==== 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 3OHF . 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) . 31656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 511 66.0 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 . 216 27.9 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 . 2 0.3 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 . 2 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 . 88 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.7 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 . 7 5 4 8 4 8 2 0 0 0 1 1 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 98 0, 0.0 3,-2.5 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 30.7 50.6 58.7 76.1 2 48PA V G >4 + 0 0 122 1,-0.3 3,-0.6 2,-0.2 180,-0.0 0.777 360.0 65.4 -45.5 -39.1 50.8 60.6 72.8 3 1 A E G 34 S+ 0 0 114 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.753 107.9 40.4 -58.0 -27.5 51.2 63.9 74.6 4 2 A M G X4 S+ 0 0 3 -3,-2.5 3,-1.4 2,-0.0 172,-0.6 0.562 88.4 111.0-100.2 -14.5 54.6 62.8 76.0 5 3 A V T << S+ 0 0 35 -4,-0.9 170,-0.1 -3,-0.6 172,-0.0 -0.386 87.3 12.0 -61.1 136.4 55.9 61.1 72.9 6 4 A D T 3 S+ 0 0 90 149,-0.1 -1,-0.3 1,-0.1 169,-0.2 0.727 84.3 133.1 66.5 27.3 58.8 62.9 71.3 7 5 A N < + 0 0 19 -3,-1.4 12,-0.6 84,-0.1 2,-0.3 0.469 50.5 82.6 -85.6 -1.6 59.3 65.2 74.3 8 6 A L E -AB 18 174A 0 166,-2.3 165,-3.1 10,-0.1 166,-0.9 -0.740 51.8-178.2-104.2 152.9 63.1 64.7 74.4 9 7 A R E +A 17 0A 72 8,-1.7 8,-2.6 164,-0.3 2,-0.3 -0.947 36.5 60.9-140.0 160.6 66.0 66.3 72.4 10 8 A G E -A 16 0A 5 158,-0.4 2,-0.3 -2,-0.3 6,-0.2 -0.833 62.3-100.1 124.8-161.3 69.7 65.8 72.4 11 9 A K E >> -A 15 0A 62 4,-1.1 4,-2.5 -2,-0.3 3,-1.3 -0.960 34.9 -95.3-161.4 164.1 72.2 63.1 71.5 12 10 A S T 34 S+ 0 0 11 -2,-0.3 325,-0.2 1,-0.3 326,-0.1 0.819 116.5 56.2 -61.5 -35.4 74.5 60.6 73.4 13 11 A G T 34 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.1 221,-0.1 0.655 124.9 20.2 -71.7 -16.8 77.6 62.8 73.4 14 12 A Q T <4 S- 0 0 50 -3,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.488 114.7-102.4-131.2 -13.2 75.9 65.7 75.2 15 13 A G E < -A 11 0A 10 -4,-2.5 -4,-1.1 17,-0.1 2,-0.4 -0.045 24.5 -91.7 106.7 155.2 72.8 64.2 76.8 16 14 A Y E -A 10 0A 3 17,-0.3 17,-2.9 215,-0.3 2,-0.3 -0.885 44.7-171.0-103.8 136.2 69.1 64.0 76.3 17 15 A Y E -AC 9 32A 2 -8,-2.6 -8,-1.7 -2,-0.4 2,-0.3 -0.880 16.0-149.9-131.7 156.9 66.9 66.6 78.0 18 16 A V E -AC 8 31A 2 13,-2.6 13,-3.1 -2,-0.3 2,-0.3 -0.915 29.5-108.7-122.8 149.2 63.3 67.4 78.7 19 17 A E E + C 0 30A 58 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.618 