==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-AUG-10 3OHH . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.K.MUCKELBAUER . 774 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 222 28.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 3 0.4 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 . 85 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 6 0 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 . 6 6 4 6 6 8 0 2 0 0 0 2 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 4 0 0 0 0 0 0 0 0 2 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 47PA F >> 0 0 115 0, 0.0 3,-1.5 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 39.1 74.2 50.4 57.3 2 48PA V G >4 + 0 0 127 1,-0.3 3,-0.6 2,-0.2 180,-0.0 0.796 360.0 61.8 -57.4 -35.2 73.7 47.1 59.1 3 1 A E G 34 S+ 0 0 72 1,-0.2 -1,-0.3 3,-0.0 174,-0.0 0.744 106.0 47.0 -64.7 -24.4 72.3 48.7 62.3 4 2 A M G X4 S+ 0 0 13 -3,-1.5 3,-1.3 174,-0.0 172,-0.7 0.594 85.1 108.8 -95.9 -14.2 69.3 50.1 60.3 5 3 A V T << S+ 0 0 36 -4,-0.8 170,-0.1 -3,-0.6 -3,-0.0 -0.422 88.6 11.0 -62.6 134.8 68.4 46.9 58.4 6 4 A D T 3 S+ 0 0 86 -2,-0.1 -1,-0.2 149,-0.1 169,-0.2 0.724 84.2 132.9 68.2 27.5 65.1 45.4 59.7 7 5 A N < + 0 0 20 -3,-1.3 12,-0.6 84,-0.1 2,-0.3 0.428 50.2 84.2 -88.6 1.8 64.2 48.4 61.8 8 6 A L E -AB 18 174A 0 166,-2.3 165,-2.8 10,-0.1 166,-0.9 -0.774 51.0-180.0-106.5 150.1 60.6 48.5 60.5 9 7 A R E +A 17 0A 70 8,-1.7 8,-2.8 -2,-0.3 2,-0.3 -0.934 37.3 59.1-137.1 162.2 57.5 46.6 61.6 10 8 A G E -A 16 0A 7 158,-0.5 2,-0.3 -2,-0.3 6,-0.3 -0.793 62.9-100.2 120.6-161.1 53.9 46.6 60.4 11 9 A K E >> -A 15 0A 60 4,-1.3 4,-2.8 -2,-0.3 3,-0.9 -0.962 33.6 -94.8-161.1 165.3 51.9 45.9 57.2 12 10 A S T 34 S+ 0 0 10 -2,-0.3 325,-0.2 1,-0.2 326,-0.1 0.828 117.2 54.8 -61.1 -35.8 50.3 47.7 54.2 13 11 A G T 34 S+ 0 0 24 1,-0.2 -1,-0.2 2,-0.1 221,-0.1 0.750 126.2 18.8 -70.6 -25.5 46.8 47.7 55.7 14 12 A Q T <4 S- 0 0 48 -3,-0.9 -2,-0.2 1,-0.1 -1,-0.2 0.508 115.6 -99.4-124.9 -12.9 47.8 49.4 59.0 15 13 A G E < -A 11 0A 11 -4,-2.8 -4,-1.3 17,-0.1 2,-0.4 -0.064 24.2 -93.6 110.3 153.6 51.2 51.0 58.2 16 14 A Y E -A 10 0A 3 215,-0.4 17,-2.9 17,-0.3 2,-0.3 -0.883 45.4-171.3-103.1 135.6 54.9 50.5 58.6 17 15 A Y E -AC 9 32A 3 -8,-2.8 -8,-1.7 -2,-0.4 2,-0.3 -0.885 17.7-149.3-132.7 157.8 56.5 52.1 61.6 18 16 A V E -AC 8 31A 2 13,-2.6 13,-3.1 -2,-0.3 2,-0.4 -0.909 29.7-109.3-122.7 147.9 59.9 52.8 63.1 19 17 A E E + C 0 30A 64 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.654 43.7 171.8 -77.8 130.7 60.9 53.1 66.8 20 18 A M E - C 