==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-03 1PW8 . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR N.R.SILVAGGI,H.R.JOSEPHINE,R.F.PRATT,J.A.KELLY . 345 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 1 0.3 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 . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 1 0 1 2 1 0 0 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 2 1 0 1 2 1 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 2 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 3 A L 0 0 116 0, 0.0 341,-0.1 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 150.2 18.1 17.6 40.6 2 4 A P - 0 0 57 0, 0.0 341,-0.2 0, 0.0 3,-0.1 -0.215 360.0 -88.1 -58.4 159.9 21.8 18.1 39.9 3 5 A A - 0 0 73 339,-0.1 341,-0.5 1,-0.1 338,-0.0 -0.472 48.1-101.8 -66.8 140.4 22.8 17.9 36.3 4 6 A P - 0 0 11 0, 0.0 2,-0.8 0, 0.0 336,-0.2 -0.389 33.9-127.8 -58.6 146.2 23.7 14.4 35.1 5 7 A D > - 0 0 11 334,-2.4 4,-2.6 1,-0.2 5,-0.2 -0.809 26.2-178.8-105.0 97.3 27.5 14.0 34.9 6 8 A D H > S+ 0 0 61 -2,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.851 83.6 54.3 -68.5 -31.5 28.4 12.7 31.5 7 9 A T H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 110.7 47.5 -68.3 -36.0 32.2 12.6 32.3 8 10 A G H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.947 112.1 49.7 -65.4 -47.9 31.3 10.4 35.3 9 11 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.931 109.2 52.0 -59.2 -41.3 29.1 8.3 33.1 10 12 A Q H X S+ 0 0 121 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.913 109.5 49.5 -60.2 -43.9 31.8 7.9 30.5 11 13 A A H X S+ 0 0 48 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.892 108.4 54.0 -64.3 -41.1 34.3 6.8 33.3 12 14 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.949 111.2 44.5 -57.3 -49.2 31.7 4.2 34.6 13 15 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 112.5 51.4 -64.3 -40.2 31.4 2.6 31.2 14 16 A H H X S+ 0 0 111 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.925 110.1 49.6 -64.9 -39.8 35.1 2.6 30.6 15 17 A T H X S+ 0 0 42 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.922 107.5 54.9 -61.5 -44.3 35.6 0.9 33.9 16 18 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-0.6 0.920 109.1 48.2 -60.0 -42.7 33.0 -1.7 33.1 17 19 A L H ><5S+ 0 0 42 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.924 108.0 53.8 -62.5 -39.7 34.9 -2.5 29.9 18 20 A S H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.751 108.0 52.6 -65.1 -20.1 38.1 -2.8 31.8 19 21 A Q T <<5S- 0 0 57 -4,-1.3 -1,-0.3 -3,-0.6 310,-0.3 0.448 133.7 -83.0 -98.0 -1.7 36.4 -5.3 34.0 20 22 A G T < 5S+ 0 0 33 