43.4 170.2 -78.4 135.3 61.6 70.9 79.0 20 18 A M E - C 0 29A 0 9,-2.8 9,-3.0 -2,-0.3 2,-0.4 -0.923 24.5-141.1-136.0 161.0 60.5 71.8 82.5 21 19 A T E -DC 88 28A 20 67,-2.3 67,-2.4 -2,-0.3 2,-0.3 -0.984 17.2-172.6-122.7 142.5 59.3 75.0 84.3 22 20 A V E > +DC 87 27A 0 5,-1.9 5,-2.5 -2,-0.4 65,-0.2 -0.983 43.1 6.7-129.5 143.6 60.2 76.0 87.8 23 21 A G T 5S- 0 0 5 63,-2.3 4,-0.1 -2,-0.3 36,-0.1 -0.025 89.0 -42.9 86.7 173.8 58.9 78.8 90.0 24 22 A S T 5S+ 0 0 31 2,-0.1 36,-2.6 1,-0.1 37,-0.2 -0.979 130.6 28.5-129.9 117.3 56.1 81.4 89.9 25 23 A P T 5S- 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.612 122.2 -96.3 -69.0 162.0 55.7 82.7 87.3 26 24 A P T 5 - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.205 32.6-155.8 -55.4 127.7 57.0 79.6 85.4 27 25 A Q E < -C 22 0A 27 -5,-2.5 -5,-1.9 -4,-0.1 2,-0.3 -0.936 16.8-138.1-103.8 113.7 60.7 79.7 84.4 28 26 A T E +C 21 0A 53 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.544 31.2 167.7 -74.8 131.7 61.3 77.4 81.4 29 27 A L E -C 20 0A 3 -9,-3.0 -9,-2.8 -2,-0.3 2,-0.5 -0.996 35.1-125.8-144.9 143.6 64.5 75.3 81.5 30 28 A N E -C 19 0A 2 -2,-0.3 88,-3.3 -11,-0.2 89,-1.0 -0.825 31.9-161.9 -92.7 126.6 65.9 72.4 79.6 31 29 A I E -Ce 18 119A 0 -13,-3.1 -13,-2.6 -2,-0.5 89,-0.3 -0.935 17.0-124.8-123.4 119.5 66.8 69.6 82.0 32 30 A L E -Ce 17 120A 12 87,-2.9 89,-3.6 -2,-0.5 2,-0.7 -0.355 24.1-130.8 -54.8 128.2 69.1 66.6 81.4 33 31 A V E + e 0 121A 1 -17,-2.9 2,-0.5 87,-0.2 -17,-0.3 -0.781 33.0 178.6 -85.9 112.6 67.4 63.2 82.0 34 32 A D E > + e 0 122A 7 87,-2.4 89,-2.9 -2,-0.7 3,-0.9 -0.899 24.5 176.5-126.4 103.9 69.8 61.3 84.3 35 33 A T T 3 S+ 0 0 0 -2,-0.5 166,-0.5 1,-0.2 194,-0.2 0.520 79.0 71.1 -76.4 -4.7 69.0 57.8 85.6 36 34 A G T 3 S+ 0 0 10 164,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.371 101.0 34.1 -95.3 3.3 72.5 57.6 87.2 37 35 A S < - 0 0 11 -3,-0.9 87,-2.9 84,-0.2 92,-0.1 -0.872 62.1-139.6-147.8-179.7 71.9 60.2 90.0 38 36 A S + 0 0 3 90,-0.3 2,-0.4 -2,-0.3 100,-0.2 0.269 63.7 100.5-135.7 7.2 69.2 61.5 92.4 39 37 A N - 0 0 6 98,-0.1 83,-0.9 89,-0.1 2,-0.6 -0.865 55.6-148.5-101.6 134.0 69.6 65.3 92.6 40 38 A F E +F 121 0A 8 -2,-0.4 62,-2.3 81,-0.2 2,-0.3 -0.905 35.8 163.9 -94.6 117.1 67.4 67.7 90.8 41 39 A A E -Fg 120 102A 0 79,-2.2 79,-2.9 -2,-0.6 2,-0.3 -0.992 19.4-169.5-141.4 145.0 69.7 70.7 90.1 42 40 A V E -Fg 119 103A 0 60,-2.4 62,-3.2 -2,-0.3 77,-0.3 -0.977 36.8 -96.3-134.9 147.5 69.6 73.8 87.9 43 41 A G E + g 0 104A 1 75,-3.3 11,-3.6 -2,-0.3 62,-0.1 -0.433 40.4 176.0 -54.3 129.7 72.0 76.6 86.8 44 42 