==== 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 2PIZ . 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) . 35172.0 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 . 88 9.6 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 . 1 0.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 92 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 30.6 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 1 2 0 4 0 0 3 0 2 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 3 4 2 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 5 A T 0 0 144 0, 0.0 2,-0.1 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 -39.3 7.3 9.9 61.4 2 6 A G - 0 0 68 1,-0.1 2,-0.2 7,-0.0 11,-0.1 -0.355 360.0-117.4 -64.2 138.6 6.7 10.9 57.8 3 7 A H + 0 0 57 10,-0.1 2,-0.3 6,-0.1 -1,-0.1 -0.528 33.6 178.7 -77.5 139.8 9.7 10.8 55.5 4 8 A S > - 0 0 41 -2,-0.2 3,-0.9 3,-0.2 5,-0.1 -0.995 29.4-146.7-137.5 141.6 11.0 14.0 53.9 5 9 A Y T 3 S+ 0 0 44 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.616 102.7 51.9 -79.8 -12.8 14.0 14.5 51.6 6 10 A E T 3 S+ 0 0 96 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.080 106.3 62.0-109.8 23.4 14.6 18.0 53.0 7 11 A K S < S- 0 0 119 -3,-0.9 2,-0.5 276,-0.1 -3,-0.2 -0.955 90.3-103.6-134.3 160.8 14.5 17.0 56.7 8 12 A Y - 0 0 17 -2,-0.3 2,-0.4 -5,-0.1 62,-0.1 -0.744 41.7-150.8 -80.8 127.0 16.6 14.7 58.8 9 13 A N - 0 0 9 -2,-0.5 -6,-0.1 60,-0.2 -7,-0.0 -0.826 8.1-124.3-105.1 140.1 14.7 11.5 59.3 10 14 A N > - 0 0 44 -2,-0.4 4,-2.4 1,-0.1 3,-0.2 -0.193 35.5 -98.6 -75.6 172.4 15.0 9.1 62.4 11 15 A W H > S+ 0 0 15 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.897 121.9 55.2 -65.4 -41.3 15.9 5.5 61.9 12 16 A E H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 113.1 45.0 -54.7 -40.2 12.3 4.2 62.1 13 17 A T H > S+ 0 0 7 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.888 112.8 49.0 -73.6 -39.1 11.5 6.5 59.3 14 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.909 110.9 51.3 -66.6 -42.0 14.6 5.6 57.3 15 19 A E H X S+ 0 0 61 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.943 110.3 48.1 -59.3 -48.5 13.9 1.9 57.7 16 20 A A H X S+ 0 0 63 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.874 110.2 54.9 -59.5 -35.4 10.3 2.4 56.5 17 21 A W H X S+ 0 0 12 -4,-1.9 4,-3.1 2,-0.2 5,-0.4 0.885 100.9 56.1 -66.6 -39.4 11.7 4.4 53.6 18 22 A T H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.885 112.3 44.1 -62.6 -36.4 14.1 1.7 52.4 19 23 A K H X S+ 0 0 144 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.918 116.2 46.6 -71.3 -42.5 11.1 -0.7 52.1 20 24 A Q H X S+ 0 0 101 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.923 111.8 47.6 -68.2 -45.1 8.8 1.9 50.5 21 25 A V H X S+ 0 0 3 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.820 113.8 50.5 -69.4 -28.2 11.3 3.2 47.9 22 26 A T H >< S+ 0 0 27 -4,-1.0 3,-0.6 -5,-0.4 7,-0.3 0.895 110.1 47.9 -74.8 -41.4 12.1 -0.5 47.0 23 27 A S H 3< S+ 0 0 76 