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.346 80.9 134.9 118.6 4.3 35.2 -7.6 31.1 21 23 A A < - 0 0 4 -5,-2.4 -1,-0.4 1,-0.2 302,-0.1 -0.683 44.7-151.5 -75.6 128.2 32.0 -6.1 29.7 22 24 A P S S+ 0 0 17 0, 0.0 19,-2.2 0, 0.0 2,-0.3 0.887 80.7 4.7 -59.4 -37.9 32.3 -6.2 25.9 23 25 A G E -A 40 0A 0 17,-0.3 299,-1.7 19,-0.1 2,-0.3 -0.977 64.5-177.2-144.6 154.7 30.0 -3.2 25.7 24 26 A A E +AB 39 321A 0 15,-2.4 15,-2.8 -2,-0.3 2,-0.3 -0.982 10.5 169.0-154.6 144.1 28.3 -0.9 28.2 25 27 A M E -AB 38 320A 0 295,-2.6 295,-2.4 -2,-0.3 2,-0.3 -0.969 14.2-162.3-156.0 164.3 25.8 2.0 27.7 26 28 A V E -AB 37 319A 1 11,-2.7 11,-2.5 -2,-0.3 2,-0.4 -0.988 2.9-164.2-155.7 140.5 23.5 4.4 29.4 27 29 A R E -AB 36 318A 23 291,-2.5 291,-2.2 -2,-0.3 2,-0.5 -0.995 7.6-167.9-127.8 128.5 20.6 6.7 28.4 28 30 A V E -AB 35 317A 0 7,-3.0 7,-2.6 -2,-0.4 2,-0.8 -0.967 10.8-159.5-110.9 130.0 19.2 9.5 30.6 29 31 A D E -AB 34 316A 40 287,-2.7 287,-1.9 -2,-0.5 2,-1.1 -0.933 15.0-171.4-101.6 101.7 16.0 11.2 29.9 30 32 A D E > -AB 33 315A 36 3,-3.0 3,-1.8 -2,-0.8 285,-0.2 -0.727 66.8 -59.0 -94.8 81.2 16.5 14.4 31.9 31 33 A N T 3 S- 0 0 115 283,-2.3 -1,-0.1 -2,-1.1 284,-0.1 0.862 119.1 -31.1 48.6 44.5 13.1 16.1 31.7 32 34 A G T 3 S+ 0 0 62 1,-0.2 2,-0.5 282,-0.2 -1,-0.3 0.389 119.7 102.1 94.0 -1.0 13.3 16.2 27.9 33 35 A T E < -A 30 0A 87 -3,-1.8 -3,-3.0 2,-0.0 2,-0.3 -0.979 64.1-143.3-108.6 121.7 17.1 16.6 27.5 34 36 A I E -A 29 0A 64 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.708 16.2-169.9 -89.8 140.5 18.7 13.3 26.5 35 37 A H E +A 28 0A 29 -7,-2.6 -7,-3.0 -2,-0.3 2,-0.4 -0.994 15.1 173.9-116.5 133.4 22.1 12.0 27.6 36 38 A Q E +A 27 0A 112 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.975 4.5 164.9-143.9 128.4 23.4 8.9 25.8 37 39 A L E +A 26 0A 31 -11,-2.5 -11,-2.7 -2,-0.4 2,-0.3 -0.986 2.9 170.3-138.1 148.3 26.7 7.2 26.1 38 40 A S E -A 25 0A 55 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.3 -0.987 7.2-172.2-153.8 148.4 28.0 3.8 25.0 39 41 A E E +A 24 0A 60 -15,-2.8 -15,-2.4 -2,-0.3 2,-0.2 -0.999 49.4 7.4-143.3 142.0 31.4 2.2 24.8 40 42 A G E S-A 23 0A 27 -2,-0.4 10,-2.1 -17,-0.2 2,-0.4 -0.513 88.2 -32.6 93.4-158.3 32.6 -1.1 23.3 41 43 A V B -H 49 0B 35 -19,-2.2 8,-0.3 8,-0.3 3,-0.2 -0.835 15.6-160.6-118.8 141.0 30.9 -3.8 21.2 42 44 A A S S+ 0 0 0 6,-2.6 167,-2.5 -2,-0.4 2,-0.4 0.756 101.8 28.6 -75.8 -34.5 27.5 -5.3 20.7 43 45 A D > - 0 0 25 5,-1.4 4,-1.9 165,-0.1 5,-0.5 -0.969 68.1-168.1-134.3 114.8 29.1 -8.3 19.0 44 46 A R T 4 S+ 0 0 134 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.677 87.6 54.3 -80.3 -19.9 32.7 -9.1 20.2 45 47 A A T 4 S+ 0 0 94 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.825 