==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAY-13 3WC6 . COMPND 2 MOLECULE: CARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR N.YOSHIMOTO,T.ITOH,Y.INABA,K.YAMAMOTO . 304 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.3 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 31.6 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 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 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 0 112 0, 0.0 2,-0.2 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 56.9 28.3 -35.2 12.7 2 7 A H + 0 0 56 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.585 360.0 178.9 -82.4 142.7 26.9 -33.2 9.7 3 8 A S > - 0 0 30 -2,-0.2 3,-1.4 3,-0.2 5,-0.0 -0.981 30.1-144.8-136.8 141.0 25.4 -35.0 6.7 4 9 A Y T 3 S+ 0 0 46 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.678 102.8 57.9 -68.1 -14.9 23.8 -33.4 3.5 5 10 A E T 3 S+ 0 0 90 277,-0.1 2,-0.3 2,-0.1 277,-0.2 0.260 105.4 52.2-107.0 14.6 21.3 -36.4 3.5 6 11 A K S < S- 0 0 72 -3,-1.4 2,-0.4 276,-0.1 -3,-0.2 -0.892 92.5 -95.3-134.0 168.5 19.9 -35.8 7.0 7 12 A Y - 0 0 19 -2,-0.3 2,-0.4 -5,-0.1 -2,-0.1 -0.751 43.0-153.2 -82.4 128.9 18.4 -32.9 8.9 8 13 A N - 0 0 7 -2,-0.4 -6,-0.1 60,-0.2 63,-0.0 -0.840 10.9-122.1-104.8 140.7 21.1 -31.2 11.0 9 14 A N > - 0 0 54 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.185 34.9 -99.4 -72.8 175.4 20.5 -29.3 14.2 10 15 A W H > S+ 0 0 14 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.902 123.2 55.1 -68.1 -39.5 21.6 -25.7 14.6 11 16 A E H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 113.1 44.7 -56.3 -41.9 24.8 -26.5 16.4 12 17 A T H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.927 114.2 46.5 -69.5 -49.4 25.7 -28.8 13.5 13 18 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.918 111.7 52.1 -62.6 -40.1 24.8 -26.4 10.7 14 19 A E H X S+ 0 0 61 -4,-3.2 4,-1.5 -5,-0.2 -1,-0.2 0.948 112.0 45.5 -59.8 -44.9 26.6 -23.5 12.4 15 20 A A H X S+ 0 0 60 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.823 110.6 55.6 -66.6 -33.1 29.8 -25.7 12.6 16 21 A W H X S+ 0 0 15 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.897 101.4 56.7 -67.4 -39.3 29.2 -26.7 9.0 17 22 A T H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.910 111.8 43.3 -58.8 -35.2 29.2 -23.0 7.9 18 23 A K H X S+ 0 0 138 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.938 117.5 44.0 -71.5 -44.3 32.6 -22.6 9.5 19 24 A Q H X S+ 0 