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.816 112.6 50.4 -68.2 -28.5 8.5 -1.5 46.6 24 28 A E H 3< S+ 0 0 122 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.630 119.2 36.1 -82.8 -12.9 7.9 1.6 44.4 25 29 A N XX + 0 0 34 -3,-0.6 4,-2.4 -4,-0.5 3,-2.1 -0.354 65.5 158.2-140.1 56.1 10.8 0.9 42.1 26 30 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.729 77.8 46.6 -59.2 -29.4 11.2 -2.9 41.7 27 31 A D T 34 S+ 0 0 87 1,-0.1 3,-0.1 23,-0.1 -5,-0.0 0.322 121.8 37.0 -97.8 8.4 13.2 -2.8 38.5 28 32 A L T <4 S+ 0 0 9 -3,-2.1 21,-2.7 1,-0.3 2,-0.4 0.543 117.1 39.9-127.6 -23.4 15.5 -0.2 39.8 29 33 A I E < -A 48 0A 3 -4,-2.4 2,-0.4 -7,-0.3 -1,-0.3 -0.994 50.0-179.4-139.1 131.3 16.1 -1.0 43.4 30 34 A S E -A 47 0A 68 17,-1.8 17,-3.1 -2,-0.4 2,-0.4 -0.974 17.4-148.5-122.2 147.0 16.5 -4.2 45.5 31 35 A R E +A 46 0A 85 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.939 23.4 156.7-117.0 133.4 17.0 -4.2 49.3 32 36 A T E -A 45 0A 83 13,-2.3 13,-3.2 -2,-0.4 2,-0.4 -0.852 35.2-121.3-134.0 176.5 19.0 -6.6 51.4 33 37 A A E -A 44 0A 56 -2,-0.3 11,-0.2 11,-0.3 3,-0.1 -0.974 12.0-166.9-118.9 139.5 20.6 -6.5 54.9 34 38 A I E - 0 0 32 9,-2.5 2,-0.3 -2,-0.4 10,-0.1 0.454 66.5 -38.8-104.3 -3.0 24.3 -7.2 55.3 35 39 A G E - 0 0 23 8,-0.4 8,-2.9 140,-0.0 2,-0.3 -0.971 60.5 -89.0 168.1 179.9 24.2 -7.6 59.0 36 40 A T E -A 42 0A 50 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.866 34.4-121.5-115.4 156.9 22.8 -6.5 62.3 37 41 A T > - 0 0 1 4,-2.3 3,-1.6 -2,-0.3 71,-0.1 -0.294 38.3 -93.8 -84.1 176.1 24.1 -3.8 64.7 38 42 A F T 3 S+ 0 0 85 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.872 128.7 45.5 -57.6 -38.7 25.1 -4.3 68.3 39 43 A L T 3 S- 0 0 105 88,-0.0 -1,-0.3 2,-0.0 88,-0.0 0.184 126.5 -98.6 -97.2 16.2 21.6 -3.4 69.4 40 44 A G S < S+ 0 0 49 -3,-1.6 2,-0.2 1,-0.2 -2,-0.1 0.647 70.8 146.1 87.2 17.5 20.0 -5.5 66.8 41 45 A N - 0 0 37 1,-0.1 -4,-2.3 2,-0.0 2,-0.5 -0.565 51.9-109.0 -85.2 153.4 19.1 -3.1 64.1 42 46 A N E -A 36 0A 63 -6,-0.2 2,-1.4 -2,-0.2 -6,-0.2 -0.706 18.2-141.6 -89.4 125.2 19.1 -4.2 60.4 43 47 A I E - 0 0 0 -8,-2.9 -9,-2.5 -2,-0.5 -8,-0.4 -0.666 27.4-157.1 -86.9 92.2 21.9 -2.8 58.3 44 48 A Y E -A 33 0A 16 -2,-1.4 2,-0.4 -11,-0.2 62,-0.4 -0.395 11.2-165.2 -74.7 142.3 20.1 -2.3 55.0 45 49 A L E -A 32 0A 1 -13,-3.2 -13,-2.3 59,-0.2 2,-0.5 -0.998 6.9-152.8-123.6 132.0 21.8 -2.1 51.6 46 50 A L E -AB 31 103A 0 57,-2.8 57,-3.1 -2,-0.4 2,-0.7 -0.894 2.1-154.9-102.8 129.7 20.1 -0.8 48.5 47 51 A K E -AB 30 102A 83 -17,-3.1 -17,-1.8 -2,-0.5 2,-0.6 -0.916 18.0-168.5-103.1 112.2 21.2 -2.0 45.1 48 52 A V E +AB 29 101A 0 53,-3.4 53,-2.8 -2,-0.7 2,-0.2 -0.890 37.5 66.1-111.2 119.1 20.3 0.7 42.6 49 53 A G S S- 0 0 3 -21,-2.7 48,-0.2 -2,-0.6 51,-0.1 -0.851 86.3 -64.3 155.2 166.9 20.4 0.1 38.9 50 54 A K - 0 0 51 46,-2.6 -22,-0.1 49,-0.3 -23,-0.1 -0.728 62.2-116.4 -82.1 118.5 18.9 -1.8 36.0 51 55 A P + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 -0.146 52.5 137.8 -58.2 