120.9 28.9 -82.5 -34.5 33.3 -11.6 17.4 46 48 A T T 4 S- 0 0 98 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.640 101.4-126.7 -96.6 -16.4 32.4 -9.1 14.6 47 49 A G < + 0 0 46 -4,-1.9 -3,-0.2 1,-0.2 -5,-0.1 0.462 47.8 161.9 87.4 -2.5 33.4 -5.9 16.4 48 50 A R - 0 0 85 -5,-0.5 -6,-2.6 -7,-0.1 -5,-1.4 -0.354 41.8-114.8 -58.5 128.8 30.0 -4.1 15.8 49 51 A A B -H 41 0B 59 -8,-0.3 -8,-0.3 -7,-0.2 2,-0.2 -0.331 20.5-121.6 -66.2 143.0 29.7 -1.2 18.2 50 52 A I - 0 0 3 -10,-2.1 2,-0.3 -28,-0.1 -1,-0.1 -0.561 35.1-176.4 -77.0 149.0 27.1 -1.2 21.0 51 53 A T > - 0 0 46 -2,-0.2 3,-2.3 -26,-0.1 -26,-0.1 -0.978 40.2-107.4-147.8 156.7 24.7 1.7 20.9 52 54 A T T 3 S+ 0 0 12 -2,-0.3 190,-0.7 1,-0.3 191,-0.5 0.587 115.4 59.6 -68.5 -8.0 21.9 3.0 23.0 53 55 A T T 3 S+ 0 0 94 188,-0.1 -1,-0.3 189,-0.1 2,-0.2 0.521 78.4 113.9 -92.8 -3.8 19.3 1.9 20.4 54 56 A D < - 0 0 4 -3,-2.3 188,-0.3 153,-0.1 153,-0.3 -0.425 67.1-127.1 -67.2 135.0 20.3 -1.7 20.6 55 57 A R B +i 207 0C 42 151,-2.5 153,-2.6 -2,-0.2 2,-0.3 -0.385 35.5 170.6 -74.6 158.5 17.7 -4.0 22.0 56 58 A F E -J 240 0D 0 184,-2.3 184,-2.5 151,-0.2 2,-0.5 -0.965 41.1 -86.0-159.3 167.9 18.5 -6.4 24.8 57 59 A R E -J 239 0D 5 -2,-0.3 182,-0.2 182,-0.2 243,-0.2 -0.780 31.0-163.0 -85.4 123.3 17.1 -8.8 27.4 58 60 A V > - 0 0 0 180,-2.2 3,-1.8 -2,-0.5 247,-0.2 0.484 19.0-167.9 -89.7 -4.4 16.0 -6.8 30.5 59 61 A G G > + 0 0 2 179,-0.5 3,-2.6 177,-0.5 179,-0.4 -0.213 68.7 7.7 52.7-134.8 15.8 -9.8 32.9 60 62 A S G > S+ 0 0 17 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.595 108.6 85.6 -67.1 -7.1 14.1 -9.2 36.2 61 63 A V G X> S+ 0 0 0 -3,-1.8 3,-1.6 1,-0.3 4,-0.8 0.819 76.8 76.9 -55.8 -25.0 13.0 -5.7 35.1 62 64 A T H X> S+ 0 0 0 -3,-2.6 4,-2.4 1,-0.3 3,-0.5 0.810 77.5 70.0 -50.7 -34.5 10.2 -7.8 33.6 63 65 A K H <> S+ 0 0 0 -3,-2.2 4,-2.7 172,-0.5 -1,-0.3 0.829 93.8 54.8 -58.9 -35.0 8.8 -8.1 37.2 64 66 A S H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.4 -1,-0.3 0.880 107.5 49.7 -66.7 -35.1 7.8 -4.4 37.0 65 67 A F H S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 6,-0.7 0.859 107.6 52.2 -63.4 -33.0 -6.3 -5.9 37.6 74 76 A V H ><5S+ 0 0 23 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.941 108.2 49.8 -64.7 -48.2 -6.5 -4.7 41.2 75 77 A D H 3<5S+ 0 0 62 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.850 109.8 52.4 -55.6 -35.3 -7.9 -1.4 39.9 76 78 A E T 3<5S- 0 0 91 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.440 116.2-115.9 -82.6 -3.3 -10.5 -3.4 37.8 77 79 A G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.613 87.0 112.6 77.9 14.9 -11.6 -5.3 40.9 78 80 A K S - 0 0 89 -2,-0.3 