0 29A 0 9,-3.1 9,-3.4 -2,-0.4 2,-0.4 -0.937 24.0-142.1-132.7 156.8 61.7 56.6 68.0 21 19 A T E -DC 88 28A 18 67,-2.4 67,-2.2 -2,-0.3 2,-0.4 -0.984 15.3-171.7-119.2 138.7 62.4 58.4 71.2 22 20 A V E > +DC 87 27A 0 5,-2.4 5,-2.4 -2,-0.4 65,-0.2 -0.959 45.3 6.9-122.6 143.5 61.2 61.9 72.1 23 21 A G T 5S- 0 0 7 63,-2.1 4,-0.1 -2,-0.4 36,-0.1 -0.023 88.5 -45.7 87.7 173.4 62.1 64.0 75.2 24 22 A S T 5S+ 0 0 31 1,-0.2 36,-2.6 2,-0.1 37,-0.3 -0.983 129.2 29.9-130.2 118.9 64.5 63.9 78.1 25 23 A P T 5S- 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.614 121.8 -96.3 -72.2 161.7 64.7 61.3 79.5 26 24 A P T 5 - 0 0 92 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.183 33.1-158.5 -55.8 127.2 63.8 59.3 76.3 27 25 A Q E < -C 22 0A 30 -5,-2.4 -5,-2.4 -4,-0.1 2,-0.3 -0.950 18.5-136.3-102.5 118.3 60.1 58.4 75.8 28 26 A T E +C 21 0A 52 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.593 31.3 168.1 -78.5 129.0 59.9 55.5 73.4 29 27 A L E -C 20 0A 2 -9,-3.4 -9,-3.1 -2,-0.3 2,-0.5 -0.993 34.3-125.3-139.8 146.4 57.2 55.7 70.7 30 28 A N E -C 19 0A 2 -2,-0.3 88,-3.3 -11,-0.2 89,-1.1 -0.826 31.9-161.3 -92.4 129.4 56.3 53.8 67.5 31 29 A I E -Ce 18 119A 0 -13,-3.1 -13,-2.6 -2,-0.5 89,-0.3 -0.949 16.3-125.4-126.3 119.8 56.1 56.2 64.5 32 30 A L E -Ce 17 120A 13 87,-2.9 89,-3.5 -2,-0.5 2,-0.7 -0.351 24.8-128.9 -58.0 129.6 54.4 55.6 61.1 33 31 A V E + e 0 121A 1 -17,-2.9 2,-0.5 87,-0.2 -17,-0.3 -0.756 34.0 178.3 -85.5 113.7 56.7 56.2 58.2 34 32 A D E > + e 0 122A 8 87,-2.4 89,-2.8 -2,-0.7 3,-1.0 -0.839 25.6 171.6-128.5 97.8 54.9 58.6 55.8 35 33 A T T 3 S+ 0 0 0 -2,-0.5 166,-0.4 1,-0.2 194,-0.2 0.542 78.7 72.2 -73.7 -6.0 56.4 59.9 52.6 36 34 A G T 3 S+ 0 0 11 164,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.414 102.3 30.1 -91.7 0.6 53.0 61.4 51.8 37 35 A S < - 0 0 11 -3,-1.0 87,-2.8 84,-0.2 86,-0.2 -0.885 63.1-138.8-147.5 179.6 53.1 64.3 54.3 38 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.299 63.8 101.1-132.8 8.7 55.5 66.5 56.1 39 37 A N - 0 0 5 89,-0.1 83,-1.1 98,-0.1 2,-0.6 -0.834 55.8-147.8-100.5 135.6 54.4 66.9 59.8 40 38 A F E +F 121 0A 8 -2,-0.4 62,-2.4 81,-0.2 2,-0.3 -0.912 34.9 164.2 -97.2 117.8 56.0 65.0 62.7 41 39 A A E -Fg 120 102A 0 79,-2.1 79,-3.0 -2,-0.6 2,-0.3 -0.993 18.8-170.8-141.8 142.8 53.2 64.4 65.2 42 40 A V E -Fg 119 103A 0 60,-2.2 62,-3.1 -2,-0.3 77,-0.3 -0.985 36.6 -98.0-135.2 144.7 52.6 62.1 68.2 43 41 A G E + g 0 104A 1 75,-3.1 11,-3.1 -2,-0.3 62,-0.1 -0.398 39.9 174.7 -53.3 130.4 49.7 61.2 70.4 44 42 A A + 0 0 12 60,-2.2 12,-0.2 9,-0.2 -1,-0.1 0.213 