==== 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 2PJ7 . COMPND 2 MOLECULE: CARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.ADLER,M.WHITLOW . 912 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 636 69.7 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 . 57 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 31.6 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 0 3 0 3 0 0 3 0 3 1 2 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 . 2 1 6 0 0 2 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 . 1 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 0 113 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 174.3 6.8 8.9 57.6 2 7 A H + 0 0 47 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.605 360.0 177.8 -85.6 138.5 9.9 9.3 55.4 3 8 A S > - 0 0 45 -2,-0.3 3,-1.1 3,-0.2 5,-0.0 -0.994 27.8-147.3-136.7 138.9 11.0 12.6 53.9 4 9 A Y T 3 S+ 0 0 43 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.637 102.1 52.1 -76.1 -13.7 14.1 13.3 51.8 5 10 A E T 3 S+ 0 0 93 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.122 106.2 62.2-109.7 20.9 14.4 16.8 53.2 6 11 A K S < S- 0 0 102 -3,-1.1 2,-0.4 276,-0.1 -3,-0.2 -0.956 90.2-103.7-132.0 159.9 14.3 15.7 56.8 7 12 A Y - 0 0 17 -2,-0.3 2,-0.4 -5,-0.1 62,-0.1 -0.720 41.3-151.5 -79.8 130.7 16.5 13.6 59.0 8 13 A N - 0 0 11 -2,-0.4 -6,-0.1 -4,-0.1 63,-0.0 -0.840 9.0-123.8-109.0 138.2 14.8 10.2 59.5 9 14 A N > - 0 0 38 -2,-0.4 4,-2.6 1,-0.1 3,-0.4 -0.270 36.5 -99.3 -73.4 168.2 15.1 7.9 62.5 10 15 A W H > S+ 0 0 4 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.868 121.6 56.9 -59.6 -40.4 16.2 4.3 61.9 11 16 A E H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 112.9 43.2 -57.0 -40.5 12.7 2.8 62.1 12 17 A T H > S+ 0 0 33 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.905 114.0 48.2 -73.2 -44.1 11.8 5.2 59.2 13 18 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.931 111.4 52.7 -61.9 -42.8 15.0 4.6 57.2 14 19 A E H X S+ 0 0 61 -4,-3.6 4,-1.3 1,-0.2 -2,-0.2 0.941 110.7 45.1 -57.9 -49.1 14.5 0.9 57.6 15 20 A A H X S+ 0 0 60 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.849 110.6 57.3 -64.5 -32.4 11.0 1.0 56.3 16 21 A W H X S+ 0 0 1 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.899 100.8 54.6 -63.8 -42.6 12.2 3.2 53.5 17 22 A T H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.858 112.5 45.4 -61.1 -33.8 14.7 0.6 52.4 18 23 A K H X S+ 0 0 111 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.923 117.0 43.5 -73.2 -45.5 11.9 -1.9 52.1 19 24 A Q H X S+ 0 0 86 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.933 112.0 49.8 -67.4 -47.8 9.5 0.5 50.3 20 25 A V H X S+ 0 0 4 -4,-3.2 4,-0.5 1,-0.2 -1,-0.2 0.871 115.4 46.1 -65.0 -33.5 11.9 2.0 47.9 21 26 A T H >< S+ 0 0 22 -4,-1.0 3,-0.9 -5,-0.4 7,-0.3 0.926 111.2 50.5 -70.4 -47.5 13.0 -1.5 46.9 22 27 A S H 3< S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.853 