3,-1.9 4,-0.1 20,-0.4 -0.987 14.4-146.6-114.9 124.2 -7.4 -8.3 45.8 81 83 A L T 3 S+ 0 0 5 -2,-0.5 20,-2.8 1,-0.3 21,-0.3 0.777 99.2 47.9 -59.8 -26.1 -3.8 -7.8 47.0 82 84 A D T 3 S+ 0 0 92 18,-0.2 -1,-0.3 17,-0.1 2,-0.2 0.426 89.5 104.1-103.0 7.5 -4.6 -9.3 50.5 83 85 A A S < S- 0 0 21 -3,-1.9 17,-2.2 1,-0.1 18,-0.3 -0.500 83.2 -95.5 -78.0 151.2 -6.4 -12.4 49.1 84 86 A S B >> -L 99 0E 17 15,-0.2 3,-1.4 -2,-0.2 4,-0.6 -0.362 23.8-128.6 -53.5 140.1 -4.7 -15.8 49.2 85 87 A V H >> S+ 0 0 0 13,-3.0 4,-2.2 1,-0.2 3,-1.5 0.914 111.5 59.0 -55.2 -40.5 -2.9 -16.8 46.0 86 88 A N H 34 S+ 0 0 26 12,-0.5 -1,-0.2 1,-0.3 5,-0.1 0.676 87.2 74.3 -67.0 -12.8 -4.8 -20.1 46.2 87 89 A T H <4 S+ 0 0 93 -3,-1.4 -1,-0.3 9,-0.2 -2,-0.2 0.887 114.5 23.9 -61.9 -35.0 -8.1 -18.1 46.1 88 90 A Y H << S+ 0 0 41 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.719 134.0 37.6 -99.8 -28.9 -7.4 -17.6 42.4 89 91 A L S >< S- 0 0 19 -4,-2.2 3,-2.0 -5,-0.2 4,-0.4 -0.773 92.0-145.1-120.9 76.5 -5.1 -20.5 41.7 90 92 A P T 3 S- 0 0 104 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.244 75.6 -1.5 -57.6 134.8 -6.7 -23.3 43.9 91 93 A G T 3 S+ 0 0 71 2,-0.1 -5,-0.1 -5,-0.1 -4,-0.1 0.541 94.2 123.4 63.3 15.4 -4.2 -25.8 45.5 92 94 A L < + 0 0 13 -3,-2.0 -1,-0.1 -6,-0.1 4,-0.0 0.971 69.8 36.4 -67.9 -49.1 -1.3 -24.1 43.8 93 95 A L S S- 0 0 7 -4,-0.4 -2,-0.1 5,-0.1 -1,-0.0 -0.698 79.9-124.5-107.5 155.2 0.7 -23.4 47.0 94 96 A P S S+ 0 0 96 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.674 97.3 47.7 -71.9 -16.0 1.0 -25.5 50.2 95 97 A D > - 0 0 59 1,-0.1 3,-1.5 3,-0.0 -9,-0.2 -0.978 63.1-157.3-132.1 120.8 -0.2 -22.7 52.4 96 98 A D T 3 S+ 0 0 97 -2,-0.4 -10,-0.2 1,-0.3 -9,-0.2 0.707 88.1 76.1 -69.9 -14.3 -3.3 -20.5 51.8 97 99 A R T 3 + 0 0 185 -13,-0.1 2,-0.7 -12,-0.1 -1,-0.3 0.518 69.3 103.9 -76.0 1.2 -1.9 -17.7 54.0 98 100 A I < - 0 0 0 -3,-1.5 -13,-3.0 53,-0.1 -12,-0.5 -0.752 62.3-164.6 -80.1 116.1 0.4 -16.9 51.1 99 101 A T B > -L 84 0E 20 -2,-0.7 4,-2.1 -15,-0.3 -15,-0.2 -0.528 32.5-111.6-101.9 165.8 -1.2 -13.7 49.7 100 102 A V H > S+ 0 0 0 -17,-2.2 4,-2.5 -20,-0.4 5,-0.2 0.926 118.1 52.8 -62.5 -41.4 -0.8 -11.9 46.4 101 103 A R H > S+ 0 0 37 -20,-2.8 4,-1.1 -18,-0.3 -1,-0.2 0.875 108.0 50.6 -62.8 -38.7 0.8 -8.9 48.2 102 104 A Q H 4>S+ 0 0 26 -21,-0.3 5,-3.0 2,-0.2 6,-0.7 0.907 111.4 49.1 -66.8 -38.8 3.4 -11.2 49.8 103 105 A V H ><5S+ 0 0 1 -4,-2.1 3,-1.4 4,-0.2 -2,-0.2 0.941 110.4 49.7 -60.7 -47.0 4.2 -12.7 46.5 104 106 A M H 3<5S+ 0 0 1 -4,-2.5 177,-2.4 1,-0.3 178,-0.2 0.724 115.6 42.9 -71.3 -16.9 4.7 -9.4 44.8 105 107 A S T 3<5S- 0 0 2 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.247 