59.5 43.8-129.2 11.3 50.0 63.4 73.5 45 43 A A S S- 0 0 32 59,-0.3 -1,-0.1 7,-0.1 9,-0.1 -0.970 99.6 -73.5-150.8 155.4 46.8 62.6 75.3 46 44 A P + 0 0 104 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.216 49.9 175.2 -54.4 140.0 44.9 59.3 76.1 47 45 A H > - 0 0 53 3,-0.3 3,-1.4 -4,-0.1 5,-0.0 -0.983 42.3-116.8-142.7 145.1 43.1 57.7 73.2 48 46 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.786 117.0 43.7 -50.3 -30.3 41.2 54.3 73.0 49 47 A F T 3 S+ 0 0 81 64,-0.1 2,-0.4 65,-0.0 65,-0.4 0.472 97.2 88.1 -98.7 -3.6 43.7 53.1 70.4 50 48 A L < - 0 0 19 -3,-1.4 -3,-0.3 1,-0.1 3,-0.1 -0.822 46.2-175.1 -99.4 135.0 46.9 54.3 72.0 51 49 A H S S+ 0 0 157 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.530 79.9 9.8 -98.3 -12.1 48.8 52.2 74.6 52 50 A R - 0 0 87 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.3 -0.973 67.4-173.4-157.7 161.9 51.3 55.1 75.2 53 51 A Y - 0 0 73 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.2 -0.957 36.9 -77.1-153.5 169.3 51.7 58.7 74.4 54 52 A Y - 0 0 3 -11,-3.1 2,-0.7 -2,-0.3 -31,-0.1 -0.572 35.1-161.3 -74.1 125.4 54.0 61.7 74.6 55 53 A Q > - 0 0 62 -2,-0.4 3,-1.1 1,-0.2 4,-0.3 -0.872 8.4-177.1-113.7 95.8 54.1 63.3 78.0 56 54 A R G > S+ 0 0 41 -2,-0.7 3,-1.7 1,-0.3 6,-0.3 0.850 79.6 61.4 -62.7 -38.9 55.5 66.8 77.6 57 55 A Q G 3 S+ 0 0 136 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.708 102.8 54.2 -61.8 -21.7 55.5 67.7 81.3 58 56 A L G < S+ 0 0 96 -3,-1.1 2,-0.6 -33,-0.0 -1,-0.3 0.494 91.5 86.1 -91.4 -6.3 57.9 64.8 81.8 59 57 A S X - 0 0 10 -3,-1.7 3,-0.8 -4,-0.3 -36,-0.1 -0.876 56.9-166.2-101.2 121.7 60.5 66.1 79.3 60 58 A S T 3 S+ 0 0 105 -36,-2.6 -1,-0.1 -2,-0.6 -4,-0.0 0.675 91.1 53.2 -74.9 -19.0 63.0 68.6 80.6 61 59 A T T 3 S+ 0 0 31 -37,-0.3 -1,-0.2 25,-0.1 2,-0.1 0.379 79.3 125.4 -98.8 1.0 64.0 69.5 77.0 62 60 A Y < - 0 0 55 -3,-0.8 2,-0.5 -6,-0.3 23,-0.2 -0.407 42.1-164.1 -62.2 130.1 60.4 70.2 75.8 63 61 A R E -H 84 0A 150 21,-2.9 21,-2.5 -2,-0.1 2,-0.5 -0.986 12.0-139.9-119.1 127.2 60.0 73.7 74.3 64 62 A D E -H 83 0A 94 -2,-0.5 19,-0.2 19,-0.2 18,-0.0 -0.733 10.7-167.5 -87.7 126.8 56.5 75.1 73.9 65 63 A L E - 0 0 77 17,-1.9 18,-0.2 -2,-0.5 -1,-0.1 0.432 30.9-134.4 -91.9 -0.5 55.9 77.0 70.6 66 64 A R E + 0 0 222 16,-0.4 2,-0.4 1,-0.2 17,-0.1 0.831 66.3 115.3 54.4 38.4 52.6 78.5 71.9 67 65 A K E -H 82 0A 82 15,-0.6 15,-3.2 2,-0.0 -2,-0.2 -0.997 58.3-136.0-145.6 134.4 50.9 77.6 68.6 68 66 A G E -H 81 0A 51 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.420 17.5-158.9 -83.0 161.9 48.1 75.3 67.5 69 67 A V E -H 80 0A 8 11,-2.2 11,-2.7 34,-0.1 2,-0.4 -0.995 8.0-166.4-144.3 138.4 48.1 73.0 64.4 70 68 A Y E -H 79 0A 102 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.993 5.8-174.8-124.3 125.8 45.4 71.4 62.3 71 69 A V E -H 78 0A 8 7,-2.3 7,-1.7 -2,-0.4 2,-0.6 -0.917 1.4-172.5-123.6 104.8 46.3 68.6 59.8 72 70 A P E -H 77 0A 41 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.863 4.3-172.3 -92.1 122.4 43.5 67.3 57.6 73 71 A Y - 0 0 62 3,-2.7 -36,-0.0 -2,-0.6 37,-0.0 -0.454 49.4 -81.8 -92.3-179.4 44.4 64.3 55.5 74 72 A T S S- 0 0 104 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.904 119.6 -3.3 -52.6 -47.3 42.0 63.0 52.8 75 73 A Q S S+ 0 0 165 34,-0.1 2,-0.2 1,-0.1 -1,-0.1 0.753 128.0 53.3-116.5 -38.9 39.8 61.0 55.3 76 74 A G - 0 0 10 34,-0.1 -3,-2.7 31,-0.0 2,-0.3 -0.602 60.0-179.0-100.4 161.8 41.5 61.3 58.8 77 75 A K E -HI 72 108A 57 31,-2.2 31,-3.1 -5,-0.2 2,-0.3 -0.986 8.9-169.1-154.3 158.4 42.5 64.4 60.7 78 76 A W E -HI 71 107A 3 -7,-1.7 -7,-2.3 -2,-0.3 2,-0.4 -0.970 11.0-147.2-147.0 165.7 44.1 65.6 64.0 79 77 A E E +HI 70 106A 97 27,-3.4 26,-2.4 -2,-0.3 27,-2.0 -0.982 29.3 158.1-133.7 140.7 44.6 68.7 66.0 80 78 A G E -HI 69 104A 7 -11,-2.7 -11,-2.2 -2,-0.4 2,-0.5 -0.912 39.7-100.4-154.7 179.7 47.6 69.5 68.2 81 79 A E E -HI 68 103A 87 22,-2.2 22,-2.9 -2,-0.3 -13,-0.2 -0.949 38.1-129.5-113.9 128.5 49.9 71.8 70.0 82 80 A L E +HI 67 102A 2 -15,-3.2 -17,-1.9 -2,-0.5 -15,-0.6 -0.529 43.4 131.1 -80.4 140.7 53.3 72.7 68.4 83 81 A G E -HI 64 101A 3 18,-1.8 18,-2.8 -19,-0.2 2,-0.3 -0.922 42.7-114.0-161.4-174.7 56.6 72.5 70.3 84 82 A T E +HI 63 100A 18 -21,-2.5 -21,-2.9 -2,-0.3 2,-0.3 -0.944 30.6 161.8-130.4 157.3 60.1 71.2 69.9 85 83 A D E - I 0 99A 0 14,-1.5 14,-2.3 -2,-0.3 2,-0.2 -0.969 45.5 -79.7-162.0 166.0 62.1 68.4 71.7 86 84 A L E - I 0 98A 52 -2,-0.3 -63,-2.1 12,-0.2 2,-0.4 -0.553 49.2-167.8 -75.3 136.4 65.2 66.2 71.3 87 85 A V E +DI 22 97A 2 10,-2.8 10,-2.6 -2,-0.2 2,-0.3 -0.986 11.1 178.1-135.1 136.2 64.5 63.2 69.1 88 86 A S E -DI 21 96A 27 -67,-2.2 -67,-2.4 -2,-0.4 8,-0.1 -0.925 24.6-141.7-132.3 160.0 66.5 60.0 68.4 89 87 A I > - 0 0 10 6,-0.6 3,-2.2 4,-0.5 6,-0.2 -0.916 13.7-158.1-121.9 101.2 66.0 56.9 66.3 90 88 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.817 95.4 34.4 -49.8 -40.9 67.3 53.9 68.3 91 89 A H T 3 S+ 0 0 103 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.280 115.0 70.4-109.6 43.1 67.8 51.7 65.2 92 90 A G S < S- 0 0 11 -3,-2.2 85,-0.0 1,-0.3 2,-0.0 -0.433 102.1 -32.2-127.5-154.0 68.8 54.7 63.0 93 91 A P - 0 0 23 0, 0.0 2,-2.4 0, 