A A + 0 0 13 60,-1.9 12,-0.2 9,-0.3 -1,-0.1 0.168 58.7 42.9-128.2 13.1 71.2 79.5 89.1 45 43 A A S S- 0 0 33 59,-0.2 -1,-0.1 7,-0.1 9,-0.1 -0.972 98.9 -74.7-155.0 153.9 73.8 82.0 88.1 46 44 A P + 0 0 99 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.231 52.1 172.1 -53.6 142.2 75.4 83.2 84.8 47 45 A H > - 0 0 57 3,-0.5 3,-1.6 1,-0.1 5,-0.0 -0.974 43.2-115.3-153.4 141.3 77.8 80.8 83.2 48 46 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.816 115.9 44.7 -48.2 -35.7 79.5 80.8 79.8 49 47 A F T 3 S+ 0 0 86 64,-0.1 2,-0.5 -3,-0.0 65,-0.3 0.519 98.9 84.2 -92.8 -5.3 77.6 77.7 78.6 50 48 A L < - 0 0 16 -3,-1.6 -3,-0.5 1,-0.1 3,-0.1 -0.866 47.6-175.0-105.3 128.6 74.2 78.7 79.9 51 49 A H S S+ 0 0 163 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.553 81.5 13.1 -91.2 -13.1 71.8 81.0 77.9 52 50 A R - 0 0 88 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.974 67.1-175.5-155.1 164.6 69.4 80.9 80.8 53 51 A Y - 0 0 69 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.3 -0.967 39.2 -75.9-157.9 166.6 69.3 80.0 84.5 54 52 A Y - 0 0 3 -11,-3.6 2,-0.8 -2,-0.3 -31,-0.1 -0.578 36.0-160.5 -74.0 121.6 67.0 79.7 87.5 55 53 A Q > - 0 0 66 -2,-0.4 3,-1.4 1,-0.2 4,-0.3 -0.830 9.5-178.2-108.6 92.3 66.3 83.1 89.0 56 54 A R G > S+ 0 0 43 -2,-0.8 3,-1.6 1,-0.3 6,-0.3 0.831 78.8 60.7 -61.3 -39.3 65.1 82.4 92.6 57 55 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.686 102.6 55.4 -60.8 -19.9 64.5 86.1 93.5 58 56 A L G < S+ 0 0 92 -3,-1.4 2,-0.6 -33,-0.0 -1,-0.3 0.462 90.3 86.6 -94.6 -4.5 61.9 86.1 90.7 59 57 A S X - 0 0 10 -3,-1.6 3,-0.9 -4,-0.3 -36,-0.1 -0.889 57.1-164.1-104.9 120.1 59.9 83.2 91.9 60 58 A S T 3 S+ 0 0 104 -36,-2.6 -1,-0.1 -2,-0.6 -4,-0.0 0.710 92.6 52.1 -69.6 -22.6 57.1 84.0 94.5 61 59 A T T 3 S+ 0 0 30 -37,-0.2 -1,-0.2 25,-0.1 23,-0.1 0.419 79.9 125.6 -97.4 0.2 56.9 80.3 95.4 62 60 A Y < - 0 0 53 -3,-0.9 2,-0.4 -6,-0.3 23,-0.2 -0.368 41.2-165.2 -60.9 134.1 60.7 79.8 96.1 63 61 A R E -H 84 0A 147 21,-2.4 21,-2.1 -2,-0.1 2,-0.5 -0.994 12.4-140.5-125.3 124.6 61.5 78.4 99.5 64 62 A D E -H 83 0A 92 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.735 9.6-167.3 -86.9 122.5 65.1 78.6 100.9 65 63 A L E - 0 0 76 17,-1.9 18,-0.2 -2,-0.5 -1,-0.1 0.434 32.4-134.3 -86.1 -1.4 66.2 75.5 102.8 66 64 A R E + 0 0 216 16,-0.5 2,-0.3 1,-0.1 17,-0.1 0.897 65.9 111.3 53.8 49.7 69.2 77.4 104.1 67 65 A K E - 0 0 100 15,-0.4 15,-3.1 2,-0.0 -2,-0.2 -0.966 59.5-133.2-157.7 131.8 71.7 74.6 103.3 68 66 A G E -H 81 0A 53 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.386 17.8-160.8 -82.5 