==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-FEB-10 3LPK . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.STRICKLAND,J.CUMMING . 779 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 530 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 222 28.5 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 . 89 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 8.5 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 8 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 . 5 7 4 6 6 8 1 1 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 58 A G 0 0 57 0, 0.0 3,-0.3 0, 0.0 183,-0.1 0.000 360.0 360.0 360.0 100.3 36.8 -15.3 29.0 2 59 A S + 0 0 92 181,-0.2 3,-0.1 1,-0.2 182,-0.1 0.347 360.0 53.5-106.3 4.2 33.7 -17.3 28.0 3 60 A F >> + 0 0 60 1,-0.1 3,-2.1 2,-0.0 4,-1.1 -0.317 57.3 154.8-134.5 52.7 32.7 -15.2 25.0 4 61 A V T 34 + 0 0 116 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.750 69.1 66.0 -51.3 -30.1 35.8 -14.9 22.9 5 62 A E T 34 S+ 0 0 94 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.782 109.7 36.0 -66.7 -25.9 33.7 -14.3 19.8 6 63 A M T X4 S+ 0 0 10 -3,-2.1 3,-1.3 171,-0.0 172,-0.7 0.582 88.4 112.1-103.5 -12.7 32.5 -11.0 21.1 7 64 A V T 3< S+ 0 0 36 -4,-1.1 170,-0.1 1,-0.3 169,-0.0 -0.382 89.0 9.5 -62.4 137.0 35.7 -9.8 22.9 8 65 A D T 3 S+ 0 0 88 149,-0.1 -1,-0.3 1,-0.1 169,-0.2 0.783 84.7 134.4 63.5 31.6 37.3 -6.8 21.2 9 66 A N < + 0 0 17 -3,-1.3 12,-0.5 84,-0.1 2,-0.3 0.358 49.3 84.7 -92.4 7.8 34.3 -6.2 18.9 10 67 A L E -AB 20 176A 0 166,-2.4 165,-3.1 10,-0.1 166,-1.0 -0.805 50.1-179.9-112.1 153.3 34.2 -2.5 19.5 11 68 A R E +A 19 0A 73 8,-1.7 8,-2.8 -2,-0.3 2,-0.3 -0.920 37.6 61.6-140.4 163.1 36.0 0.5 17.9 12 69 A G E -A 18 0A 8 158,-0.5 2,-0.3 -2,-0.3 6,-0.2 -0.810 63.0-102.2 121.4-160.9 35.9 4.2 18.5 13 70 A K E >> -A 17 0A 62 4,-1.3 4,-2.6 -2,-0.3 3,-1.3 -0.980 33.8 -91.4-163.4 162.4 36.7 6.6 21.3 14 71 A S T 34 S+ 0 0 10 -2,-0.3 325,-0.2 1,-0.3 326,-0.1 0.836 118.5 52.3 -48.5 -44.5 34.9 8.8 24.0 15 72 A G T 34 S+ 0 0 28 1,-0.2 -1,-0.3 2,-0.1 221,-0.1 0.722 125.2 23.2 -69.8 -22.8 34.7 11.9 21.9 16 73 A Q T <4 S- 0 0 51 -3,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.459 114.4-107.9-120.5 -5.8 33.1 10.3 18.9 17 74 A G E < -A 13 0A 9 -4,-2.6 -4,-1.3 17,-0.1 2,-0.4 -0.013 26.0 -88.7 97.1 156.6 31.4 7.2 20.4 18 75 A Y E -A 12 0A 4 17,-0.3 17,-3.2 215,-0.3 2,-0.3 -0.868 44.0-169.2-105.2 138.5 32.0 3.5 20.4 19 76 A Y E -AC 11 34A 4 -8,-2.8 -8,-1.7 -2,-0.4 2,-0.3 -0.908 15.3-152.3-132.3 157.2 30.4 1.3 17.7 20 77 A V E -AC 10 33A 1 13,-2.5 13,-3.2 -2,-0.3 2,-0.3 -0.892 30.0-109.7-122.4 151.1 29.8 -2.3 16.8 21 78 A E E + C 0 32A 56 -12,-0.5 72,-0.4 -2,-0.3 2,-0.3 -0.639 42.4 167.9 -84.3 140.1 29.4 -3.8 13.4 22 79 A M E - C 0 31A 1 9,-2.7 9,-2.7 -2,-0.3 2,-0.4 -0.911 24.6-138.2-141.2 166.7 26.0 -5.1 12.4 23 80 A T E -DC 90 30A 17 67,-2.3 67,-1.9 -2,-0.3 2,-0.4 -0.975 14.8-168.8-129.4 145.8 24.3 -6.2 9.2 24 81 A V E > +DC 89 29A 1 5,-2.0 5,-2.2 -2,-0.4 65,-0.2 -0.991 46.1 7.4-134.0 142.4 20.7 -5.3 8.1 25 82 A G T 5S- 0 0 6 63,-1.9 4,-0.1 -2,-0.4 36,-0.1 -0.080 87.9 -47.1 85.9 176.3 18.7 -6.8 5.2 26 83 A S T 5S+ 0 0 31 1,-0.2 36,-2.7 2,-0.1 37,-0.3 -0.979 130.9 31.3-135.7 115.9 19.0 -9.7 2.8 27 84 A P T 5S- 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.596 121.8-102.5 -66.9 159.5 21.5 -9.9 1.4 28 85 A P T 5 - 0 0 91 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.261 30.2-154.4 -58.6 131.4 23.2 -8.5 4.5 29 86 A Q E < -C 24 0A 32 -5,-2.2 -5,-2.0 -4,-0.1 2,-0.3 -0.945 16.8-136.7-107.6 116.5 24.3 -4.8 4.4 30 87 A T E +C 23 0A 52 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.552 31.3 164.5 -78.8 135.1 27.1 -4.1 6.7 31 88 A L E -C 22 0A 4 -9,-2.7 -9,-2.7 -2,-0.3 2,-0.5 -0.989 36.1-122.0-147.0 151.5 27.1 -0.9 8.8 32 89 A N E -C 21 0A 4 -2,-0.3 88,-3.1 -11,-0.2 89,-0.8 -0.854 32.4-158.5 -96.9 129.6 28.9 0.4 11.9 33 90 A I E -Ce 20 121A 0 -13,-3.2 -13,-2.5 -2,-0.5 89,-0.2 -0.934 16.0-125.0-121.3 126.2 26.5 1.2 14.7 34 91 A L E -Ce 19 122A 14 87,-3.0 89,-3.3 -2,-0.5 2,-0.8 -0.397 26.1-130.5 -62.5 129.0 27.0 3.6 17.7 35 92 A V E + e 0 123A 1 -17,-3.2 2,-0.5 87,-0.2 -17,-0.3 -0.753 33.6 177.1 -86.5 111.3 26.4 1.7 21.0 36 93 A D E > + e 0 124A 9 87,-2.1 89,-2.6 -2,-0.8 3,-1.0 -0.867 25.1 173.0-123.9 100.3 24.0 4.0 23.0 37 94 A T T 3 S+ 0 0 1 -2,-0.5 166,-0.4 1,-0.2 194,-0.2 0.460 79.2 72.0 -80.4 2.6 22.7 2.9 26.4 38 95 A G T 3 S+ 0 0 13 164,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.341 101.4 30.9 -99.5 4.7 21.1 6.4 26.7 39 96 A S < - 0 0 12 -3,-1.0 87,-2.9 84,-0.2 92,-0.1 -0.905 65.1-138.2-148.6 175.9 18.3 6.0 24.1 40 97 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.257 63.0 99.8-130.3 15.8 16.1 3.2 22.8 41 98 A N - 0 0 6 98,-0.1 83,-1.5 89,-0.1 2,-0.6 -0.865 55.7-147.1-107.4 139.6 15.8 3.5 19.0 42 99 A F E +F 123 0A 9 -2,-0.4 62,-1.9 81,-0.2 2,-0.3 -0.913 36.6 160.9 -99.7 119.0 17.7 1.5 16.4 43 100 A A E -Fg 122 104A 0 79,-2.3 79,-2.9 -2,-0.6 2,-0.3 -1.000 19.8-169.4-145.6 144.5 18.2 3.8 13.5 44 101 A V E -Fg 121 105A 0 60,-2.3 62,-3.0 -2,-0.3 77,-0.3 -0.961 36.4 -96.2-135.3 150.3 20.5 3.9 10.5 45 102 A G E + g 0 106A 