==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-07 2QZK . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MUNSHI . 376 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 29.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 3 0.8 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 . 45 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 4 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 5 2 2 2 5 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 2 0 0 0 0 0 0 0 0 1 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 -2 A S 0 0 153 0, 0.0 3,-0.4 0, 0.0 171,-0.1 0.000 360.0 360.0 360.0 -15.9 40.9 38.2 32.0 2 -1 A F >> + 0 0 52 1,-0.2 3,-2.3 169,-0.1 4,-0.5 0.172 360.0 124.2 -93.0 18.2 40.5 38.7 28.3 3 0 A V G >4 + 0 0 104 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.782 63.1 61.0 -49.6 -36.6 41.7 42.3 28.4 4 1 A E G 34 S+ 0 0 168 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.621 102.7 53.7 -72.2 -7.8 44.6 41.9 25.9 5 2 A M G X4 S+ 0 0 21 -3,-2.3 3,-1.2 160,-0.0 161,-0.7 0.546 83.5 109.0 -97.6 -11.5 42.0 40.9 23.2 6 3 A V T << S+ 0 0 49 -3,-1.1 159,-0.1 -4,-0.5 -3,-0.0 -0.441 87.3 9.8 -68.8 137.6 39.9 44.1 23.8 7 4 A D T 3 S+ 0 0 80 -2,-0.1 -1,-0.3 149,-0.1 158,-0.2 0.791 82.7 136.5 64.7 32.2 40.1 46.6 21.0 8 5 A N < + 0 0 13 -3,-1.2 12,-0.5 84,-0.1 2,-0.4 0.406 50.2 82.2 -88.3 3.2 41.9 44.2 18.7 9 6 A L E +AB 19 164A 0 155,-2.2 155,-0.8 10,-0.1 2,-0.2 -0.853 52.5 170.2-111.1 145.8 39.8 45.1 15.7 10 7 A R E +AB 18 163A 114 8,-2.1 8,-2.3 -2,-0.4 2,-0.2 -0.735 6.8 140.4-136.3-176.0 40.2 48.1 13.3 11 8 A G - 0 0 7 151,-0.7 2,-0.4 -2,-0.2 6,-0.1 -0.851 45.4 -88.5 154.6 170.2 38.7 49.4 10.1 12 9 A K >> - 0 0 115 4,-0.5 3,-2.4 104,-0.3 4,-0.7 -0.852 60.6 -82.6-107.5 145.7 37.5 52.3 8.0 13 10 A S T 34 S- 0 0 43 -2,-0.4 289,-0.2 1,-0.3 -1,-0.1 -0.243 114.4 -0.6 -50.7 117.0 33.9 53.4 8.1 14 11 A G T 34 S+ 0 0 32 287,-0.1 -1,-0.3 210,-0.1 210,-0.1 0.664 113.8 88.5 77.3 18.3 32.0 51.1 5.8 15 12 A Q T <4 S- 0 0 45 -3,-2.4 -2,-0.1 1,-0.1 98,-0.1 0.530 93.0 -74.8-124.5 -8.0 34.9 49.0 4.6 16 13 A G < - 0 0 20 -4,-0.7 -4,-0.5 2,-0.0 2,-0.5 -0.098 32.7-101.8 123.5 139.6 35.3 46.1 7.0 17 14 A Y - 0 0 11 204,-0.3 17,-3.0 17,-0.3 2,-0.3 -0.784 43.7-175.8 -92.6 130.6 36.5 45.1 10.4 18 15 A Y E -AC 10 33A 23 -8,-2.3 -8,-2.1 -2,-0.5 2,-0.3 -0.944 17.8-157.1-133.4 152.9 39.9 43.4 10.5 19 16 A V E -AC 9 32A 2 13,-2.7 13,-3.1 -2,-0.3 2,-0.3 -0.861 32.0-105.3-120.9 153.1 42.2 41.7 13.0 20 17 A E E - C 0 31A 67 -12,-0.5 2,-0.4 -2,-0.3 72,-0.3 -0.648 