==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-SEP-09 2WTA . COMPND 2 MOLECULE: NICOTINAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR P.K.FYFE,V.A.RAO,A.ZEMLA,S.CAMERON,W.N.HUNTER . 212 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 0 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 0 1 2 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 M 0 0 160 0, 0.0 2,-1.7 0, 0.0 211,-0.0 0.000 360.0 360.0 360.0 155.0 22.8 7.1 -9.9 2 4 A N - 0 0 112 210,-3.7 41,-0.0 42,-0.0 209,-0.0 -0.603 360.0-161.6 -81.1 77.5 23.0 10.6 -11.3 3 5 A K - 0 0 71 -2,-1.7 41,-0.2 1,-0.1 40,-0.1 -0.085 21.2 -95.5 -66.4 160.1 19.4 11.4 -10.1 4 6 A Q - 0 0 15 39,-3.0 41,-0.4 1,-0.1 -1,-0.1 -0.337 57.7 -86.6 -64.4 154.7 17.1 14.2 -11.2 5 7 A P > - 0 0 68 0, 0.0 3,-1.7 0, 0.0 40,-0.3 -0.072 37.1-102.0 -67.0 170.1 17.3 17.3 -9.0 6 8 A Q T 3 S+ 0 0 114 1,-0.3 -2,-0.1 39,-0.1 38,-0.0 0.634 116.3 65.8 -66.8 -15.6 15.3 17.9 -5.8 7 9 A N T 3 S+ 0 0 56 137,-0.1 138,-2.7 138,-0.1 139,-1.8 0.402 92.5 75.0 -87.6 2.0 12.8 20.2 -7.6 8 10 A S E < -a 146 0A 5 -3,-1.7 38,-0.4 136,-0.2 2,-0.3 -0.893 58.1-170.5-116.1 149.0 11.5 17.4 -9.9 9 11 A A E -a 147 0A 0 137,-2.1 139,-2.7 -2,-0.3 2,-0.5 -0.973 20.1-135.3-134.7 147.2 9.1 14.5 -9.1 10 12 A L E -ab 148 47A 0 36,-2.4 38,-2.9 -2,-0.3 2,-0.6 -0.922 18.2-159.2 -95.9 126.9 8.0 11.4 -11.0 11 13 A V E -ab 149 48A 0 137,-3.3 139,-2.1 -2,-0.5 2,-0.8 -0.949 3.8-159.1-109.4 112.6 4.2 10.9 -10.8 12 14 A V E -ab 150 49A 2 36,-3.1 38,-2.8 -2,-0.6 2,-0.6 -0.846 14.3-148.3 -98.1 107.3 3.3 7.3 -11.5 13 15 A V E -a 151 0A 0 137,-3.2 139,-2.5 -2,-0.8 3,-0.1 -0.721 53.7 -38.7 -94.3 116.4 -0.3 7.2 -12.5 14 16 A D + 0 0 1 -2,-0.6 2,-2.0 36,-0.4 -1,-0.2 0.757 60.5 171.1 51.8 47.8 -2.6 4.2 -11.8 15 17 A V + 0 0 0 35,-0.5 83,-2.3 -3,-0.3 2,-0.3 -0.541 36.2 141.6 -86.7 74.3 -0.2 1.3 -12.4 16 18 A Q B > S-F 97 0B 0 -2,-2.0 3,-0.9 81,-0.3 4,-0.4 -0.725 70.2-109.0-120.9 160.1 -2.8 -1.0 -11.0 17 19 A N G > S+ 0 0 13 79,-2.9 3,-1.3 76,-0.3 6,-0.3 0.875 113.8 62.8 -54.6 -39.3 -4.2 -4.5 -11.6 18 20 A G G 3 S+ 0 0 0 76,-2.4 7,-2.6 78,-0.3 -1,-0.2 0.775 107.5 40.3 -62.3 -29.3 -7.5 -2.9 -12.9 19 21 A F G < S+ 0 0 15 -3,-0.9 8,-1.9 75,-0.2 -1,-0.3 0.338 106.3 74.5-102.9 6.5 -5.8 -1.2 -15.8 20 22 A T S X S- 0 0 1 -3,-1.3 3,-2.8 -4,-0.4 5,-0.2 -0.770 102.5 -65.2-118.7 158.6 -3.4 -4.0 -16.8 21 23 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.155 125.7 29.7 -45.5 130.3 -4.1 -7.3 -18.6 22 24 A G T 3 S+ 0 0 84 1,-0.4 -4,-0.1 -4,-0.1 -5,-0.1 0.088 100.9 109.2 100.8 -17.5 -6.2 -9.5 -16.4 23 25 A G S X S- 0 0 16 -3,-2.8 3,-0.9 -6,-0.3 -1,-0.4 -0.253 83.9-103.2 -87.3 175.4 -8.0 -6.5 -14.7 24 26 A N T 3 S+ 0 0 95 1,-0.3 -5,-0.1 -3,-0.1 -6,-0.1 0.644 122.2 26.8 -73.9 -17.5 -11.5 -5.1 -15.0 25 27 A L T 3 S- 0 0 13 -7,-2.6 -1,-0.3 -5,-0.2 2,-0.2 -0.370 90.5-177.1-138.0 52.8 -10.5 -2.3 -17.3 26 28 A A < - 0 0 50 -3,-0.9 2,-0.6 -6,-0.1 -6,-0.2 -0.363 17.1-152.0 -67.3 120.2 -7.5 -3.9 -18.8 27 29 A V > - 0 0 4 -8,-1.9 3,-2.2 -2,-0.2 4,-0.3 -0.827 33.6-107.2 -90.2 120.5 -5.5 -1.7 -21.3 28 30 A A T 3 S- 0 0 73 -2,-0.6 153,-0.1 1,-0.3 -1,-0.1 -0.201 96.7 -1.3 -53.2 133.8 -3.8 -4.0 -23.8 29 31 A D T > S+ 0 0 101 1,-0.1 3,-1.6 151,-0.1 4,-0.3 0.513 89.5 131.3 66.3 9.2 0.0 -4.3 -23.3 30 32 A A G X + 0 0 0 -3,-2.2 3,-0.9 1,-0.3 4,-0.2 0.764 64.8 61.9 -67.8 -23.3 -0.1 -1.8 -20.3 31 33 A D G > S+ 0 0 53 -4,-0.3 3,-1.3 1,-0.2 -1,-0.3 0.730 88.2 73.1 -70.0 -20.1 1.9 -4.2 -18.2 32 34 A T G < S+ 0 0 80 -3,-1.6 4,-0.3 1,-0.3 -1,-0.2 0.624 88.3 60.4 -72.7 -13.0 4.9 -3.9 -20.7 33 35 A I G <> S+ 0 0 4 -3,-0.9 4,-2.1 -4,-0.3 -1,-0.3 0.568 82.1 87.1 -86.1 -9.9 5.7 -0.4 -19.5 34 36 A I H <> S+ 0 0 0 -3,-1.3 4,-3.0 1,-0.2 5,-0.2 0.904 82.1 52.3 -67.6 -44.1 6.4 -1.4 -15.9 35 37 A P H > S+ 0 0 82 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.899 111.8 49.4 -56.4 -38.0 10.1 -2.3 -16.2 36 38 A T H > S+ 0 0 34 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.901 111.5 48.3 -64.8 -44.2 10.7 1.1 -17.7 37 39 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.922 110.0 52.1 -61.4 -45.3 8.8 2.8 -14.9 38 40 A N H X S+ 0 0 40 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.905 113.0 45.0 -58.4 -41.6 10.7 0.8 -12.3 39 41 A Q H X S+ 0 0 119 -4,-2.0 4,-0.5 -5,-0.2 3,-0.4 0.924 112.6 50.7 -69.8 -44.7 14.0 1.9 -13.8 40 42 A L H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 4,-0.2 0.886 102.8 60.1 -57.7 -42.3 12.9 5.5 -14.2 41 43 A A H >< S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.860 96.8 60.4 -60.1 -35.2 11.8 5.8 -10.6 42 44 A G H 3< S+ 0 0 18 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.722 99.8 58.6 -61.1 -22.9 15.4 5.0 -9.5 43 45 A a T << S+ 0 0 5 -3,-1.7 -39,-3.0 -4,-0.5 2,-0.4 0.427 95.4 76.8 -88.1 -3.1 16.5 8.1 -11.3 44 46 A F < - 0 0 3 -3,-1.6 3,-0.1 -4,-0.2 -35,-0.1 -0.891 63.5-152.9-112.5 143.3 14.3 10.5 -9.3 45 47 A E S S+ 0 0 77 -2,-0.4 2,-0.4 -41,-0.4 -1,-0.1 0.752 90.7 43.5 -73.6 -31.9 14.8 11.7 -5.8 46 48 A N + 0 0 2 -38,-0.4 -36,-2.4 -41,-0.2 2,-0.4 -0.982 66.0 174.4-126.9 124.7 11.0 12.2 -5.5 47 49 A V E -b 10 0A 1 -2,-0.4 60,-2.8 58,-0.3 61,-0.8 -0.997 7.3-171.7-135.5 128.7 8.4 9.7 -6.6 48 50 A V E -bc 11 108A 1 -38,-2.9 -36,-3.1 -2,-0.4 2,-0.4 -0.959 9.6-154.4-117.9 136.2 4.6 9.8 -6.0 49 51 A L E -bc 12 109A 11 59,-2.9 61,-2.8 -2,-0.4 2,-0.3 -0.897 6.5-153.5-108.4 141.1 2.2 7.0 -6.9 50 52 A T E - c 0 110A 0 -38,-2.8 -35,-0.5 -2,-0.4 -36,-0.4 -0.827 6.6-165.5-109.7 153.4 -1.4 7.5 -7.7 51 53 A Q E - c 0 111A 8 59,-2.0 61,-2.3 -2,-0.3 2,-0.2 -0.963 21.7-132.1-141.5 118.5 -4.2 5.0 -7.2 52 54 A D E - c 0 112A 3 -2,-0.4 61,-0.2 59,-0.2 2,-0.2 -0.564 33.1-178.2 -63.9 135.5 -7.7 5.0 -8.6 53 55 A W + 0 0 40 59,-2.8 36,-0.2 -2,-0.2 35,-0.1 -0.589 3.0 176.1-151.1 70.8 -9.7 4.3 -5.6 54 56 A H B -g 89 0C 0 34,-2.2 36,-2.6 33,-0.3 60,-0.2 -0.601 27.4-129.5 -93.3 140.3 -13.4 4.1 -6.2 55 57 A P > - 0 0 18 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.449 37.2-105.9 -71.9 162.4 -16.3 3.2 -3.8 56 58 A D T 3 S+ 0 0 109 1,-0.3 33,-0.1 -2,-0.1 -2,-0.0 0.729 119.8 54.0 -63.8 -22.9 -18.7 0.5 -5.1 57 59 A N T 3 S+ 0 0 85 3,-0.0 -1,-0.3 7,-0.0 2,-0.0 0.061 79.7 154.1 -96.0 25.0 -21.4 3.2 -5.8 58 60 A H X - 0 0 0 -3,-1.6 3,-1.7 1,-0.1 6,-0.3 -0.256 47.7-134.9 -65.4 139.4 -19.1 5.4 -7.9 59 61 A I T 3 S+ 0 0 27 57,-2.8 -1,-0.1 1,-0.3 58,-0.1 0.734 100.2 66.3 -63.8 -25.7 -20.8 7.7 -10.5 60 62 A S T 3 S+ 0 0 0 56,-0.2 24,-2.8 53,-0.1 2,-0.5 0.589 80.8 96.8 -75.2 -9.5 -18.3 6.7 -13.2 61 63 A F B X -h 84 0D 0 -3,-1.7 3,-2.0 22,-0.2 25,-0.1 -0.721 67.8-147.4 -86.5 124.9 -19.5 3.1 -13.3 62 64 A A G > S+ 0 0 3 22,-2.2 3,-1.8 -2,-0.5 6,-0.4 0.849 98.4 67.2 -50.5 -38.2 -22.0 2.2 -16.1 63 65 A A G 3 S+ 0 0 75 21,-0.5 -1,-0.3 1,-0.3 4,-0.1 0.703 94.1 57.8 -58.4 -21.3 -23.5 -0.3 -13.6 64 66 A N G < S+ 0 0 68 -3,-2.0 -1,-0.3 -6,-0.3 -2,-0.2 0.170 98.3 68.6 -96.4 17.9 -24.7 2.6 -11.4 65 67 A H S X S- 0 0 28 -3,-1.8 3,-2.0 3,-0.2 -1,-0.1 -0.906 87.3-124.0-139.5 108.2 -26.8 4.2 -14.2 66 68 A P T 3 S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.197 92.7 8.9 -57.9 134.4 -29.9 2.4 -15.4 67 69 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 -4,-0.1 -4,-0.1 0.532 101.7 114.7 76.0 7.8 -29.9 1.7 -19.1 68 70 A K < - 0 0 63 -3,-2.0 -1,-0.2 -6,-0.4 -3,-0.2 -0.853 47.3-158.7-108.5 149.5 -26.2 2.7 -19.7 69 71 A Q > - 0 0 131 -2,-0.3 3,-1.8 1,-0.1 14,-0.2 -0.860 37.4 -72.6-122.8 157.6 -23.4 0.4 -20.8 70 72 A P T 3 S+ 0 0 44 0, 0.0 14,-0.2 0, 0.0 3,-0.1 -0.142 115.5 22.6 -53.5 143.4 -19.6 0.7 -20.4 71 73 A F T 3 S+ 0 0 92 12,-3.3 2,-0.2 1,-0.4 13,-0.1 0.356 93.7 117.6 78.6 2.1 -17.9 3.3 -22.7 72 74 A E < - 0 0 83 -3,-1.8 11,-3.2 11,-0.1 -1,-0.4 -0.460 61.6-124.2 -80.9 167.3 -21.1 5.3 -23.2 73 75 A T E -I 82 0E 62 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.834 20.9-166.5-117.2 152.3 -21.1 8.9 -22.0 74 76 A I E -I 81 0E 35 7,-2.3 7,-2.8 -2,-0.3 2,-0.7 -0.985 24.1-121.0-136.7 146.0 -23.5 10.7 -19.7 75 77 A E E +I 80 0E 137 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.818 37.2 178.6 -88.3 113.3 -24.1 14.4 -18.9 76 78 A L E > -I 79 0E 30 3,-2.8 3,-2.0 -2,-0.7 0, 0.0 -0.565 48.6 -89.8-103.0 173.9 -23.5 15.1 -15.2 77 79 A D T 3 S+ 0 0 181 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.885 129.5 45.9 -48.6 -42.6 -23.6 18.4 -13.4 78 80 A Y T 3 S- 0 0 39 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.369 123.7 -92.5 -89.0 4.9 -19.9 19.0 -14.1 79 81 A G E < S-I 76 0E 25 -3,-2.0 -3,-2.8 2,-0.0 -1,-0.3 -0.789 75.7 -1.9 120.9-162.4 -20.1 18.0 -17.8 80 82 A S E -I 75 0E 68 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.411 57.3-169.8 -70.8 136.2 -19.6 14.9 -19.9 81 83 A Q E -I 74 0E 4 -7,-2.8 -7,-2.3 -2,-0.1 2,-0.3 -0.993 17.4-138.0-129.5 123.5 -18.6 11.7 -18.1 82 84 A V E -I 73 0E 27 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.618 23.6-135.8 -73.1 135.7 -17.4 8.5 -19.8 83 85 A L - 0 0 0 -11,-3.2 -12,-3.3 -2,-0.3 -22,-0.2 -0.783 25.7-168.9 -96.4 142.3 -19.0 5.5 -18.0 84 86 A W B -h 61 0D 9 -24,-2.8 -22,-2.2 -2,-0.4 -21,-0.5 -0.773 30.3 -90.5-124.8 164.3 -16.7 2.5 -17.3 85 87 A P - 0 0 32 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.410 68.5 -81.3 -59.2 153.9 -16.8 -1.2 -16.2 86 88 A K S S+ 0 0 98 -25,-0.1 2,-0.3 -2,-0.0 -30,-0.1 -0.460 71.2 164.8 -60.9 133.6 -16.5 -1.3 -12.4 87 89 A H + 0 0 5 -2,-0.1 -33,-0.3 -3,-0.1 8,-0.1 -0.993 42.0 10.7-154.6 147.1 -12.8 -1.0 -11.7 88 90 A C - 0 0 0 -2,-0.3 -34,-2.2 1,-0.2 2,-0.2 0.836 68.9-174.8 52.6 44.3 -10.3 -0.3 -8.9 89 91 A I B > -g 54 0C 32 -36,-0.2 3,-2.2 1,-0.1 6,-0.5 -0.529 39.4 -87.9 -72.1 133.1 -12.9 -0.6 -6.1 90 92 A Q T 3 S+ 0 0 79 -36,-2.6 -1,-0.1 1,-0.3 3,-0.1 -0.123 109.2 7.2 -44.6 126.7 -11.3 0.4 -2.7 91 93 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.415 101.8 118.8 84.0 -0.1 -9.7 -2.6 -1.0 92 94 A T S X> S- 0 0 52 -3,-2.2 4,-0.7 1,-0.1 3,-0.6 -0.533 77.6-111.5 -96.7 163.9 -10.1 -5.1 -3.8 93 95 A H G >4 S+ 0 0 130 1,-0.2 3,-1.2 2,-0.2 -76,-0.3 0.888 116.5 61.8 -56.1 -40.6 -7.5 -7.0 -5.8 94 96 A