==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAR-08 2ZJM . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.J.ALLISON,P.PHAM,M.J.ROMANOWSKI,S.K.MUNSHI . 377 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 29.4 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 . 2 0.5 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 . 49 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.4 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 3 1 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 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 5 3 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 1 445 A G > 0 0 93 0, 0.0 3,-1.2 0, 0.0 172,-0.1 0.000 360.0 360.0 360.0 128.7 38.6 41.2 32.8 2 446 A S T 3 + 0 0 114 1,-0.2 3,-0.4 2,-0.1 171,-0.1 0.716 360.0 57.7 -71.9 -19.1 40.9 38.3 32.0 3 447 A F T >> + 0 0 49 1,-0.2 3,-2.1 169,-0.1 4,-0.5 0.166 69.0 121.6 -96.6 18.8 40.4 38.9 28.2 4 448 A V G X4 + 0 0 92 -3,-1.2 3,-1.0 1,-0.3 -1,-0.2 0.782 63.9 62.2 -52.2 -34.7 41.7 42.5 28.4 5 1 A E G 34 S+ 0 0 168 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.636 102.0 53.2 -71.8 -9.0 44.5 42.1 25.9 6 2 A M G X4 S+ 0 0 22 -3,-2.1 3,-1.1 160,-0.0 161,-0.7 0.568 82.4 111.8 -98.2 -11.5 41.9 41.2 23.2 7 3 A V T << S+ 0 0 52 -3,-1.0 159,-0.1 -4,-0.5 -3,-0.0 -0.392 85.7 8.7 -65.9 137.8 39.8 44.3 23.6 8 4 A D T 3 S+ 0 0 77 149,-0.1 -1,-0.3 1,-0.1 158,-0.2 0.814 82.3 136.4 62.0 35.8 40.0 46.8 20.8 9 5 A N < + 0 0 15 -3,-1.1 12,-0.5 84,-0.1 2,-0.4 0.375 50.8 81.9 -92.0 5.3 41.9 44.4 18.5 10 6 A L E +AB 20 165A 0 155,-2.3 155,-1.4 10,-0.1 2,-0.3 -0.873 52.0 172.7-113.2 145.9 39.7 45.3 15.5 11 7 A R E +AB 19 164A 121 8,-2.0 8,-3.2 -2,-0.4 2,-0.3 -0.902 13.4 126.5-140.3 166.4 39.9 48.3 13.1 12 8 A G E -A 18 0A 11 151,-1.3 2,-0.3 -2,-0.3 6,-0.2 -0.989 48.7 -71.2 168.0-175.3 38.2 49.3 9.9 13 9 A K > - 0 0 105 4,-0.9 3,-1.6 -2,-0.3 2,-1.6 -0.823 53.4 -97.6-109.3 151.0 36.2 51.8 7.7 14 10 A S T 3 S+ 0 0 49 -2,-0.3 147,-0.1 1,-0.3 4,-0.1 0.236 118.4 4.8 -52.9 16.3 32.6 52.7 8.2 15 11 A G T 3 S+ 0 0 27 -2,-1.6 -1,-0.3 2,-0.2 210,-0.1 0.297 111.1 84.1 177.3 11.9 31.5 50.3 5.5 16 12 A Q S < S- 0 0 54 -3,-1.6 -2,-0.1 1,-0.3 98,-0.1 0.126 95.8-105.0-114.5 18.1 34.5 48.3 4.4 17 13 A G - 0 0 22 -4,-0.5 -4,-0.9 -5,-0.1 2,-0.4 0.061 33.1 -78.5 82.7 166.9 34.4 45.7 7.2 18 14 A Y E -A 12 0A 9 17,-0.4 17,-2.8 204,-0.3 2,-0.3 -0.854 43.2-165.5-106.6 141.5 36.4 45.1 10.4 19 15 A Y E -AC 11 34A 25 -8,-3.2 -8,-2.0 -2,-0.4 2,-0.3 -0.926 9.1-156.4-130.6 155.3 39.9 43.5 10.4 20 16 A V E -AC 10 33A 1 13,-2.8 13,-3.2 -2,-0.3 2,-0.3 -0.901 