==== 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 2PJ2 . 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) . 34248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 630 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 9.8 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 . 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 . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 31.0 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 2 1 0 3 0 0 3 0 3 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 117 0, 0.0 2,-0.2 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 10.1 6.8 9.3 57.7 2 7 A H + 0 0 51 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.556 360.0 173.2 -79.4 139.1 9.8 9.4 55.3 3 8 A S > - 0 0 42 -2,-0.2 3,-1.0 3,-0.2 5,-0.0 -0.981 30.4-149.3-142.0 138.4 11.1 12.6 53.8 4 9 A Y T 3 S+ 0 0 40 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.661 101.0 53.2 -77.1 -16.7 14.2 13.2 51.7 5 10 A E T 3 S+ 0 0 92 2,-0.1 2,-0.3 277,-0.1 -1,-0.2 0.093 107.2 56.8-107.4 21.4 14.4 16.8 53.0 6 11 A K S < S- 0 0 107 -3,-1.0 2,-0.4 276,-0.1 -3,-0.2 -0.958 92.8 -99.7-136.4 162.2 14.3 15.8 56.7 7 12 A Y - 0 0 18 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.1 -0.714 41.3-151.3 -80.9 130.2 16.5 13.6 58.8 8 13 A N - 0 0 11 -2,-0.4 -6,-0.1 60,-0.2 63,-0.0 -0.809 10.2-122.7-105.0 140.8 14.7 10.2 59.3 9 14 A N > - 0 0 46 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.232 35.2-101.0 -73.6 172.1 15.0 7.9 62.3 10 15 A W H > S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.889 122.0 60.6 -65.2 -38.2 16.2 4.3 61.8 11 16 A E H > S+ 0 0 135 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 111.9 40.2 -48.2 -46.3 12.6 3.0 62.0 12 17 A T H > S+ 0 0 16 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.866 113.2 52.2 -78.7 -37.1 11.8 5.2 59.0 13 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.931 109.9 50.3 -64.2 -44.2 14.9 4.5 57.0 14 19 A E H X S+ 0 0 61 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.934 111.4 47.2 -57.9 -49.3 14.5 0.7 57.4 15 20 A A H X S+ 0 0 52 -4,-1.7 4,-2.7 -5,-0.3 -1,-0.2 0.889 111.7 53.8 -58.6 -39.5 10.9 0.9 56.2 16 21 A W H X S+ 0 0 10 -4,-2.2 4,-3.3 2,-0.2 5,-0.4 0.894 102.8 54.2 -64.4 -42.3 12.1 3.1 53.4 17 22 A T H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.905 113.2 45.5 -58.3 -39.3 14.7 0.6 52.3 18 23 A K H X S+ 0 0 134 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.926 117.8 42.1 -67.4 -45.2 11.9 -1.9 52.1 19 24 A Q H X S+ 0 0 103 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.913 111.3 51.4 -72.3 -44.2 9.5 0.4 50.3 20 25 A V H X S+ 0 0 4 -4,-3.3 4,-0.7 1,-0.2 -1,-0.2 0.870 114.4 46.7 -62.7 -33.7 11.9 2.0 47.8 21 26 A T H >< S+ 0 0 25 -4,-1.1 3,-0.7 -5,-0.4 7,-0.2 0.916 110.5 52.4 -72.6 -44.4 12.9 -1.5 46.8 22 27 A S H 3< S+ 0 0 81 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 113.5 43.7 -51.8 -45.7 