D G 34 S+ 0 0 13 1,-0.3 -76,-2.4 -77,-0.2 -1,-0.2 0.849 103.0 49.5 -56.8 -35.8 -8.4 -4.8 -8.9 95 97 A A G <4 S+ 0 0 0 -3,-0.6 -1,-0.3 -6,-0.5 -2,-0.2 0.622 90.3 104.1 -82.5 -14.5 -7.3 -1.6 -7.0 96 98 A E S << S- 0 0 103 -3,-1.2 -79,-2.9 -4,-0.7 -78,-0.3 -0.284 83.6 -94.7 -64.7 153.1 -3.9 -3.0 -5.9 97 99 A F B -F 16 0B 50 -81,-0.3 -81,-0.3 1,-0.1 -1,-0.1 -0.372 52.1 -90.8 -60.5 144.7 -0.7 -2.0 -7.6 98 100 A H > - 0 0 22 -83,-2.3 3,-1.8 1,-0.1 -1,-0.1 -0.352 35.5-123.8 -55.7 136.0 0.4 -4.3 -10.3 99 101 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.731 109.0 59.0 -62.1 -22.2 2.7 -6.9 -8.8 100 102 A D T 3 S+ 0 0 92 2,-0.0 2,-0.2 -69,-0.0 -62,-0.1 0.635 79.4 105.3 -78.5 -15.9 5.6 -6.1 -11.2 101 103 A L < + 0 0 23 -3,-1.8 2,-0.3 -86,-0.1 -67,-0.0 -0.518 47.4 176.6 -67.3 127.8 5.6 -2.4 -10.0 102 104 A N + 0 0 110 -2,-0.2 3,-0.1 -68,-0.2 -61,-0.1 -0.740 21.6 137.7-142.8 87.2 8.7 -2.1 -7.8 103 105 A I > + 0 0 18 -2,-0.3 3,-1.8 1,-0.1 -2,-0.0 -0.666 12.3 167.0-132.5 73.2 9.4 1.4 -6.4 104 106 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.752 76.0 62.5 -61.7 -20.9 10.4 1.0 -2.8 105 107 A T T 3 S+ 0 0 85 -3,-0.1 -58,-0.3 -59,-0.0 -2,-0.0 0.513 72.1 128.0 -83.9 -3.3 11.6 4.6 -2.7 106 108 A A < - 0 0 30 -3,-1.8 -58,-0.2 1,-0.1 3,-0.1 -0.265 41.6-165.3 -59.4 136.9 8.1 6.0 -3.5 107 109 A Q + 0 0 84 -60,-2.8 2,-0.3 1,-0.2 -59,-0.2 0.553 62.5 27.1-104.5 -14.7 7.2 8.7 -0.9 108 110 A L E -c 48 0A 50 -61,-0.8 -59,-2.9 2,-0.0 2,-0.5 -0.987 50.7-160.7-151.1 140.6 3.5 9.2 -1.3 109 111 A I E -c 49 0A 89 -2,-0.3 2,-0.6 -61,-0.2 -59,-0.2 -0.989 18.4-169.1-119.9 115.5 0.5 7.2 -2.5 110 112 A I E -c 50 0A 24 -61,-2.8 -59,-2.0 -2,-0.5 2,-0.3 -0.925 7.2-152.5-108.5 123.3 -2.4 9.5 -3.4 111 113 A R E -c 51 0A 107 -2,-0.6 2,-0.3 -61,-0.2 -59,-0.2 -0.649 15.9-175.7 -92.8 150.1 -5.7 8.0 -3.9 112 114 A K E +c 52 0A 3 -61,-2.3 -59,-2.8 -2,-0.3 8,-0.1 -0.951 53.9 43.3-142.5 160.5 -8.3 9.5 -6.2 113 115 A G + 0 0 0 -2,-0.3 -53,-0.1 -61,-0.2 -1,-0.1 0.641 68.8 129.2 80.4 16.9 -11.8 9.0 -7.4 114 116 A F + 0 0 90 -60,-0.2 2,-0.6 -3,-0.1 5,-0.1 0.597 41.2 92.7 -84.0 -14.0 -13.0 8.2 -3.9 115 117 A H S > S- 0 0 76 3,-0.4 3,-1.6 1,-0.1 -56,-0.2 -0.761 75.0-141.4 -79.1 121.5 -15.9 10.7 -3.8 116 118 A A T 3 S+ 0 0 20 -2,-0.6 -57,-2.8 1,-0.3 -56,-0.2 0.800 96.6 42.1 -53.1 -36.1 -19.0 8.7 -5.0 117 119 A H T 3 S+ 0 0 140 -59,-0.2 2,-0.4 -58,-0.1 -1,-0.3 0.343 110.8 57.1-100.8 7.4 -20.4 11.5 -7.1 118 120 A I < - 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