113.2 47.8 -58.6 -34.5 9.5 -2.8 46.6 23 28 A E H 3< S+ 0 0 122 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.596 122.8 32.4 -85.2 -11.5 8.6 0.2 44.4 24 29 A N XX + 0 0 35 -3,-0.9 3,-2.3 -4,-0.5 4,-2.0 -0.280 63.1 150.2-140.8 52.0 11.6 -0.2 42.2 25 30 A P T 34 S+ 0 0 93 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.708 74.7 61.1 -62.7 -17.8 12.5 -3.9 41.9 26 31 A D T 34 S+ 0 0 88 1,-0.1 3,-0.1 -3,-0.1 -5,-0.0 0.471 119.2 25.9 -86.8 -0.5 14.0 -3.4 38.4 27 32 A L T <4 S+ 0 0 9 -3,-2.3 21,-2.7 1,-0.3 2,-0.4 0.471 122.0 44.4-132.4 -14.3 16.6 -0.9 39.8 28 33 A I E < -A 47 0A 6 -4,-2.0 2,-0.4 -7,-0.3 -1,-0.3 -0.998 47.4-179.2-140.7 136.7 17.1 -2.0 43.4 29 34 A S E -A 46 0A 48 17,-1.4 17,-2.7 -2,-0.4 2,-0.5 -0.985 19.5-144.9-126.8 146.0 17.6 -5.1 45.4 30 35 A R E +A 45 0A 74 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.923 21.6 168.0-112.6 132.7 18.0 -5.2 49.2 31 36 A T E -A 44 0A 70 13,-2.4 13,-3.1 -2,-0.5 2,-0.5 -0.954 30.8-128.9-131.5 157.0 20.2 -7.5 51.2 32 37 A A E -A 43 0A 60 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.915 15.9-171.7-101.6 132.6 21.3 -7.6 54.8 33 38 A I E - 0 0 35 9,-2.7 2,-0.3 -2,-0.5 10,-0.1 0.436 62.3 -42.4-104.9 -0.9 25.1 -8.0 55.2 34 39 A G E -A 42 0A 27 8,-0.5 8,-2.9 140,-0.0 2,-0.3 -0.958 60.2 -86.6 165.2-177.5 25.1 -8.5 58.9 35 40 A T E -A 41 0A 54 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.899 33.6-123.2-118.1 152.3 23.8 -7.3 62.3 36 41 A T > - 0 0 0 4,-2.4 3,-1.6 -2,-0.3 71,-0.1 -0.223 41.2 -91.2 -79.9 177.4 25.0 -4.6 64.6 37 42 A F T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 90,-0.0 0.893 129.6 45.6 -58.6 -39.4 26.1 -5.1 68.2 38 43 A L T 3 S- 0 0 103 88,-0.0 -1,-0.3 1,-0.0 88,-0.0 0.243 125.3 -99.1 -93.1 12.2 22.5 -4.4 69.3 39 44 A G S < S+ 0 0 47 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.642 70.7 146.2 89.3 14.6 20.9 -6.6 66.7 40 45 A N - 0 0 37 1,-0.1 -4,-2.4 2,-0.0 2,-0.5 -0.559 52.9-107.8 -81.7 152.6 19.9 -4.0 64.0 41 46 A N E -A 35 0A 62 -6,-0.2 2,-1.1 -2,-0.2 -6,-0.2 -0.693 19.4-141.8 -89.0 126.5 20.0 -5.2 60.4 42 47 A I E -A 34 0A 0 -8,-2.9 -9,-2.7 -2,-0.5 -8,-0.5 -0.728 26.9-158.1 -89.0 99.3 22.8 -3.7 58.2 43 48 A Y E -A 32 0A 16 -2,-1.1 2,-0.4 62,-0.2 62,-0.4 -0.489 12.6-166.2 -83.8 146.3 21.1 -3.2 54.9 44 49 A L E -A 31 0A 4 -13,-3.1 -13,-2.4 -2,-0.2 2,-0.6 -0.998 7.0-155.0-129.1 128.4 22.8 -2.9 51.5 45 50 A L E -AB 30 102A 0 57,-3.2 57,-3.2 -2,-0.4 2,-0.8 -0.909 4.3-153.4-103.9 123.2 21.0 -1.6 48.5 46 51 A K E -AB 29 101A 94 -17,-2.7 -17,-1.4 -2,-0.6 2,-0.5 -0.862 18.8-167.1 -95.2 108.5 22.3 -2.7 45.1 47 52 A V E +AB 28 100A 0 53,-3.1 53,-2.9 -2,-0.8 2,-0.2 -0.860 38.3 71.4-104.5 125.1 21.2 0.1 42.7 48 53 A G S S- 0 0 3 -21,-2.7 48,-0.2 -2,-0.5 51,-0.1 -0.802 87.0 -63.0 152.2 166.0 21.5 -0.4 39.0 49 54 A K - 0 0 59 46,-2.5 -22,-0.1 49,-0.4 -23,-0.1 -0.701 64.3-112.8 -82.1 116.5 19.9 -2.3 36.1 50 55 A P + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.075 56.0 135.1 -55.8 145.4 20.4 -6.0 36.7 51 56 A G - 0 0 43 2,-0.2 2,-0.1 3,-0.0 46,-0.0 -0.968 55.4 -58.5-179.1 168.6 22.7 -7.9 34.4 52 57 A P S S- 0 0 112 0, 0.0 2,-0.8 0, 0.0 0, 0.0 -0.383 101.3 -28.7 -70.3 134.4 25.6 -10.4 34.2 53 58 A N S S+ 0 0 158 -2,-0.1 -2,-0.2 1,-0.1 131,-0.0 -0.503 77.8 177.4 65.2-105.4 28.8 -9.6 36.1 54 59 A K - 0 0 21 -2,-0.8 44,-0.2 -4,-0.1 -1,-0.1 0.645 31.6-109.5 73.1 126.6 28.8 -5.7 36.1 55 60 A P - 0 0 30 0, 0.0 44,-2.1 0, 0.0 2,-0.3 -0.285 40.2-150.8 -71.5 170.5 31.5 -3.6 37.8 56 61 A A E -cd 99 185A 1 128,-3.1 130,-3.1 42,-0.2 131,-0.7 -0.974 19.8-145.2-146.7 156.0 30.5 -1.7 40.9 57 62 A I E -cd 100 187A 1 42,-2.4 44,-2.9 -2,-0.3 2,-0.5 -0.995 22.6-147.2-118.2 132.3 31.1 1.3 43.0 58 63 A F E +cd 101 188A 0 129,-2.5 131,-2.3 -2,-0.4 2,-0.4 -0.848 19.7 175.1-101.5 132.9 30.7 1.0 46.8 59 64 A M E -cd 102 189A 3 42,-3.0 44,-2.6 -2,-0.5 2,-0.3 -0.993 4.9-174.1-136.4 129.8 29.4 3.9 48.9 60 65 A D E -cd 103 190A 0 129,-2.0 131,-2.4 -2,-0.4 2,-0.3 -0.903 2.7-172.4-119.9 154.5 28.6 4.0 52.6 61 66 A a E + d 0 191A 0 42,-2.3 45,-1.5 -2,-0.3 46,-0.2 -0.885 59.8 45.3-128.3 163.8 27.0 6.6 54.9 62 67 A G + 0 0 0 129,-0.5 45,-2.2 -2,-0.3 49,-0.2 0.765 53.3 140.4 78.1 27.2 26.5 6.8 58.6 63 68 A F S S+ 0 0 0 128,-0.5 2,-0.5 43,-0.2 47,-0.1 0.929 75.4 45.3 -58.4 -48.9 29.9 5.6 59.9 64 69 A H S > S- 0 0 5 1,-0.1 3,-1.6 3,-0.1 -1,-0.2 -0.892 83.7-141.1-107.2 126.1 29.7 8.3 62.6 65 70 A A T 3 S+ 0 0 0 57,-1.6 57,-0.2 -2,-0.5 -1,-0.1 0.820 95.4 47.7 -56.7 -44.2 26.4 8.6 64.4 66 71 A R T 3 S+ 0 0 35 55,-1.0 2,-1.8 1,-0.2 -1,-0.3 0.509 84.8 93.0 -80.0 -4.7 26.1 12.4 64.8 67 72 A E X> + 0 0 5 -3,-1.6 3,-1.9 1,-0.2 4,-0.7 -0.427 50.9 165.3 -88.7 64.6 26.9 13.1 61.2 68 73 A W H 3> + 0 0 26 -2,-1.8 4,-1.9 207,-0.4 -1,-0.2 0.705 63.5 64.7 -62.7 -27.0 23.3 13.1 60.1 69 74 A I H 3> S+ 0 0 1 206,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.801 97.4 60.9 -67.6 -23.6 23.7 14.8 56.7 70 75 A S H <> S+ 0 0 0 -3,-1.9 4,-1.5 2,-0.2 3,-0.3 0.966 104.8 45.0 -62.5 -53.8 25.7 11.7 55.7 71 76 A H H X S+ 0 0 0 -4,-0.7 4,-1.4 1,-0.2 -2,-0.2 0.902 111.4 55.6 -55.6 -42.6 22.8 9.4 56.3 72 77 A A H X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.870 103.0 55.8 -61.4 -36.9 20.6 11.8 54.4 73 78 A F H X S+ 0 0 0 -4,-1.7 4,-3.0 -3,-0.3 -1,-0.2 0.908 101.2 54.0 -67.9 -41.8 22.8 11.8 51.4 74 79 A a H X S+ 0 0 0 -4,-1.5 4,-1.7 30,-0.2 -1,-0.2 0.924 112.4 46.0 -58.9 -41.3 22.7 8.0 50.7 75 80 A Q H X S+ 0 0 3 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.942 112.5 49.9 -63.9 -47.0 18.9 8.2 50.7 76 81 A W H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.902 108.8 54.1 -57.0 -42.2 18.9 11.2 48.5 77 82 A F H X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.887 106.1 51.9 -60.9 -40.9 21.3 9.4 46.1 78 83 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.929 109.5 47.7 -66.7 -45.0 19.0 6.4 45.8 79 84 A R H X S+ 0 0 63 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.938 110.3 53.1 -59.8 -46.0 15.9 8.5 44.9 80 85 A E H X S+ 0 0 44 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.916 109.4 49.6 -52.7 -47.4 18.0 10.4 42.3 81 86 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.922 116.1 40.5 -59.6 -48.1 19.1 7.2 40.7 82 87 A V H < S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.890 115.7 48.4 -73.4 -39.1 15.6 5.7 40.4 83 88 A L H < S+ 0 0 110 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.833 118.4 38.5 -71.4 -32.3 13.7 8.8 39.4 84 89 A T H >X S+ 0 0 30 -4,-1.9 4,-2.6 -5,-0.3 3,-2.3 0.539 80.9 119.5-100.4 -8.0 16.1 9.8 36.6 85 90 A Y T 3< S+ 0 0 45 -4,-1.0 4,-0.1 1,-0.3 5,-0.0 -0.400 85.8 17.2 -58.8 127.5 17.0 6.5 35.1 86 91 A G T 34 S+ 0 0 50 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.182 126.3 58.1 97.6 -16.7 15.9 6.5 31.5 87 92 A Y T <4 S+ 0 0 205 -3,-2.3 2,-0.6 1,-0.2 -2,-0.2 0.750 94.5 57.7-115.4 -41.5 15.6 10.3 31.4 88 93 A E S X S- 0 0 62 -4,-2.6 4,-2.2 1,-0.1 -2,-0.4 -0.866 76.1-143.4 -96.5 123.2 19.0 11.6 32.3 89 94 A S H > S+ 0 0 97 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.851 93.7 46.9 -54.1 -46.0 21.7 10.3 29.9 90 95 A H H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.952 113.3 45.3 -66.8 -52.1 24.5 9.9 32.4 91 96 A M H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.878 111.7 55.4 -60.7 -36.2 22.6 8.1 35.2 92 97 A T H X S+ 0 0 26 -4,-2.2 4,-1.6 -8,-0.2 -1,-0.2 0.950 111.8 41.3 -62.3 -48.2 21.0 5.8 32.6 93 98 A E H X S+ 0 0 90 -4,-2.1 4,-2.4 -5,-0.2 5,-0.3 0.889 113.4 56.0 -66.1 -37.6 24.4 4.7 31.3 94 99 A F H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.956 112.0 40.1 -58.1 -52.5 25.8 4.5 34.9 95 100 A L H < S+ 0 0 0 -4,-2.7 -46,-2.5 1,-0.2 -1,-0.2 0.748 115.3 53.7 -73.3 -22.7 23.0 2.1 36.0 96 101 A N H < S+ 0 0 79 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.887 118.5 33.3 -72.9 -39.3 23.2 0.2 32.8 97 102 A K H < S+ 0 0 97 -4,-2.4 2,-0.3 -5,-0.1 -2,-0.2 0.786 125.6 13.6 -91.8 -31.5 26.9 -0.4 33.0 98 103 A L < - 0 0 3 -4,-2.6 2,-0.4 -5,-0.3 -49,-0.4 -0.861 64.5-119.2-140.5 170.5 27.6 -0.7 36.7 99 104 A D E - c 0 56A 8 -44,-2.1 -42,-2.4 -2,-0.3 2,-0.6 -0.913 15.0-144.3-110.5 143.8 26.0 -1.2 40.1 100 105 A F E -Bc 47 57A 4 -53,-2.9 -53,-3.1 -2,-0.4 2,-0.9 -0.951 10.4-152.8 -97.1 122.6 26.2 1.2 43.1 101 106 A Y E -Bc 46 58A 16 -44,-2.9 -42,-3.0 -2,-0.6 2,-0.6 -0.875 20.8-170.2 -90.9 107.7 26.4 -0.8 46.3 102 107 A V E -Bc 45 59A 1 -57,-3.2 -57,-3.2 -2,-0.9 -42,-0.2 -0.898 17.1-170.5-109.0 122.6 24.8 1.7 48.7 103 108 A L E - c 0 60A 0 -44,-2.6 -42,-2.3 -2,-0.6 3,-0.2 -0.896 7.3-166.8-111.8 99.0 25.0 1.1 52.5 104 109 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.802 72.5 9.5 -63.7 -36.6 22.6 3.8 53.9 105 110 A V + 0 0 0 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.898 55.1 172.5-147.4 118.1 23.7 