30.7-104.8-124.7 151.6 42.2 41.9 12.9 21 17 A E E - C 0 32A 71 -12,-0.5 72,-0.4 -2,-0.3 2,-0.4 -0.623 38.4-176.8 -79.2 134.8 46.0 41.5 12.7 22 18 A M E - C 0 31A 1 9,-2.6 9,-2.6 -2,-0.3 2,-0.5 -0.998 16.6-145.2-133.7 137.0 47.1 38.0 12.0 23 19 A T E -DC 90 30A 28 67,-3.1 67,-2.4 -2,-0.4 2,-0.4 -0.908 21.6-174.2-106.7 124.6 50.7 36.8 11.8 24 20 A V E > -DC 89 29A 1 5,-3.1 5,-1.2 -2,-0.5 65,-0.2 -0.911 36.0 -7.5-122.6 145.3 51.5 34.1 9.3 25 21 A G T 5S- 0 0 12 63,-2.3 4,-0.2 -2,-0.4 36,-0.1 -0.038 84.6 -43.9 76.1-173.8 54.6 32.0 8.5 26 22 A S T 5S+ 0 0 45 2,-0.1 36,-2.8 1,-0.1 37,-0.4 -0.952 124.8 32.2-148.0 119.6 58.2 32.0 9.7 27 23 A P T 5S- 0 0 86 0, 0.0 36,-0.1 0, 0.0 -1,-0.1 0.601 122.2 -90.8 -61.6 165.3 59.8 34.5 10.0 28 24 A P T 5 - 0 0 102 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.150 41.4-174.2 -54.5 136.4 56.6 36.4 11.0 29 25 A Q E < -C 24 0A 27 -5,-1.2 -5,-3.1 -4,-0.2 2,-0.4 -0.937 11.7-161.4-133.3 105.9 54.5 38.1 8.3 30 26 A T E +C 23 0A 48 -2,-0.4 2,-0.3 -7,-0.3 -7,-0.2 -0.759 14.3 171.4 -95.6 136.4 51.7 40.2 9.9 31 27 A L E -C 22 0A 3 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.6 -0.920 37.6-107.0-137.7 161.8 48.7 41.3 7.8 32 28 A N E -C 21 0A 10 -2,-0.3 88,-3.5 -11,-0.2 89,-1.0 -0.838 40.2-164.9 -93.5 120.2 45.3 42.9 8.4 33 29 A I E -Ce 20 121A 0 -13,-3.2 -13,-2.8 -2,-0.6 89,-0.3 -0.922 18.0-123.3-117.3 128.0 42.5 40.3 8.0 34 30 A L E -Ce 19 122A 22 87,-2.5 89,-3.6 -2,-0.5 2,-0.8 -0.402 20.9-134.4 -66.3 135.1 38.8 40.9 7.5 35 31 A V E + e 0 123A 7 -17,-2.8 2,-0.5 87,-0.2 -17,-0.4 -0.827 32.0 175.3 -94.6 110.0 36.6 39.1 10.1 36 32 A D E > + e 0 124A 17 87,-2.3 89,-2.8 -2,-0.8 3,-1.0 -0.917 25.4 178.3-124.6 107.5 33.7 37.5 8.2 37 33 A T T 3 S+ 0 0 0 -2,-0.5 155,-0.4 1,-0.2 183,-0.2 0.432 82.8 69.1 -82.4 1.8 31.1 35.3 9.9 38 34 A G T 3 S+ 0 0 12 153,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.409 102.1 39.7 -98.6 1.2 29.5 34.9 6.5 39 35 A S < - 0 0 11 -3,-1.0 87,-3.0 84,-0.2 92,-0.1 -0.895 62.0-145.7-141.3 172.4 32.2 32.8 4.9 40 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.275 61.2 97.0-130.0 14.3 34.6 30.0 5.8 41 37 A N - 0 0 6 98,-0.1 83,-1.5 89,-0.1 2,-0.6 -0.849 56.6-145.9-108.6 143.1 37.9 30.4 4.0 42 38 A F E +F 123 0A 9 -2,-0.4 62,-2.2 81,-0.2 2,-0.3 -0.940 36.9 161.0-102.3 121.4 41.1 32.0 5.4 43 39 A A E -Fg 122 104A 0 79,-2.4 79,-3.0 -2,-0.6 2,-0.3 -0.999 20.5-169.3-146.6 145.5 42.8 33.7 2.5 44 40 A V E -Fg 121 105A 0 60,-2.4 62,-2.8 -2,-0.3 77,-0.3 -0.984 36.3 -99.0-136.7 146.1 45.4 36.4 2.0 45 41 A G E + g 0 106A 0 75,-3.5 11,-2.8 -2,-0.3 62,-0.2 -0.421 