==== 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 2PJC . 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) . 34249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 632 69.3 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 . 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 . 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 . 92 10.1 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 . 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 0 112 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 97.2 6.7 9.2 57.2 2 7 A H - 0 0 53 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.607 360.0-179.5 -78.1 139.3 9.9 9.2 55.2 3 8 A S > - 0 0 42 -2,-0.3 3,-1.1 3,-0.2 5,-0.0 -0.994 29.0-147.6-139.1 138.4 11.1 12.4 53.6 4 9 A Y T 3 S+ 0 0 41 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.663 102.4 51.8 -76.0 -15.7 14.2 13.0 51.5 5 10 A E T 3 S+ 0 0 95 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.123 106.3 60.7-109.2 20.5 14.5 16.6 52.9 6 11 A K S < S- 0 0 102 -3,-1.1 2,-0.4 276,-0.1 -3,-0.2 -0.951 91.2-103.9-131.0 160.7 14.3 15.6 56.6 7 12 A Y - 0 0 15 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.727 41.4-151.1 -80.8 131.1 16.6 13.4 58.7 8 13 A N - 0 0 9 -2,-0.4 -6,-0.1 -4,-0.1 63,-0.0 -0.843 9.9-121.4-109.5 140.2 14.8 10.1 59.2 9 14 A N > - 0 0 47 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.240 36.5-101.2 -71.4 167.6 15.2 7.7 62.2 10 15 A W H > S+ 0 0 11 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.860 121.6 58.5 -62.5 -37.0 16.4 4.2 61.5 11 16 A E H > S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 112.1 42.4 -56.7 -42.6 12.9 2.7 61.8 12 17 A T H > S+ 0 0 20 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.883 113.4 50.0 -73.1 -41.5 11.9 5.0 58.9 13 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.925 111.2 50.5 -63.9 -42.0 15.1 4.5 56.9 14 19 A E H X S+ 0 0 59 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.936 110.4 47.8 -60.7 -47.8 14.7 0.7 57.2 15 20 A A H X S+ 0 0 59 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.873 110.8 55.0 -60.7 -35.5 11.0 0.8 56.1 16 21 A W H X S+ 0 0 5 -4,-2.0 4,-3.2 2,-0.2 5,-0.4 0.891 101.5 55.1 -64.8 -41.7 12.2 3.0 53.2 17 22 A T H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.886 112.6 44.9 -60.7 -36.4 14.8 0.5 52.0 18 23 A K H X S+ 0 0 113 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.938 117.0 44.1 -70.1 -47.5 12.0 -2.1 51.8 19 24 A Q H X S+ 0 0 107 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.941 112.4 48.8 -65.9 -49.8 9.6 0.3 50.1 20 25 A V H X S+ 0 0 5 -4,-3.2 4,-0.6 1,-0.2 -1,-0.2 0.860 115.3 46.7 -62.8 -33.7 12.0 1.9 47.6 21 26 A T H >< S+ 0 0 20 -4,-1.2 3,-0.9 -5,-0.4 7,-0.3 0.929 111.1 50.8 -70.2 -46.9 13.1 -1.6 46.6 22 27 A S H 3< S+ 0 0 72 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.875 113.6 46.0 -57.7 -38.6 9.6 -3.0 46.3 23 28 A E H 3< S+ 0 