==== 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 02-FEB-05 1YQS . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR N.AHMED,M.CORDARO,A.P.LAWS,M.DELMARCELLE,N.R.SILVAGGI,J.A.KE . 345 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 67.8 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 . 15 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 26.7 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 2 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 0 115 0, 0.0 341,-0.1 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 147.6 18.0 18.0 40.7 2 4 A P - 0 0 56 0, 0.0 341,-0.2 0, 0.0 3,-0.1 -0.257 360.0 -88.6 -56.8 157.1 21.8 18.5 40.1 3 5 A A - 0 0 74 339,-0.1 341,-0.4 1,-0.1 338,-0.0 -0.468 48.6-103.1 -65.8 138.8 22.9 18.3 36.5 4 6 A P - 0 0 11 0, 0.0 2,-0.8 0, 0.0 336,-0.2 -0.381 32.0-128.7 -57.5 148.9 23.8 14.8 35.3 5 7 A D > + 0 0 13 334,-2.3 4,-2.5 1,-0.2 5,-0.2 -0.824 27.0 179.5-106.9 95.5 27.5 14.3 35.2 6 8 A D H > S+ 0 0 60 -2,-0.8 4,-2.7 2,-0.2 5,-0.2 0.842 83.1 55.5 -69.1 -32.5 28.5 12.9 31.7 7 9 A T H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 110.7 46.9 -62.6 -42.8 32.2 12.8 32.5 8 10 A G H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.926 111.8 50.1 -63.5 -45.5 31.3 10.7 35.6 9 11 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.920 108.9 52.2 -58.0 -45.5 29.1 8.5 33.5 10 12 A Q H X S+ 0 0 122 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.920 109.2 50.4 -56.1 -44.9 31.9 8.1 30.9 11 13 A A H X S+ 0 0 42 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.895 107.9 53.3 -63.0 -40.4 34.2 7.0 33.7 12 14 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.937 110.5 45.9 -60.3 -48.8 31.7 4.4 35.0 13 15 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.911 112.3 51.1 -62.9 -41.1 31.4 2.8 31.6 14 16 A H H X S+ 0 0 112 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.916 110.2 49.6 -62.5 -39.9 35.1 2.8 31.1 15 17 A T H X S+ 0 0 40 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.919 107.5 54.2 -63.3 -43.6 35.6 1.1 34.4 16 18 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.7 0.921 108.5 49.4 -59.5 -41.3 33.0 -1.5 33.6 17 19 A L H ><5S+ 0 0 40 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.932 107.7 54.0 -60.7 -42.8 34.9 -2.4 30.4 18 20 A S H 3<5S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.717 108.3 51.7 -64.4 -20.1 38.1 -2.7 32.4 19 21 A Q T <<5S- 0 0 61 -4,-1.1 -1,-0.3 -3,-0.7 310,-0.3 0.410 134.1 -80.5 -98.3 -3.3 36.3 -5.1 34.7 20 22 A G T < 5S+ 0 0 32 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.403 81.7 134.4 122.6 0.6 35.1 -7.4 31.9 21 23 A A < - 0 0 4 -5,-2.3 -1,-0.3 1,-0.2 302,-0.1 -0.676 43.6-152.6 -74.4 126.4 32.0 -5.9 30.3 22 24 A P S S+ 0 0 18 0, 0.0 19,-2.3 0, 0.0 2,-0.3 0.901 81.0 3.3 -61.9 -37.5 32.3 -6.1 26.5 23 25 A G E -A 40 0A 0 17,-0.3 299,-1.7 19,-0.1 2,-0.3 -0.980 64.3-175.5-145.2 154.9 30.0 -3.1 26.3 24 26 A A E +AB 39 321A 0 15,-2.4 15,-2.7 -2,-0.3 2,-0.3 -0.987 10.2 170.0-152.7 144.4 28.3 -0.7 28.6 25 27 A M E -AB 38 320A 0 295,-2.5 295,-2.4 -2,-0.3 2,-0.3 -0.970 12.5-163.7-155.9 163.0 25.9 2.1 28.0 26 28 A V E -AB 37 319A 1 11,-2.6 11,-2.4 -2,-0.3 2,-0.4 -0.978 3.1-164.8-153.9 140.9 23.5 4.6 29.7 27 29 A R E -AB 36 318A 24 291,-2.4 291,-2.2 -2,-0.3 2,-0.5 -0.998 6.7-168.4-127.9 131.3 20.6 6.9 28.8 28 30 A V E -AB 35 317A 0 7,-2.6 7,-2.7 -2,-0.4 2,-0.7 -0.966 10.1-159.9-114.3 130.3 19.3 9.7 30.9 29 31 A D E -AB 34 316A 30 287,-2.6 287,-2.0 -2,-0.5 2,-1.0 -0.937 14.5-172.0-104.3 103.4 16.0 11.5 30.1 30 32 A D E > -AB 33 315A 34 3,-3.0 3,-1.7 -2,-0.7 285,-0.2 -0.752 66.1 -57.4-100.3 82.1 16.5 14.7 32.2 31 33 A N T 3 S- 0 0 112 283,-2.5 -1,-0.1 -2,-1.0 284,-0.1 0.863 119.8 -31.1 47.7 46.3 13.1 16.4 31.9 32 34 A G T 3 S+ 0 0 72 1,-0.3 2,-0.5 282,-0.2 -1,-0.3 0.358 119.2 101.4 97.9 -5.4 13.3 16.4 28.1 33 35 A T E < -A 30 0A 86 -3,-1.7 -3,-3.0 2,-0.0 2,-0.4 -0.950 64.0-141.4-111.9 127.6 17.0 16.7 27.6 34 36 A I E -A 29 0A 63 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.687 15.7-169.9 -94.7 138.8 18.7 13.4 26.7 35 37 A H E +A 28 0A 29 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.4 -0.985 15.1 174.0-117.6 132.4 22.1 12.2 27.8 36 38 A Q E +A 27 0A 109 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.964 4.9 163.9-147.1 126.5 23.4 9.1 26.1 