==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-SEP-06 2ICS . COMPND 2 MOLECULE: ADENINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR R.SUGADEV,D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX . 368 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 30 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 2 1 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 2 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 2 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 4 A D 0 0 154 0, 0.0 2,-0.3 0, 0.0 36,-0.2 0.000 360.0 360.0 360.0 133.2 5.5 24.5 -1.7 2 5 A Y E -a 37 0A 55 34,-1.0 36,-1.4 1,-0.1 20,-0.2 -0.873 360.0-130.4-142.6 170.2 8.5 23.0 0.1 3 6 A D E S+ 0 0 63 18,-3.0 36,-1.6 1,-0.3 2,-0.4 0.833 91.7 15.5 -93.1 -42.3 9.8 19.5 0.5 4 7 A L E -aB 39 21A 7 17,-2.5 17,-3.8 34,-0.2 2,-0.4 -0.991 61.1-172.2-137.3 143.2 10.3 19.6 4.3 5 8 A L E -aB 40 20A 3 34,-1.4 36,-3.4 -2,-0.4 2,-0.5 -0.998 6.4-161.7-137.0 129.9 9.0 21.9 7.0 6 9 A I E -aB 41 19A 1 13,-2.5 13,-1.5 -2,-0.4 2,-0.2 -0.956 17.3-173.7-116.3 119.7 10.0 21.9 10.7 7 10 A K E +a 42 0A 39 34,-3.2 36,-2.1 -2,-0.5 11,-0.1 -0.722 53.3 26.6-114.9 162.4 7.8 23.6 13.2 8 11 A N E S+ 0 0 80 -2,-0.2 39,-0.4 23,-0.2 38,-0.3 0.651 80.6 146.3 66.3 21.0 7.8 24.5 16.9 9 12 A G E - B 0 17A 6 8,-1.4 8,-2.5 -3,-0.2 2,-0.3 -0.311 31.5-160.2 -83.5 170.5 11.5 24.6 17.1 10 13 A Q E -cB 48 16A 54 37,-0.8 39,-2.0 6,-0.3 2,-0.1 -0.989 14.4-128.2-150.0 139.4 13.6 26.9 19.3 11 14 A T > - 0 0 22 4,-2.5 3,-2.0 -2,-0.3 39,-0.1 -0.382 35.7-102.2 -84.0 169.1 17.3 27.9 19.1 12 15 A V T 3 S+ 0 0 26 37,-0.3 -1,-0.1 1,-0.3 285,-0.1 0.659 122.8 62.1 -64.2 -16.2 19.7 27.7 22.0 13 16 A N T 3 S- 0 0 125 2,-0.1 -1,-0.3 285,-0.1 284,-0.0 0.478 123.8-103.1 -88.2 -3.0 19.3 31.4 22.4 14 17 A G S < S+ 0 0 42 -3,-2.0 -2,-0.1 1,-0.3 34,-0.0 0.660 73.3 145.5 89.8 19.8 15.5 31.0 23.2 15 18 A X - 0 0 118 -4,-0.1 -4,-2.5 1,-0.0 -1,-0.3 -0.775 51.7-121.7 -96.0 129.2 14.3 32.1 19.7 16 19 A P E -B 10 0A 78 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.454 41.6-179.5 -65.5 135.9 11.3 30.5 18.1 17 20 A V E -B 9 0A 7 -8,-2.5 -8,-1.4 14,-0.1 2,-0.4 -0.999 25.0-178.8-146.8 146.4 12.2 29.0 14.8 18 21 A E E - D 0 30A 17 12,-2.0 12,-2.0 -2,-0.3 2,-0.4 -0.992 17.4-152.6-137.9 138.2 10.7 27.1 11.9 19 22 A I E -BD 6 