40.1 175.8 -59.5 134.1 46.7 38.5 -0.9 46 42 A A + 0 0 11 60,-2.9 12,-0.2 9,-0.2 -1,-0.1 0.086 56.4 45.0-131.4 21.6 49.9 36.8 -1.9 47 43 A A S S- 0 0 27 59,-0.3 -1,-0.1 7,-0.1 9,-0.1 -0.973 97.2 -71.3-160.6 152.7 50.9 38.8 -5.0 48 44 A P + 0 0 98 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.084 50.6 168.2 -49.4 143.0 51.1 42.5 -6.0 49 45 A H > - 0 0 52 3,-0.3 3,-2.8 -4,-0.1 59,-0.0 -0.927 43.9-118.4-159.1 133.9 47.9 44.4 -6.5 50 46 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.755 115.2 45.0 -44.8 -32.9 47.3 48.2 -6.9 51 47 A F T 3 S+ 0 0 74 64,-0.1 2,-0.5 62,-0.1 66,-0.4 0.330 94.0 95.0 -98.6 8.5 45.1 48.2 -3.7 52 48 A L < - 0 0 20 -3,-2.8 -3,-0.3 1,-0.1 3,-0.1 -0.886 49.2-170.5-104.9 122.7 47.4 46.1 -1.5 53 49 A H S S- 0 0 127 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.808 78.9 -6.5 -76.1 -30.6 49.9 47.8 0.8 54 50 A R - 0 0 98 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.974 67.5-161.5-157.5 163.7 51.5 44.5 1.5 55 51 A Y - 0 0 76 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.2 -0.958 32.7 -83.2-150.3 167.6 51.1 40.8 0.9 56 52 A Y - 0 0 1 -11,-2.8 2,-0.8 -2,-0.3 -31,-0.0 -0.597 32.9-158.4 -75.7 124.1 52.0 37.3 1.9 57 53 A Q > - 0 0 67 -2,-0.4 3,-1.5 1,-0.2 4,-0.4 -0.820 8.0-174.5-108.6 90.3 55.3 36.1 0.5 58 54 A R G > S+ 0 0 60 -2,-0.8 3,-1.5 1,-0.3 6,-0.3 0.818 79.9 60.6 -53.2 -39.4 55.2 32.3 0.6 59 55 A Q G 3 S+ 0 0 151 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.759 101.7 55.1 -63.9 -23.9 58.8 31.8 -0.5 60 56 A L G < S+ 0 0 90 -3,-1.5 2,-0.7 1,-0.1 -1,-0.3 0.528 92.5 84.0 -85.6 -6.7 60.0 33.7 2.5 61 57 A S X - 0 0 7 -3,-1.5 3,-0.9 -4,-0.4 -36,-0.1 -0.866 58.3-167.7-102.2 114.5 58.2 31.4 4.9 62 58 A S T 3 S+ 0 0 101 -36,-2.8 -1,-0.1 -2,-0.7 -4,-0.0 0.712 88.1 53.6 -71.0 -19.5 60.1 28.3 5.8 63 59 A T T 3 S+ 0 0 33 -37,-0.4 -1,-0.2 -36,-0.1 2,-0.1 0.478 80.2 116.0 -95.3 -2.0 57.0 26.7 7.3 64 60 A Y < - 0 0 36 -3,-0.9 2,-0.4 -6,-0.3 23,-0.2 -0.445 46.3-165.1 -69.2 137.6 54.7 27.1 4.3 65 61 A R E -H 86 0A 151 21,-2.5 21,-2.1 -2,-0.1 2,-0.4 -0.970 14.1-139.1-128.1 114.5 53.5 23.9 2.7 66 62 A D E -H 85 0A 73 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.586 5.1-160.0 -74.4 125.5 51.9 24.0 -0.7 67 63 A L E - 0 0 76 17,-2.0 18,-0.2 -2,-0.4 -1,-0.2 0.493 32.3-132.4 -82.0 -3.3 48.9 21.7 -0.9 68 64 A R E + 0 0 221 16,-0.6 2,-0.3 1,-0.2 17,-0.1 0.881 68.8 108.5 53.7 46.1 49.3 21.8 -4.7 69 65 A K E - 0 0 91 15,-0.5 15,-3.0 2,-0.0 -2,-0.2 -0.988 61.9-128.8-149.5 140.4 45.6 22.5 -5.3 70 66 A G E -H 83 0A 44 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.452 16.8-159.7 -89.6 164.6 43.9 25.7 -6.5 71 67 A V E -H 82 0A 9 11,-2.1 11,-2.5 -2,-0.1 2,-0.4 -0.997 5.4-168.0-145.8 140.8 40.9 27.4 -5.0 72 68 A Y E -H 81 0A 143 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.998 4.8-171.8-131.2 131.3 38.4 29.9 -6.4 73 69 A V E -H 80 0A 5 7,-2.4 7,-1.7 -2,-0.4 2,-0.5 -0.953 4.7-169.1-131.1 114.7 35.9 31.9 -4.3 74 70 A P E -H 79 0A 50 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.896 13.1-167.8-101.7 124.5 33.1 34.0 -5.7 75 71 A Y - 0 0 55 3,-3.0 3,-0.5 -2,-0.5 -36,-0.0 -0.598 42.5 -96.4-104.0 170.4 31.4 36.2 -3.1 76 72 A T S S+ 0 0 153 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.825 124.5 29.4 -54.3 -29.0 28.1 38.2 -3.5 77 73 A Q S S- 0 0 164 1,-0.1 -1,-0.3 35,-0.0 2,-0.1 -0.797 128.0 -19.3-136.9 93.1 30.5 41.0 -4.4 78 74 A G - 0 0 16 -3,-0.5 -3,-3.0 -2,-0.3 2,-0.3 -0.353 59.2-138.2 103.9 174.7 33.8 40.1 -6.0 79 75 A A E -HI 74 110A 10 31,-2.1 31,-3.3 -5,-0.2 2,-0.3 -0.982 8.9-162.6-167.4 162.5 35.9 37.0 -6.4 80 76 A W E -HI 73 109A 2 -7,-1.7 -7,-2.4 -2,-0.3 2,-0.4 -0.970 9.3-145.4-150.5 163.2 39.5 35.7 -6.3 81 77 A A E +HI 72 108A 34 27,-2.9 26,-2.0 -2,-0.3 27,-1.8 -0.968 31.4 142.6-130.7 146.5 41.6 32.8 -7.3 82 78 A G E -HI 71 106A 9 -11,-2.5 -11,-2.1 -2,-0.4 2,-0.4 -0.900 44.6 -82.1-161.8-168.6 44.6 31.4 -5.4 83 79 A E E -HI 70 105A 43 22,-1.9 22,-3.3 -2,-0.3 2,-0.2 -0.921 36.3-130.0-115.6 138.5 46.7 28.4 -4.3 84 80 A L E + I 0 104A 0 -15,-3.0 -17,-2.0 -2,-0.4 -16,-0.6 -0.591 43.8 129.6 -86.7 148.2 45.9 26.3 -1.2 85 81 A G E -HI 66 103A 0 18,-1.1 18,-2.8 -19,-0.3 2,-0.3 -0.936 44.5-110.3-172.8-174.5 48.6 25.5 1.4 86 82 A T E +HI 65 102A 18 -21,-2.1 -21,-2.5 -2,-0.3 2,-0.3 -0.962 31.8 160.2-135.5 155.0 49.1 25.5 5.1 87 83 A D E - I 0 101A 0 14,-1.6 14,-2.3 -2,-0.3 2,-0.3 -0.962 46.5 -77.3-161.2 170.9 51.3 27.6 7.4 88 84 A L E - I 0 100A 61 -2,-0.3 -63,-2.3 12,-0.2 2,-0.4 -0.589 48.5-169.8 -78.9 139.4 51.7 28.6 11.0 89 85 A V E +DI 24 99A 2 10,-3.0 10,-2.4 -2,-0.3 2,-0.3 -0.996 12.3 171.6-137.5 137.0 49.2 31.3 12.2 90 86 A S E -D 23 0A 30 -67,-2.4 -67,-3.1 -2,-0.4 8,-0.1 -0.932 26.9-140.4-136.7 157.5 48.9 33.4 15.3 91 87 A I > - 0 0 6 4,-0.6 3,-2.5 6,-0.5 6,-0.2 -0.928 13.7-158.9-121.4 99.5 46.7 36.4 16.3 92 88 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.818 95.0 35.3 -47.9 -38.2 49.0 38.7 18.3 93 89 A H T 3 S+ 0 0 89 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.074 118.7 61.6-109.3 32.0 46.0 40.4 20.0 94 90 A G S < S- 0 0 13 -3,-2.5 -87,-0.1 1,-0.3 74,-0.1 -0.315 103.0 -16.9-128.5-148.1 44.0 37.2 20.1 95 91 A P - 0 0 11 0, 0.0 2,-1.9 0, 0.0 -4,-0.6 -0.258 64.7-115.2 -62.8 148.9 44.5 33.8 21.8 96 92 A N S S+ 0 0 171 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.517 82.0 94.5 -85.5 70.1 48.0 32.9 23.1 97 93 A V - 0 0 40 -2,-1.9 -6,-0.5 -6,-0.2 2,-0.4 -0.935 60.1-143.3-149.9 168.0 48.4 30.0 20.7 98 94 A T - 0 0 84 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.993 23.3-178.5-138.2 130.4 49.8 29.2 17.2 99 95 A V E - I 0 89A 2 -10,-2.4 -10,-3.0 -2,-0.4 2,-0.8 -0.894 32.4-117.9-130.2 160.8 48.2 26.7 14.9 100 96 A R E + I 0 88A 52 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.885 47.5 177.4 -97.0 113.9 48.9 25.3 11.4 101 97 A A E - I 0 87A 1 -14,-2.3 -14,-1.6 -2,-0.8 2,-0.2 -0.808 36.1-101.1-120.2 159.6 45.9 26.4 9.3 102 98 A N E - I 0 86A 34 36,-0.5 2,-0.4 -2,-0.3 -16,-0.2 -0.514 43.5-173.6 -71.0 143.1 44.8 26.1 5.8 103 99 A I E - I 0 85A 0 -18,-2.8 -18,-1.1 -2,-0.2 2,-0.6 -0.981 19.6-145.4-146.2 129.8 45.5 29.3 3.9 104 100 A A E -gI 43 84A 2 -62,-2.2 -60,-2.4 -2,-0.4 2,-0.8 -0.851 14.9-146.1 -95.9 122.6 44.5 30.3 0.4 105 101 A A E -gI 44 83A 0 -22,-3.3 -22,-1.9 -2,-0.6 2,-0.5 -0.811 15.3-141.2 -91.4 108.9 47.2 32.5 -1.3 106 102 A I E +gI 45 82A 3 -62,-2.8 -60,-2.9 -2,-0.8 -59,-0.3 -0.588 32.8 162.9 -74.6 117.7 45.3 35.0 -3.5 107 103 A T E + 0 0 53 -26,-2.0 2,-0.3 -2,-0.5 -25,-0.2 0.646 68.2 20.6-107.1 -22.2 47.2 35.5 -6.7 108 104 A E E + I 0 81A 142 -27,-1.8 -27,-2.9 2,-0.0 -1,-0.3 -0.989 69.4 172.2-146.2 144.9 44.4 37.1 -8.9 109 105 A S E - I 0 80A 30 -2,-0.3 2,-0.4 -29,-0.3 -29,-0.3 -0.989 23.3-144.3-154.2 160.8 41.2 38.8 -7.9 110 106 A D E S- I 0 79A 97 -31,-3.3 -31,-2.1 -2,-0.3 -2,-0.0 -0.972 82.8 -22.5-133.4 116.4 38.3 40.8 -9.2 111 107 A K S S+ 0 0 168 -2,-0.4 -1,-0.1 -33,-0.2 3,-0.1 0.877 105.7 111.3 52.4 42.3 36.7 43.7 -7.2 112 108 A F + 0 0 17 1,-0.2 2,-0.2 -34,-0.1 -1,-0.1 0.800 60.0 55.4-105.5 -67.9 38.1 42.2 -4.0 113 109 A F S S- 0 0 9 7,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.502 79.0-143.0 -71.9 135.7 40.7 44.5 -2.7 114 110 A I > - 0 0 66 -2,-0.2 3,-1.1 5,-0.2 2,-0.7 -0.757 23.7 -99.3-103.5 148.0 39.5 48.1 -2.2 115 111 A N T 3 S- 0 0 118 -2,-0.3 -64,-0.1 1,-0.3 -63,-0.1 -0.504 107.7 -5.7 -66.0 108.7 41.4 51.3 -2.8 116 112 A G T 3 S+ 0 0 31 -2,-0.7 -1,-0.3 -65,-0.3 -64,-0.1 0.941 89.6 129.8 71.9 50.8 42.6 52.3 0.7 117 113 A S < - 0 0 1 -3,-1.1 -2,-0.1 -66,-0.4 3,-0.1 0.703 57.5-141.6-102.0 -29.1 40.8 49.7 2.8 118 114 A N + 0 0 54 -4,-0.3 2,-0.3 -67,-0.3 -86,-0.2 0.339 63.1 109.0 82.7 -3.4 43.9 48.7 4.8 119 115 A W - 0 0 10 -5,-0.1 -1,-0.3 1,-0.1 -86,-0.2 -0.765 43.1-173.7-103.6 153.0 43.1 44.9 4.9 120 116 A E + 0 