37 39 A L E +A 26 0A 31 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.3 -0.990 3.8 172.1-140.6 147.1 26.8 7.3 26.3 38 40 A S E -A 25 0A 52 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.2 -0.985 7.0-171.5-151.1 149.7 28.1 3.9 25.3 39 41 A E E +A 24 0A 60 -15,-2.7 -15,-2.4 -2,-0.3 2,-0.2 -0.999 49.3 3.5-142.8 142.5 31.5 2.2 25.2 40 42 A G E S-A 23 0A 27 -2,-0.3 10,-2.2 -17,-0.2 2,-0.4 -0.498 87.8 -29.1 88.5-156.5 32.6 -1.1 23.8 41 43 A V B -H 49 0B 37 -19,-2.3 8,-0.3 8,-0.3 3,-0.2 -0.836 16.3-163.2-118.5 140.0 30.9 -3.8 21.8 42 44 A A S S+ 0 0 0 6,-2.5 167,-2.4 -2,-0.4 2,-0.4 0.763 101.7 28.7 -75.8 -35.4 27.5 -5.3 21.3 43 45 A D > - 0 0 24 5,-1.6 4,-1.8 165,-0.1 5,-0.4 -0.969 69.5-167.0-133.6 113.6 29.1 -8.3 19.7 44 46 A R T 4 S+ 0 0 133 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.0 0.695 87.4 52.0 -79.4 -15.8 32.6 -9.1 20.9 45 47 A A T 4 S+ 0 0 92 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.875 120.5 31.1 -86.8 -40.5 33.3 -11.6 18.1 46 48 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.682 102.3-128.7 -87.6 -20.2 32.3 -9.3 15.2 47 49 A G < + 0 0 44 -4,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.502 45.8 163.9 84.1 2.8 33.4 -6.1 16.9 48 50 A R - 0 0 85 -5,-0.4 -6,-2.5 -7,-0.1 -5,-1.6 -0.390 40.3-115.8 -56.9 129.3 30.0 -4.3 16.4 49 51 A A B -H 41 0B 69 -8,-0.3 -8,-0.3 -7,-0.2 2,-0.2 -0.282 22.1-120.0 -69.3 144.4 29.8 -1.3 18.7 50 52 A I - 0 0 5 -10,-2.2 2,-0.3 -28,-0.1 -1,-0.1 -0.566 33.7-175.1 -77.5 149.3 27.2 -1.1 21.4 51 53 A T > - 0 0 47 -2,-0.2 3,-2.2 -26,-0.1 -26,-0.1 -0.982 39.6-110.3-144.9 156.7 24.8 1.7 21.3 52 54 A T T 3 S+ 0 0 4 -2,-0.3 190,-0.7 1,-0.3 191,-0.4 0.568 114.9 61.1 -69.9 -7.2 22.0 3.1 23.5 53 55 A T T 3 S+ 0 0 90 188,-0.1 -1,-0.3 189,-0.1 2,-0.2 0.520 77.9 114.5 -90.9 -4.9 19.4 2.0 20.8 54 56 A D < - 0 0 5 -3,-2.2 188,-0.3 153,-0.1 153,-0.3 -0.413 67.0-127.2 -69.6 130.8 20.4 -1.7 21.1 55 57 A R B +i 207 0C 44 151,-2.4 153,-2.5 -2,-0.2 2,-0.3 -0.388 35.9 172.4 -71.7 156.6 17.6 -3.9 22.5 56 58 A F E -J 240 0D 0 184,-2.3 184,-2.5 151,-0.2 2,-0.6 -0.968 39.7 -88.0-158.0 165.5 18.5 -6.2 25.4 57 59 A R E -J 239 0D 6 -2,-0.3 182,-0.2 182,-0.2 243,-0.1 -0.782 30.1-162.1 -84.8 121.4 17.1 -8.6 28.0 58 60 A V > - 0 0 0 180,-2.1 3,-1.9 -2,-0.6 247,-0.2 0.479 18.9-169.7 -86.0 -5.5 16.0 -6.6 31.1 59 61 A G G > + 0 0 0 179,-0.5 3,-2.6 177,-0.4 179,-0.4 -0.177 68.4 7.7 53.9-133.9 15.9 -9.6 33.4 60 62 A S G > S+ 0 0 10 239,-0.9 3,-1.9 1,-0.3 4,-0.4 0.574 108.9 85.1 -65.8 -6.3 14.3 -8.9 36.8 61 63 A V G X> S+ 0 0 0 -3,-1.9 3,-1.7 1,-0.3 4,-0.9 0.817 76.2 77.5 -55.9 -26.4 13.1 -5.4 35.7 62 64 A T H <> S+ 0 0 0 -3,-2.6 4,-2.5 1,-0.3 3,-0.3 0.809 76.5 71.6 -50.8 -32.0 10.3 -7.6 34.4 63 65 A K H <> S+ 0 0 0 -3,-1.9 4,-2.5 172,-0.5 -1,-0.3 0.846 93.3 54.1 -57.7 -35.4 8.9 -7.8 37.9 64 66 A S H <> S+ 0 0 0 -3,-1.7 4,-2.2 -4,-0.4 -1,-0.2 0.868 107.6 50.2 -66.8 -36.4 7.9 -4.1 37.7 65 67 A F H X S+ 0 0 0 -4,-0.9 4,-2.1 -3,-0.3 -2,-0.2 0.941 112.2 47.0 -63.3 -47.2 5.9 -4.8 34.5 66 68 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 168,-0.3 -2,-0.2 0.915 111.3 52.1 -60.3 -41.2 4.2 -7.8 36.2 67 69 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.891 106.0 53.6 -63.6 -41.6 3.5 -5.6 39.3 68 70 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.940 109.3 48.8 -59.7 -44.2 1.9 -2.9 37.2 69 71 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.960 112.7 47.7 -59.1 -49.8 -0.5 -5.5 35.6 70 72 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.900 110.9 51.2 -59.4 -41.3 -1.4 -6.9 39.0 71 73 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.862 107.2 52.9 -69.0 -32.0 -2.0 -3.4 40.5 72 74 A Q H X S+ 0 0 27 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.876 106.5 53.7 -65.5 -36.9 -4.3 -2.5 37.6 73 75 A L H <>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 6,-0.8 0.874 106.8 52.0 -63.3 -34.2 -6.2 -5.7 38.4 74 76 A V H ><5S+ 0 0 24 -4,-1.8 3,-1.6 4,-0.2 -2,-0.2 0.936 107.8 51.5 -63.3 -49.3 -6.5 -4.4 41.9 75 77 A D H 3<5S+ 0 0 63 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.865 109.4 51.4 -54.8 -35.6 -7.9 -1.1 40.5 76 78 A E T 3<5S- 0 0 89 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.481 117.1-113.1 -84.4 -2.9 -10.5 -3.1 38.5 77 79 A G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.636 88.3 111.3 84.7 