1 75,-3.0 11,-2.7 -2,-0.3 62,-0.2 -0.419 40.0 175.2 -59.2 134.6 21.4 6.4 7.7 46 103 A A + 0 0 10 60,-2.7 12,-0.2 9,-0.2 -1,-0.1 0.071 58.9 42.5-132.2 22.0 19.2 5.4 4.7 47 104 A A S S- 0 0 28 59,-0.2 -1,-0.1 7,-0.1 7,-0.1 -0.965 99.4 -69.6-161.5 154.8 20.1 8.2 2.3 48 105 A P + 0 0 101 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.154 51.3 170.3 -52.7 140.0 23.3 10.0 1.2 49 106 A H > - 0 0 49 3,-0.4 3,-2.3 -4,-0.1 5,-0.1 -0.973 43.1-116.8-152.9 140.1 24.9 12.4 3.7 50 107 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.770 115.2 45.7 -46.5 -35.9 28.3 14.2 3.6 51 108 A F T 3 S+ 0 0 93 64,-0.1 2,-0.4 -3,-0.0 65,-0.3 0.386 101.0 79.4 -94.7 3.9 29.6 12.3 6.6 52 109 A L < - 0 0 20 -3,-2.3 -3,-0.4 1,-0.1 3,-0.1 -0.922 47.2-176.8-113.1 135.3 28.4 8.8 5.5 53 110 A H S S+ 0 0 136 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.294 79.7 19.6-109.2 7.6 30.3 6.7 3.0 54 111 A R + 0 0 74 -5,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.960 66.4 177.0-166.4 155.5 27.6 4.0 3.1 55 112 A Y - 0 0 67 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.984 40.4 -74.6-159.8 166.1 24.0 3.6 4.2 56 113 A Y - 0 0 2 -11,-2.7 2,-0.7 -2,-0.3 -31,-0.1 -0.520 36.5-162.3 -70.1 122.7 21.0 1.3 4.4 57 114 A Q > - 0 0 69 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 -0.848 5.5-173.3-111.9 93.9 19.4 0.7 1.0 58 115 A R G > S+ 0 0 44 -2,-0.7 3,-1.7 1,-0.3 6,-0.3 0.794 79.6 63.7 -55.4 -36.2 15.9 -0.7 1.6 59 116 A Q G 3 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.611 100.8 54.4 -68.4 -11.0 15.1 -1.4 -2.0 60 117 A L G < S+ 0 0 92 -3,-1.8 2,-0.6 -33,-0.0 -1,-0.3 0.377 91.0 86.6-101.7 1.4 18.0 -3.9 -2.1 61 118 A S X - 0 0 10 -3,-1.7 3,-0.9 -4,-0.2 -36,-0.1 -0.914 57.5-164.4-107.4 120.5 16.7 -5.9 0.8 62 119 A S T 3 S+ 0 0 105 -36,-2.7 -1,-0.1 -2,-0.6 -4,-0.0 0.696 92.0 51.8 -73.0 -19.2 14.2 -8.7 0.0 63 120 A T T 3 S+ 0 0 30 -37,-0.3 -1,-0.2 25,-0.1 2,-0.1 0.385 79.1 124.0 -99.1 2.8 13.2 -8.9 3.7 64 121 A Y < - 0 0 54 -3,-0.9 2,-0.5 -6,-0.3 23,-0.2 -0.422 42.1-165.1 -65.5 134.0 12.6 -5.2 4.2 65 122 A R E -H 86 0A 147 21,-2.6 21,-2.3 -2,-0.1 2,-0.5 -0.990 12.1-139.9-125.8 124.7 9.0 -4.4 5.5 66 123 A D E -H 85 0A 81 -2,-0.5 19,-0.2 19,-0.2 18,-0.0 -0.711 9.8-166.7 -86.8 125.9 7.6 -0.9 5.4 67 124 A L E - 0 0 78 17,-1.9 18,-0.2 -2,-0.5 -1,-0.1 0.381 33.9-131.9 -90.7 3.5 5.6 0.2 8.4 68 125 A R E + 0 0 228 16,-0.4 2,-0.3 1,-0.1 17,-0.1 0.902 67.5 110.9 46.1 55.4 4.3 3.2 6.5 69 126 A K E - 0 0 102 15,-0.5 15,-3.0 2,-0.0 2,-0.2 -0.944 54.2-147.0-159.3 132.7 5.1 5.6 9.3 70 127 A G E -H 83 0A 53 