0 2 -88,-3.5 -75,-3.5 -2,-0.3 2,-0.3 0.310 64.5 8.4-126.2 6.2 44.9 42.3 2.9 121 117 A G E -eF 33 44A 0 -89,-1.0 -87,-2.5 -77,-0.3 2,-0.3 -0.939 65.6-112.8-166.3-173.5 43.0 39.1 3.5 122 118 A I E -eF 34 43A 8 -79,-3.0 -79,-2.4 -2,-0.3 2,-0.6 -0.998 8.0-151.8-142.0 142.7 39.8 37.5 5.0 123 119 A L E -eF 35 42A 1 -89,-3.6 -87,-2.3 -2,-0.3 2,-0.7 -0.922 15.2-153.7-116.5 103.2 39.1 35.2 7.9 124 120 A G E +e 36 0A 1 -83,-1.5 17,-0.4 -2,-0.6 16,-0.4 -0.683 14.6 179.7 -80.1 117.7 36.0 33.1 7.3 125 121 A L + 0 0 3 -89,-2.8 -85,-0.2 -2,-0.7 -88,-0.2 0.406 48.2 98.1 -99.1 0.9 34.5 32.2 10.6 126 122 A A S S- 0 0 0 -87,-3.0 15,-0.2 -90,-0.5 65,-0.2 -0.071 81.4 -71.2 -77.2-174.5 31.5 30.2 9.4 127 123 A Y > - 0 0 15 63,-2.4 3,-1.4 -90,-0.1 -1,-0.2 -0.281 37.2-106.5 -84.5 165.8 31.4 26.4 9.1 128 124 A A G > S+ 0 0 26 1,-0.3 3,-2.3 2,-0.2 9,-0.2 0.767 105.3 78.8 -57.9 -31.1 33.1 23.9 6.8 129 125 A E G 3 S+ 0 0 100 60,-0.4 -1,-0.3 1,-0.3 6,-0.2 0.801 101.8 37.7 -51.5 -32.9 29.9 23.1 4.9 130 126 A I G < S+ 0 0 33 -3,-1.4 -90,-0.4 60,-0.2 -1,-0.3 0.225 91.1 117.6-106.2 16.2 30.3 26.4 2.9 131 127 A A < - 0 0 5 -3,-2.3 5,-0.1 -91,-0.1 6,-0.1 -0.454 64.1 -92.9 -79.6 155.5 34.1 26.3 2.5 132 128 A R S S+ 0 0 116 1,-0.2 -59,-0.1 -2,-0.1 -2,-0.1 -0.893 104.2 17.8-113.9 147.6 35.7 26.1 -1.0 133 129 A P S S- 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.941 133.8 -54.1 -64.0 -29.8 36.7 24.0 -2.8 134 130 A D > - 0 0 67 -2,-0.0 3,-1.8 -4,-0.0 -4,-0.1 -0.926 62.2 -71.8-159.9-177.4 34.5 21.9 -0.5 135 131 A D T 3 S+ 0 0 105 1,-0.3 -6,-0.1 -2,-0.3 -3,-0.1 0.443 113.0 77.7 -69.3 1.6 33.8 21.0 3.2 136 132 A S T 3 S+ 0 0 80 -5,-0.1 2,-1.2 1,-0.1 -1,-0.3 0.679 72.3 89.3 -83.0 -17.3 37.0 19.0 3.4 137 133 A L S < S- 0 0 14 -3,-1.8 -1,-0.1 -9,-0.2 -6,-0.1 -0.687 83.7-135.5 -84.4 97.9 39.0 22.2 3.7 138 134 A E - 0 0 51 -2,-1.2 -36,-0.5 1,-0.1 -2,-0.1 -0.292 18.2-126.7 -56.2 121.9 39.0 22.7 7.5 139 135 A P > - 0 0 5 0, 0.0 4,-1.9 0, 0.0 3,-0.2 -0.223 24.8-103.9 -67.7 162.3 38.2 26.4 8.4 140 136 A F H > S+ 0 0 9 -16,-0.4 4,-2.6 1,-0.2 5,-0.1 0.908 117.7 49.4 -53.9 -50.8 40.5 28.4 10.6 141 137 A F H > S+ 0 0 2 -17,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.862 108.2 54.6 -62.7 -34.4 38.4 28.3 13.8 142 138 A D H > S+ 0 0 33 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 109.6 47.4 -64.2 -40.7 38.0 24.5 13.5 143 139 A S H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.927 110.3 53.9 -64.5 -43.7 41.7 24.1 13.3 144 140 A L H X S+ 0 0 1 -4,-2.6 4,-1.3 1,-0.2 6,-0.4 0.921 111.8 42.8 -55.5 -48.7 42.1 26.4 16.4 145 141 A V H < S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 116.5 47.6 -68.9 -36.3 39.7 24.3 18.5 146 142 A K H < S+ 0 0 139 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.859 117.7 40.3 -73.9 -35.5 41.1 21.0 17.4 147 143 A Q H < S+ 0 0 96 -4,-2.7 2,-0.2 -5,-0.2 -2,-0.2 0.618 120.5 32.5 -90.0 -13.9 44.8 21.9 17.9 148 144 A T S < S- 0 0 27 -4,-1.3 -51,-0.0 -5,-0.2 -49,-0.0 -0.790 78.0-111.8-135.3 177.4 44.4 23.9 21.2 149 145 A H + 0 0 195 -2,-0.2 -4,-0.1 2,-0.0 3,-0.1 0.333 68.0 132.5 -94.0 7.9 42.4 24.1 24.4 150 146 A V - 0 0 19 -6,-0.4 -2,-0.2 1,-0.1 20,-0.1 -0.416 67.1-106.7 -61.1 124.4 40.8 27.4 23.4 151 147 A P - 0 0 77 0, 0.0 2,-2.5 0, 0.0 19,-0.2 -0.177 30.1-106.2 -54.5 145.2 37.1 27.1 24.0 152 148 A N S S+ 0 0 47 18,-0.1 189,-2.1 -7,-0.1 2,-0.3 -0.407 88.5 85.7 -75.5 69.8 34.8 26.7 21.0 153 149 A L - 0 0 20 -2,-2.5 17,-3.3 187,-0.2 2,-0.3 -0.959 45.7-179.7-167.0 145.1 33.4 30.2 21.1 154 150 A F E -JK 169 338A 0 184,-1.4 184,-2.9 -2,-0.3 2,-0.3 -0.968 11.9-153.1-144.5 157.3 34.2 33.8 20.0 155 151 A S E -JK 168 337A 0 13,-2.6 13,-2.4 -2,-0.3 2,-0.4 -0.978 4.1-149.6-135.7 149.9 32.4 37.1 20.5 156 152 A L E -JK 167 336A 0 180,-2.8 180,-2.8 -2,-0.3 2,-0.6 -0.978 11.3-175.4-125.8 129.7 32.3 40.3 18.4 157 153 A Q E -JK 166 335A 14 9,-2.8 9,-2.4 -2,-0.4 2,-0.7 -0.925 15.0-173.0-119.5 98.1 31.8 43.8 19.6 158 154 A L E -J 165 0A 3 176,-0.7 2,-0.5 -2,-0.6 7,-0.2 -0.861 6.4-160.3 -96.7 115.0 31.6 45.9 16.4 159 155 A a E -J 164 0A 22 5,-2.1 5,-0.9 -2,-0.7 194,-0.1 -0.833 6.5-150.5 -99.0 129.1 31.6 49.6 17.3 160 156 A G 0 0 15 -2,-0.5 4,-0.2 172,-0.4 -1,-0.1 0.007 360.0 360.0 -81.0-167.2 30.3 52.0 14.6 161 157 A A 0 0 106 2,-0.1 139,-0.0 -147,-0.1 -1,-0.0 0.969 360.0 360.0 -71.5 360.0 31.3 55.7 14.0 162 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 163 170 A V 0 0 50 0, 0.0 -151,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 153.5 35.9 52.4 13.2 164 171 A G E +BJ 11 159A 10 -5,-0.9 -5,-2.1 -4,-0.2 2,-0.3 -0.891 360.0 150.4-149.3 179.5 36.9 49.9 15.8 165 172 A G E -BJ 10 158A 1 -155,-1.4 -155,-2.3 -2,-0.3 2,-0.4 -0.985 34.6 -90.7 174.2-169.9 35.8 46.9 17.9 166 173 A S E - J 0 157A 1 -9,-2.4 -9,-2.8 -2,-0.3 2,-0.6 -0.994 11.6-163.8-137.2 139.6 36.8 43.7 19.7 167 174 A M E - J 0 156A 0 -161,-0.7 2,-0.6 -2,-0.4 -11,-0.2 -0.963 16.5-164.2-119.0 108.2 36.9 40.0 18.8 168 175 A I E - J 0 155A 0 -13,-2.4 -13,-2.6 -2,-0.6 2,-0.5 -0.858 6.5-159.6 -96.9 120.9 37.2 38.0 22.0 169 176 A I E + J 0 154A 6 -2,-0.6 -15,-0.2 -15,-0.2 3,-0.1 -0.885 69.2 9.2-107.3 125.8 38.3 34.4 21.2 170 177 A G S S+ 0 0 12 -17,-3.3 2,-0.3 -2,-0.5 -16,-0.2 