113.2-112.2-111.1 12.2 7.0 -8.1 47.5 106 108 A H T < 5S+ 0 0 0 -3,-1.4 50,-2.9 -4,-0.3 -3,-0.2 0.847 86.1 116.9 59.7 40.3 9.1 -11.3 47.9 107 109 A R < + 0 0 54 -5,-3.0 45,-2.6 48,-0.2 47,-0.4 0.254 42.7 95.6-115.1 14.0 7.7 -12.0 51.3 108 110 A S S S- 0 0 2 -6,-0.7 41,-0.1 43,-0.2 -5,-0.1 0.661 84.6-128.2 -82.0 -17.5 6.0 -15.3 50.5 109 111 A G + 0 0 3 45,-0.3 39,-2.6 1,-0.3 2,-0.2 0.358 53.1 152.5 81.4 -5.6 8.7 -17.7 51.5 110 112 A L - 0 0 2 37,-0.2 -1,-0.3 38,-0.1 51,-0.2 -0.410 48.3-117.5 -68.3 130.6 8.6 -19.5 48.2 111 113 A Y - 0 0 43 34,-0.3 2,-1.0 31,-0.2 34,-0.1 -0.382 23.9-117.5 -62.0 139.7 12.0 -21.1 47.4 112 114 A D > - 0 0 15 45,-0.2 3,-2.3 1,-0.2 4,-0.3 -0.697 21.1-161.4 -85.0 106.6 13.7 -19.7 44.3 113 115 A Y G > S+ 0 0 1 -2,-1.0 3,-1.8 1,-0.3 4,-0.2 0.710 84.4 75.2 -56.6 -24.1 13.9 -22.7 41.8 114 116 A T G >> S+ 0 0 12 1,-0.3 4,-2.5 2,-0.2 3,-1.3 0.770 81.6 68.6 -69.7 -16.8 16.7 -20.9 39.9 115 117 A N G <4 S+ 0 0 91 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.756 101.6 47.1 -67.5 -21.3 19.1 -21.7 42.8 116 118 A D G <4 S+ 0 0 89 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.265 115.5 46.7 -99.8 8.0 18.8 -25.4 41.6 117 119 A M T <4 S+ 0 0 27 -3,-1.3 3,-0.3 -4,-0.2 -2,-0.2 0.715 117.6 34.6-102.1 -41.6 19.3 -24.3 38.0 118 120 A F < + 0 0 47 -4,-2.5 -2,-0.1 1,-0.2 -3,-0.1 0.038 67.9 118.8-116.9 28.1 22.3 -22.0 38.2 119 121 A A S S+ 0 0 89 1,-0.2 2,-0.5 -4,-0.2 -1,-0.2 0.905 92.1 37.2 -56.8 -37.7 24.5 -23.3 41.0 120 122 A Q S > S- 0 0 126 -3,-0.3 4,-2.2 1,-0.2 5,-0.3 -0.976 90.7-146.0-112.7 126.0 27.1 -23.7 38.1 121 123 A T H > S+ 0 0 21 -2,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.962 87.7 29.4 -65.0 -61.6 26.7 -20.7 35.7 122 124 A V H > S+ 0 0 28 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.959 122.2 50.1 -71.9 -44.7 27.5 -22.0 32.2 123 125 A P H > S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.924 112.5 49.3 -57.6 -37.7 26.3 -25.6 32.8 124 126 A G H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.925 111.5 48.1 -68.5 -41.8 23.1 -24.2 34.2 125 127 A F H X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.942 110.9 51.0 -58.4 -45.8 22.6 -21.9 31.2 126 128 A E H < S+ 0 0 138 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.791 109.6 53.2 -63.4 -25.5 23.3 -24.8 28.9 127 129 A S H < S+ 0 0 60 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.888 122.0 24.6 -72.3 -44.3 20.6 -26.8 30.8 128 130 A V H >< S+ 0 0 2 -4,-2.0 3,-1.9 1,-0.1 102,-0.3 0.674 94.7 89.6 -96.6 -17.1 17.8 -24.2 30.5 129 131 A R T 3< S+ 0 0 75 -4,-2.7 99,-2.6 1,-0.3 100,-0.2 0.758 100.5 30.9 -61.2 -28.9 18.5 -22.2 27.5 130 