13.8 -11.6 -5.0 41.5 78 80 A K S - 0 0 88 -2,-0.3 3,-1.5 1,-0.1 20,-0.3 -0.980 13.6-148.5-114.3 120.8 -7.2 -8.1 46.6 81 83 A L T 3 S+ 0 0 5 -2,-0.5 20,-2.8 1,-0.3 21,-0.3 0.781 97.9 49.6 -61.1 -27.8 -3.6 -7.6 47.7 82 84 A D T 3 S+ 0 0 93 18,-0.2 -1,-0.3 17,-0.1 2,-0.2 0.436 87.9 104.4 -96.6 4.9 -4.5 -9.1 51.2 83 85 A A S < S- 0 0 21 -3,-1.5 17,-2.1 1,-0.1 18,-0.2 -0.481 82.6 -97.9 -75.1 151.8 -6.2 -12.2 49.9 84 86 A S B >> -L 99 0E 29 15,-0.2 3,-1.5 -2,-0.2 4,-0.8 -0.433 21.9-128.4 -63.4 139.8 -4.4 -15.5 50.0 85 87 A V H >> S+ 0 0 0 13,-2.7 4,-2.0 1,-0.3 3,-1.2 0.916 110.3 60.3 -51.8 -43.2 -2.7 -16.6 46.9 86 88 A N H 34 S+ 0 0 13 12,-0.5 -1,-0.3 1,-0.3 5,-0.2 0.691 90.0 68.8 -67.8 -12.8 -4.6 -19.9 47.3 87 89 A T H <4 S+ 0 0 94 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.896 113.6 29.4 -67.0 -36.9 -7.9 -18.2 47.1 88 90 A Y H << S+ 0 0 41 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.753 133.5 33.3 -89.8 -28.3 -7.2 -17.4 43.4 89 91 A L S >< S- 0 0 21 -4,-2.0 3,-2.1 -5,-0.1 4,-0.3 -0.798 91.4-145.2-129.4 75.7 -5.0 -20.5 42.6 90 92 A P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.167 76.7 4.0 -57.8 136.5 -6.5 -23.2 44.9 91 93 A G T 3 S+ 0 0 70 -5,-0.2 -5,-0.1 2,-0.1 -4,-0.1 0.568 92.6 120.9 71.6 10.4 -4.0 -25.6 46.2 92 94 A L < + 0 0 11 -3,-2.1 -1,-0.1 -6,-0.1 -6,-0.0 0.944 69.5 36.2 -69.4 -48.3 -1.0 -23.9 44.8 93 95 A L S S- 0 0 9 -4,-0.3 -2,-0.1 5,-0.1 -1,-0.1 -0.767 75.2-126.8-110.6 153.8 1.0 -23.1 48.0 94 96 A P S S+ 0 0 97 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.704 96.8 56.6 -68.4 -19.3 1.4 -25.1 51.2 95 97 A D > - 0 0 33 1,-0.1 3,-1.3 3,-0.0 -9,-0.2 -0.956 62.0-162.1-124.8 115.6 0.3 -22.2 53.3 96 98 A D T 3 S+ 0 0 109 -2,-0.5 -9,-0.2 1,-0.2 -10,-0.2 0.671 88.2 70.3 -62.3 -18.8 -3.1 -20.5 52.9 97 99 A R T 3 S+ 0 0 162 -13,-0.1 2,-0.4 -12,-0.1 -1,-0.2 0.665 70.1 105.0 -80.3 -10.9 -1.8 -17.5 54.9 98 100 A I < - 0 0 0 -3,-1.3 -13,-2.7 -14,-0.1 -12,-0.5 -0.556 60.5-159.8 -74.3 122.0 0.6 -16.4 52.1 99 101 A T B > -L 84 0E 18 -2,-0.4 4,-2.2 -15,-0.3 -15,-0.2 -0.528 30.4-111.5-104.5 165.1 -1.0 -13.3 50.5 100 102 A V H > S+ 0 0 0 -17,-2.1 4,-2.6 -20,-0.3 -18,-0.2 0.922 118.0 53.7 -58.1 -44.0 -0.6 -11.6 47.2 101 103 A R H > S+ 0 0 35 -20,-2.8 4,-1.1 -18,-0.2 -1,-0.2 0.896 107.5 51.3 -60.7 -40.9 1.0 -8.6 48.9 102 104 A Q H 4>S+ 0 0 27 -21,-0.3 5,-3.0 1,-0.2 6,-0.6 0.916 110.5 48.2 -62.3 -43.9 3.6 -10.8 50.5 103 105 A V H ><5S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.934 110.3 51.1 -61.1 -45.1 4.5 -12.4 47.2 104 106 A M H 3<5S+ 0 0 1 -4,-2.6 177,-2.1 1,-0.3 -1,-0.2 0.706 114.3 43.9 -69.5 -17.2 4.9 -9.1 45.5 105 107 A S T 3<5S- 0 0 2 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.205 114.0-111.4-108.4 9.4 7.2 -7.7 48.2 106 108 A H T < 5S+ 0 0 1 -3,-1.4 50,-2.7 -4,-0.2 -3,-0.2 0.875 86.8 116.7 60.7 39.4 9.3 -10.9 48.6 107 109 A R < + 0 0 50 -5,-3.0 45,-2.6 48,-0.2 47,-0.3 0.156 41.9 96.0-117.0 17.9 8.0 -11.6 52.0 108 110 A S S S- 0 0 1 -6,-0.6 -5,-0.1 43,-0.2 41,-0.1 0.681 83.3-129.5 -83.9 -20.4 6.3 -14.9 51.2 109 111 A G + 0 0 3 45,-0.3 39,-2.5 1,-0.3 2,-0.2 0.386 52.6 152.7 80.5 -1.5 9.0 -17.4 52.3 110 112 A L - 0 0 3 37,-0.2 -1,-0.3 38,-0.1 51,-0.2 -0.427 49.2-115.2 -68.3 127.8 8.9 -19.2 49.0 111 113 A Y - 0 0 42 34,-0.3 2,-1.0 31,-0.2 -1,-0.1 -0.333 23.8-119.9 -63.4 138.9 12.2 -20.8 48.2 112 114 A D > - 0 0 15 45,-0.2 3,-2.2 1,-0.2 4,-0.3 -0.735 19.8-161.4 -84.4 104.2 14.0 -19.4 45.1 113 115 A Y T >> S+ 0 0 1 -2,-1.0 4,-1.9 1,-0.3 3,-1.3 0.666 83.1 76.1 -56.2 -25.5 14.3 -22.4 42.7 114 116 A T H 3> S+ 0 0 16 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.788 81.1 69.1 -66.0 -18.8 17.0 -20.6 40.8 115 117 A N H <4 S+ 0 0 105 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.814 105.2 41.9 -64.2 -28.8 19.4 -21.4 43.6 116 118 A D H X4 S+ 0 0 81 -3,-1.3 3,-1.1 -4,-0.3 4,-0.3 0.905 116.5 48.8 -78.2 -46.2 19.2 -25.0 42.4 117 119 A M H 3< S+ 0 0 30 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.862 119.4 33.1 -64.0 -38.6 19.3 -24.1 38.7 118 120 A F T 3< S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.001 70.2 123.2-117.1 27.4 22.3 -21.8 38.8 119 121 A A S < S+ 0 0 82 -3,-1.1 2,-0.4 1,-0.2 -1,-0.2 0.879 92.3 34.1 -49.5 -41.3 24.5 -23.4 41.6 120 122 A Q S > S- 0 0 127 -3,-0.3 4,-2.1 -4,-0.3 5,-0.2 -0.992 90.9-145.9-115.5 123.6 