0.488 124.2 19.4 91.7 3.7 37.6 31.6 23.6 171 178 A G S S- 0 0 12 -18,-0.3 2,-0.4 -3,-0.3 -1,-0.2 -0.985 77.4 -85.6-176.2-173.3 35.4 33.5 26.0 172 179 A I - 0 0 38 -2,-0.3 2,-0.7 -3,-0.1 -169,-0.1 -0.964 25.6-148.6-120.2 132.3 33.1 36.4 26.9 173 180 A D > - 0 0 8 -2,-0.4 3,-2.0 1,-0.1 4,-0.2 -0.887 4.3-160.0-105.5 107.1 34.3 39.8 28.2 174 181 A H G > S+ 0 0 131 -2,-0.7 3,-0.7 1,-0.3 -1,-0.1 0.606 86.0 67.7 -61.6 -13.9 31.7 41.2 30.5 175 182 A S G 3 S+ 0 0 78 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.629 90.0 66.1 -82.0 -11.3 33.1 44.8 30.1 176 183 A L G < S+ 0 0 6 -3,-2.0 175,-2.3 174,-0.1 176,-0.4 0.471 106.3 33.1 -88.9 -2.2 31.9 44.8 26.5 177 184 A Y E < -L 350 0A 33 -3,-0.7 2,-0.3 173,-0.3 173,-0.2 -0.965 60.5-146.0-149.3 166.2 28.2 44.7 27.3 178 185 A T E +L 349 0A 76 171,-2.2 171,-0.7 -2,-0.3 157,-0.1 -0.899 65.7 13.9-128.4 157.9 25.5 45.7 29.8 179 186 A G E S- 0 0 66 -2,-0.3 2,-0.2 169,-0.1 -2,-0.1 -0.310 102.8 -34.3 75.2-161.5 22.3 43.9 30.8 180 187 A S E - 0 0 84 183,-0.2 2,-0.5 -2,-0.0 169,-0.3 -0.578 52.1-118.8 -98.6 160.3 21.7 40.2 30.0 181 188 A L E - 0 0 31 -2,-0.2 2,-0.5 167,-0.1 167,-0.2 -0.844 25.7-158.6 -96.3 129.2 22.8 38.0 27.1 182 189 A W E -L 347 0A 58 165,-2.7 165,-2.3 -2,-0.5 2,-0.4 -0.943 9.7-147.7-111.3 128.7 19.8 36.5 25.2 183 190 A Y E -L 346 0A 34 -2,-0.5 100,-0.3 163,-0.2 163,-0.2 -0.780 13.7-171.3-105.4 141.3 20.4 33.4 23.1 184 191 A T E -L 345 0A 0 161,-2.5 161,-2.8 -2,-0.4 98,-0.2 -0.928 35.8-102.6-120.1 145.3 18.9 32.3 19.8 185 192 A P E -L 344 0A 38 0, 0.0 2,-0.9 0, 0.0 10,-0.3 -0.373 20.8-125.3 -69.7 144.9 19.6 28.8 18.4 186 193 A I - 0 0 11 157,-2.4 8,-0.2 1,-0.2 3,-0.1 -0.841 25.9-159.2 -87.0 110.1 22.0 28.2 15.5 187 194 A R + 0 0 80 6,-2.6 2,-0.3 -2,-0.9 -1,-0.2 0.902 68.5 0.9 -59.4 -47.6 19.5 26.3 13.2 188 195 A R S >S- 0 0 105 5,-0.4 2,-1.4 3,-0.2 5,-1.0 -0.996 72.2-118.8-145.2 146.0 22.2 24.7 11.1 189 196 A E B 5S+N 192 0B 70 -2,-0.3 -60,-0.4 1,-0.1 3,-0.1 -0.644 88.8 75.4 -90.2 83.4 26.0 24.7 11.1 190 197 A W T 5S+ 0 0 37 1,-1.9 -63,-2.4 -2,-1.4 -60,-0.2 0.132 108.7 7.3-144.3 -78.7 27.0 26.2 7.7 191 198 A Y T 5S- 0 0 61 -65,-0.2 -1,-1.9 -3,-0.1 2,-1.7 -0.442 103.1 -88.7 -92.6 178.9 26.3 29.9 7.9 192 199 A Y B 5 -N 189 0B 1 -155,-0.4 28,-1.5 28,-0.4 2,-0.3 -0.657 62.5-169.6 -90.3 80.6 25.4 31.1 11.3 193 200 A E E < +O 219 0C 2 -2,-1.7 -6,-2.6 -5,-1.0 -5,-0.4 -0.577 13.2 166.6 -80.1 132.1 21.7 30.5 10.6 194 201 A V E -O 218 0C 0 24,-2.2 24,-0.7 -2,-0.3 2,-0.5 -0.766 31.6-114.5-132.4 175.6 19.0 31.8 13.0 195 202 A I - 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