37.1-176.4 -81.4 136.9 45.9 41.2 12.8 21 18 A M E - C 0 30A 1 9,-2.5 9,-2.8 -2,-0.3 2,-0.5 -0.999 14.5-148.6-133.9 136.0 47.1 37.7 12.0 22 19 A T E -DC 89 29A 25 67,-2.7 67,-2.3 -2,-0.4 2,-0.3 -0.920 21.2-179.1-109.7 122.7 50.7 36.5 11.8 23 20 A V E > +DC 88 28A 2 5,-2.9 5,-1.2 -2,-0.5 65,-0.2 -0.891 35.4 4.6-124.1 152.3 51.5 33.8 9.3 24 21 A G T 5S- 0 0 11 63,-2.2 4,-0.2 -2,-0.3 36,-0.1 -0.052 85.4 -48.2 77.0-177.8 54.6 31.8 8.4 25 22 A S T 5S+ 0 0 28 2,-0.1 36,-2.9 1,-0.0 37,-0.4 -0.960 124.0 31.7-146.2 120.8 58.2 31.8 9.6 26 23 A P T 5S- 0 0 92 0, 0.0 36,-0.1 0, 0.0 -3,-0.1 0.606 122.4 -86.5 -64.9 170.0 59.7 34.2 10.0 27 24 A P T 5 - 0 0 109 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.160 42.1-176.1 -53.1 131.3 56.6 36.2 11.0 28 25 A Q E < -C 23 0A 26 -5,-1.2 -5,-2.9 -4,-0.2 2,-0.4 -0.927 11.9-162.4-130.3 103.1 54.4 37.9 8.3 29 26 A T E +C 22 0A 45 -2,-0.4 2,-0.3 -7,-0.3 -7,-0.2 -0.752 13.4 173.9 -93.0 132.6 51.6 40.0 9.9 30 27 A L E -C 21 0A 4 -9,-2.8 -9,-2.5 -2,-0.4 2,-0.6 -0.912 36.4-109.3-133.7 159.3 48.7 41.0 7.8 31 28 A N E -C 20 0A 10 -2,-0.3 88,-3.1 -11,-0.2 89,-0.9 -0.819 40.0-164.4 -91.5 120.7 45.3 42.7 8.4 32 29 A I E -Ce 19 120A 1 -13,-3.1 -13,-2.7 -2,-0.6 89,-0.3 -0.929 18.6-122.2-118.2 127.4 42.5 40.2 8.0 33 30 A L E -Ce 18 121A 12 87,-2.7 89,-3.3 -2,-0.5 2,-0.8 -0.388 23.2-130.9 -63.4 130.7 38.8 40.8 7.5 34 31 A V E + e 0 122A 2 -17,-3.0 2,-0.5 87,-0.2 -17,-0.3 -0.759 36.1 175.9 -87.0 110.7 36.6 39.1 10.2 35 32 A D E > + e 0 123A 13 87,-2.0 89,-2.8 -2,-0.8 3,-0.7 -0.914 26.8 174.9-126.8 109.3 33.9 37.3 8.3 36 33 A T T 3 S+ 0 0 0 -2,-0.5 155,-0.5 1,-0.2 183,-0.2 0.384 77.7 71.8 -89.7 5.4 31.2 35.1 9.8 37 34 A G T 3 S+ 0 0 13 153,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.322 101.3 36.4-100.9 7.5 29.5 34.7 6.4 38 35 A S < - 0 0 8 -3,-0.7 87,-3.0 84,-0.2 92,-0.1 -0.919 63.2-141.8-148.5 172.5 32.2 32.4 4.9 39 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.243 62.8 99.5-128.9 15.1 34.6 29.6 5.9 40 37 A N - 0 0 6 98,-0.1 83,-1.3 89,-0.1 2,-0.6 -0.864 56.2-146.9-107.9 139.3 37.9 30.1 4.0 41 38 A F E +F 122 0A 9 -2,-0.4 62,-2.1 81,-0.2 2,-0.3 -0.913 36.9 159.3 -99.5 120.5 41.0 31.7 5.4 42 39 A A E -Fg 121 103A 0 79,-2.3 79,-2.9 -2,-0.6 2,-0.4 -1.000 21.8-167.2-147.1 146.0 42.7 33.5 2.5 43 40 A V E -Fg 120 104A 0 60,-2.7 62,-2.9 -2,-0.3 77,-0.3 -0.984 35.6 -99.0-136.4 145.3 45.2 36.3 2.1 44 41 A G E + g 0 105A 0 75,-3.2 11,-2.9 -2,-0.4 62,-0.2 -0.386 38.5 178.1 -57.1 133.7 46.4 38.4 -0.8 45 42 A A + 0 0 13 60,-2.9 12,-0.2 9,-0.2 -1,-0.1 0.124 58.0 47.6-128.4 19.1 49.7 36.8 -2.0 46 43 A A S S- 0 0 30 59,-0.3 9,-0.1 7,-0.1 -1,-0.1 -0.981 97.8 -77.5-154.5 153.1 50.6 39.0 -4.9 47 44 A P + 0 0 101 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.241 50.5 174.3 -56.8 142.1 50.8 42.7 -5.5 48 45 A H > - 0 0 52 3,-0.4 3,-1.7 1,-0.1 59,-0.0 -0.982 41.2-118.8-148.7 142.4 47.5 44.5 -6.1 49 46 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.860 116.2 44.9 -50.8 -40.6 46.6 48.2 -6.5 50 47 A F T 3 S+ 0 0 80 64,-0.1 2,-0.5 -3,-0.1 65,-0.4 0.466 98.1 90.0 -85.7 -3.0 44.4 48.1 -3.4 51 48 A L < - 0 0 19 -3,-1.7 -3,-0.4 1,-0.1 3,-0.1 -0.854 49.4-172.1-104.1 125.9 46.9 46.1 -1.2 52 49 A H S S+ 0 0 136 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.830 79.5 1.2 -77.1 -34.5 49.5 47.7 1.0 53 50 A R - 0 0 93 -22,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.939 66.0-166.1-147.7 168.5 51.1 44.4 1.7 54 51 A Y - 0 0 80 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.985 33.7 -83.5-156.5 163.8 50.8 40.7 0.9 55 52 A Y - 0 0 2 -11,-2.9 2,-0.8 -2,-0.3 -31,-0.0 -0.563 31.7-159.8 -74.2 124.9 51.8 37.1 1.9 56 53 A Q > - 0 0 68 -2,-0.3 3,-1.2 1,-0.2 4,-0.4 -0.833 7.6-175.2-109.9 91.5 55.1 36.0 0.5 57 54 A R G > S+ 0 0 45 -2,-0.8 3,-1.4 1,-0.3 6,-0.3 0.814 78.8 62.1 -56.4 -37.4 55.1 32.2 0.6 58 55 A Q G 3 S+ 0 0 149 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.797 101.3 54.6 -62.7 -27.0 58.7 31.8 -0.6 59 56 A L G < S+ 0 0 94 -3,-1.2 2,-0.7 1,-0.1 -1,-0.3 0.588 92.4 84.5 -81.7 -10.3 59.9 33.7 2.5 60 57 A S X - 0 0 7 -3,-1.4 3,-1.0 -4,-0.4 -36,-0.1 -0.834 57.7-168.3 -98.4 112.6 58.1 31.3 4.8 61 58 A S T 3 S+ 0 0 106 -36,-2.9 -1,-0.1 -2,-0.7 -4,-0.0 0.731 88.4 52.8 -69.5 -21.7 60.1 28.1 5.6 62 59 A T T 3 S+ 0 0 32 -37,-0.4 -1,-0.2 -36,-0.1 2,-0.2 0.464 80.4 116.0 -93.8 -2.5 57.0 26.5 7.2 63 60 A Y < - 0 0 34 -3,-1.0 2,-0.5 -6,-0.3 23,-0.2 -0.482 47.2-163.6 -69.7 134.3 54.7 27.0 4.3 64 61 A R E -H 85 0A 150 21,-2.7 21,-1.7 -2,-0.2 2,-0.3 -0.945 12.3-141.9-123.5 109.1 53.5 23.8 2.6 65 62 A D E -H 84 0A 69 -2,-0.5 19,-0.3 19,-0.2 18,-0.0 -0.535 3.4-155.7 -70.2 125.2 51.9 24.1 -0.8 66 63 A L E - 0 0 76 17,-2.2 18,-0.2 -2,-0.3 -1,-0.1 0.426 30.8-127.2 -82.5 2.1 49.0 21.7 -1.1 67 64 A R E S+ 0 0 233 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.866 73.9 106.3 56.1 39.5 49.4 21.6 -4.9 68 65 A K E - 0 0 93 15,-0.5 15,-3.3 2,-0.0 -2,-0.2 -0.988 61.3-134.6-150.1 138.7 45.7 22.5 -5.5 69 66 A G E -H 82 0A 50 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.440 15.4-157.8 -89.3 165.7 44.0 25.6 -6.6 70 67 A V E -H 81 0A 9 11,-2.3 11,-2.4 -2,-0.1 2,-0.4 -0.996 6.0-165.6-147.0 139.3 40.9 27.2 -5.1 71 68 A Y E -H 80 0A 143 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.995 6.8-171.5-126.5 129.8 38.2 29.6 -6.4 72 69 A V E -H 79 0A 5 7,-2.6 7,-1.8 -2,-0.4 2,-0.5 -0.932 4.0-172.6-130.6 111.7 35.8 31.4 -4.1 73 70 A P E -H 78 0A 54 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.877 13.0-169.0-100.9 128.2 32.9 33.4 -5.4 74 71 A Y - 0 0 53 3,-3.0 3,-0.2 -2,-0.5 -36,-0.0 -0.549 44.1 -95.1-106.6 177.2 31.0 35.5 -2.8 75 72 A T S S+ 0 0 108 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.874 125.6 29.9 -56.8 -35.4 27.7 37.3 -2.9 76 73 A Q S S- 0 0 156 1,-0.1 -1,-0.3 35,-0.0 34,-0.0 -0.986 126.6 -21.2-128.2 117.2 30.0 40.2 -3.7 77 74 A G - 0 0 19 -2,-0.4 -3,-3.0 -3,-0.2 2,-0.3 -0.010 59.0-133.8 79.9 176.9 33.3 39.6 -5.6 78 75 A A E -HI 73 109A 11 31,-1.7 31,-3.0 -5,-0.3 2,-0.3 -0.977 11.1-164.1-167.5 158.0 35.5 36.6 -6.1 79 76 A W E -HI 72 108A 2 -7,-1.8 -7,-2.6 -2,-0.3 2,-0.4 -0.970 9.0-147.8-148.1 161.4 39.1 35.4 -6.0 80 77 A A E +HI 71 107A 33 27,-2.8 27,-1.9 -2,-0.3 26,-1.9 -0.975 31.3 140.5-130.0 144.4 41.4 32.6 -7.1 81 78 A G E -HI 70 105A 9 -11,-2.4 -11,-2.3 -2,-0.4 2,-0.4 -0.914 46.2 -80.4-163.1-171.3 44.5 31.3 -5.3 82 79 A E E -HI 69 104A 71 22,-1.9 22,-2.9 -2,-0.3 -13,-0.2 -0.878 38.1-127.7-109.9 140.1 46.6 28.3 -4.3 83 80 A L E + I 0 103A 1 -15,-3.3 -17,-2.2 -2,-0.4 -15,-0.5 -0.562 45.3 128.9 -85.4 149.6 45.9 26.1 -1.3 84 81 A G E -HI 65 102A 0 18,-0.9 18,-3.0 -19,-0.3 2,-0.3 -0.951 44.2-113.1-174.8-174.7 48.5 25.4 1.4 85 82 A T E +HI 64 101A 18 -21,-1.7 -21,-2.7 -2,-0.3 2,-0.3 -0.980 30.9 160.8-139.6 151.6 49.1 25.4 5.1 86 83 A D E - I 0 100A 0 14,-1.7 14,-2.3 -2,-0.3 2,-0.3 -0.955 47.2 -76.2-158.6 170.5 51.3 27.4 7.4 87 84 A L E - I 0 99A 56 -2,-0.3 -63,-2.2 12,-0.2 2,-0.4 -0.586 49.6-169.2 -76.6 138.5 51.7 28.4 11.0 88 85 A V E +DI 23 98A 1 10,-3.0 10,-2.6 -2,-0.3 2,-0.3 -0.997 13.0 169.5-136.1 135.8 49.2 31.0 12.1 89 86 A S E -D 22 0A 25 -67,-2.3 -67,-2.7 -2,-0.4 8,-0.1 -0.905 27.5-140.2-136.2 161.7 48.9 33.1 15.3 90 87 A I > - 0 0 5 4,-0.6 3,-2.4 6,-0.5 6,-0.2 -0.933 14.0-157.0-127.3 101.0 46.7 36.1 16.2 91 88 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.853 95.2 33.8 -44.9 -48.8 49.0 38.5 18.3 92 89 A H T 3 S+ 0 0 91 -72,-0.3 -84,-0.1 -84,-0.1 3,-0.1 -0.033 118.8 63.6-102.1 29.0 46.1 40.2 20.0 93 90 A G S < S- 0 0 12 -3,-2.4 -87,-0.1 1,-0.3 74,-0.1 -0.263 103.0 -17.6-124.5-147.9 44.0 37.0 20.1 94 91 A P - 0 0 10 0, 0.0 2,-1.8 