27.1 -23.5 38.7 121 123 A T H > S+ 0 0 22 -2,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.940 88.5 31.2 -63.7 -60.0 26.7 -20.5 36.4 122 124 A V H > S+ 0 0 30 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.952 121.1 49.1 -71.8 -46.4 27.5 -21.8 32.9 123 125 A P H > S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.914 112.3 50.9 -55.8 -39.5 26.3 -25.4 33.4 124 126 A G H X S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.904 109.9 48.9 -64.2 -42.8 23.1 -24.1 34.8 125 127 A F H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.931 110.3 51.0 -58.5 -48.6 22.6 -21.8 31.8 126 128 A E H < S+ 0 0 140 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.838 110.1 52.1 -60.7 -30.0 23.3 -24.7 29.5 127 129 A S H < S+ 0 0 61 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.902 122.0 26.1 -69.6 -44.1 20.7 -26.7 31.4 128 130 A V H >< S+ 0 0 3 -4,-1.9 3,-2.0 1,-0.1 102,-0.3 0.627 94.2 90.2 -95.6 -21.5 17.8 -24.2 31.2 129 131 A R T 3< S+ 0 0 76 -4,-2.5 99,-2.7 1,-0.3 100,-0.2 0.761 99.8 30.6 -60.4 -31.7 18.5 -22.1 28.1 130 132 A N T 3 S+ 0 0 122 -4,-0.3 2,-0.3 97,-0.2 -1,-0.3 0.069 99.0 106.8-113.4 21.5 16.6 -24.3 25.7 131 133 A K < - 0 0 97 -3,-2.0 2,-0.5 2,-0.0 99,-0.4 -0.746 55.8-148.6 -99.8 151.6 13.9 -25.6 28.1 132 134 A V - 0 0 94 -2,-0.3 2,-0.4 98,-0.1 -2,-0.0 -0.984 19.5-172.9-117.1 117.4 10.3 -24.5 28.2 133 135 A F - 0 0 27 -2,-0.5 2,-0.2 97,-0.0 3,-0.0 -0.857 19.8-131.5-105.8 145.9 8.7 -24.7 31.7 134 136 A S > - 0 0 54 -2,-0.4 4,-1.4 1,-0.1 5,-0.2 -0.548 31.5-111.5 -78.9 163.4 5.1 -24.2 32.7 135 137 A Y H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.947 121.4 53.5 -56.7 -46.8 4.4 -21.8 35.6 136 138 A Q H > S+ 0 0 85 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.881 101.4 58.9 -58.2 -38.4 3.4 -24.8 37.6 137 139 A D H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 108.0 45.9 -55.4 -45.3 6.7 -26.6 36.9 138 140 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.4 -1,-0.2 0.905 111.4 50.9 -68.7 -42.8 8.6 -23.7 38.5 139 141 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.938 108.9 52.5 -59.3 -45.2 6.3 -23.6 41.5 140 142 A T H X S+ 0 0 71 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.899 106.3 53.5 -58.1 -40.9 6.8 -27.3 42.0 141 143 A L H >< S+ 0 0 43 -4,-1.9 3,-0.7 -5,-0.2 -1,-0.2 0.918 110.9 46.3 -61.8 -42.7 10.6 -26.8 41.9 142 144 A S H >< S+ 0 0 1 -4,-2.0 3,-2.0 1,-0.2 -31,-0.2 0.928 107.5 57.3 -58.9 -44.3 10.3 -24.2 44.7 143 145 A L H 3< S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.558 83.6 80.1 -76.0 -4.9 8.0 -26.4 46.7 144 146 A K T << S+ 0 0 155 -4,-0.8 2,-0.3 -3,-0.7 -1,-0.3 0.669 97.7 56.1 -62.8 -18.5 10.6 -29.2 46.8 145 147 A H S < S- 0 0 63 -3,-2.0 -34,-0.3 -4,-0.2 3,-0.1 -0.869 95.7-108.7-112.7 152.6 12.0 -27.0 49.6 146 148 A G - 0 0 60 -2,-0.3 -35,-0.1 1,-0.1 -2,-0.1 -0.264 46.2 -87.9 -69.4 160.4 10.4 -25.7 52.7 147 149 A V - 0 0 69 1,-0.1 -37,-0.2 -37,-0.1 -1,-0.1 -0.353 31.1-137.8 -63.8 156.4 9.6 -22.1 53.0 148 150 A T S S+ 0 0 75 -39,-2.5 2,-0.3 1,-0.2 -1,-0.1 0.544 77.1 3.9 -96.5 -13.9 12.4 -20.0 54.4 149 151 A N S S- 0 0 28 -40,-0.2 -1,-0.2 -41,-0.1 3,-0.1 -0.969 87.5 -80.5-162.9 164.9 10.4 -17.8 56.7 150 152 A A S > S- 0 0 57 -2,-0.3 3,-2.2 1,-0.2 4,-0.4 -0.331 70.5 -71.0 -68.5 155.6 6.8 -17.4 58.0 151 153 A P T 3 S- 0 0 28 0, 0.0 -43,-0.2 0, 0.0 -1,-0.2 -0.211 117.4 -4.1 -54.7 126.1 4.4 -15.5 55.8 152 154 A G T 3 S+ 0 0 17 -45,-2.6 -44,-0.2 2,-0.2 -2,-0.1 0.340 103.3 115.0 82.3 -5.7 5.2 -11.8 55.7 153 155 A A S < S+ 0 0 71 -3,-2.2 2,-0.3 -46,-0.3 -45,-0.1 0.679 74.1 7.9 -78.6 -25.6 8.0 -12.2 58.2 154 156 A A - 0 0 41 -4,-0.4 2,-0.5 -47,-0.3 -45,-0.3 -0.992 69.9-108.5-156.7 148.1 11.2 -11.3 56.3 155 157 A Y + 0 0 59 -2,-0.3 2,-0.3 116,-0.2 -48,-0.2 -0.754 43.6 157.7 -80.6 128.0 12.4 -10.0 53.0 156 158 A S - 0 0 51 -50,-2.7 -47,-0.2 -2,-0.5 -48,-0.2 -0.838 40.0-126.6-151.9 106.8 14.0 -12.7 50.9 157 159 A Y + 0 0 53 -2,-0.3 2,-0.3 -50,-0.1 -45,-0.2 -0.286 36.6 172.5 -57.9 132.3 14.2 -12.1 47.2 158 160 A S >> - 0 0 1 -55,-0.2 3,-1.4 1,-0.1 4,-0.5 -0.908 37.4-152.9-147.5 126.9 12.7 -14.9 45.2 159 161 A N H >> S+ 0 0 18 -2,-0.3 4,-1.4 1,-0.3 3,-1.0 0.809 95.9 73.1 -57.0 -33.1 11.9 -15.4 41.5 160 162 A T H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.853 87.5 63.2 -53.2 -36.3 9.2 -17.8 42.6 161 163 