29A 0 -13,-1.5 -13,-2.5 -2,-0.4 2,-0.5 -0.955 2.6-156.7-121.4 134.8 12.7 25.9 8.8 20 23 A A E -BD 5 28A 0 8,-3.2 7,-2.9 -2,-0.4 8,-1.5 -0.920 15.5-166.5-108.9 129.4 11.5 25.3 5.3 21 24 A I E +BD 4 26A 2 -17,-3.8 -18,-3.0 -2,-0.5 -17,-2.5 -0.938 15.8 161.7-122.8 139.5 13.5 23.0 3.1 22 25 A K E > + D 0 25A 108 3,-2.3 3,-0.9 -2,-0.4 341,-0.0 -0.939 68.3 3.8-155.1 129.1 13.5 22.3 -0.7 23 26 A E T 3 S- 0 0 131 -2,-0.3 340,-0.1 1,-0.2 3,-0.1 0.943 125.9 -59.3 63.1 51.6 16.1 20.6 -2.9 24 27 A K T 3 S+ 0 0 125 1,-0.2 302,-2.6 338,-0.2 2,-0.3 0.602 119.9 102.0 55.4 12.0 18.5 19.7 -0.1 25 28 A K E < S-DE 22 325A 100 -3,-0.9 -3,-2.3 300,-0.3 2,-0.6 -0.872 82.9-102.7-125.9 158.7 18.7 23.4 0.7 26 29 A I E +D 21 0A 3 298,-3.4 297,-2.8 295,-0.3 -5,-0.2 -0.694 36.1 177.4 -78.9 118.4 17.3 25.7 3.3 27 30 A A E - 0 0 23 -7,-2.9 2,-0.3 -2,-0.6 -6,-0.2 0.671 61.4 -1.7 -96.9 -20.7 14.5 27.7 1.6 28 31 A A E -D 20 0A 18 -8,-1.5 -8,-3.2 293,-0.1 2,-0.4 -0.943 50.8-167.0-169.8 147.5 13.2 29.8 4.5 29 32 A V E +D 19 0A 49 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.975 28.8 131.4-143.0 124.8 13.7 30.4 8.2 30 33 A A E -D 18 0A 43 -12,-2.0 -12,-2.0 -2,-0.4 3,-0.2 -0.975 67.0 -97.7-163.0 167.3 11.4 32.3 10.5 31 34 A A S S+ 0 0 49 -2,-0.3 2,-0.3 1,-0.3 -23,-0.2 0.843 116.7 17.0 -61.2 -31.9 9.6 32.2 13.9 32 35 A T - 0 0 104 -14,-0.1 2,-0.5 -16,-0.1 -1,-0.3 -0.983 66.9-171.7-145.6 130.0 6.6 31.0 11.9 33 36 A I - 0 0 11 -2,-0.3 2,-0.9 -3,-0.2 -14,-0.1 -0.950 4.5-166.7-125.6 111.4 6.3 29.6 8.4 34 37 A S + 0 0 123 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.845 42.2 109.8 -99.4 104.7 2.9 29.1 6.9 35 38 A G - 0 0 38 -2,-0.9 2,-0.3 2,-0.0 -2,-0.1 -0.980 63.5 -92.2-163.4 172.1 3.3 27.0 3.8 36 39 A S + 0 0 63 -2,-0.3 -34,-1.0 -32,-0.0 2,-0.3 -0.680 40.9 166.9 -95.7 148.5 2.8 23.6 2.1 37 40 A A E -a 2 0A 23 -2,-0.3 -34,-0.3 -36,-0.2 -33,-0.1 -0.984 47.3-114.0-160.1 149.9 5.3 20.8 2.1 38 41 A K E S+ 0 0 161 -36,-1.4 2,-0.3 -2,-0.3 -34,-0.2 0.905 106.4 9.7 -48.7 -49.1 5.6 17.1 1.3 39 42 A E E -a 4 0A 115 -36,-1.6 -34,-1.4 -3,-0.1 2,-0.4 -0.989 68.7-161.3-136.7 145.6 6.2 16.4 4.9 40 43 A T E -a 5 0A 50 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.994 7.8-150.8-130.4 130.3 6.0 18.5 8.0 41 44 A I E -a 6 0A 15 -36,-3.4 -34,-3.2 -2,-0.4 2,-0.7 -0.864 2.8-160.2-103.2 132.2 