9.3 -2.6 46.5 23 28 A E H 3< S+ 0 0 120 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.582 123.6 35.3 -83.4 -10.7 8.5 0.3 44.3 24 29 A N XX + 0 0 32 -4,-0.7 3,-2.2 -3,-0.7 4,-2.1 -0.264 63.2 148.3-138.8 50.6 11.6 -0.1 42.1 25 30 A P T 34 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.712 73.8 60.3 -63.8 -19.7 12.4 -3.8 41.8 26 31 A D T 34 S+ 0 0 92 1,-0.1 3,-0.1 -3,-0.1 -5,-0.0 0.364 119.8 26.5 -88.3 5.3 13.8 -3.3 38.3 27 32 A L T <4 S+ 0 0 7 -3,-2.2 21,-3.0 1,-0.3 2,-0.4 0.469 121.0 47.1-136.2 -17.1 16.5 -1.0 39.7 28 33 A I E < -A 47 0A 5 -4,-2.1 2,-0.4 -7,-0.2 -1,-0.3 -0.987 47.8-179.6-139.3 126.8 17.0 -2.0 43.3 29 34 A S E -A 46 0A 57 17,-1.6 17,-2.8 -2,-0.4 2,-0.4 -0.941 19.1-149.7-114.0 149.4 17.5 -5.2 45.2 30 35 A R E +A 45 0A 80 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.963 20.7 163.8-122.5 132.6 17.9 -5.2 49.0 31 36 A T E -A 44 0A 75 13,-2.2 13,-2.8 -2,-0.4 2,-0.5 -0.948 33.8-124.1-135.7 159.8 19.9 -7.6 51.2 32 37 A A E -A 43 0A 58 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.910 16.0-169.6-100.7 133.5 21.2 -7.6 54.7 33 38 A I E - 0 0 37 9,-2.6 2,-0.3 -2,-0.5 10,-0.1 0.383 63.5 -41.6-103.8 3.9 24.9 -8.2 55.0 34 39 A G E - 0 0 27 8,-0.4 8,-2.3 140,-0.0 2,-0.3 -0.958 62.9 -83.7 162.6-177.0 25.0 -8.7 58.8 35 40 A T E -A 41 0A 57 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.920 33.9-122.1-120.3 150.7 23.6 -7.5 62.1 36 41 A T > - 0 0 0 4,-2.3 3,-1.6 -2,-0.3 71,-0.1 -0.204 41.1 -93.0 -76.0 174.4 24.8 -4.7 64.4 37 42 A F T 3 S+ 0 0 86 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.896 129.8 44.7 -55.5 -39.6 25.9 -5.2 68.0 38 43 A L T 3 S- 0 0 104 88,-0.0 -1,-0.3 1,-0.0 88,-0.0 0.228 125.9 -98.3 -97.8 14.1 22.3 -4.5 69.1 39 44 A G S < S+ 0 0 49 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.676 71.1 145.0 89.1 18.4 20.7 -6.6 66.4 40 45 A N - 0 0 37 1,-0.1 -4,-2.3 2,-0.0 2,-0.6 -0.578 54.0-105.8 -86.0 156.0 19.7 -4.1 63.8 41 46 A N E -A 35 0A 58 -6,-0.2 2,-1.3 -2,-0.2 -6,-0.2 -0.717 19.1-143.7 -92.1 121.7 19.9 -5.1 60.1 42 47 A I E - 0 0 0 -8,-2.3 -9,-2.6 -2,-0.6 -8,-0.4 -0.683 28.3-159.3 -83.5 95.0 22.7 -3.7 58.1 43 48 A Y E -A 32 0A 17 -2,-1.3 2,-0.4 -11,-0.2 62,-0.3 -0.446 12.8-166.7 -80.6 147.4 20.9 -3.2 54.7 44 49 A L E -A 31 0A 3 -13,-2.8 -13,-2.2 59,-0.2 2,-0.5 -0.999 7.3-153.5-130.6 132.0 22.7 -2.9 51.4 45 50 A L E -AB 30 102A 0 57,-3.1 57,-3.1 -2,-0.4 2,-0.9 -0.918 4.5-151.9-107.9 126.1 20.9 -1.7 48.3 46 51 A K E -AB 29 101A 76 -17,-2.8 -17,-1.6 -2,-0.5 2,-0.6 -0.857 19.6-166.7 -96.1 106.2 22.1 -2.8 44.9 47 52 A V E +AB 28 100A 0 53,-3.2 53,-3.1 -2,-0.9 2,-0.2 -0.850 38.7 73.0-103.3 121.4 21.1 0.1 42.6 48 53 A G S S- 0 0 3 -21,-3.0 48,-0.2 -2,-0.6 51,-0.1 -0.818 87.0 -66.1 156.8 164.6 21.3 -0.5 38.9 49 54 A K - 0 0 51 46,-2.1 -22,-0.1 49,-0.3 -23,-0.1 -0.708 65.1-112.1 -79.7 118.9 19.7 -2.3 35.9 50 55 A P + 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.145 