132 A N T 3 S+ 0 0 123 -4,-0.3 2,-0.3 97,-0.2 -1,-0.3 0.097 98.6 107.2-115.0 21.2 16.6 -24.4 25.0 131 133 A K < - 0 0 97 -3,-1.9 2,-0.5 2,-0.0 99,-0.4 -0.741 55.4-149.8 -99.3 150.4 13.9 -25.7 27.4 132 134 A V - 0 0 95 -2,-0.3 2,-0.3 98,-0.1 99,-0.0 -0.981 20.0-174.3-116.3 120.1 10.3 -24.7 27.4 133 135 A F - 0 0 27 -2,-0.5 2,-0.2 97,-0.1 3,-0.0 -0.872 20.6-130.8-109.4 147.5 8.6 -24.8 30.8 134 136 A S > - 0 0 53 -2,-0.3 4,-1.4 1,-0.1 5,-0.2 -0.572 31.2-112.3 -82.6 161.5 5.0 -24.3 31.9 135 137 A Y H > S+ 0 0 20 1,-0.2 4,-2.4 -2,-0.2 3,-0.4 0.940 121.0 53.6 -51.5 -48.9 4.3 -22.0 34.8 136 138 A Q H > S+ 0 0 84 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.905 101.8 58.4 -59.1 -37.6 3.2 -25.0 36.8 137 139 A D H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 108.4 45.4 -56.4 -42.0 6.5 -26.8 36.0 138 140 A L H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.912 111.8 51.4 -71.6 -41.0 8.5 -23.9 37.6 139 141 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.939 108.9 51.7 -60.8 -42.8 6.1 -23.8 40.6 140 142 A T H X S+ 0 0 68 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.898 107.0 53.7 -60.7 -39.7 6.5 -27.5 41.1 141 143 A L H >< S+ 0 0 47 -4,-2.0 3,-0.7 -5,-0.3 4,-0.3 0.930 110.8 46.1 -61.0 -44.1 10.3 -27.1 41.1 142 144 A S H >< S+ 0 0 2 -4,-2.1 3,-2.0 1,-0.2 -31,-0.2 0.918 107.5 57.7 -59.2 -44.5 10.1 -24.5 43.8 143 145 A L H 3< S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.620 84.5 78.4 -75.6 -7.1 7.7 -26.6 45.9 144 146 A K T << S+ 0 0 128 -4,-0.9 2,-0.3 -3,-0.7 -1,-0.3 0.743 97.2 56.2 -65.2 -17.5 10.2 -29.5 46.0 145 147 A H S < S- 0 0 60 -3,-2.0 -34,-0.3 -4,-0.3 3,-0.1 -0.788 97.0-115.9-109.1 155.0 11.8 -27.3 48.7 146 148 A G - 0 0 62 -2,-0.3 -35,-0.2 1,-0.1 -1,-0.1 -0.319 45.9 -80.0 -81.1-179.4 9.9 -26.1 51.7 147 149 A V - 0 0 68 -37,-0.1 -37,-0.2 1,-0.1 -1,-0.1 -0.397 32.0-135.7 -67.3 159.1 9.2 -22.4 52.2 148 150 A T S S- 0 0 74 -39,-2.6 2,-0.3 1,-0.2 -39,-0.1 0.563 77.8 -0.2 -97.2 -6.6 12.0 -20.4 53.6 149 151 A N S S- 0 0 29 -41,-0.1 -1,-0.2 -40,-0.1 3,-0.1 -0.955 89.2 -73.2-166.1 169.2 10.0 -18.4 56.1 150 152 A A S > S- 0 0 58 -2,-0.3 3,-2.3 1,-0.2 4,-0.4 -0.289 72.5 -75.7 -68.9 154.3 6.5 -17.9 57.4 151 153 A P T 3 S- 0 0 39 0, 0.0 -43,-0.2 0, 0.0 -1,-0.2 -0.325 116.5 -0.4 -57.5 127.7 4.1 -16.0 54.9 152 154 A G T 3 S+ 0 0 16 -45,-2.6 -44,-0.2 2,-0.2 -2,-0.1 0.230 103.6 110.0 83.5 -10.0 4.9 -12.4 54.9 153 155 A A S < S+ 0 0 71 -3,-2.3 2,-0.3 -46,-0.3 -45,-0.1 0.653 75.0 19.3 -82.9 -24.0 7.7 -12.7 57.5 154 156 A A - 0 0 41 -47,-0.4 2,-0.5 -4,-0.4 -45,-0.3 -0.979 69.0-115.4-148.5 145.9 10.8 -12.0 55.6 155 157 A Y + 0 0 57 -2,-0.3 