7.6 17.8 11.4 42 45 A H E -a 7 0A 129 -2,-0.5 -34,-0.2 -36,-0.2 -36,-0.1 -0.869 15.8-153.8-113.8 96.2 6.0 19.1 14.6 43 46 A L - 0 0 11 -36,-2.1 3,-0.1 -2,-0.7 -37,-0.0 -0.240 23.1-102.8 -67.0 155.1 8.6 19.2 17.3 44 47 A E > - 0 0 139 1,-0.1 3,-1.5 2,-0.1 -1,-0.1 -0.529 49.4 -89.4 -76.6 145.8 7.7 18.9 21.0 45 48 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.301 115.7 31.8 -56.5 135.3 7.7 22.2 23.0 46 49 A G T 3 S+ 0 0 50 1,-0.3 2,-0.4 -38,-0.3 287,-0.3 0.471 85.3 136.2 95.4 2.3 11.1 22.9 24.4 47 50 A T < - 0 0 7 -3,-1.5 -37,-0.8 -39,-0.4 -1,-0.3 -0.684 44.8-141.0 -86.5 136.0 13.0 21.2 21.6 48 51 A Y E -cF 10 331A 56 283,-2.9 283,-2.0 -2,-0.4 2,-0.3 -0.618 14.2-167.3 -96.3 157.0 16.1 22.9 20.3 49 52 A V E + F 0 330A 1 -39,-2.0 -37,-0.3 281,-0.2 2,-0.3 -0.997 13.7 158.4-142.6 140.4 17.3 23.2 16.7 50 53 A S E - F 0 329A 7 279,-2.0 279,-1.7 -2,-0.3 3,-0.1 -0.863 50.8 -65.7-147.9-179.5 20.6 24.4 15.3 51 54 A A E S- F 0 328A 8 -2,-0.3 277,-0.3 267,-0.2 269,-0.1 -0.386 78.4 -75.8 -67.1 154.4 22.7 24.1 12.2 52 55 A G - 0 0 3 275,-2.0 266,-0.2 276,-0.2 -1,-0.2 -0.323 58.6-108.9 -55.0 130.3 23.9 20.5 11.7 53 56 A W E -i 80 0B 0 26,-0.9 29,-1.5 -3,-0.1 28,-1.3 -0.317 33.0-153.6 -63.3 145.2 26.7 19.9 14.2 54 57 A I E -i 82 0B 1 250,-3.9 2,-0.8 27,-0.2 29,-0.2 -0.986 11.1-161.8-128.1 125.4 30.2 19.6 12.7 55 58 A D E -i 83 0B 2 27,-2.1 29,-2.1 -2,-0.4 212,-0.1 -0.878 7.5-173.4-105.4 100.7 33.1 17.6 14.2 56 59 A D E S+ 0 0 0 -2,-0.8 2,-0.3 210,-0.3 211,-0.1 0.259 71.0 56.4 -82.8 14.0 36.2 18.9 12.4 57 60 A H E S+ 0 0 0 209,-0.1 212,-2.4 29,-0.0 213,-0.8 -0.750 73.4 132.4-144.9 97.8 38.6 16.4 13.9 58 61 A V E -ij 85 270B 0 26,-2.0 28,-3.3 -2,-0.3 2,-0.4 -0.885 45.5-143.6-140.4 166.5 37.7 12.8 13.3 59 62 A H + 0 0 0 211,-1.2 213,-0.3 -2,-0.3 26,-0.1 -0.867 38.8 143.7-136.6 97.6 39.2 9.5 12.1 60 63 A C + 0 0 1 -2,-0.4 2,-1.2 8,-0.2 8,-0.1 0.008 18.2 125.7-130.0 31.2 36.7 7.5 10.1 61 64 A F > - 0 0 6 6,-0.3 3,-1.9 1,-0.2 9,-0.1 -0.812 47.0-159.2 -88.2 99.4 38.5 5.7 7.3 62 65 A E T 3 S+ 0 0 60 -2,-1.2 -1,-0.2 1,-0.3 8,-0.1 0.636 82.6 58.7 -58.2 -17.2 37.1 2.3 8.2 63 66 A K T 3 S+ 0 0 126 6,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.528 80.1 109.8 -91.7 -5.6 39.9 0.4 6.4 64 67 A X S < S- 0 0 18 -3,-1.9 25,-0.0 5,-0.1 56,-0.0 -0.412 76.4-110.6 -72.7 147.5 