0.0 -4,-0.5 -0.337 67.0-104.2 -68.2 153.4 71.9 56.9 62.9 94 92 A N S S+ 0 0 173 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.432 83.0 109.9 -79.5 67.9 73.7 57.6 66.2 95 93 A V - 0 0 44 -2,-2.4 -6,-0.6 -6,-0.2 2,-0.4 -0.951 55.1-148.6-142.3 156.9 72.3 61.1 66.5 96 94 A T E - I 0 88A 80 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -1.000 22.2-175.2-127.9 130.4 70.0 63.3 68.5 97 95 A V E - I 0 87A 2 -10,-2.6 -10,-2.8 -2,-0.4 2,-0.7 -0.933 28.2-126.1-125.5 147.7 68.2 66.2 66.9 98 96 A R E + I 0 86A 48 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.867 45.7 171.2 -89.8 119.9 65.9 69.0 68.1 99 97 A A E - I 0 85A 3 -14,-2.3 -14,-1.5 -2,-0.7 2,-0.1 -0.916 39.3 -96.0-132.2 152.1 62.8 68.8 65.9 100 98 A N E - I 0 84A 33 36,-0.5 2,-0.4 -2,-0.3 -16,-0.2 -0.428 41.8-171.4 -59.9 137.2 59.3 70.3 65.6 101 99 A I E - I 0 83A 2 -18,-2.8 -18,-1.8 -2,-0.1 2,-0.7 -0.992 18.2-147.1-136.3 129.0 56.7 68.0 67.1 102 100 A A E -gI 41 82A 1 -62,-2.4 -60,-2.2 -2,-0.4 2,-0.9 -0.876 16.5-146.3 -93.7 112.6 52.9 68.3 66.9 103 101 A A E -gI 42 81A 2 -22,-2.9 -22,-2.2 -2,-0.7 2,-0.4 -0.717 17.9-136.9 -82.3 107.2 51.5 67.0 70.2 104 102 A I E +gI 43 80A 5 -62,-3.1 -60,-2.2 -2,-0.9 -59,-0.3 -0.517 37.1 160.8 -73.9 122.7 48.1 65.5 69.1 105 103 A T E + 0 0 43 -26,-2.4 2,-0.3 -2,-0.4 -25,-0.2 0.615 68.7 26.6-114.4 -23.7 45.3 66.4 71.5 106 104 A E E + I 0 79A 122 -27,-2.0 -27,-3.4 2,-0.0 -1,-0.4 -0.997 67.3 168.6-141.2 139.0 42.3 65.7 69.3 107 105 A S E - I 0 78A 35 -2,-0.3 2,-0.4 -29,-0.3 -29,-0.3 -0.994 19.8-158.1-149.4 154.7 41.9 63.3 66.3 108 106 A D E S- I 0 77A 93 -31,-3.1 -31,-2.2 -2,-0.3 -2,-0.0 -0.950 81.0 -20.9-137.8 115.9 39.2 61.8 64.1 109 107 A K S S+ 0 0 99 -2,-0.4 -34,-0.1 -33,-0.2 -31,-0.1 0.806 106.4 109.3 57.7 33.6 39.8 58.5 62.2 110 108 A F + 0 0 18 -33,-0.2 -32,-0.1 -34,-0.1 -34,-0.1 0.867 58.6 60.6 -98.7 -66.0 43.6 59.0 62.5 111 109 A F S S- 0 0 12 1,-0.1 2,-0.5 7,-0.1 7,-0.1 -0.284 76.6-137.8 -66.3 149.1 44.9 56.4 64.9 112 110 A I > - 0 0 59 5,-0.3 3,-2.0 -63,-0.1 4,-0.3 -0.951 17.4-116.1-118.8 123.7 44.4 52.7 64.0 113 111 A N T 3 S+ 0 0 102 -2,-0.5 -64,-0.1 1,-0.3 -63,-0.1 -0.359 98.7 2.8 -59.1 121.4 43.3 50.1 66.5 114 112 A G T 3 S+ 0 0 15 -65,-0.4 -1,-0.3 -2,-0.2 -100,-0.1 0.461 92.0 119.7 83.3 3.5 46.0 47.4 66.9 115 113 A S < - 0 0 10 -3,-2.0 -2,-0.1 2,-0.2 3,-0.1 0.680 68.9-137.5 -73.5 -18.9 48.5 49.1 64.5 116 114 A N + 0 0 35 -4,-0.3 2,-0.3 -67,-0.2 -86,-0.1 0.526 64.8 113.8 68.7 10.0 51.1 49.5 67.3 117 115 A W - 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