 100 A L H < S+ 0 0 0 -4,-2.5 -46,-2.6 1,-0.2 -1,-0.2 0.654 112.8 55.1 -76.0 -14.8 25.2 33.7 14.6 96 101 A N H < S+ 0 0 68 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.841 117.3 34.2 -79.4 -35.5 24.4 37.1 13.2 97 102 A K H < S+ 0 0 106 -4,-2.0 2,-0.3 -3,-0.3 -2,-0.2 0.760 126.7 17.1 -93.3 -29.1 25.5 36.2 9.7 98 103 A L < - 0 0 2 -4,-2.5 2,-0.4 -5,-0.3 -49,-0.3 -0.898 66.8-121.7-139.0 168.5 24.5 32.5 9.5 99 104 A D E - c 0 56A 9 -44,-2.0 -42,-2.6 -2,-0.3 2,-0.6 -0.891 16.3-143.5-108.4 143.6 22.3 29.9 11.2 100 105 A F E -Bc 47 57A 2 -53,-2.9 -53,-3.2 -2,-0.4 2,-0.7 -0.944 6.7-158.2-100.9 122.7 23.5 26.6 12.6 101 106 A Y E -Bc 46 58A 21 -44,-2.8 -42,-3.2 -2,-0.6 2,-0.6 -0.908 16.4-171.9 -93.6 111.5 21.2 23.6 12.1 102 107 A V E -Bc 45 59A 0 -57,-3.0 -57,-2.7 -2,-0.7 -42,-0.2 -0.927 15.2-169.4-110.7 118.0 22.2 21.1 14.9 103 108 A L E - c 0 60A 0 -44,-2.6 -42,-2.2 -2,-0.6 3,-0.2 -0.877 9.2-165.1-103.8 100.4 20.7 17.6 14.8 104 109 A P S S+ 0 0 4 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.847 72.5 6.5 -62.7 -40.0 21.8 16.3 18.3 105 110 A V + 0 0 2 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.915 55.9 176.5-145.8 117.1 21.0 12.6 17.6 106 111 A L S S+ 0 0 0 -45,-1.7 2,-1.7 -2,-0.3 3,-0.3 0.949 82.4 49.2 -79.1 -56.6 20.0 11.1 14.3 107 112 A N > + 0 0 1 -45,-2.0 4,-1.9 1,-0.2 -1,-0.2 -0.529 66.2 157.3 -87.8 73.4 19.9 7.4 15.2 108 113 A I H > + 0 0 0 -2,-1.7 4,-2.6 -3,-0.3 5,-0.2 0.885 69.3 55.2 -66.1 -41.1 17.8 7.7 18.4 109 114 A D H > S+ 0 0 3 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.915 110.4 45.4 -61.4 -43.8 16.5 4.1 18.3 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.899 111.1 53.3 -66.5 -39.7 20.0 2.8 18.2 111 116 A Y H X S+ 0 0 2 -4,-1.9 4,-0.9 1,-0.2 3,-0.3 0.918 107.8 49.9 -62.4 -45.1 21.2 5.1 20.9 112 117 A I H >X S+ 0 0 54 -4,-2.6 4,-1.3 1,-0.2 3,-0.9 0.918 108.6 55.4 -57.5 -41.1 18.4 4.0 23.2 113 118 A Y H 3X>S+ 0 0 46 -4,-1.8 4,-2.4 1,-0.2 5,-2.3 0.814 101.3 56.0 -63.1 -32.0 19.4 0.4 22.4 114 119 A T H 3<5S+ 0 0 6 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.693 111.1 45.6 -76.5 -16.4 23.1 1.0 23.5 115 120 A W H <<5S+ 0 0 96 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.701 123.8 31.6 -91.1 -25.0 21.8 2.2 26.9 116 121 A T H <5S- 0 0 94 -4,-1.3 -2,-0.2 -5,-0.1 -3,-0.2 0.826 135.0 -2.5-103.7 -38.9 19.3 -0.7 27.4 117 122 A K T <5S+ 0 0 162 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.2 0.715 123.7 19.8-129.9 -39.2 20.6 -3.8 25.8 118 123 A N > < - 0 0 65 -5,-2.3 3,-2.1 1,-0.1 -1,-0.1 -0.763 46.6-164.8-151.9 98.5 23.9 -3.6 23.8 119 124 A R T 3 S+ 0 0 56 -2,-0.3 -5,-0.1 1,-0.3 -1,-0.1 0.719 91.5 56.5 -51.8 -26.5 26.5 -0.8 24.4 120 125 A M T 3 S+ 0 0 79 -53,-0.0 -1,-0.3 -55,-0.0 -54,-0.1 0.248 74.0 128.3 -98.7 12.3 28.2 -1.8 21.1 121 126 A W < + 0 0 33 -3,-2.1 -55,-0.8 -11,-0.1 -7,-0.1 -0.387 26.4 172.7 -67.2 149.7 25.3 -1.5 18.7 122 127 A R + 0 0 17 -57,-0.2 -57,-1.6 2,-0.1 -1,-0.1 0.709 48.0 65.6-123.5 -46.0 25.9 0.7 15.6 123 128 A K S S- 0 0 4 1,-0.2 14,-0.2 -59,-0.2 -58,-0.2 0.081 86.2 -85.6 -79.2-177.1 23.0 0.5 13.1 124 129 A T - 0 0 0 12,-2.4 -1,-0.2 -14,-0.1 -2,-0.1 -0.131 36.8-121.7 -71.7-175.9 19.3 1.6 13.2 125 130 A R + 0 0 46 10,-0.1 2,-0.2 9,-0.0 -1,-0.0 -0.048 61.1 132.7-124.5 32.5 16.8 -0.8 14.8 126 131 A S - 0 0 5 10,-0.1 9,-2.8 1,-0.1 2,-0.1 -0.511 58.6-110.5 -79.4 151.7 14.4 -1.3 11.8 127 132 A T - 0 0 93 7,-0.2 2,-0.4 -2,-0.2 7,-0.1 -0.416 26.5-142.4 -79.6 160.0 13.3 -4.8 11.0 128 133 A N > - 0 0 21 3,-0.4 3,-1.0 5,-0.3 2,-0.1 -0.956 22.5-103.7-125.3 145.6 14.5 -6.6 7.8 129 134 A A T 3 S+ 0 0 103 -2,-0.4 4,-0.1 1,-0.2 3,-0.1 -0.409 97.0 4.0 -70.7 135.0 12.5 -8.9 5.6 130 135 A G T 3 S+ 0 0 95 -2,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.420 116.7 76.2 81.3 -2.7 13.1 -12.6 5.8 131 136 A T S < S- 0 0 48 -3,-1.0 -3,-0.4 2,-0.2 -1,-0.1 -0.952 70.4-137.1-140.3 159.1 15.7 -12.4 8.6 132 137 A T S S+ 0 0 134 -2,-0.3 2,-0.2 -5,-0.1 -1,-0.1 0.577 74.4 111.6 -85.4 -12.7 15.9 -12.0 12.3 133 138 A b - 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