0 99 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.869 110.8 51.9 -75.1 -41.4 34.1 -25.9 8.1 20 25 A V H X S+ 0 0 3 -4,-3.1 4,-0.9 2,-0.2 -1,-0.2 0.847 112.3 48.5 -64.9 -34.4 32.7 -25.6 4.6 21 26 A T H >< S+ 0 0 26 -4,-1.1 3,-0.7 -5,-0.4 7,-0.3 0.943 113.0 46.9 -64.5 -52.5 34.2 -22.1 4.4 22 27 A S H 3< S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.849 112.8 50.0 -58.3 -35.6 37.6 -23.4 5.7 23 28 A E H 3< S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.721 120.5 34.1 -74.6 -22.3 37.5 -26.3 3.3 24 29 A N XX + 0 0 39 -4,-0.9 4,-2.1 -3,-0.7 3,-2.0 -0.439 66.2 156.5-133.6 57.4 36.8 -24.1 0.2 25 30 A P T 34 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.773 73.2 56.1 -65.1 -20.5 38.6 -20.8 0.8 26 31 A D T 34 S+ 0 0 137 1,-0.2 3,-0.1 -3,-0.1 -5,-0.0 0.517 121.2 27.8 -83.8 -5.6 38.7 -19.9 -2.9 27 32 A L T <4 S+ 0 0 17 -3,-2.0 21,-3.3 1,-0.2 2,-0.4 0.566 116.1 52.7-125.2 -19.7 35.0 -20.2 -3.3 28 33 A I E < +A 47 0A 7 -4,-2.1 2,-0.3 -7,-0.3 -1,-0.2 -0.990 45.0 174.8-133.8 134.3 33.4 -19.4 0.0 29 34 A S E -A 46 0A 56 17,-1.8 17,-3.0 -2,-0.4 2,-0.4 -0.958 18.3-148.4-127.9 154.7 33.5 -16.6 2.6 30 35 A R E +A 45 0A 75 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.975 20.3 163.4-127.8 137.8 31.3 -16.4 5.8 31 36 A T E -A 44 0A 79 13,-2.3 13,-3.0 -2,-0.4 2,-0.5 -0.892 34.1-122.8-136.4 167.9 30.0 -13.3 7.6 32 37 A A E -A 43 0A 49 -2,-0.3 11,-0.2 11,-0.3 3,-0.1 -0.965 15.2-166.7-111.7 131.8 27.3 -12.7 10.2 33 38 A I E - 0 0 35 9,-2.6 2,-0.3 -2,-0.5 10,-0.1 0.495 64.4 -46.4 -98.0 -1.5 24.6 -10.2 9.1 34 39 A G E - 0 0 26 8,-0.5 8,-3.0 5,-0.0 2,-0.3 -0.968 63.7 -84.9 163.3-172.6 23.1 -9.7 12.6 35 40 A T E -A 41 0A 48 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.913 34.3-117.3-126.1 156.4 21.9 -11.6 15.6 36 41 A T > - 0 0 0 4,-2.0 3,-1.8 -2,-0.3 71,-0.1 -0.231 41.6 -89.8 -79.5 172.6 18.6 -13.2 16.4 37 42 A F T 3 S+ 0 0 80 1,-0.3 -1,-0.1 2,-0.1 90,-0.0 0.909 132.7 45.1 -45.8 -46.8 16.2 -12.3 19.3 38 43 A L T 3 S- 0 0 109 1,-0.1 -1,-0.3 2,-0.0 88,-0.0 0.407 126.0-103.1 -84.5 -3.5 18.1 -14.9 21.4 39 44 A G < + 0 0 43 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.603 67.9 149.2 93.8 17.6 21.5 -13.6 20.3 40 45 A N - 0 0 44 1,-0.1 -4,-2.0 2,-0.0 -1,-0.3 -0.614 53.0-108.3 -81.0 138.5 22.5 -16.3 17.7 41 46 A N E -A 35 0A 65 -2,-0.3 2,-1.1 -6,-0.2 -6,-0.2 -0.454 22.3-139.0 -64.7 131.1 24.7 -15.1 14.8 42 47 A I E - 0 0 0 -8,-3.0 -9,-2.6 -2,-0.2 -8,-0.5 -0.809 28.1-152.6 -93.4 100.3 22.8 -15.1 11.5 43 48 A Y E -A 32 0A 24 -2,-1.1 62,-0.4 -11,-0.2 2,-0.4 -0.429 14.4-169.3 -79.3 149.7 25.5 -16.5 9.2 44 49 A L E -A 31 0A 1 -13,-3.0 -13,-2.3 59,-0.2 2,-0.4 -0.998 8.8-151.2-136.5 134.1 25.7 -15.8 5.5 45 50 A L E -AB 30 102A 0 57,-2.9 57,-3.1 -2,-0.4 2,-0.7 -0.903 3.9-153.1-104.9 132.5 27.9 -17.6 3.0 46 51 A K E -AB 29 101A 74 -17,-3.0 -17,-1.8 -2,-0.4 2,-0.5 -0.930 18.1-168.2-105.1 117.1 29.2 -15.8 -0.1 47 52 A V E +AB 28 100A 0 53,-3.4 53,-2.4 -2,-0.7 2,-0.2 -0.895 37.1 84.4-113.9 119.0 29.7 -18.6 -2.7 48 53 A G S S- 0 0 7 -21,-3.3 48,-0.2 -2,-0.5 51,-0.1 -0.798 77.9 -86.3 162.7 152.3 31.7 -17.6 -5.9 49 54 A K - 0 0 105 46,-2.4 -22,-0.1 49,-0.3 -23,-0.1 -0.694 60.0-102.8 -75.5 128.8 35.1 -17.2 -7.4 50 55 A P + 0 0 104 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 -0.187 59.7 142.7 -52.2 145.9 36.4 -13.6 -6.6 51 56 A G > - 0 0 43 3,-0.1 3,-0.6 -3,-0.0 2,-0.3 -0.962 49.1 -75.0-174.8 168.2 36.2 -11.2 -9.5 52 57 A P T 3 S- 0 0 113 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.594 99.9 -9.9 -84.9 140.3 35.5 -7.5 -10.3 53 58 A N T 3 S+ 0 0 164 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 0.799 82.3 179.2 53.7 42.0 32.0 -6.0 -10.4 54 59 A K < - 0 0 22 -3,-0.6 -1,-0.2 44,-0.1 44,-0.2 -0.589 24.9-130.3 -80.4 136.2 30.2 -9.3 -10.1 55 60 A P - 0 0 25 0, 0.0 44,-2.1 0, 0.0 2,-0.3 -0.249 28.9-143.4 -69.3 165.4 26.4 -9.4 -10.0 56 61 A A E -cd 99 185A 1 128,-2.4 130,-3.2 42,-0.2 131,-0.9 -0.951 15.7-151.9-135.7 153.4 24.8 -11.5 -7.2 57 62 A I E -cd 100 187A 1 42,-2.1 44,-2.5 -2,-0.3 2,-0.5 -0.988 19.9-148.6-121.3 135.7 21.9 -13.8 -6.5 58 63 A F E +cd 101 188A 0 129,-3.0 131,-3.1 -2,-0.4 2,-0.4 -0.917 17.7 177.7-109.7 133.6 20.6 -13.9 -3.0 59 64 A M E -cd 102 189A 2 42,-3.6 44,-2.8 -2,-0.5 2,-0.3 -0.986 2.4-177.4-135.2 129.5 19.0 -17.1 -1.6 60 65 A D E -cd 103 190A 0 129,-2.3 131,-2.7 -2,-0.4 2,-0.3 -0.915 2.1-172.5-121.8 158.6 17.7 -17.8 1.9 61 66 A a + 0 0 0 42,-2.2 45,-2.1 -2,-0.3 46,-0.2 -0.867 58.1 41.9-134.9 168.2 16.2 -20.8 3.7 62 67 A G + 0 0 1 129,-0.4 45,-2.2 -2,-0.3 49,-0.2 0.789 51.7 143.1 62.4 38.5 14.6 -21.5 7.0 63 68 A F S S+ 0 0 0 128,-0.6 2,-0.5 43,-0.2 -1,-0.1 0.895 75.9 50.0 -62.7 -42.3 12.3 -18.4 7.4 64 69 A H S > S- 0 0 4 1,-0.1 3,-1.7 3,-0.1 59,-0.2 -0.920 84.6-142.2-109.4 127.5 9.8 -20.9 8.9 65 70 A A T 3 S+ 0 0 0 57,-1.7 57,-0.2 -2,-0.5 -1,-0.1 0.827 95.1 48.3 -60.6 -42.9 11.2 -23.2 11.7 