55.5 138.7 -59.4 140.9 20.3 -6.0 36.6 51 56 A G > - 0 0 41 3,-0.0 3,-0.5 46,-0.0 2,-0.2 -0.976 52.2 -67.0-171.1 167.8 22.6 -7.9 34.3 52 57 A P T 3 S- 0 0 105 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.448 102.0 -15.3 -71.3 137.4 25.4 -10.5 34.1 53 58 A N T 3 S+ 0 0 157 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 0.820 80.9 176.8 37.6 62.2 28.8 -9.8 35.6 54 59 A K < - 0 0 26 -3,-0.5 44,-0.1 1,-0.1 -1,-0.1 -0.707 29.4-120.3 -90.4 144.0 28.6 -6.0 36.1 55 60 A P - 0 0 28 0, 0.0 44,-1.9 0, 0.0 2,-0.3 -0.325 35.9-149.7 -68.2 166.4 31.3 -3.9 37.7 56 61 A A E -cd 99 185A 1 128,-3.4 130,-3.5 42,-0.2 131,-0.7 -0.955 19.5-146.1-141.2 156.1 30.3 -2.0 40.8 57 62 A I E -cd 100 187A 0 42,-2.9 44,-3.2 -2,-0.3 2,-0.5 -0.990 23.1-145.8-117.5 136.3 30.9 1.2 42.9 58 63 A F E +cd 101 188A 0 129,-2.6 131,-2.5 -2,-0.4 2,-0.4 -0.870 20.4 173.2-106.6 132.7 30.5 0.9 46.6 59 64 A M E -cd 102 189A 1 42,-3.3 44,-2.8 -2,-0.5 2,-0.3 -0.990 5.2-175.4-138.5 126.5 29.2 3.8 48.8 60 65 A D E -cd 103 190A 0 129,-1.9 131,-2.2 -2,-0.4 2,-0.3 -0.887 1.7-170.3-117.0 153.2 28.4 3.7 52.5 61 66 A a E + d 0 191A 0 42,-2.5 45,-1.7 -2,-0.3 46,-0.2 -0.875 59.0 43.6-127.0 167.1 26.9 6.3 54.7 62 67 A G + 0 0 0 129,-0.5 45,-2.2 -2,-0.3 49,-0.2 0.750 53.8 142.9 75.6 25.9 26.4 6.6 58.5 63 68 A F S S+ 0 0 0 128,-0.5 2,-0.5 43,-0.2 47,-0.1 0.949 74.9 44.0 -54.6 -50.9 29.8 5.4 59.7 64 69 A H S > S- 0 0 4 1,-0.1 3,-1.6 3,-0.1 59,-0.2 -0.878 83.9-140.1-108.3 129.8 29.6 8.0 62.5 65 70 A A T 3 S+ 0 0 0 57,-1.6 57,-0.2 -2,-0.5 -1,-0.1 0.823 95.5 49.2 -61.8 -43.2 26.3 8.4 64.3 66 71 A R T 3 S+ 0 0 40 55,-1.2 2,-1.6 1,-0.2 -1,-0.3 0.480 84.6 94.0 -76.6 -3.1 26.0 12.2 64.7 67 72 A E X> + 0 0 5 -3,-1.6 3,-2.0 1,-0.2 4,-0.7 -0.389 48.8 163.9 -91.9 62.2 26.8 12.9 61.0 68 73 A W H 3> + 0 0 25 -2,-1.6 4,-2.0 207,-0.4 -1,-0.2 0.699 64.3 63.5 -60.6 -28.3 23.2 13.0 59.9 69 74 A I H 3> S+ 0 0 1 206,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.824 98.5 60.3 -67.1 -25.4 23.6 14.7 56.6 70 75 A S H <> S+ 0 0 0 -3,-2.0 4,-1.6 2,-0.2 3,-0.3 0.963 105.0 45.2 -62.5 -54.7 25.6 11.6 55.6 71 76 A H H X S+ 0 0 0 -4,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.895 112.0 54.9 -52.6 -43.6 22.6 9.3 56.1 72 77 A A H X S+ 0 0 6 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.844 103.0 56.4 -62.1 -35.5 20.5 11.8 54.2 73 78 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.3 -1,-0.2 0.929 103.3 50.8 -66.0 -45.7 22.8 11.8 51.2 74 79 A a H X S+ 0 0 0 -4,-1.6 4,-2.1 30,-0.2 -1,-0.2 0.935 111.7 49.0 -58.5 -45.0 22.6 8.0 50.6 75 80 A Q H X S+ 0 0 3 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.941 112.5 48.5 -56.8 -46.0 18.8 8.2 50.7 76 81 A W H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.883 108.2 54.1 -61.7 -42.5 18.8 11.1 48.3 77 82 A F H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.921 105.8 52.6 -60.6 -45.7 21.2 9.4 45.9 78 83 