165.4 74.5 74.0 100.9 69 67 A V E -H 80 0A 10 11,-1.9 11,-2.4 -2,-0.1 2,-0.4 -0.991 6.4-162.8-150.2 136.6 75.0 70.9 98.8 70 68 A Y E -H 79 0A 106 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.993 7.1-174.2-125.0 126.0 78.0 69.4 96.9 71 69 A V E -H 78 0A 7 7,-3.0 7,-2.0 -2,-0.4 2,-0.5 -0.927 2.8-177.2-126.2 104.6 77.7 66.8 94.2 72 70 A P E -H 77 0A 40 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.897 10.2-170.3 -92.3 126.2 80.7 65.2 92.6 73 71 A Y - 0 0 52 3,-2.7 3,-0.2 -2,-0.5 -36,-0.0 -0.501 45.5 -93.6 -99.2 178.8 80.0 62.7 89.8 74 72 A T S S+ 0 0 118 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.914 124.2 27.4 -55.8 -40.1 82.4 60.3 88.1 75 73 A Q S S- 0 0 132 1,-0.1 -1,-0.3 35,-0.0 34,-0.0 -0.990 124.7 -4.7-125.1 122.8 82.8 63.2 85.7 76 74 A G - 0 0 13 -2,-0.4 -3,-2.7 -3,-0.2 2,-0.3 0.112 60.6-141.6 84.6 162.1 82.2 66.8 86.7 77 75 A K E -HI 72 108A 87 31,-2.1 31,-2.8 -5,-0.2 2,-0.3 -0.986 12.7-175.3-157.3 157.4 81.0 68.5 89.9 78 76 A W E -HI 71 107A 3 -7,-2.0 -7,-3.0 -2,-0.3 2,-0.3 -0.986 10.9-152.9-150.5 157.3 78.9 71.3 91.2 79 77 A E E +HI 70 106A 99 27,-2.7 27,-1.9 -2,-0.3 26,-1.9 -0.970 26.8 152.2-128.1 153.0 77.9 73.0 94.5 80 78 A G E -HI 69 104A 5 -11,-2.4 -11,-1.9 -2,-0.3 2,-0.4 -0.868 42.0 -87.3-158.1-170.9 74.7 74.9 95.2 81 79 A E E -HI 68 103A 81 22,-2.0 22,-2.9 -2,-0.3 -13,-0.2 -0.960 40.2-125.9-120.6 130.1 72.1 76.0 97.6 82 80 A L E + I 0 102A 2 -15,-3.1 -17,-1.9 -2,-0.4 -16,-0.5 -0.468 43.5 135.1 -80.7 145.9 69.1 73.9 98.5 83 81 A G E -HI 64 101A 2 18,-1.5 18,-2.9 -19,-0.2 2,-0.3 -0.931 40.9-117.4-165.1-179.4 65.5 75.0 98.2 84 82 A T E +HI 63 100A 17 -21,-2.1 -21,-2.4 -2,-0.3 2,-0.3 -0.923 31.7 158.4-128.5 161.3 62.0 74.0 97.0 85 83 A D E - I 0 99A 0 14,-1.6 14,-2.3 -2,-0.3 2,-0.3 -0.963 46.7 -77.9-168.3 168.2 59.7 75.4 94.4 86 84 A L E - I 0 98A 54 -2,-0.3 -63,-2.3 12,-0.2 2,-0.4 -0.639 49.0-171.4 -79.3 132.1 56.8 74.5 92.1 87 85 A V E +DI 22 97A 1 10,-3.0 10,-2.4 -2,-0.3 2,-0.3 -0.980 8.9 179.5-130.8 138.1 57.8 72.4 89.1 88 86 A S E -DI 21 96A 29 -67,-2.4 -67,-2.3 -2,-0.4 8,-0.1 -0.888 24.3-140.9-129.5 163.6 56.0 71.3 85.9 89 87 A I > - 0 0 11 6,-0.5 3,-2.4 4,-0.5 -69,-0.2 -0.902 12.7-160.0-124.8 97.8 56.8 69.3 82.8 90 88 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.803 95.3 34.9 -46.3 -41.3 55.0 71.0 79.8 91 89 A H T 3 S+ 0 0 96 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.215 115.5 67.7-111.6 40.0 55.2 67.8 77.7 92 90 A G S < S- 0 0 8 -3,-2.4 85,-0.0 1,-0.2 2,-0.0 -0.464 104.5 -32.2-126.5-154.0 54.7 65.4 80.7 93 91 A P - 0 0 19 0, 