42.8 1.9 8.4 65 68 A A S S- 0 0 67 1,-0.1 3,-0.1 -2,-0.1 55,-0.1 0.901 85.0 -27.0 -38.8 -92.9 44.7 -0.3 10.8 66 69 A L S S+ 0 0 120 54,-0.2 2,-1.6 1,-0.2 207,-0.3 0.816 124.9 73.2-100.2 -42.7 43.9 0.7 14.4 67 70 A Y S S+ 0 0 53 52,-0.2 2,-0.3 53,-0.1 -6,-0.3 -0.585 81.6 98.0 -77.6 85.2 43.1 4.4 14.0 68 71 A Y + 0 0 54 -2,-1.6 204,-2.8 -8,-0.1 205,-0.3 -0.955 38.0 174.4-159.0 175.2 39.6 4.1 12.4 69 72 A D - 0 0 0 -2,-0.3 -5,-0.1 202,-0.2 -6,-0.1 -0.956 41.5 -85.5-173.2 176.6 35.8 4.1 12.8 70 73 A Y >> - 0 0 97 -2,-0.3 3,-2.3 1,-0.1 4,-1.0 -0.899 33.3-134.6-105.4 118.2 32.6 4.0 10.9 71 74 A P H >> S+ 0 0 12 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.785 102.1 47.3 -33.0 -54.9 31.4 7.4 9.6 72 75 A D H 34>S+ 0 0 31 1,-0.2 5,-1.8 2,-0.2 6,-0.1 0.696 104.3 61.0 -72.3 -15.4 27.7 7.0 10.6 73 76 A E H <45S+ 0 0 71 -3,-2.3 -1,-0.2 1,-0.2 0, 0.0 0.750 117.9 29.9 -79.2 -23.8 28.5 5.8 14.1 74 77 A I H <<5S+ 0 0 4 -4,-1.0 -2,-0.2 -3,-0.8 209,-0.2 0.446 130.4 39.1-108.8 -7.3 30.3 9.1 14.9 75 78 A G T ><>S+ 0 0 0 -4,-1.1 3,-3.4 -5,-0.3 5,-2.0 0.495 120.0 11.2-106.9-111.3 28.1 11.1 12.6 76 79 A V G > 5S+ 0 0 6 1,-0.3 3,-1.6 3,-0.2 -3,-0.1 0.808 123.9 58.3 -42.0 -42.6 24.4 11.0 11.8 77 80 A K G 3 > - 0 0 0 26,-0.4 4,-1.8 -2,-0.3 3,-1.7 -0.489 50.5 -77.1-110.3-176.2 47.7 10.7 2.5 91 94 A A T 34 S+ 0 0 15 22,-0.5 4,-0.4 1,-0.3 26,-0.1 0.792 127.7 60.2 -54.4 -30.3 47.6 11.2 -1.3 92 95 A E T 34 S+ 0 0 94 24,-2.2 -1,-0.3 1,-0.2 25,-0.1 0.656 120.9 19.0 -76.0 -16.7 48.3 7.5 -1.8 93 96 A N T <> S+ 0 0 13 -3,-1.7 4,-1.5 23,-0.5 3,-0.2 0.412 92.7 96.9-133.5 2.3 45.2 6.2 0.0 94 97 A I H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 -3,-0.1 0.808 82.6 58.8 -64.4 -29.3 42.7 9.1 0.1 95 98 A H H > S+ 0 0 69 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.912 103.7 49.7 -66.8 -42.3 40.9 7.8 -3.0 96 99 A E H > S+ 0 0 98 -3,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.874 115.0 46.2 -63.1 -35.5 40.1 4.5 -1.3 97 100 A F H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.917 109.0 55.2 -71.4 -44.1 38.8 6.5 1.6 98 101 A Y H X S+ 0 0 54 -4,-3.1 4,-0.9 1,-0.2 -2,-0.2 0.886 104.4 53.4 -56.1 -44.2 36.9 8.8 -0.6 99 102 A D H X S+ 0 0 104 -4,-2.3 4,-0.5 1,-0.2 3,-0.5 0.893 113.1 42.4 -60.9 -42.0 35.0 6.0 -2.3 100 103 A L H >< S+ 0 0 37 -4,-1.2 3,-1.2 1,-0.2 