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.921 110.2 47.1 -60.4 -44.9 18.9 6.4 45.7 79 84 A R H X S+ 0 0 63 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.931 110.6 53.0 -60.8 -43.9 15.9 8.5 44.7 80 85 A E H X S+ 0 0 43 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.928 110.0 48.9 -56.4 -46.9 17.9 10.4 42.2 81 86 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.958 115.8 41.0 -56.1 -55.6 19.0 7.1 40.6 82 87 A V H < S+ 0 0 16 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.866 116.3 47.5 -68.7 -36.3 15.5 5.6 40.3 83 88 A L H < S+ 0 0 104 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.824 118.3 38.7 -76.2 -30.3 13.7 8.8 39.3 84 89 A T H >X S+ 0 0 32 -4,-1.9 4,-2.5 -5,-0.3 3,-2.4 0.584 81.3 119.7 -98.9 -9.9 16.1 9.8 36.5 85 90 A Y T 3< S+ 0 0 53 -4,-1.4 4,-0.1 1,-0.3 7,-0.1 -0.342 85.6 15.2 -57.1 128.2 17.0 6.4 35.0 86 91 A G T 34 S+ 0 0 48 2,-0.4 -1,-0.3 3,-0.1 3,-0.1 0.240 126.6 57.7 92.4 -14.5 15.9 6.4 31.4 87 92 A Y T <4 S+ 0 0 210 -3,-2.4 2,-0.6 1,-0.3 -2,-0.2 0.744 95.5 57.3-113.6 -45.3 15.5 10.2 31.2 88 93 A E S X S- 0 0 54 -4,-2.5 4,-1.9 1,-0.1 -2,-0.4 -0.823 77.0-145.7 -92.1 121.3 18.9 11.6 32.2 89 94 A S H > S+ 0 0 86 -2,-0.6 4,-2.0 1,-0.2 5,-0.2 0.850 91.5 49.5 -60.8 -41.0 21.5 10.2 29.8 90 95 A H H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.956 112.7 44.0 -63.7 -53.0 24.4 10.0 32.3 91 96 A M H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.825 111.6 56.6 -64.6 -28.7 22.6 8.2 35.1 92 97 A T H X S+ 0 0 25 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.932 109.9 43.6 -68.0 -43.7 21.0 5.9 32.5 93 98 A E H X S+ 0 0 73 -4,-2.0 4,-3.1 -5,-0.2 5,-0.3 0.936 112.7 53.9 -63.8 -46.2 24.4 4.8 31.2 94 99 A F H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.929 113.3 40.4 -53.8 -51.8 25.7 4.5 34.8 95 100 A L H < S+ 0 0 0 -4,-2.5 -46,-2.1 1,-0.2 -1,-0.2 0.781 115.7 52.9 -73.3 -26.1 22.9 2.2 35.9 96 101 A N H < S+ 0 0 79 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.931 120.1 31.1 -69.6 -45.9 23.1 0.3 32.6 97 102 A K H < S+ 0 0 106 -4,-3.1 2,-0.3 -5,-0.1 -2,-0.2 0.758 125.9 19.4 -91.8 -25.6 26.8 -0.4 32.8 98 103 A L < - 0 0 2 -4,-2.7 2,-0.4 -5,-0.3 -49,-0.3 -0.878 64.7-121.8-139.9 171.2 27.4 -0.7 36.5 99 104 A D E - c 0 56A 7 -44,-1.9 -42,-2.9 -2,-0.3 2,-0.6 -0.909 14.1-145.2-111.8 143.5 25.9 -1.2 40.0 100 105 A F E -Bc 47 57A 3 -53,-3.1 -53,-3.2 -2,-0.4 2,-0.9 -0.944 8.3-154.2-101.3 119.9 26.0 1.1 43.0 101 106 A Y E -Bc 46 58A 25 -44,-3.2 -42,-3.3 -2,-0.6 2,-0.6 -0.842 18.5-171.0 -88.5 107.6 26.2 -0.7 46.3 102 107 A V E -Bc 45 59A 0 -57,-3.1 -57,-3.1 -2,-0.9 -42,-0.2 -0.900 15.1-170.4-105.2 115.7 24.6 1.7 48.6 103 108 A L E - c 0 60A 0 -44,-2.8 -42,-2.5 -2,-0.6 3,-0.2 -0.877 9.2-166.0-101.0 101.0 24.9 1.0 52.3 104 109 A P S S+ 0 0 2 0, 0.0 2,-0.4 0, 0.0 -30,-0.2 0.880 71.3 9.1 -62.0 -44.7 22.5 3.6 53.8 105 110 A V + 0 0 1 -62,-0.3 3,-0.3 1,-0.1 -43,-0.3 -0.937 55.6 173.2-139.4 