66 71 A R T 3 S+ 0 0 40 55,-1.1 2,-1.9 1,-0.2 -1,-0.3 0.558 83.6 92.3 -78.8 -5.9 9.4 -26.4 10.9 67 72 A E X> + 0 0 4 -3,-1.7 3,-2.0 1,-0.2 4,-0.9 -0.455 50.0 165.9 -87.9 69.6 10.1 -26.4 7.1 68 73 A W H 3> + 0 0 26 -2,-1.9 4,-2.4 207,-0.5 -1,-0.2 0.730 65.6 64.8 -65.5 -22.8 13.3 -28.6 7.6 69 74 A I H 3> S+ 0 0 1 206,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.800 97.6 58.4 -70.9 -26.4 13.6 -29.4 3.9 70 75 A S H <> S+ 0 0 0 -3,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.955 107.2 44.7 -66.7 -48.8 14.3 -25.7 3.2 71 76 A H H X S+ 0 0 0 -4,-0.9 4,-1.5 1,-0.2 -2,-0.2 0.926 112.4 53.3 -60.7 -43.6 17.3 -25.6 5.6 72 77 A A H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.890 105.9 55.7 -57.9 -38.2 18.5 -28.9 4.0 73 78 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.918 102.0 51.8 -61.2 -46.7 18.3 -27.3 0.5 74 79 A a H X S+ 0 0 0 -4,-1.9 4,-1.7 30,-0.2 -1,-0.2 0.907 111.9 49.0 -61.7 -37.5 20.5 -24.3 1.2 75 80 A Q H X S+ 0 0 3 -4,-1.5 4,-2.8 -5,-0.2 -2,-0.2 0.938 110.5 51.2 -63.4 -44.1 23.2 -26.8 2.5 76 81 A W H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.885 105.9 55.4 -58.4 -37.2 22.7 -29.0 -0.7 77 82 A F H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.938 109.8 45.0 -61.2 -46.6 23.2 -26.0 -2.9 78 83 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 5,-0.3 0.939 110.2 56.0 -61.4 -48.1 26.5 -25.2 -1.3 79 84 A R H X S+ 0 0 56 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.922 110.2 45.6 -41.5 -53.1 27.4 -29.0 -1.5 80 85 A E H X S+ 0 0 16 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.910 109.4 54.3 -63.4 -44.2 26.8 -28.9 -5.3 81 86 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.913 115.5 37.6 -60.3 -46.5 28.7 -25.7 -5.9 82 87 A V H < S+ 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.856 119.6 47.9 -78.5 -31.3 31.8 -27.0 -4.3 83 88 A L H < S+ 0 0 95 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.905 120.1 34.3 -71.3 -42.9 31.5 -30.5 -5.6 84 89 A T H >X S+ 0 0 25 -4,-3.0 4,-2.1 -5,-0.2 3,-1.5 0.497 80.9 121.9 -98.5 -0.1 30.8 -29.6 -9.2 85 90 A Y T 3< S+ 0 0 61 -4,-1.1 4,-0.1 -5,-0.3 5,-0.0 -0.430 86.2 16.3 -65.4 128.0 32.9 -26.5 -9.7 86 91 A G T 34 S+ 0 0 59 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 -0.092 125.5 60.2 99.1 -28.4 35.4 -27.2 -12.6 87 92 A Y T <4 S+ 0 0 206 -3,-1.5 2,-0.6 1,-0.2 -2,-0.2 0.776 94.5 54.7-102.7 -32.1 33.4 -30.3 -13.8 88 93 A E S X S- 0 0 49 -4,-2.1 4,-2.0 1,-0.1 -2,-0.4 -0.943 73.9-146.9-110.8 119.8 29.9 -29.0 -14.8 89 94 A S H > S+ 0 0 81 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.826 92.9 47.9 -53.5 -41.2 30.2 -26.2 -17.3 90 95 A H H > S+ 0 0 87 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.966 112.8 44.1 -70.7 -52.5 27.1 -24.3 -16.1 91 96 A M H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.898 114.7 52.5 -59.7 -35.5 27.8 -24.3 -12.3 92 97 A T H X S+ 0 0 23 -4,-2.0 4,-2.1 -8,-0.2 -1,-0.2 0.954 110.6 46.4 -68.8 -45.1 31.4 -23.3 -13.1 93 98 A E H X S+ 0 0 65 -4,-2.1 4,-1.9 1,-0.2 5,-0.3 0.926 111.7 52.9 -63.2 -44.2 30.3 -20.4 -15.2 94 99 A F H X S+ 0 0 2 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.915 111.5 43.8 -50.9 -51.8 27.8 -19.3 -12.6 95 100 A L H < S+ 0 0 0 -4,-2.4 -46,-2.4 1,-0.2 -1,-0.2 0.804 114.4 51.1 -72.1 -28.5 30.4 -19.2 -9.8 96 101 A N H < S+ 0 0 64 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.847 121.7 30.8 -69.4 -35.2 33.0 -17.5 -12.0 97 102 A K H < S+ 0 0 107 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.667 123.3 30.0-105.0 -22.4 30.6 -14.7 -13.1 98 103 A L < - 0 0 1 -4,-2.6 2,-0.4 -5,-0.3 -49,-0.3 -0.907 66.5-130.0-133.4 161.4 28.3 -14.2 -10.2 99 104 A D E - c 0 56A 14 -44,-2.1 -42,-2.1 -2,-0.3 2,-0.5 -0.887 15.6-149.0-104.3 148.7 28.3 -14.5 -6.4 100 105 A F E -Bc 47 57A 5 -53,-2.4 -53,-3.4 -2,-0.4 2,-0.7 -0.991 3.4-155.1-111.5 121.0 25.5 -16.4 -4.5 101 106 A Y E -Bc 46 58A 22 -44,-2.5 -42,-3.6 -2,-0.5 2,-0.6 -0.897 18.4-169.3 -93.7 119.3 24.7 -15.1 -1.0 102 107 A V E -Bc 45 59A 1 -57,-3.1 -57,-2.9 -2,-0.7 -42,-0.2 -0.943 13.9-168.7-118.7 118.2 23.3 -18.1 0.7 103 108 A L E - c 0 60A 0 -44,-2.8 -42,-2.2 -2,-0.6 3,-0.3 -0.868 5.7-167.4-110.8 102.2 21.7 -17.7 4.1 104 109 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.820 71.6 9.4 -69.9 -35.4 21.2 -21.2 5.4 105 110 A V + 0 0 1 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.878 54.0 174.6-145.0 119.5 18.9 -20.4 8.3 106 111 A L S S+ 0 0 0 -45,-2.1 2,-1.6 -2,-0.3 3,-0.2 0.959 83.0 47.5 -84.3 -51.5 17.2 -17.1 8.9 107 112 A N > + 0 0 0 -45,-2.2 4,-2.3 -46,-0.2 -1,-0.2 -0.551 66.5 156.8 -93.6 72.0 15.0 -18.1 11.9 108 113 A I H > S+ 0 0 0 -2,-1.6 4,-3.0 -3,-0.3 -1,-0.2 0.882 70.3 54.2 -65.9 -40.8 17.6 -19.9 14.0 109 114 A D H > S+ 0 0 3 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 111.7 44.8 -62.4 -41.6 15.8 -19.4 17.3 110 115 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 112.4 53.8 -66.2 -40.4 12.6 -21.0 15.9 111 116 A Y H X S+ 0 0 1 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.955 107.9 48.3 -62.4 -46.9 14.7 -23.8 14.3 112 117 A I H >X S+ 0 0 54 -4,-3.0 4,-1.9 1,-0.2 3,-1.1 0.954 110.1 53.8 -55.3 -44.1 16.4 -24.6 17.6 113 118 A Y H 3X>S+ 0 0 59 -4,-2.3 4,-2.8 1,-0.3 5,-2.5 0.847 102.3 56.3 -61.1 -33.4 12.9 -24.7 19.2 114 119 A T H 3<5S+ 0 0 5 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.790 112.6 44.2 -70.3 -23.4 11.6 -27.2 16.6 115 120 A W H <<5S+ 0 0 99 -4,-1.1 -2,-0.2 -3,-1.1 -1,-0.2 0.817 124.6 31.7 -88.2 -26.9 14.5 -29.6 17.7 116 121 A T H <5S- 0 0 88 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.789 135.6 -1.7 -99.5 -34.6 14.1 -29.1 21.4 117 122 A K T <5S+ 0 0 165 -4,-2.8 2,-0.3 -5,-0.2 -3,-0.2 0.638 123.1 19.3-131.6 -41.2 10.4 -28.5 22.2 118 123 A N > < - 0 0 62 -5,-2.5 3,-2.0 1,-0.1 -2,-0.1 -0.791 47.6-162.6-156.6 100.1 7.9 -28.4 19.3 119 124 A R T 3 S+ 0 0 53 -2,-0.3 -5,-0.1 1,-0.3 -1,-0.1 0.708 91.9 53.0 -56.4 -26.8 8.6 -29.8 15.8 120 125 A M T 3 S+ 0 0 74 -53,-0.0 -1,-0.3 156,-0.0 -54,-0.2 0.247 74.4 132.8-102.8 14.1 5.8 -27.9 14.2 121 126 A W < + 0 0 29 -3,-2.0 -55,-1.1 -11,-0.1 -7,-0.1 -0.392 26.1 174.9 -63.7 146.1 6.8 -24.4 15.4 122 127 A R + 0 0 18 -57,-0.2 -57,-1.7 2,-0.1 -1,-0.1 0.739 47.2 62.0-115.2 -48.4 6.7 -21.8 12.6 123 128 A K S S- 0 0 3 1,-0.2 14,-0.2 -59,-0.2 -58,-0.2 0.013 87.5 -82.0 -82.2-176.4 7.4 -18.2 13.8 124 129 A T - 0 0 0 12,-2.5 -1,-0.2 -14,-0.1 -2,-0.1 -0.074 37.6-119.6 -65.3-175.7 10.3 -16.5 15.5 125 130 A R + 0 0 51 10,-0.1 -1,-0.1 9,-0.0 2,-0.1 0.089 66.9 125.3-118.2 21.8 10.8 -16.9 19.3 126 131 A S - 0 0 5 10,-0.1 9,-3.0 1,-0.1 2,-0.1 -0.323 60.3-109.6 -76.7 165.5 10.5 -13.2 20.3 127 132 A T - 0 0 93 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.478 22.7-140.3 -91.9 161.7 8.1 -11.9 22.9 128 133 A N > - 0 0 19 3,-0.4 3,-1.2 5,-0.4 5,-0.1 -0.993 23.2-107.5-127.8 138.3 5.0 -9.8 22.3 129 134 A A T 3 S+ 0 0 103 -2,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.290 99.5 13.3 -62.3 133.4 3.7 -6.8 24.4 130 135 A G T 3 S+ 0 0 96 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.529 118.6 58.1 89.2 4.1 0.5 -7.6 26.4 131 136 A T S < S- 0 0 46 -3,-1.2 -3,-0.4 2,-0.1 -1,-0.1 -0.961 71.8-129.2-157.1 163.1 0.5 -11.4 26.0 132 137 A T S S+ 0 0 133 -2,-0.3 2,-0.1 -5,-0.1 -3,-0.1 0.478 71.5 118.0 -96.3 -3.3 2.6 -14.5 26.8 133 138 A b - 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