4,-0.4 0.886 106.4 63.8 -71.0 -38.6 33.8 4.6 1.0 101 104 A A H >< S+ 0 0 5 -4,-2.6 3,-0.6 1,-0.2 7,-0.2 0.700 94.2 63.0 -58.4 -22.2 33.0 8.1 2.4 102 105 A Q H 3< S+ 0 0 102 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.811 94.6 57.5 -75.4 -30.8 30.4 8.5 -0.3 103 106 A Q T << S+ 0 0 144 -3,-1.2 -1,-0.2 -4,-0.5 2,-0.2 0.519 86.6 102.8 -78.7 -4.0 28.1 5.7 0.9 104 107 A A S < S- 0 0 18 -3,-0.6 4,-0.1 -4,-0.4 -3,-0.0 -0.514 70.1-141.2 -80.9 147.0 27.8 7.3 4.3 105 108 A K S S+ 0 0 103 -2,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.888 86.8 78.4 -71.2 -37.7 24.6 9.1 5.3 106 109 A T S S- 0 0 3 1,-0.1 2,-0.4 -24,-0.0 -24,-0.2 -0.361 95.7-110.1 -69.4 146.9 26.9 11.6 7.1 107 110 A N E -k 82 0B 43 -26,-2.7 -24,-2.2 -27,-0.1 2,-0.5 -0.694 39.8-162.5 -78.3 129.3 28.7 14.2 5.0 108 111 A V E +k 83 0B 12 -2,-0.4 2,-0.3 -7,-0.2 -24,-0.2 -0.965 17.2 167.0-122.9 122.0 32.4 13.3 5.1 109 112 A F E -k 84 0B 35 -26,-2.9 -24,-2.5 -2,-0.5 2,-0.3 -0.724 16.2-155.8-118.5 171.4 35.2 15.6 4.3 110 113 A G E -kl 85 147B 1 36,-2.5 38,-2.3 -26,-0.3 39,-0.7 -0.995 19.3-132.8-153.6 158.0 38.9 15.1 4.9 111 114 A L E -kl 86 149B 0 -26,-2.7 -24,-0.7 -2,-0.3 2,-0.5 -0.888 33.3-127.8-104.3 137.8 42.3 16.7 5.4 112 115 A V E - l 0 150B 0 37,-2.5 39,-1.4 -2,-0.4 -22,-0.2 -0.781 20.9-124.8 -91.7 129.1 45.1 15.1 3.5 113 116 A N E - l 0 151B 0 -24,-2.6 -22,-0.5 -2,-0.5 5,-0.2 -0.483 14.0-130.5 -68.1 139.3 48.1 14.1 5.6 114 117 A I S S+ 0 0 0 37,-1.6 2,-0.7 -2,-0.1 18,-0.3 0.696 95.5 79.7 -66.1 -15.4 51.3 15.7 4.2 115 118 A S S > S- 0 0 0 36,-0.2 3,-3.1 16,-0.2 16,-0.2 -0.849 89.7-131.4 -94.0 117.2 52.8 12.2 4.4 116 119 A K T 3 S+ 0 0 34 14,-2.9 -24,-2.2 -2,-0.7 -23,-0.5 0.648 102.5 43.9 -42.2 -29.3 51.6 10.2 1.4 117 120 A W T > S- 0 0 107 1,-0.3 3,-0.9 7,-0.2 -1,-0.3 0.327 98.2-144.7-102.9 10.5 50.4 7.1 3.4 118 121 A G T < - 0 0 0 -3,-3.1 3,-0.4 -29,-0.3 -1,-0.3 -0.358 63.1 -21.7 66.1-143.2 48.7 9.0 6.1 119 122 A I T 3 S+ 0 0 11 -31,-2.0 -1,-0.2 1,-0.2 -52,-0.2 -0.052 88.0 130.5 -93.5 32.2 49.0 7.5 9.6 120 123 A V S < S+ 0 0 66 -3,-0.9 -1,-0.2 -32,-0.1 -54,-0.2 0.948 80.0 26.2 -48.2 -56.0 49.7 3.9 8.5 121 124 A A S S- 0 0 41 -3,-0.4 3,-0.3 1,-0.1 37,-0.0 -0.256 92.8-112.5 -93.3-172.5 52.6 3.8 10.9 122 125 A Q S S+ 0 0 112 1,-0.2 2,-0.3 -2,-0.1 3,-0.1 0.717 111.5 46.8 -94.5 -24.2 