0.0 2,-2.2 0, 0.0 -4,-0.5 -0.343 65.8-106.4 -69.7 148.6 51.7 64.8 82.9 94 92 A N S S+ 0 0 176 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.501 81.6 109.5 -76.6 77.0 49.4 67.8 83.6 95 93 A V - 0 0 44 -2,-2.2 -6,-0.5 -6,-0.2 2,-0.4 -0.976 56.7-143.9-148.4 157.2 50.6 68.3 87.2 96 94 A T E - I 0 88A 83 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.997 22.0-171.5-126.3 131.5 52.6 70.7 89.4 97 95 A V E - I 0 87A 2 -10,-2.4 -10,-3.0 -2,-0.4 2,-0.7 -0.909 25.3-130.6-122.6 145.4 54.8 69.4 92.2 98 96 A R E + I 0 86A 48 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.906 46.1 169.2 -93.1 118.8 56.7 71.1 95.0 99 97 A A E - I 0 85A 2 -14,-2.3 -14,-1.6 -2,-0.7 2,-0.2 -0.877 39.9 -95.4-132.2 154.9 60.1 69.6 94.8 100 98 A N E - I 0 84A 30 36,-0.5 2,-0.4 -2,-0.3 -16,-0.3 -0.492 41.3-173.1 -63.7 136.6 63.6 70.0 96.1 101 99 A I E - I 0 83A 3 -18,-2.9 -18,-1.5 -2,-0.2 2,-0.7 -0.995 19.4-146.6-137.1 129.9 65.9 72.0 93.8 102 100 A A E -gI 41 82A 1 -62,-2.3 -60,-2.4 -2,-0.4 2,-0.8 -0.882 16.6-146.3 -92.8 116.9 69.6 72.6 94.1 103 101 A A E -gI 42 81A 1 -22,-2.9 -22,-2.0 -2,-0.7 2,-0.5 -0.780 19.4-135.5 -84.9 108.4 70.4 76.0 92.8 104 102 A I E +gI 43 80A 5 -62,-3.2 -60,-1.9 -2,-0.8 -24,-0.3 -0.546 36.4 163.3 -76.6 119.6 73.9 75.6 91.3 105 103 A T E + 0 0 48 -26,-1.9 2,-0.3 -2,-0.5 -25,-0.2 0.691 67.9 23.2-106.0 -30.1 76.2 78.5 92.2 106 104 A E E + I 0 79A 123 -27,-1.9 -27,-2.7 2,-0.0 -1,-0.3 -0.989 67.3 169.8-137.3 147.8 79.6 77.0 91.3 107 105 A S E - I 0 78A 34 -2,-0.3 2,-0.4 -29,-0.2 -29,-0.2 -0.995 21.4-153.1-155.7 154.3 80.6 74.1 88.9 108 106 A D E S- I 0 77A 86 -31,-2.8 -31,-2.1 -2,-0.3 -2,-0.0 -0.985 80.5 -24.7-131.5 121.2 83.6 72.4 87.3 109 107 A K S S+ 0 0 149 -2,-0.4 -31,-0.1 -33,-0.2 -1,-0.1 0.817 105.3 110.3 50.1 39.4 83.3 70.5 84.0 110 108 A F + 0 0 18 -33,-0.2 -1,-0.1 -34,-0.2 -32,-0.1 0.827 57.7 60.7-104.5 -65.4 79.6 69.9 84.5 111 109 A F S S- 0 0 12 7,-0.1 2,-0.5 1,-0.1 7,-0.1 -0.316 76.1-141.2 -65.8 149.1 77.7 72.1 82.0 112 110 A I > - 0 0 60 5,-0.3 3,-1.7 -98,-0.1 4,-0.3 -0.956 16.6-116.3-119.6 125.0 78.4 71.3 78.3 113 111 A N T 3 S+ 0 0 97 -2,-0.5 -64,-0.1 1,-0.2 -63,-0.1 -0.378 98.0 6.8 -62.2 131.5 78.7 74.0 75.7 114 112 A G T 3 S+ 0 0 18 -65,-0.3 -1,-0.2 -2,-0.1 -100,-0.1 0.396 92.5 115.6 80.1 -2.3 76.0 73.8 73.0 115 113 A S S < S- 0 0 6 -3,-1.7 -2,-0.1 2,-0.1 3,-0.1 0.686 71.0-139.7 -69.9 -21.6 74.1 71.0 74.8 116 114 A N + 0 0 41 -4,-0.3 2,-0.3 -67,-0.3 -86,-0.1 0.586 62.1 114.8 67.9 15.3 71.1 73.3 75.3 117 115 A W - 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