A N H <> S+ 0 0 0 -3,-1.4 4,-1.6 1,-0.2 -1,-0.3 0.873 105.7 42.3 -59.0 -39.8 7.2 -14.8 43.8 162 164 A F H - 0 0 49 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.355 33.7-115.8 -70.0 157.4 -1.4 -14.6 28.4 177 179 A V H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.893 117.2 59.3 -61.0 -36.3 1.1 -12.4 30.2 178 180 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 106.4 46.7 -57.3 -46.1 2.3 -11.2 26.8 179 181 A T H > S+ 0 0 57 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.918 113.6 48.2 -60.2 -44.2 -1.2 -10.0 25.9 180 182 A E H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.923 112.0 47.9 -67.4 -42.7 -1.6 -8.2 29.2 181 183 A Y H X>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.2 4,-1.9 0.928 114.7 48.2 -61.0 -43.9 1.8 -6.5 29.0 182 184 A Q H <>S+ 0 0 80 -4,-2.3 5,-2.8 -5,-0.3 -2,-0.2 0.951 118.0 38.1 -61.6 -49.9 1.0 -5.4 25.4 183 185 A N H <5S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.838 125.5 35.7 -75.2 -33.0 -2.5 -4.1 26.1 184 186 A R H <5S+ 0 0 37 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.622 136.4 2.9 -93.9 -20.9 -1.8 -2.5 29.5 185 187 A I T X5S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 6,-0.2 0.608 121.5 49.0-131.7 -61.9 1.7 -1.2 29.1 186 188 A F T 4XS+ 0 0 3 -5,-2.6 5,-2.6 1,-0.2 4,-0.4 0.917 116.6 39.2 -65.1 -47.2 3.5 -1.6 25.8 187 189 A T T >4 < + 0 0 6 -5,-2.6 3,-1.9 -6,-0.2 -1,-0.2 -0.524 4.2 173.3 -85.6 78.6 7.1 1.0 23.8 192 194 A T T 3 S+ 0 0 85 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.609 75.4 47.6 -70.3 -12.9 8.3 0.2 20.3 193 195 A D T 3 S+ 0 0 24 -3,-0.1 2,-0.4 48,-0.1 -1,-0.3 0.275 93.6 98.1-104.9 9.7 11.4 -1.6 21.5 194 196 A T < + 0 0 3 -3,-1.9 2,-0.3 46,-0.1 46,-0.2 -0.854 45.6 161.2-113.9 132.6 9.7 -3.7 24.2 195 197 A F B -K 239 0D 54 44,-2.2 44,-2.7 -2,-0.4 2,-0.4 -0.960 34.1-157.5-145.2 155.6 8.7 -7.3 23.8 196 198 A Y + 0 0 23 -2,-0.3 42,-0.1 42,-0.2 -14,-0.1 -0.906 29.4 157.0-134.9 101.4 7.7 -10.4 25.6 197 199 A V > - 0 0 41 40,-0.4 3,-2.5 -2,-0.4 5,-0.1 0.311 25.2-171.6-112.4 4.4 8.3 -13.3 23.2 198 200 A H T 3 + 0 0 42 1,-0.4 -20,-0.1 39,-0.2 3,-0.1 -0.145 68.4 20.3 -46.8 136.0 8.7 -16.3 25.5 199 201 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.4 0, 0.0 31,-0.1 -0.934 100.6 101.4 -93.4 18.5 9.6 -19.0 24.6 200 202 A D < - 0 0 82 -3,-2.5 27,-0.2 1,-0.1 -3,-0.2 -0.326 56.0-155.4 -62.0 143.5 11.2 -17.6 21.5 201 203 A T + 0 0 48 25,-0.1 26,-0.5 -3,-0.1 2,-0.3 0.529 61.8 97.7 -97.3 -13.0 14.9 -17.3 21.8 202 204 A V - 0 0 66 24,-0.1 -5,-0.1 -5,-0.1 -2,-0.0 -0.594 65.9-141.2 -81.7 139.1 15.4 -14.6 19.2 203 205 A I - 0 0 2 -2,-0.3 4,-0.1 2,-0.1 2,-0.1 -0.907 30.2-122.2 -93.8 117.2 15.8 -10.9 20.2 204 206 A P - 0 0 35 0, 0.0 -149,-0.1 0, 0.0 -9,-0.0 -0.359 67.3 -12.2 -64.4 138.5 13.9 -8.9 17.6 205 207 A G S S- 0 0 50 -2,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.083 115.0 -11.6 70.9-172.6 15.9 -6.2 15.7 206 208 A T S S+ 0 0 97 -153,-0.1 -151,-2.4 -152,-0.0 2,-0.3 -0.462 77.9 165.8 -67.1 131.3 19.3 -4.8 16.5 207 209 A H B -i 55 0C 29 -153,-0.3 2,-0.4 -2,-0.2 -151,-0.2 -0.920 41.5-105.2-145.4 157.5 20.4 -5.9 19.9 208 210 A A - 0 0 0 -153,-2.5 2,-0.2 -2,-0.3 -151,-0.2 -0.726 39.4-127.9 -75.5 134.9 23.3 -6.2 22.3 209 211 A N - 0 0 16 -167,-2.4 2,-0.4 -2,-0.4 93,-0.0 -0.549 23.0-126.5 -76.6 151.9 24.6 -9.8 22.6 210 212 A G - 0 0 0 -2,-0.2 14,-2.6 91,-0.1 15,-0.7 -0.863 16.8-158.4-102.0 142.2 24.9 -11.0 26.2 211 213 A Y E -Mn 223 323F 6 111,-1.3 113,-1.1 91,-1.0 2,-0.5 -0.944 7.0-149.9-127.9 110.5 28.1 -12.5 27.5 212 214 A L E -Mn 222 324F 2 10,-3.0 10,-2.2 -2,-0.5 113,-0.1 -0.666 14.3-137.5 -81.2 125.2 27.9 -14.8 30.6 213 215 A T - 0 0 24 111,-1.8 8,-0.1 -2,-0.5 7,-0.1 -0.660 23.3-126.2 -80.4 129.4 31.1 -14.7 32.7 214 216 A P - 0 0 12 0, 0.0 5,-0.2 0, 0.0 4,-0.1 -0.302 17.0-114.9 -72.0 162.0 32.1 -18.2 33.9 215 217 A D S S+ 0 0 77 2,-0.1 2,-0.5 3,-0.1 -2,-0.0 0.794 96.2 86.0 -66.2 -24.8 32.6 -19.0 37.5 216 218 A E S > S- 0 0 131 4,-0.1 3,-2.4 1,-0.1 0, 0.0 -0.662 91.8-114.6 -81.6 122.1 36.3 -19.6 36.9 217 219 A A T 3 S+ 0 0 108 -2,-0.5 -2,-0.1 1,-0.3 -1,-0.1 -0.289 100.0 14.3 -55.2 136.6 38.3 -16.4 37.1 218 220 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.3 -4,-0.1 3,-0.1 0.396 93.5 147.4 79.0 -2.7 39.8 -15.5 33.7 219 221 A G < - 0 0 29 -3,-2.4 -1,-0.2 -5,-0.2 2,-0.0 -0.243 56.8 -89.9 -68.3 156.4 37.6 -18.0 31.8 220 222 A A - 0 0 87 1,-0.1 -1,-0.1 -7,-0.1 -4,-0.1 -0.300 46.7-109.0 -63.2 139.5 36.3 -17.4 28.3 221 223 A L - 0 0 38 -8,-0.1 2,-0.5 -3,-0.1 -8,-0.2 -0.407 25.7-138.7 -71.3 148.9 33.0 -15.6 28.0 222 224 A V E -M 212 0F 44 -10,-2.2 -10,-3.0 -2,-0.1 2,-0.6 -0.909 16.3-123.0-110.1 129.1 29.9 -17.6 26.8 223 225 A D E +M 211 0F 70 -2,-0.5 -12,-0.2 -12,-0.2 3,-0.1 -0.611 37.0 168.9 -71.0 113.5 27.4 -16.0 24.4 224 226 A S + 0 0 0 -14,-2.6 -13,-0.2 -2,-0.6 -1,-0.2 0.189 36.1 115.2-113.5 17.2 24.2 -16.2 26.3 225 227 A T + 0 0 2 -15,-0.7 2,-0.7 1,-0.1 -1,-0.1 0.857 67.0 55.6 -53.8 -50.5 22.1 -14.0 24.0 226 228 A E + 0 0 91 -3,-0.1 2,-0.3 -16,-0.1 -24,-0.1 -0.819 69.5 123.6-102.9 110.9 19.6 -16.5 22.7 227 229 A Q - 0 0 0 -2,-0.7 -97,-0.2 -26,-0.5 -98,-0.1 -0.967 63.2-116.8-155.5 163.3 17.6 -18.4 25.4 228 230 A T - 0 0 8 -99,-2.7 -98,-0.1 -2,-0.3 5,-0.1 0.762 29.5-148.8 -74.4 -29.5 13.9 -19.0 26.2 229 231 A V >> + 0 0 1 -100,-0.2 4,-2.7 1,-0.1 3,-1.8 0.719 51.4 141.1 58.2 26.5 14.1 -17.3 29.6 230 232 A S T 34 + 0 0 0 -99,-0.4 -1,-0.1 1,-0.3 -98,-0.1 0.762 57.0 68.7 -71.4 -22.1 11.4 -19.8 30.5 231 233 A W T 34 S+ 0 0 18 -103,-0.2 -1,-0.3 -100,-0.1 -114,-0.1 0.665 116.8 23.1 -65.4 -18.0 13.0 -20.3 33.9 232 234 A A T X4 S+ 0 0 0 -3,-1.8 3,-2.6 1,-0.1 -2,-0.2 0.733 75.7 154.0-118.4 -46.6 11.9 -16.7 34.7 233 235 A Q G >X S+ 0 0 8 -4,-2.7 4,-2.8 1,-0.3 3,-2.1 -0.237 84.8 12.9 52.7-119.1 8.9 -15.7 32.5 234 236 A S G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 -168,-0.3 0.524 132.2 55.7 -69.5 -3.2 6.9 -13.0 34.4 235 237 A A G <4 S- 0 0 0 -3,-2.6 -172,-0.5 -169,-0.1 -1,-0.3 0.512 134.2 -12.4 -94.6 -11.9 9.9 -12.7 36.8 236 238 A G T <4 S+ 0 0 3 -3,-2.1 -177,-0.4 -174,-0.2 -2,-0.2 0.569 95.3 100.1-169.1 5.4 12.5 -12.0 34.0 237 239 A A < + 0 0 7 -4,-2.8 -40,-0.4 -179,-0.1 -39,-0.2 0.370 46.1 121.1-100.8 8.0 11.8 -12.4 30.3 238 240 A V - 0 0 0 -179,-0.4 -180,-2.1 -5,-0.3 -179,-0.5 -0.401 46.4-152.2 -70.0 144.2 11.0 -8.8 29.0 239 241 A I E +JK 57 195D 0 -44,-2.7 -44,-2.2 -182,-0.2 2,-0.2 -0.918 32.5 140.9-106.9 138.0 13.1 -7.4 26.2 240 242 A S E -J 56 0D 0 -184,-2.5 -184,-2.3 -2,-0.4 2,-0.3 -0.789 39.3-113.3-155.7-164.3 13.5 -3.6 26.0 241 243 A S > - 0 0 0 -2,-0.2 4,-2.5 -186,-0.2 5,-0.3 -0.907 34.6-104.0-136.4 166.8 15.7 -0.6 25.4 242 244 A T H > S+ 0 0 0 -190,-0.7 4,-2.1 -188,-0.3 5,-0.2 0.912 121.0 50.4 -61.4 -42.2 17.1 2.3 27.4 243 245 A Q H > S+ 0 0 86 -191,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.931 112.2 46.8 -61.7 -45.1 14.6 4.7 25.9 244 246 A D H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.896 111.1 49.4 -70.8 -37.1 11.6 2.4 26.7 245 247 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.896 111.1 51.5 -67.9 -35.7 12.6 1.6 30.3 246 248 A D H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.945 111.5 47.4 -60.5 -47.0 13.0 5.4 30.9 247 249 A T H X S+ 0 0 53 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.921 113.1 49.9 -57.3 -47.7 9.6 5.9 29.4 248 250 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.953 113.6 41.3 -60.0 -54.3 8.1 3.1 31.6 249 251 A F H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.865 114.7 52.6 -70.2 -30.7 9.5 4.2 34.9 250 252 A S H X S+ 0 0 34 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.921 111.0 47.4 -64.3 -42.6 8.8 7.8 34.2 251 253 A A H <>S+ 0 0 2 -4,-2.4 5,-2.7 -5,-0.3 6,-0.5 0.904 113.0 50.0 -64.0 -40.0 5.2 7.0 33.4 252 254 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.3 4,-0.2 5,-0.3 0.965 114.4 41.3 -59.7 -56.4 4.9 4.8 36.6 253 255 A M H 3<5S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.804 110.9 57.5 -70.2 -29.1 6.3 7.4 39.0 254 256 A S T 3<5S- 0 0 55 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.426 119.6-105.8 -83.0 0.9 4.3 10.3 37.4 255 257 A G T < 5S+ 0 0 41 -3,-1.3 3,-0.3 -4,-0.4 -3,-0.2 0.676 83.0 121.7 97.0 15.5 1.1 8.5 38.0 256 258 A Q < + 0 0 126 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 0.565 66.6 53.6 -92.0 -8.6 0.1 7.2 34.5 257 259 A L S S- 0 0 10 -6,-0.5 2,-0.3 -5,-0.3 -1,-0.2 0.454 114.4 -3.9-111.0 -2.0 -0.1 3.5 35.0 258 260 A M S S- 0 0 22 -3,-0.3 -1,-0.1 -6,-0.1 -186,-0.1 -0.957 88.2 -62.4-170.9 174.2 -2.5 2.9 37.9 259 261 A S > - 0 0 43 -2,-0.3 4,-2.3 -188,-0.2 5,-0.2 -0.286 46.8-112.8 -66.8 159.7 -4.6 4.8 40.5 260 262 