149.1 19.6 -5.5 36.6 52 56 A G > - 0 0 43 3,-0.0 3,-0.6 46,-0.0 2,-0.2 -0.962 51.8 -64.1-173.3 174.6 21.8 -7.4 34.2 53 57 A P T 3 S- 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.486 104.4 -7.5 -74.9 140.9 24.7 -9.9 33.9 54 58 A N T 3 S+ 0 0 172 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.801 82.3 177.2 49.8 43.6 28.2 -9.3 35.2 55 59 A K < - 0 0 26 -3,-0.6 -1,-0.2 1,-0.1 44,-0.2 -0.595 25.8-130.4 -82.3 137.6 27.6 -5.6 36.1 56 60 A P - 0 0 27 0, 0.0 44,-2.0 0, 0.0 2,-0.3 -0.364 30.3-150.9 -72.1 165.8 30.4 -3.6 37.7 57 61 A A E -cd 100 186A 2 128,-2.9 130,-3.2 42,-0.2 131,-0.7 -0.943 19.6-145.7-141.2 157.3 29.4 -1.6 40.8 58 62 A I E -cd 101 188A 1 42,-2.5 44,-3.0 -2,-0.3 2,-0.5 -0.992 22.4-148.4-119.4 136.8 30.2 1.5 42.8 59 63 A F E +cd 102 189A 0 129,-2.7 131,-3.0 -2,-0.4 2,-0.4 -0.906 18.9 175.0-109.4 128.7 29.7 1.2 46.6 60 64 A M E -cd 103 190A 3 42,-3.3 44,-2.8 -2,-0.5 2,-0.3 -0.991 4.5-175.0-133.7 128.0 28.7 4.2 48.7 61 65 A D E -cd 104 191A 0 129,-2.0 131,-2.7 -2,-0.4 2,-0.3 -0.875 2.7-167.8-118.8 157.3 27.9 4.3 52.4 62 66 A a E + d 0 192A 0 42,-2.3 45,-1.8 -2,-0.3 46,-0.2 -0.885 60.0 39.5-129.2 162.9 26.6 7.0 54.7 63 67 A G + 0 0 1 129,-0.6 45,-2.1 -2,-0.3 49,-0.1 0.781 52.9 142.4 71.3 28.9 26.3 7.5 58.4 64 68 A F S S+ 0 0 0 128,-0.5 2,-0.5 43,-0.2 47,-0.1 0.935 76.7 47.7 -53.7 -47.5 29.6 6.0 59.6 65 69 A H S > S- 0 0 6 1,-0.1 3,-1.8 3,-0.1 -1,-0.2 -0.885 84.2-143.4-109.1 122.2 29.5 8.8 62.2 66 70 A A T 3 S+ 0 0 0 57,-1.4 57,-0.2 -2,-0.5 -1,-0.1 0.804 93.9 49.6 -59.3 -40.8 26.3 9.2 64.1 67 71 A R T 3 S+ 0 0 34 55,-0.9 2,-1.9 1,-0.2 -1,-0.3 0.545 84.0 92.6 -78.5 -7.2 26.2 13.0 64.4 68 72 A E X> + 0 0 5 -3,-1.8 3,-1.9 1,-0.2 4,-0.7 -0.435 50.6 166.3 -88.4 66.1 27.0 13.7 60.7 69 73 A W H 3> + 0 0 28 -2,-1.9 4,-1.9 207,-0.5 -1,-0.2 0.720 65.0 64.2 -60.2 -29.1 23.3 13.9 59.8 70 74 A I H 3> S+ 0 0 2 206,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.797 96.7 61.8 -66.7 -23.9 23.8 15.5 56.3 71 75 A S H <> S+ 0 0 0 -3,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.953 104.7 44.6 -63.9 -49.9 25.6 12.3 55.4 72 76 A H H X S+ 0 0 0 -4,-0.7 4,-1.5 1,-0.2 -2,-0.2 0.909 112.1 54.6 -59.3 -42.0 22.5 10.1 56.0 73 77 A A H X S+ 0 0 6 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.871 103.8 55.0 -63.0 -36.7 20.4 12.7 54.1 74 78 A F H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.915 102.8 54.0 -65.9 -41.8 22.6 12.5 51.1 75 79 A a H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.894 111.5 46.1 -61.6 -38.2 22.3 8.8 50.6 76 80 A Q H X S+ 0 0 3 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.912 111.9 51.5 -67.8 -41.6 18.5 9.1 50.6 77 81 A W H X S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.924 107.0 54.1 -59.6 -46.5 18.7 12.1 48.2 78 82 A F H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.911 105.6 53.0 -54.0 -47.9 20.9 10.1 45.8 79 83 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.908 110.7 45.1 -61.3 -44.0 18.4 7.3 45.6 80 84 A R H X S+ 0 0 77 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.925 111.6 52.6 -65.6 -42.9 15.4 9.5 44.7 81 85 A E H X S+ 0 0 40 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.897 108.4 52.6 -60.2 -38.5 17.4 11.4 42.1 82 86 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.957 115.1 39.0 -59.8 -51.4 18.5 8.1 40.5 83 87 A V H < S+ 0 0 27 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.790 116.3 51.3 -74.7 -28.0 14.9 6.8 40.2 84 88 A L H < S+ 0 0 111 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.842 117.4 36.4 -74.7 -35.1 13.4 10.2 39.2 85 89 A T H >X S+ 0 0 33 -4,-2.0 3,-2.4 -5,-0.3 4,-2.4 0.559 82.4 119.0-100.3 -9.5 15.9 11.0 36.4 86 90 A Y T 3< S+ 0 0 56 -4,-1.3 4,-0.1 1,-0.3 7,-0.1 -0.396 86.5 16.4 -57.6 124.4 16.4 7.5 35.0 87 91 A G T 34 S+ 0 0 49 2,-0.4 -1,-0.3 -2,-0.2 3,-0.1 0.231 126.2 58.0 96.7 -14.0 15.2 7.6 31.4 88 92 A Y T <4 S+ 0 0 206 -3,-2.4 2,-0.6 1,-0.3 -2,-0.2 0.710 95.1 56.1-117.7 -36.7 15.3 11.4 31.2 89 93 A E S X S- 0 0 51 -4,-2.4 4,-2.4 1,-0.1 -2,-0.4 -0.907 75.3-142.9-104.1 123.3 18.8 12.5 32.0 90 94 A S H > S+ 0 0 87 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.871 93.9 47.5 -54.8 -47.5 21.4 10.9 29.7 91 95 A H H > S+ 0 0 89 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.948 114.0 43.5 -64.9 -51.1 24.1 10.4 32.3 92 96 A M H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.871 112.7 55.7 -62.9 -34.4 22.1 8.9 35.1 93 97 A T H X S+ 0 0 29 -4,-2.4 4,-1.5 -8,-0.2 -1,-0.2 0.937 110.9 43.5 -62.8 -45.0 20.3 6.7 32.5 94 98 A E H X S+ 0 0 78 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.917 110.9 55.7 -66.1 -42.4 23.7 5.4 31.3 95 99 A F H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.940 111.1 42.7 -52.9 -51.7 25.0 4.9 34.9 96 100 A L H < S+ 0 0 0 -4,-2.2 -46,-2.6 1,-0.2 -1,-0.2 0.770 113.9 51.9 -74.0 -26.2 22.1 2.7 35.9 97 101 A N H < S+ 0 0 77 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.898 121.0 31.6 -70.0 -40.3 22.1 0.7 32.7 98 102 A K H < S+ 0 0 93 -4,-2.4 2,-0.3 -5,-0.1 -2,-0.2 0.776 123.8 22.1 -96.1 -30.6 25.8 -0.1 32.9 99 103 A L < - 0 0 2 -4,-2.9 2,-0.4 -5,-0.3 -49,-0.3 -0.844 65.8-123.2-132.2 169.0 26.6 -0.3 36.6 100 104 A D E - c 0 57A 8 -44,-2.0 -42,-2.5 -2,-0.3 2,-0.6 -0.944 16.4-145.8-109.9 139.4 25.0 -0.9 40.0 101 105 A F E -Bc 48 58A 3 -53,-2.8 -53,-3.4 -2,-0.4 2,-0.7 -0.923 6.7-155.7 -96.9 118.8 25.2 1.5 42.9 102 106 A Y E -Bc 47 59A 22 -44,-3.0 -42,-3.3 -2,-0.6 2,-0.6 -0.880 17.0-171.2 -87.9 118.0 25.3 -0.1 46.3 103 107 A V E -Bc 46 60A 0 -57,-3.1 -57,-2.8 -2,-0.7 -42,-0.2 -0.954 13.8-167.4-116.5 115.9 24.0 2.5 48.7 104 108 A L E - c 0 61A 0 -44,-2.8 -42,-2.3 -2,-0.6 3,-0.2 -0.865 7.0-165.3-102.0 102.5 24.2 1.8 52.4 105 109 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.854 72.2 6.0 -62.3 -39.7 22.0 4.5 53.9 106 110 A V + 0 0 2 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.901 55.3 175.0-148.0 114.8 23.2 4.2 57.5 107 