3.5 57.6 106 111 A L S S+ 0 0 1 -45,-1.5 2,-1.7 -2,-0.3 3,-0.3 0.935 82.0 48.3 -83.9 -55.0 26.6 1.5 58.9 107 112 A N > + 0 0 1 -45,-2.2 4,-2.1 1,-0.2 -1,-0.2 -0.514 67.4 155.9 -90.6 70.4 26.6 2.5 62.6 108 113 A I H > + 0 0 0 -2,-1.7 4,-2.8 -3,-0.3 5,-0.2 0.897 68.0 55.1 -65.1 -43.8 22.9 2.0 63.2 109 114 A D H > S+ 0 0 3 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.898 111.6 44.9 -59.6 -40.6 23.2 1.5 67.0 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 110.7 53.6 -70.4 -40.6 25.0 4.8 67.3 111 116 A Y H X S+ 0 0 1 -4,-2.1 4,-1.0 1,-0.2 3,-0.3 0.921 108.1 50.3 -58.9 -45.6 22.6 6.6 65.1 112 117 A I H >X S+ 0 0 40 -4,-2.8 4,-1.7 1,-0.2 3,-1.0 0.921 107.1 55.3 -58.1 -43.4 19.7 5.4 67.2 113 118 A Y H 3X>S+ 0 0 28 -4,-1.8 4,-2.7 1,-0.3 5,-2.2 0.841 102.3 56.1 -60.5 -33.8 21.4 6.6 70.3 114 119 A T H 3<5S+ 0 0 7 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.751 111.4 44.9 -70.5 -22.3 21.7 10.1 68.7 115 120 A W H <<5S+ 0 0 96 -4,-1.0 -2,-0.2 -3,-1.0 -1,-0.2 0.765 124.7 30.5 -85.0 -29.6 17.9 10.1 68.3 116 121 A T H <5S- 0 0 91 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.734 135.9 -1.8-106.0 -28.7 17.1 8.8 71.8 117 122 A K T <5S+ 0 0 84 -4,-2.7 2,-0.4 -5,-0.2 -3,-0.2 0.678 121.9 19.2-133.5 -53.9 19.8 9.9 74.2 118 123 A N > < - 0 0 27 -5,-2.2 3,-1.9 1,-0.1 -2,-0.1 -0.887 46.3-162.6-142.2 107.8 22.7 12.0 72.9 119 124 A R T 3 S+ 0 0 55 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.697 92.6 54.9 -60.2 -22.5 22.8 13.9 69.7 120 125 A M T 3 S+ 0 0 82 -53,-0.0 -1,-0.3 -55,-0.0 -54,-0.1 0.246 74.3 131.3-101.1 12.1 26.6 14.2 69.7 121 126 A W < + 0 0 16 -3,-1.9 -55,-1.0 1,-0.1 -7,-0.1 -0.366 25.7 172.6 -63.1 147.2 27.4 10.5 70.0 122 127 A R + 0 0 19 -57,-0.2 -57,-1.6 2,-0.1 -1,-0.1 0.706 46.9 64.9-122.3 -47.2 30.0 9.3 67.5 123 128 A K S S- 0 0 0 1,-0.2 14,-0.2 -59,-0.2 -58,-0.2 0.081 86.4 -86.3 -81.7-175.7 31.1 5.7 68.2 124 129 A T - 0 0 1 12,-2.1 -1,-0.2 -14,-0.1 -2,-0.1 -0.053 36.9-119.3 -73.4-170.0 29.3 2.4 68.1 125 130 A R + 0 0 45 10,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.067 62.7 132.6-124.7 23.8 27.4 1.2 71.1 126 131 A S - 0 0 4 10,-0.1 9,-2.9 1,-0.1 2,-0.1 -0.439 57.1-111.6 -77.0 150.3 29.2 -2.1 71.9 127 132 A T B -H 134 0B 93 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.397 23.3-141.9 -78.3 157.6 30.3 -2.8 75.4 128 133 A N > - 0 0 18 5,-0.6 3,-1.5 3,-0.4 5,-0.1 -0.986 22.5-110.4-125.1 130.3 34.0 -2.9 76.5 129 134 A A T 3 S+ 0 0 107 -2,-0.4 3,-0.1 1,-0.2 4,-0.1 -0.267 97.4 11.0 -57.4 134.7 35.5 -5.4 78.9 130 135 A G T 3 S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.514 117.1 70.1 80.8 4.8 36.5 -4.0 82.3 131 136 A T S < S- 0 0 40 -3,-1.5 -3,-0.4 2,-0.2 -1,-0.1 -0.976 71.5-134.0-147.0 161.7 34.9 -0.6 81.9 132 137 A T S S+ 0 0 55 205,-0.5 206,-0.1 -2,-0.3 -1,-0.1 0.588 73.9 114.6 -86.2 -12.7 31.5 1.1 81.8 133 138 A b - 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