A A H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.889 118.0 57.1 -56.2 -40.4 -2.9 7.0 43.1 261 263 A A H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 108.6 44.8 -59.7 -45.2 -4.0 4.5 45.8 262 264 A Q H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.866 109.7 54.2 -73.3 -33.3 -2.3 1.6 44.1 263 265 A L H X S+ 0 0 21 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.899 107.2 53.2 -62.9 -37.5 0.9 3.5 43.4 264 266 A A H >< S+ 0 0 56 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.920 108.6 48.7 -62.6 -40.7 1.0 4.3 47.1 265 267 A Q H >< S+ 0 0 44 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.896 107.0 56.6 -61.6 -40.6 0.7 0.6 47.8 266 268 A M H 3< S+ 0 0 0 -4,-2.3 14,-1.8 1,-0.3 -1,-0.2 0.747 107.0 50.4 -59.9 -30.4 3.5 -0.1 45.4 267 269 A Q T << S+ 0 0 28 -4,-1.1 2,-1.0 -3,-0.6 -1,-0.3 0.106 71.4 120.6-100.0 20.7 5.7 2.2 47.4 268 270 A Q < - 0 0 99 -3,-1.6 2,-0.4 -5,-0.1 10,-0.1 -0.761 64.5-137.5 -82.1 105.8 5.1 0.8 50.8 269 271 A W - 0 0 73 -2,-1.0 2,-0.5 8,-0.1 10,-0.2 -0.554 20.8-160.4 -84.1 129.0 8.8 -0.1 51.5 270 272 A T E -C 278 0A 31 8,-3.0 8,-2.2 -2,-0.4 2,-0.2 -0.868 39.6-108.3 -89.1 126.9 10.1 -3.3 53.0 271 273 A T E +C 277 0A 111 -2,-0.5 6,-0.3 6,-0.2 -116,-0.2 -0.433 43.0 168.4 -63.3 131.3 13.6 -2.6 54.3 272 274 A V E S- 0 0 43 4,-2.8 2,-0.3 1,-0.5 5,-0.2 0.777 71.1 -33.1-103.7 -50.3 16.4 -4.3 52.3 273 275 A N E > S-C 276 0A 69 3,-1.7 3,-1.5 0, 0.0 -1,-0.5 -0.872 80.5 -72.3-155.1-172.7 19.3 -2.4 53.9 274 276 A S T 3 S+ 0 0 115 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 0.700 133.4 31.8 -68.5 -9.0 19.9 1.0 55.3 275 277 A T T 3 S+ 0 0 65 1,-0.1 11,-2.8 9,-0.0 2,-0.3 0.184 115.7 61.4-126.1 14.8 19.9 2.6 51.8 276 278 A Q E < +CD 273 285A 31 -3,-1.5 -4,-2.8 9,-0.2 -3,-1.7 -0.999 49.8 179.6-147.8 145.0 17.4 0.3 50.0 277 279 A G E -CD 271 284A 0 7,-1.8 7,-2.4 -2,-0.3 2,-0.4 -0.899 18.0-141.4-133.8 164.9 13.7 -0.8 50.1 278 280 A Y E +CD 270 283A 0 -8,-2.2 -8,-3.0 -2,-0.3 5,-0.2 -1.000 21.0 172.8-128.4 129.0 11.4 -3.1 48.2 279 281 A G - 0 0 0 3,-3.1 2,-0.6 -2,-0.4 -12,-0.2 0.487 63.2 -40.5 -99.7-120.3 7.8 -2.2 47.5 280 282 A L S S- 0 0 4 -14,-1.8 -175,-0.2 1,-0.1 3,-0.1 -0.931 124.1 -31.0-115.4 97.5 5.5 -4.3 45.3 281 283 A G S S+ 0 0 0 -177,-2.1 2,-0.3 -2,-0.6 -214,-0.2 0.847 124.5 100.6 59.7 37.3 7.7 -5.2 42.4 282 284 A L - 0 0 0 -178,-0.2 -3,-3.1 -16,-0.1 2,-0.3 -0.993 58.2-146.5-153.4 142.9 9.6 -2.0 42.8 283 285 A R E -DE 278 295A 26 12,-3.1 12,-2.5 -2,-0.3 2,-0.4 -0.890 1.5-153.2-115.9 148.4 12.9 -0.9 44.4 284 286 A R E -DE 277 294A 38 -7,-2.4 -7,-1.8 -2,-0.3 2,-0.4 -0.975 10.3-170.9-114.8 131.9 14.1 2.2 46.2 285 287 A R E -DE 276 293A 51 8,-2.5 8,-2.7 -2,-0.4 2,-0.6 -0.992 13.4-147.3-122.3 129.5 17.7 3.2 46.2 286 288 A D E - E 0 292A 46 -11,-2.8 6,-0.2 -2,-0.4 2,-0.1 -0.870 20.8-147.1 -95.9 119.4 19.0 6.0 48.4 287 289 A L > - 0 0 13 4,-3.4 3,-2.3 -2,-0.6 4,-0.2 -0.413 23.8-106.0 -92.0 163.6 21.9 7.9 46.8 288 290 A S T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.2 50,-0.0 0.762 115.9 57.2 -59.5 -29.5 24.8 9.5 48.5 289 291 A a T 3 S- 0 0 61 2,-0.1 -1,-0.3 49,-0.0 3,-0.1 0.291 123.3 -97.0 -90.8 11.2 23.5 13.0 47.9 290 292 A G S < S+ 0 0 73 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.683 84.6 125.9 84.7 19.8 20.2 12.4 49.8 291 293 A I - 0 0 31 -4,-0.2 -4,-3.4 19,-0.0 2,-0.4 -0.933 46.6-150.6-100.1 138.7 18.1 11.7 46.7 292 294 A S E -E 286 0A 35 -2,-0.4 19,-0.4 -6,-0.2 2,-0.3 -0.863 10.9-164.1-105.8 146.9 16.1 8.5 46.5 293 295 A V E -E 285 0A 0 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.4 -0.869 5.6-145.1-131.0 161.1 15.3 6.8 43.1 294 296 A Y E +EF 284 309A 21 15,-2.6 15,-2.6 -2,-0.3 2,-0.3 -0.968 46.8 73.2-137.0 131.7 12.7 4.2 42.2 295 297 A G E -EF 283 308A 0 -12,-2.5 -12,-3.1 -2,-0.4 2,-0.3 -0.919 66.4 -75.0 163.5-136.8 12.7 1.4 39.7 296 298 A H E - F 0 307A 0 11,-2.7 11,-2.0 -2,-0.3 2,-0.2 -0.993 21.3-130.0-158.4 152.1 14.4 -2.0 39.4 297 299 A T E - F 0 306A 18 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.610 23.7-149.3 -89.5 160.8 17.6 -3.8 38.6 298 300 A G E + F 0 305A 0 7,-2.6 7,-2.7 -2,-0.2 2,-0.4 -0.997 18.4 172.7-135.6 133.9 17.9 -6.6 36.2 299 301 A T E + F 0 304A 65 -2,-0.4 -239,-0.9 5,-0.2 2,-0.3 -0.984 15.4 144.2-130.9 143.1 20.1 -9.6 36.0 300 302 A V E > - F 0 303A 7 3,-1.1 3,-2.6 -2,-0.4 