111 A L S S+ 0 0 0 -45,-1.8 2,-1.6 -2,-0.3 3,-0.2 0.948 82.9 46.5 -81.9 -54.1 26.0 2.1 58.8 108 112 A N > + 0 0 1 -45,-2.1 4,-1.7 1,-0.2 -1,-0.2 -0.545 67.4 158.2 -91.8 72.4 26.2 3.1 62.4 109 113 A I H > + 0 0 0 -2,-1.6 4,-2.7 -3,-0.3 5,-0.2 0.883 68.4 56.2 -65.2 -39.9 22.5 2.9 63.2 110 114 A D H > S+ 0 0 3 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 109.8 45.2 -62.7 -43.5 22.8 2.5 66.9 111 115 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 110.4 55.1 -66.6 -34.9 24.8 5.7 67.2 112 116 A Y H X S+ 0 0 1 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.930 106.9 49.4 -66.4 -44.3 22.3 7.5 65.0 113 117 A I H >X S+ 0 0 54 -4,-2.7 4,-1.4 1,-0.2 3,-0.8 0.925 108.5 54.9 -56.8 -42.9 19.5 6.5 67.2 114 118 A Y H 3X>S+ 0 0 29 -4,-1.9 4,-2.9 1,-0.3 5,-2.3 0.889 103.5 53.9 -61.3 -37.4 21.5 7.8 70.2 115 119 A T H 3<5S+ 0 0 7 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.745 111.4 47.4 -68.5 -21.0 21.9 11.2 68.5 116 120 A W H <<5S+ 0 0 94 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.714 125.0 27.3 -86.2 -23.3 18.1 11.4 68.2 117 121 A T H <5S- 0 0 89 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.784 135.1 -0.2-111.0 -36.0 17.4 10.3 71.7 118 122 A K T <5S+ 0 0 74 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.2 0.711 122.3 22.3-129.7 -40.4 20.2 11.2 74.1 119 123 A N > < - 0 0 29 -5,-2.3 3,-2.3 1,-0.1 -1,-0.1 -0.799 46.4-165.6-150.9 97.6 23.2 13.0 72.7 120 124 A R T 3 S+ 0 0 57 -2,-0.3 -5,-0.1 1,-0.3 -1,-0.1 0.716 93.1 54.2 -56.3 -23.2 23.2 14.9 69.4 121 125 A M T 3 S+ 0 0 84 -53,-0.0 -1,-0.3 156,-0.0 -54,-0.2 0.274 76.2 126.8-100.9 11.8 27.0 14.9 69.3 122 126 A W < + 0 0 10 -3,-2.3 -55,-0.9 1,-0.1 -7,-0.1 -0.382 24.6 166.8 -63.7 145.4 27.5 11.2 69.7 123 127 A R + 0 0 24 -57,-0.2 -57,-1.4 2,-0.1 -1,-0.1 0.631 44.9 75.0-128.9 -33.2 29.8 9.7 67.0 124 128 A K S S- 0 0 0 1,-0.2 14,-0.2 -59,-0.2 -58,-0.2 0.002 85.2 -90.2 -75.9 179.5 30.8 6.2 67.9 125 129 A T - 0 0 0 12,-2.6 -1,-0.2 -15,-0.1 -2,-0.1 -0.075 35.5-121.0 -68.4-173.0 28.9 2.9 67.9 126 130 A R + 0 0 33 10,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.038 61.6 133.5-125.4 26.4 27.1 1.9 71.1 127 131 A S - 0 0 7 10,-0.1 9,-2.8 1,-0.1 2,-0.1 -0.404 57.2-111.1 -73.5 153.6 28.7 -1.4 71.9 128 132 A T - 0 0 100 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.413 26.4-142.2 -78.7 160.6 29.9 -2.2 75.4 129 133 A N > - 0 0 20 3,-0.5 3,-1.3 5,-0.4 5,-0.0 -0.985 21.1-106.7-128.7 138.2 33.6 -2.5 76.3 130 134 A A T 3 S+ 0 0 105 -2,-0.4 3,-0.1 1,-0.2 4,-0.1 -0.343 98.2 10.5 -63.1 136.5 35.3 -4.9 78.7 131 135 A G T 3 S+ 0 0 92 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.553 118.7 64.8 82.2 8.6 36.5 -3.6 82.0 132 136 A T S < S- 0 0 41 -3,-1.3 -3,-0.5 2,-0.1 -1,-0.1 -0.987 71.7-131.8-158.0 158.5 34.8 -0.2 81.7 133 137 A T S S+ 0 0 64 205,-0.4 206,-0.1 -2,-0.3 -1,-0.1 0.566 72.7 115.8 -89.0 -12.0 31.4 1.6 81.6 134 138 A b - 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