0 123 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.590 123.4 33.5 -84.2 -10.9 8.6 -0.1 44.1 24 29 A N XX + 0 0 35 -3,-0.9 3,-2.3 -4,-0.6 4,-2.2 -0.255 64.0 147.9-140.2 50.9 11.7 -0.3 41.9 25 30 A P T 34 S+ 0 0 90 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.692 73.7 61.8 -64.0 -18.9 12.7 -4.0 41.6 26 31 A D T 34 S+ 0 0 87 1,-0.1 3,-0.1 -3,-0.1 -5,-0.0 0.423 119.8 25.0 -86.4 2.2 14.0 -3.5 38.1 27 32 A L T <4 S+ 0 0 9 -3,-2.3 21,-2.7 1,-0.3 2,-0.4 0.481 121.8 47.2-134.7 -17.3 16.6 -1.0 39.5 28 33 A I E < -A 47 0A 6 -4,-2.2 2,-0.4 -7,-0.3 -1,-0.3 -0.993 47.1-178.7-135.7 134.5 17.1 -2.0 43.1 29 34 A S E -A 46 0A 48 17,-1.5 17,-3.0 -2,-0.4 2,-0.5 -0.996 18.4-148.3-123.6 142.1 17.7 -5.2 45.1 30 35 A R E +A 45 0A 71 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.915 21.8 165.9-110.0 128.1 18.1 -5.2 48.8 31 36 A T E -A 44 0A 71 13,-2.4 13,-3.2 -2,-0.5 2,-0.5 -0.924 31.8-128.4-129.0 159.7 20.3 -7.6 50.7 32 37 A A E -A 43 0A 59 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.939 13.8-168.6-106.0 132.3 21.5 -7.6 54.3 33 38 A I E - 0 0 33 9,-2.7 2,-0.3 -2,-0.5 10,-0.1 0.336 63.7 -45.4-102.8 7.3 25.3 -8.1 54.7 34 39 A G E - 0 0 27 8,-0.3 8,-2.7 5,-0.0 2,-0.3 -0.916 61.7 -82.5 155.8 179.9 25.2 -8.7 58.4 35 40 A T E -A 41 0A 56 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.871 35.5-122.0-114.9 152.7 23.9 -7.5 61.8 36 41 A T > - 0 0 0 4,-2.5 3,-1.6 -2,-0.3 71,-0.1 -0.217 41.1 -91.3 -77.5 177.5 25.1 -4.7 64.0 37 42 A F T 3 S+ 0 0 85 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.889 130.6 46.2 -56.5 -40.1 26.2 -5.2 67.6 38 43 A L T 3 S- 0 0 102 88,-0.0 -1,-0.3 1,-0.0 88,-0.0 0.235 125.3-100.7 -91.9 13.1 22.6 -4.5 68.7 39 44 A G S < S+ 0 0 46 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.684 70.8 146.4 83.8 17.9 21.1 -6.8 66.1 40 45 A N - 0 0 39 1,-0.1 -4,-2.5 2,-0.0 2,-0.5 -0.575 53.8-103.6 -85.1 155.8 20.0 -4.2 63.5 41 46 A N E -A 35 0A 62 -6,-0.2 2,-1.4 -2,-0.2 -6,-0.2 -0.674 19.7-144.5 -90.3 121.6 20.1 -5.2 59.8 42 47 A I E - 0 0 0 -8,-2.7 -9,-2.7 -2,-0.5 -8,-0.3 -0.647 27.4-160.2 -84.4 91.2 22.9 -3.8 57.7 43 48 A Y E -A 32 0A 16 -2,-1.4 2,-0.4 -11,-0.2 62,-0.4 -0.422 12.1-166.0 -76.5 145.1 21.1 -3.3 54.4 44 49 A L E -A 31 0A 3 -13,-3.2 -13,-2.4 59,-0.2 2,-0.6 -0.998 8.0-152.7-129.0 127.0 22.9 -3.0 51.1 45 50 A L E -AB 30 102A 0 57,-3.2 57,-3.2 -2,-0.4 2,-0.9 -0.890 3.2-153.2-102.5 119.9 21.1 -1.7 48.1 46 51 A K E -AB 29 101A 84 -17,-3.0 -17,-1.5 -2,-0.6 2,-0.6 -0.832 18.8-167.6 -90.9 107.2 22.3 -2.8 44.7 47 52 A V E +AB 28 100A 0 53,-3.3 53,-3.2 -2,-0.9 2,-0.2 -0.865 37.3 78.5-104.4 122.3 21.3 -0.0 42.4 48 53 A G S S- 0 0 3 -21,-2.7 48,-0.2 -2,-0.6 51,-0.1 -0.844 85.9 -69.6 159.8 161.5 21.5 -0.6 38.6 49 54 A K - 0 0 58 46,-2.4 -22,-0.1 49,-0.4 -23,-0.1 -0.703 66.8-112.8 -75.9 115.3 19.9 -2.3 35.6 50 55 A P + 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.141 57.1 133.7 -59.1 