0, 0.0 -4,-0.6 -0.264 64.8-115.6 -62.7 148.5 44.5 33.6 21.8 95 92 A N S S+ 0 0 171 -3,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.556 81.6 93.0 -86.0 72.8 48.0 32.8 23.0 96 93 A V - 0 0 42 -2,-1.8 -6,-0.5 -6,-0.2 2,-0.4 -0.951 61.0-140.8-153.6 167.3 48.5 29.8 20.7 97 94 A T - 0 0 83 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.998 23.0-176.9-137.4 131.3 49.9 29.0 17.2 98 95 A V E - I 0 88A 2 -10,-2.6 -10,-3.0 -2,-0.4 2,-0.7 -0.899 31.1-120.5-129.5 158.8 48.2 26.5 14.9 99 96 A R E + I 0 87A 50 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.892 47.7 174.0 -96.5 116.8 48.9 25.0 11.5 100 97 A A E - I 0 86A 1 -14,-2.3 -14,-1.7 -2,-0.7 2,-0.1 -0.856 38.2 -97.6-126.3 159.4 46.0 26.1 9.3 101 98 A N E - I 0 85A 34 36,-0.5 2,-0.4 -2,-0.3 -16,-0.3 -0.494 43.9-173.2 -69.5 141.9 44.8 25.9 5.8 102 99 A I E - I 0 84A 1 -18,-3.0 -18,-0.9 -2,-0.1 2,-0.5 -0.987 17.9-147.7-143.1 129.7 45.6 29.1 4.0 103 100 A A E -gI 42 83A 2 -62,-2.1 -60,-2.7 -2,-0.4 2,-0.9 -0.861 13.3-145.9 -98.2 127.0 44.6 30.2 0.5 104 101 A A E -gI 43 82A 0 -22,-2.9 -22,-1.9 -2,-0.5 2,-0.6 -0.845 16.8-142.2 -93.9 107.4 47.1 32.4 -1.2 105 102 A I E +gI 44 81A 5 -62,-2.9 -60,-2.9 -2,-0.9 -59,-0.3 -0.595 31.4 165.2 -75.1 116.5 45.1 34.8 -3.4 106 103 A T E + 0 0 49 -26,-1.9 2,-0.3 -2,-0.6 -25,-0.2 0.645 67.4 19.2-103.9 -20.4 46.8 35.5 -6.6 107 104 A E E + I 0 80A 135 -27,-1.9 -27,-2.8 2,-0.0 2,-0.3 -0.995 65.7 171.1-149.8 148.7 43.9 37.1 -8.6 108 105 A S E - I 0 79A 29 -2,-0.3 2,-0.4 -29,-0.3 -29,-0.3 -0.990 20.8-146.8-156.5 161.4 40.6 38.7 -7.6 109 106 A D E S- I 0 78A 105 -31,-3.0 -31,-1.7 -2,-0.3 -2,-0.0 -0.962 79.4 -25.3-138.9 117.4 37.7 40.6 -9.0 110 107 A K S S+ 0 0 170 -2,-0.4 -31,-0.1 -33,-0.2 3,-0.0 0.773 106.7 105.5 52.7 33.9 35.7 43.2 -7.0 111 108 A F + 0 0 18 -33,-0.2 -1,-0.1 -34,-0.1 -32,-0.1 0.838 61.3 60.9-102.3 -64.6 36.7 41.6 -3.7 112 109 A F S S- 0 0 13 7,-0.1 2,-0.5 1,-0.1 7,-0.1 -0.311 77.5-136.8 -65.1 151.1 39.4 43.8 -2.1 113 110 A I > - 0 0 67 5,-0.2 3,-2.3 -63,-0.1 4,-0.4 -0.956 18.1-115.1-118.5 122.9 38.3 47.4 -1.3 114 111 A N T 3 S+ 0 0 102 -2,-0.5 -64,-0.1 1,-0.3 -63,-0.1 -0.305 100.4 7.2 -54.7 123.5 40.6 50.4 -2.0 115 112 A G T 3 S+ 0 0 32 -65,-0.4 -1,-0.3 -2,-0.1 -100,-0.1 0.441 91.7 116.6 83.8 0.5 41.6 52.0 1.3 116 113 A S < - 0 0 2 -3,-2.3 -104,-0.3 2,-0.2 -2,-0.1 0.787 68.4-140.8 -70.4 -28.8 40.1 49.4 3.5 117 114 A N + 0 0 54 -4,-0.4 2,-0.4 -67,-0.3 -86,-0.1 0.525 62.7 113.1 77.9 9.3 43.5 48.5 4.9 118 115 A W - 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