2,-0.3 116,-0.2 -48,-0.2 -0.738 43.2 156.4 -78.7 124.9 12.1 -10.4 52.4 156 158 A S - 0 0 46 -50,-2.9 -47,-0.2 -2,-0.5 -48,-0.2 -0.858 40.4-129.9-149.9 101.2 13.7 -13.1 50.2 157 159 A Y + 0 0 51 -2,-0.3 2,-0.4 -50,-0.1 -45,-0.2 -0.295 35.4 173.7 -57.3 132.0 13.8 -12.4 46.6 158 160 A S >> - 0 0 1 -55,-0.2 3,-1.5 1,-0.1 4,-0.5 -0.922 37.4-151.1-145.4 122.4 12.4 -15.3 44.5 159 161 A N H >> S+ 0 0 16 -2,-0.4 4,-1.4 1,-0.3 3,-1.1 0.777 96.6 73.5 -53.8 -31.1 11.7 -15.6 40.8 160 162 A T H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.838 86.5 62.9 -54.8 -36.9 8.9 -18.0 41.8 161 163 A N H <> S+ 0 0 0 -3,-1.5 4,-1.5 1,-0.2 -1,-0.3 0.851 106.8 42.0 -56.1 -39.9 6.9 -15.1 43.0 162 164 A F H - 0 0 49 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.379 34.1-116.3 -71.7 156.4 -1.4 -14.8 27.6 177 179 A V H > S+ 0 0 2 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.877 116.1 60.5 -62.7 -33.9 1.0 -12.5 29.4 178 180 A A H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 106.3 46.7 -54.5 -44.5 2.3 -11.3 26.0 179 181 A T H > S+ 0 0 55 2,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.928 113.6 47.5 -63.8 -43.9 -1.2 -10.1 25.1 180 182 A E H X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.932 112.4 48.9 -67.9 -41.6 -1.7 -8.3 28.4 181 183 A Y H X>S+ 0 0 0 -4,-3.2 5,-2.6 1,-0.2 4,-1.9 0.928 114.4 47.3 -57.9 -47.4 1.8 -6.7 28.3 182 184 A Q H <>S+ 0 0 78 -4,-2.4 5,-2.9 -5,-0.3 -2,-0.2 0.950 118.0 39.2 -60.6 -48.5 1.0 -5.5 24.7 183 185 A N H <5S+ 0 0 97 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.853 124.3 35.2 -75.7 -35.0 -2.4 -4.2 25.4 184 186 A R H <5S+ 0 0 37 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.648 136.9 2.5 -96.3 -15.6 -1.9 -2.6 28.8 185 187 A I T X5S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -3,-0.2 0.646 120.4 51.0-133.6 -58.9 1.7 -1.3 28.4 186 188 A F T 4XS+ 0 0 3 -5,-2.6 5,-2.6 1,-0.2 4,-0.4 0.909 116.5 38.2 -64.8 -44.5 3.6 -1.7 25.2 187 189 A T T >4 < + 0 0 6 -5,-2.6 3,-1.9 -6,-0.2 -1,-0.2 -0.580 4.4 172.4 -85.3 80.5 7.2 0.9 23.3 192 194 A T T 3 S+ 0 0 82 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.593 74.6 48.2 -73.3 -13.1 8.4 0.0 19.8 193 195 A D T 3 S+ 0 0 24 -3,-0.1 2,-0.4 48,-0.1 -1,-0.3 0.217 93.2 98.9-102.6 11.3 11.5 -1.7 21.0 194 196 A T < + 0 0 3 -3,-1.9 2,-0.3 46,-0.1 46,-0.2 -0.873 45.5 161.2-113.9 131.0 9.7 -3.8 23.6 195 197 A F B -K 239 0D 54 44,-2.5 44,-2.6 -2,-0.4 2,-0.4 -0.964 34.4-159.8-142.2 157.6 8.7 -7.4 23.1 196 198 A Y + 0 0 23 -2,-0.3 42,-0.1 42,-0.2 -14,-0.1 -0.886 28.1 158.0-136.8 102.7 7.7 -10.6 24.9 197 199 A V > - 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