117.8 23.5 3.4 57.4 106 111 A L S S+ 0 0 1 -45,-1.7 2,-1.5 -2,-0.4 3,-0.3 0.933 82.8 46.2 -82.5 -52.0 26.5 1.4 58.7 107 112 A N > + 0 0 1 -45,-2.2 4,-2.1 1,-0.2 -1,-0.2 -0.517 66.8 154.6 -94.7 69.1 26.5 2.4 62.4 108 113 A I H > + 0 0 0 -2,-1.5 4,-2.7 -3,-0.3 5,-0.2 0.873 67.5 58.5 -66.4 -39.0 22.8 2.0 63.0 109 114 A D H > S+ 0 0 4 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.932 110.6 42.5 -58.2 -46.0 23.2 1.4 66.8 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 110.6 56.2 -68.5 -39.2 24.9 4.8 67.2 111 116 A Y H X S+ 0 0 1 -4,-2.1 4,-1.1 1,-0.2 3,-0.4 0.939 106.6 49.8 -58.2 -48.2 22.4 6.5 64.9 112 117 A I H X S+ 0 0 51 -4,-2.7 4,-2.2 1,-0.2 3,-0.3 0.861 108.5 54.8 -56.5 -35.3 19.5 5.4 67.0 113 118 A Y H X>S+ 0 0 25 -4,-1.3 4,-2.6 -5,-0.2 5,-2.5 0.841 101.6 56.1 -70.7 -32.2 21.4 6.7 70.1 114 119 A T H <5S+ 0 0 6 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.771 113.6 42.9 -69.6 -23.0 21.7 10.1 68.5 115 120 A W H <5S+ 0 0 98 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.839 123.7 33.2 -86.5 -36.4 17.9 10.1 68.2 116 121 A T H <5S- 0 0 91 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.795 136.5 -6.2 -92.9 -32.1 17.1 8.7 71.6 117 122 A K T <5S+ 0 0 73 -4,-2.6 2,-0.4 -5,-0.2 -3,-0.2 0.689 122.6 22.0-135.0 -52.7 19.7 9.9 74.0 118 123 A N > < - 0 0 27 -5,-2.5 3,-2.1 1,-0.1 -2,-0.1 -0.862 46.2-164.0-143.3 103.6 22.8 11.9 72.7 119 124 A R T 3 S+ 0 0 55 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.693 91.8 56.8 -59.9 -20.2 22.7 13.8 69.4 120 125 A M T 3 S+ 0 0 88 -53,-0.0 -1,-0.3 -55,-0.0 -54,-0.1 0.238 72.9 130.8-101.8 11.8 26.5 14.0 69.5 121 126 A W < + 0 0 11 -3,-2.1 -55,-1.2 -11,-0.1 -7,-0.1 -0.382 26.0 173.1 -63.9 144.6 27.3 10.3 69.8 122 127 A R + 0 0 16 -57,-0.2 -57,-1.6 2,-0.1 -1,-0.1 0.734 47.7 63.0-119.2 -47.2 30.0 9.2 67.3 123 128 A K S S- 0 0 0 1,-0.2 -58,-0.2 -59,-0.2 14,-0.2 0.143 86.6 -84.2 -79.7-173.5 31.0 5.6 67.9 124 129 A T - 0 0 0 12,-1.9 -1,-0.2 -14,-0.1 -2,-0.1 -0.150 36.7-121.1 -75.2-175.8 29.3 2.2 67.8 125 130 A R + 0 0 44 10,-0.2 2,-0.1 -2,-0.1 -1,-0.0 0.068 62.0 131.8-123.3 24.3 27.3 1.0 70.9 126 131 A S - 0 0 4 10,-0.1 9,-2.6 1,-0.1 2,-0.1 -0.435 57.7-112.7 -73.7 151.5 29.2 -2.2 71.7 127 132 A T - 0 0 95 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.420 24.1-140.2 -80.0 160.2 30.3 -2.9 75.3 128 133 A N > - 0 0 23 5,-0.5 3,-1.4 3,-0.5 5,-0.0 -0.986 22.6-107.1-126.8 133.4 33.9 -3.1 76.3 129 134 A A T 3 S+ 0 0 106 -2,-0.4 4,-0.1 1,-0.2 3,-0.1 -0.267 97.9 6.6 -58.5 134.4 35.5 -5.5 78.7 130 135 A G T 3 S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.626 117.0 74.1 76.4 14.3 36.4 -4.2 82.1 131 136 A T S < S- 0 0 41 -3,-1.4 -3,-0.5 2,-0.1 -1,-0.1 -0.990 71.0-135.9-152.8 153.9 34.9 -0.7 81.7 132 137 A T S S+ 0 0 57 205,-0.4 206,-0.1 -2,-0.3 -1,-0.1 0.613 73.3 114.3 -81.1 -12.5 31.6 1.0 81.6 133 138 A b - 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