52.9 5.9 14.1 123 126 A D > + 0 0 71 1,-0.1 3,-1.9 36,-0.1 4,-0.4 -0.465 61.8 153.7-115.8 60.0 55.8 8.0 12.9 124 127 A E T 3 S+ 0 0 0 -3,-0.3 -7,-0.2 1,-0.3 -1,-0.1 0.480 76.1 51.6 -69.0 0.1 54.7 9.0 9.4 125 128 A L T 3 S+ 0 0 0 33,-1.6 -1,-0.3 28,-0.1 34,-0.2 0.324 85.4 85.1-114.8 5.2 56.9 12.1 9.5 126 129 A A S < S+ 0 0 34 -3,-1.9 2,-0.7 32,-0.4 35,-0.3 0.779 90.0 52.7 -74.7 -29.0 60.1 10.3 10.6 127 130 A D S > S- 0 0 75 -4,-0.4 3,-1.6 1,-0.1 4,-0.2 -0.910 72.4-165.3-111.5 103.1 60.9 9.5 7.0 128 131 A L G > S+ 0 0 58 -2,-0.7 3,-1.6 1,-0.3 -1,-0.1 0.685 80.1 74.0 -61.9 -21.9 60.8 12.8 5.0 129 132 A S G 3 S+ 0 0 75 1,-0.3 -1,-0.3 3,-0.1 -4,-0.0 0.790 88.8 63.3 -63.8 -24.0 60.7 11.1 1.6 130 133 A K G < S+ 0 0 43 -3,-1.6 -14,-2.9 1,-0.2 2,-1.2 0.676 86.9 79.3 -71.9 -17.7 57.0 10.3 2.4 131 134 A V < + 0 0 15 -3,-1.6 2,-0.7 -16,-0.2 -1,-0.2 -0.667 61.2 167.3 -95.2 81.3 56.3 14.0 2.5 132 135 A Q > - 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0 0 109 -2,-0.1 4,-1.5 -3,-0.1 3,-0.8 -0.543 20.5-120.1 -76.5 143.4 58.7 22.7 21.4 193 196 A L H 3> S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.877 110.7 56.5 -51.3 -46.1 55.3 24.4 21.4 194 197 A D H 3> S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.847 106.2 50.7 -57.3 -35.7 56.8 27.9 21.0 195 198 A E H <> S+ 0 0 78 -3,-0.8 4,-0.7 2,-0.2 -1,-0.2 0.857 114.1 45.3 -70.4 -35.2 58.7 26.8 17.8 196 199 A I H >X S+ 0 0 0 -4,-1.5 4,-1.0 -3,-0.3 3,-0.8 0.938 113.5 47.2 -72.0 -50.0 55.4 25.4 16.4 197 200 A L H 3< S+ 0 0 4 -4,-3.3 3,-0.3 1,-0.2 -2,-0.2 0.824 104.7 63.3 -62.2 -32.4 53.2 28.4 17.3 198 201 A A H 3< S+ 0 0 69 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.820 105.6 44.3 -63.2 -32.6 55.9 30.7 15.9 199 202 A L H << S+ 0 0 54 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.664 97.1 90.4 -87.8 -16.8 55.4 29.2 12.4 200 203 A X < - 0 0 0 -4,-1.0 2,-0.2 -3,-0.3 37,-0.1 -0.510 59.4-160.8 -82.3 149.7 51.6 29.2 12.4 201 204 A E > - 0 0 104 -2,-0.2 3,-2.7 1,-0.1 35,-0.1 -0.755 38.2 -63.7-123.8 170.0 49.5 32.1 11.2 202 205 A K T 3 S+ 0 0 169 33,-0.3 35,-0.3 1,-0.3 34,-0.1 -0.264 124.6 30.5 -51.3 134.1 46.0 33.3 11.6 203 206 A G T 3 S+ 0 0 37 33,-1.8 -1,-0.3 1,-0.4 -21,-0.3 0.058 88.1 119.3 101.5 -27.1 43.7 30.7 10.1 204 207 A D < - 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