144.7 20.4 -6.0 36.4 51 56 A G - 0 0 41 3,-0.0 3,-0.5 46,-0.0 2,-0.1 -0.956 53.5 -72.0-175.9 166.8 22.7 -8.0 34.2 52 57 A P S S- 0 0 108 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.420 100.6 -4.1 -77.6 150.2 25.6 -10.5 34.3 53 58 A N S S+ 0 0 162 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 0.839 80.4 172.7 32.5 63.7 29.2 -9.6 35.3 54 59 A K - 0 0 22 -3,-0.5 44,-0.2 1,-0.0 -1,-0.2 -0.756 31.8-122.0 -92.4 141.8 28.7 -5.9 35.8 55 60 A P - 0 0 33 0, 0.0 44,-2.1 0, 0.0 2,-0.3 -0.320 36.0-148.8 -68.2 167.6 31.5 -3.7 37.3 56 61 A A E -cd 99 185A 0 128,-3.0 130,-3.4 42,-0.2 131,-0.7 -0.963 21.4-147.6-143.8 153.8 30.6 -1.9 40.5 57 62 A I E -cd 100 187A 0 42,-2.5 44,-2.8 -2,-0.3 2,-0.5 -0.996 22.8-147.6-118.1 130.9 31.1 1.3 42.6 58 63 A F E +cd 101 188A 0 129,-2.8 131,-2.9 -2,-0.4 2,-0.4 -0.863 20.7 173.2-101.9 127.0 30.8 0.9 46.3 59 64 A M E -cd 102 189A 1 42,-3.1 44,-2.8 -2,-0.5 2,-0.3 -0.998 5.2-175.8-132.4 132.0 29.4 3.8 48.4 60 65 A D E -cd 103 190A 0 129,-2.1 131,-2.6 -2,-0.4 2,-0.3 -0.897 3.7-170.8-121.9 158.1 28.6 3.9 52.1 61 66 A a E + d 0 191A 0 42,-2.3 45,-1.8 -2,-0.3 46,-0.2 -0.910 60.8 43.3-132.3 164.2 27.1 6.5 54.4 62 67 A G + 0 0 0 129,-0.6 45,-2.2 -2,-0.3 49,-0.2 0.765 54.0 141.8 73.9 25.4 26.6 6.7 58.2 63 68 A F S S+ 0 0 0 128,-0.5 2,-0.5 43,-0.2 47,-0.1 0.938 75.2 46.6 -54.0 -47.9 30.0 5.4 59.3 64 69 A H S > S- 0 0 5 1,-0.1 3,-1.5 3,-0.1 59,-0.2 -0.879 83.3-140.9-109.4 128.0 29.7 8.1 62.1 65 70 A A T 3 S+ 0 0 0 57,-1.7 57,-0.2 -2,-0.5 -1,-0.1 0.828 96.0 47.6 -57.4 -43.7 26.5 8.4 64.0 66 71 A R T 3 S+ 0 0 36 55,-1.0 2,-1.8 1,-0.2 -1,-0.3 0.537 84.8 92.7 -80.4 -6.8 26.3 12.2 64.3 67 72 A E X> + 0 0 4 -3,-1.5 3,-1.7 1,-0.2 4,-0.8 -0.445 50.0 165.8 -88.8 67.3 27.0 12.9 60.7 68 73 A W H 3> + 0 0 28 -2,-1.8 4,-1.9 207,-0.4 -1,-0.2 0.710 64.7 64.1 -61.5 -27.6 23.3 13.0 59.7 69 74 A I H 3> S+ 0 0 0 206,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.797 97.3 60.3 -69.8 -24.3 23.8 14.6 56.3 70 75 A S H <> S+ 0 0 0 -3,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.963 105.3 45.3 -62.6 -53.2 25.7 11.5 55.2 71 76 A H H X S+ 0 0 0 -4,-0.8 4,-1.4 1,-0.2 -2,-0.2 0.907 111.9 54.9 -56.6 -41.7 22.8 9.2 55.8 72 77 A A H X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.889 103.5 55.4 -60.5 -40.2 20.6 11.7 54.1 73 78 A F H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.918 102.2 53.6 -64.2 -43.9 22.8 11.7 51.0 74 79 A a H X S+ 0 0 0 -4,-1.7 4,-1.7 30,-0.2 -1,-0.2 0.890 111.2 47.5 -58.8 -37.8 22.7 7.9 50.4 75 80 A Q H X S+ 0 0 4 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.930 111.9 50.1 -66.9 -43.3 18.9 8.1 50.4 76 81 A W H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.892 108.3 53.2 -60.6 -42.2 18.9 11.1 48.1 77 82 A F H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.900 105.9 53.1 -60.4 -43.4 21.2 9.3 45.6 78 83 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.899 