2,-0.1 -0.895 67.1 -57.7-163.4 158.7 19.7 -12.4 33.4 301 303 A Q T 3 S+ 0 0 12 -2,-0.3 -89,-0.2 1,-0.3 -244,-0.1 -0.267 124.6 0.3 -58.7 121.0 22.5 -14.3 31.8 302 304 A G T 3 S+ 0 0 0 -91,-0.3 -91,-1.0 -92,-0.1 2,-0.4 0.399 117.1 85.7 87.4 0.5 24.8 -11.9 30.0 303 305 A Y E < -F 300 0A 0 -3,-2.6 -3,-1.1 19,-0.2 2,-0.5 -0.962 47.0-173.8-142.0 125.6 22.9 -8.6 30.9 304 306 A Y E -FG 299 321A 11 17,-2.7 17,-2.2 -2,-0.4 2,-0.4 -0.963 17.6-176.1-114.3 125.6 23.0 -6.3 33.9 305 307 A T E -FG 298 320A 0 -7,-2.7 -7,-2.6 -2,-0.5 2,-0.4 -0.943 19.2-172.8-122.5 141.4 20.4 -3.5 34.0 306 308 A Y E +FG 297 319A 9 13,-2.3 13,-2.7 -2,-0.4 2,-0.4 -0.998 12.6 173.4-122.8 127.3 19.7 -0.6 36.2 307 309 A A E +FG 296 318A 0 -11,-2.0 -11,-2.7 -2,-0.4 2,-0.3 -0.933 14.4 152.6-136.9 108.2 16.5 1.4 35.5 308 310 A F E -FG 295 317A 1 9,-2.4 9,-2.7 -2,-0.4 2,-0.3 -0.982 20.7-166.9-139.8 151.1 15.5 4.1 38.0 309 311 A A E -FG 294 316A 0 -15,-2.6 -15,-2.6 -2,-0.3 7,-0.2 -0.910 30.4 -99.6-132.9 156.6 13.5 7.3 38.0 310 312 A S > - 0 0 6 5,-2.7 3,-1.9 -2,-0.3 -17,-0.1 -0.241 49.1 -95.1 -66.9 166.3 13.1 10.3 40.4 311 313 A K T 3 S+ 0 0 123 -19,-0.4 -1,-0.1 1,-0.3 -18,-0.1 0.836 127.2 41.5 -60.8 -33.8 10.0 10.4 42.6 312 314 A D T 3 S- 0 0 79 -58,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.422 110.2-120.7 -93.9 5.3 8.1 12.6 40.1 313 315 A G S < S+ 0 0 1 -3,-1.9 -59,-0.1 2,-0.2 -2,-0.1 0.458 78.4 122.4 72.7 2.4 9.3 10.7 37.1 314 316 A K S S+ 0 0 117 1,-0.2 -283,-2.5 -61,-0.1 2,-0.4 0.767 73.2 38.9 -74.0 -26.2 11.0 13.7 35.6 315 317 A R E S+B 30 0A 8 -285,-0.2 -5,-2.7 -284,-0.1 2,-0.3 -0.994 71.4 173.9-121.3 129.5 14.4 12.2 35.4 316 318 A S E -BG 29 309A 4 -287,-2.0 -287,-2.6 -2,-0.4 2,-0.4 -0.963 9.1-167.1-132.8 150.5 14.9 8.6 34.5 317 319 A V E -BG 28 308A 0 -9,-2.7 -9,-2.4 -2,-0.3 2,-0.4 -0.999 6.0-174.8-138.4 134.6 18.1 6.6 33.9 318 320 A T E -BG 27 307A 1 -291,-2.2 -291,-2.4 -2,-0.4 2,-0.4 -0.995 8.2-177.6-131.7 126.0 18.7 3.2 32.3 319 321 A A E -BG 26 306A 0 -13,-2.7 -13,-2.3 -2,-0.4 2,-0.4 -0.947 1.4-173.8-122.1 144.4 22.1 1.6 32.2 320 322 A L E -BG 25 305A 0 -295,-2.4 -295,-2.5 -2,-0.4 2,-0.4 -0.998 12.0-174.5-140.6 133.0 23.1 -1.8 30.7 321 323 A A E -BG 24 304A 0 -17,-2.2 -17,-2.7 -2,-0.4 2,-1.0 -0.994 27.7-134.1-120.1 134.5 26.3 -3.8 30.7 322 324 A N S S+ 0 0 0 -299,-1.7 -111,-1.3 -2,-0.4 2,-0.3 -0.212 77.6 73.3 -91.7 50.4 26.3 -6.9 28.4 323 325 A T E -n 211 0F 0 -2,-1.0 2,-0.3 -113,-0.2 -111,-0.2 -0.949 55.2-171.5-138.1 168.3 27.8 -9.3 30.9 324 326 A S E +n 212 0F 7 -113,-1.1 -111,-1.8 -2,-0.3 -20,-0.1 -0.915 62.0 54.7-146.8-179.5 26.6 -11.0 34.0 325 327 A N S S+ 0 0 57 -2,-0.3 2,-0.3 -113,-0.1 -1,-0.1 0.898 82.8 110.6 55.6 44.2 28.1 -13.1 36.8 326 328 A N > - 0 0 23 -3,-0.1 4,-2.3 1,-0.1 3,-0.2 -0.786 46.8-174.3-146.5 88.4 30.6 -10.3 37.4 327 329 A V H > S+ 0 0 94 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.848 83.5 60.1 -62.7 -28.7 30.0 -8.5 40.6 328 330 A N H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.959 109.8 42.9 -60.4 -46.6 32.7 -5.9 39.9 329 331 A V H > S+ 0 0 0 -310,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.914 113.0 52.8 -63.0 -44.4 30.7 -4.9 36.8 330 332 A L H X S+ 0 0 38 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.932 112.9 44.0 -58.2 -46.0 27.4 -5.0 38.7 331 333 A N H X S+ 0 0 104 -4,-2.8 4,-0.6 1,-0.2 3,-0.4 0.901 113.2 50.9 -67.0 -43.0 28.7 -2.8 41.4 332 334 A T H >< S+ 0 0 10 -4,-2.5 3,-1.9 -5,-0.3 4,-0.3 0.929 104.9 56.5 -60.3 -44.4 30.4 -0.4 39.0 333 335 A M H >< S+ 0 0 1 -4,-2.8 3,-1.7 1,-0.3 4,-0.3 0.804 95.1 66.4 -63.2 -27.4 27.2 0.0 36.9 334 336 A A H >X S+ 0 0 14 -4,-1.1 3,-1.6 -3,-0.4 4,-0.6 0.775 86.5 72.0 -59.7 -26.3 25.3 1.1 40.0 335 337 A R H S+ 0 0 0 -3,-1.7 4,-2.5 -4,-0.3 -1,-0.3 0.845 90.1 56.6 -57.4 -32.5 25.6 5.5 36.9 337 339 A L H <>>S+ 0 0 0 -3,-1.6 4,-2.3 -4,-0.3 5,-0.6 0.910 106.0 49.5 -68.0 -39.8 22.8 6.4 39.3 338 340 A E H X>S+ 0 0 58 -4,-0.6 4,-1.9 1,-0.2 5,-1.2 0.954 115.4 42.4 -58.8 -55.5 25.2 8.6 41.4 339 341 A S H <5S+ 0 0 16 -4,-2.3 -334,-2.3 3,-0.2 4,-0.3 0.889 118.3 45.3 -64.4 -37.6 26.5 10.4 38.3 340 342 A A H <5S+ 0 0 0 -4,-2.5 -1,-0.2 -336,-0.2 -2,-0.2 0.825 128.8 22.0 -76.6 -35.3 23.1 10.8 36.7 341 343 A F H <5S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.822 131.4 36.1-100.3 -46.1 21.1 12.0 39.7 342 344 A a T <