109.5 47.6 -64.4 -41.9 19.0 6.3 45.4 79 84 A R H X S+ 0 0 63 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.930 110.1 52.4 -63.9 -45.0 15.9 8.3 44.5 80 85 A E H X S+ 0 0 43 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.920 109.9 51.1 -55.6 -44.3 17.9 10.3 41.9 81 86 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.948 115.3 39.2 -57.1 -53.7 19.0 7.0 40.4 82 87 A V H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.871 118.1 47.5 -71.4 -36.1 15.5 5.5 40.1 83 88 A L H < S+ 0 0 110 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.873 118.5 37.7 -72.3 -37.6 13.7 8.7 39.0 84 89 A T H >X S+ 0 0 32 -4,-2.2 3,-2.2 -5,-0.3 4,-2.2 0.509 81.9 119.3 -98.0 -5.8 16.1 9.7 36.3 85 90 A Y T 3< S+ 0 0 51 -4,-1.1 4,-0.1 1,-0.3 7,-0.0 -0.427 84.0 19.0 -61.9 130.3 17.0 6.3 34.8 86 91 A G T 34 S+ 0 0 48 2,-0.4 -1,-0.3 -2,-0.2 3,-0.1 0.288 126.8 55.6 94.2 -9.8 16.0 6.3 31.2 87 92 A Y T <4 S+ 0 0 205 -3,-2.2 2,-0.5 1,-0.3 -2,-0.2 0.726 93.5 57.9-120.6 -53.1 15.8 10.1 31.0 88 93 A E S X S- 0 0 53 -4,-2.2 4,-2.2 1,-0.1 -2,-0.4 -0.764 77.5-144.3 -84.7 124.9 19.1 11.6 32.0 89 94 A S H > S+ 0 0 83 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.862 91.9 50.1 -65.5 -39.8 21.7 10.1 29.7 90 95 A H H > S+ 0 0 83 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.957 113.0 43.8 -64.0 -52.6 24.6 9.8 32.1 91 96 A M H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.886 112.6 54.8 -62.1 -36.6 22.6 8.1 34.9 92 97 A T H X S+ 0 0 26 -4,-2.2 4,-1.6 -8,-0.2 -1,-0.2 0.951 111.6 43.3 -61.0 -48.6 21.0 5.8 32.3 93 98 A E H X S+ 0 0 70 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.908 112.3 54.8 -60.8 -43.6 24.4 4.8 31.0 94 99 A F H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.941 112.0 41.3 -56.2 -51.8 25.8 4.4 34.6 95 100 A L H < S+ 0 0 0 -4,-2.6 -46,-2.4 1,-0.2 -1,-0.2 0.750 114.6 53.2 -73.6 -23.9 23.1 2.0 35.7 96 101 A N H < S+ 0 0 73 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.901 118.5 33.8 -72.4 -41.6 23.2 0.1 32.4 97 102 A K H < S+ 0 0 106 -4,-2.5 2,-0.3 -5,-0.1 -2,-0.2 0.782 126.1 12.7 -89.6 -31.0 26.9 -0.5 32.6 98 103 A L < - 0 0 3 -4,-2.6 2,-0.4 -5,-0.3 -49,-0.4 -0.858 65.8-116.6-139.5 173.9 27.6 -0.9 36.3 99 104 A D E - c 0 56A 9 -44,-2.1 -42,-2.5 -2,-0.3 2,-0.6 -0.915 16.1-143.4-110.0 141.6 26.0 -1.4 39.7 100 105 A F E -Bc 47 57A 2 -53,-3.2 -53,-3.3 -2,-0.4 2,-0.9 -0.940 10.7-153.6 -95.8 119.3 26.1 1.1 42.6 101 106 A Y E -Bc 46 58A 20 -44,-2.8 -42,-3.1 -2,-0.6 2,-0.6 -0.860 19.6-170.2 -87.8 107.7 26.4 -0.9 45.9 102 107 A V E -Bc 45 59A 0 -57,-3.2 -57,-3.2 -2,-0.9 -42,-0.2 -0.905 16.2-170.2-108.4 116.6 24.9 1.7 48.3 103 108 A L E - c 0 60A 0 -44,-2.8 -42,-2.3 -2,-0.6 3,-0.2 -0.869 8.1-168.2-104.3 98.6 25.1 1.0 52.0 104 109 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.820 71.1 10.4 -66.1 -36.5 22.8 3.6 53.4 105 110 A V + 0 0 1 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.896 56.3 172.4-145.1 114.7 23.8 3.3 57.1 106 111 A L S S+ 0 0 0 -45,-1.8 2,-1.6 -2,-0.3 3,-0.2 0.951 81.5 46.0 -80.7 -56.8 26.7 1.4 58.4 107 112 A N > + 0 0 0 -45,-2.2 4,-1.9 1,-0.2 -1,-0.2 -0.560 67.5 157.0 -91.4 73.6 26.8 2.4 62.0 108 113 A I H > + 0 0 0 -2,-1.6 4,-2.7 -3,-0.3 5,-0.2 0.882 67.8 56.0 -67.2 -40.7 23.1 1.9 62.7 109 114 A D H > S+ 0 0 3 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 110.3 44.9 -62.7 -43.7 23.4 1.4 66.5 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.914 111.1 53.9 -64.6 -42.2 25.2 4.7 66.9 111 116 A Y H X S+ 0 0 1 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.910 107.0 50.9 -60.6 -43.0 22.7 6.5 64.6 112 117 A I H >X S+ 0 0 52 -4,-2.7 4,-2.1 1,-0.2 3,-0.8 0.901 107.5 55.1 -59.7 -38.0 19.8 5.3 66.7 113 118 A Y H 3X>S+ 0 0 26 -4,-1.6 4,-2.6 1,-0.3 5,-2.3 0.835 100.9 57.2 -67.3 -31.8 21.6 6.6 69.8 114 119 A T H 3<5S+ 0 0 6 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.728 112.2 43.8 -70.2 -19.4 21.9 10.1 68.3 115 120 A W H <<5S+ 0 0 96 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.829 123.4 32.7 -88.6 -36.6 18.1 10.0 68.0 116 121 A T H <5S- 0 0 94 -4,-2.1 -2,-0.2 2,-0.1 -3,-0.2 0.788 136.9 -8.3 -94.3 -30.4 17.3 8.6 71.4 117 122 A K T <5S+ 0 0 72 -4,-2.6 2,-0.5 -5,-0.2 -3,-0.2 0.669 120.7 26.8-134.5 -57.3 20.0 9.9 73.7 118 123 A N > < - 0 0 23 -5,-2.3 3,-1.7 1,-0.1 -1,-0.1 -0.917 45.3-167.0-136.0 107.4 23.1 11.7 72.5 119 124 A R T 3 S+ 0 0 54 -2,-0.5 -5,-0.1 1,-0.3 -1,-0.1 0.716 91.1 54.3 -66.4 -22.7 23.1 13.8 69.2 120 125 A M T 3 S+ 0 0 83 -53,-0.0 -1,-0.3 -55,-0.0 -54,-0.2 0.260 76.0 131.8 -99.6 11.4 26.9 14.0 69.3 121 126 A W < + 0 0 11 -3,-1.7 -55,-1.0 1,-0.1 -7,-0.1 -0.359 25.3 171.7 -62.8 146.4 27.6 10.3 69.5 122 127 A R + 0 0 18 -57,-0.2 -57,-1.7 2,-0.1 -1,-0.1 0.709 46.4 64.4-122.1 -49.0 30.2 9.1 67.0 123 128 A K S S- 0 0 1 -59,-0.2 14,-0.2 1,-0.2 -58,-0.2 0.120 86.0 -85.3 -80.5-174.6 31.2 5.5 67.6 124 129 A T - 0 0 0 12,-2.2 -1,-0.2 -14,-0.1 -2,-0.1 -0.062 37.1-119.3 -72.5-171.2 29.4 2.2 67.5 125 130 A R + 0 0 43 10,-0.1 2,-0.1 9,-0.1 -1,-0.1 0.071 62.6 133.3-122.7 24.4 27.5 1.0 70.6 126 131 A S - 0 0 4 10,-0.1 9,-2.9 1,-0.1 2,-0.1 -0.397 56.6-113.5 -73.2 151.5 29.4 -2.3 71.4 127 132 A T - 0 0 94 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.410 23.9-142.3 -79.5 161.1 30.5 -3.0 74.9 128 133 A N > - 0 0 23 5,-0.5 3,-1.4 3,-0.5 5,-0.0 -0.993 21.2-110.0-129.2 134.9 34.1 -3.2 75.9 129 134 A A T 3 S+ 0 0 105 -2,-0.4 3,-0.1 1,-0.2 4,-0.1 -0.310 98.1 13.9 -62.2 139.7 35.7 -5.6 78.4 130 135 A G T 3 S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.539 117.5 66.1 79.0 6.8 36.8 -4.2 81.7 131 136 A T S < S- 0 0 37 -3,-1.4 -3,-0.5 2,-0.1 -1,-0.1 -0.989 71.6-132.1-154.0 160.2 35.0 -0.8 81.4 132 137 A T S S+ 0 0 57 205,-0.5 206,-0.1 -2,-0.3 -1,-0.1 0.598 74.1 115.1 -85.3 -12.7 31.6 0.8 81.3 133 138 A b - 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