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.580 14.6-163.6 -96.8 162.8 7.5 8.5 9.8 71 128 A V E -H 82 0A 14 11,-2.2 11,-2.3 -2,-0.2 2,-0.5 -0.992 13.2-148.6-150.3 140.6 9.2 9.5 13.1 72 129 A Y E -H 81 0A 112 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.944 18.3-176.5-111.3 120.7 11.0 12.5 14.4 73 130 A V E -H 80 0A 5 7,-2.5 7,-1.8 -2,-0.5 2,-0.3 -0.892 1.3-178.0-125.4 104.7 13.7 11.9 17.0 74 131 A P E -H 79 0A 60 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.760 1.7-174.3-100.1 145.4 15.6 14.7 18.6 75 132 A Y - 0 0 61 3,-3.3 -36,-0.0 -2,-0.3 -2,-0.0 -0.705 44.2 -98.8-122.5 177.9 18.4 14.2 21.2 76 133 A T S S+ 0 0 124 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.947 124.0 41.8 -64.0 -44.9 20.3 16.9 23.2 77 134 A Q S S- 0 0 142 1,-0.1 2,-0.2 -3,-0.0 -1,-0.2 0.928 129.1 -42.5 -67.2 -53.2 23.1 16.7 20.7 78 135 A G - 0 0 10 34,-0.0 -3,-3.3 -5,-0.0 2,-0.3 -0.823 55.4-123.0-158.9-162.5 21.2 16.5 17.4 79 136 A K E -HI 74 110A 78 31,-2.3 31,-3.0 -5,-0.3 2,-0.3 -0.977 10.1-163.4-156.0 166.2 18.3 15.0 15.6 80 137 A W E -HI 73 109A 2 -7,-1.8 -7,-2.5 -2,-0.3 2,-0.4 -0.966 11.8-144.4-149.1 161.7 17.1 12.9 12.7 81 138 A E E +HI 72 108A 81 27,-3.1 26,-2.2 -2,-0.3 27,-1.7 -0.980 31.9 162.3-126.9 140.9 13.9 12.1 10.8 82 139 A G E -HI 71 106A 4 -11,-2.3 -11,-2.2 -2,-0.4 2,-0.5 -0.936 38.8-105.2-153.2 176.9 13.2 8.7 9.4 83 140 A E E -HI 70 105A 81 22,-2.1 22,-3.2 -2,-0.3 -13,-0.2 -0.929 36.8-130.1-111.6 128.3 10.9 6.1 8.1 84 141 A L E + I 0 104A 2 -15,-3.0 -17,-1.9 -2,-0.5 -15,-0.5 -0.513 44.3 129.0 -80.4 145.2 9.9 3.1 10.2 85 142 A G E -HI 66 103A 2 18,-1.3 18,-2.8 -19,-0.2 2,-0.3 -0.922 44.0-112.6-170.4-173.7 10.1 -0.5 9.0 86 143 A T E +HI 65 102A 16 -21,-2.3 -21,-2.6 -2,-0.3 2,-0.3 -0.941 31.3 159.3-136.6 159.9 11.5 -3.9 10.0 87 144 A D E - I 0 101A 0 14,-1.5 14,-2.2 -2,-0.3 2,-0.4 -0.960 47.5 -75.7-167.1 170.4 14.2 -6.1 8.6 88 145 A L E - I 0 100A 51 -2,-0.3 -63,-1.9 12,-0.2 2,-0.4 -0.651 49.3-168.7 -81.8 133.1 16.5 -9.0 9.6 89 146 A V E +DI 24 99A 1 10,-3.3 10,-2.5 -2,-0.4 2,-0.3 -0.956 10.4 175.3-127.6 142.6 19.5 -7.9 11.7 90 147 A S E -DI 23 98A 29 -67,-1.9 -67,-2.3 -2,-0.4 8,-0.1 -0.930 26.3-138.7-139.6 161.9 22.7 -9.7 12.8 91 148 A I > - 0 0 7 6,-0.5 3,-1.3 4,-0.5 -69,-0.2 -0.928 13.8-157.1-125.1 100.3 25.8 -8.8 14.8 92 149 A P T 3 S+ 0 0 45 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.877 94.7 37.9 -43.4 -50.6 28.8 -10.5 13.0 93 150 A H T 3 S+ 0 0 95 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.429 115.8 63.9-103.2 58.0 30.9 -10.4 16.1 94 151 A G S < S- 0 0 0 -3,-1.3 -87,-0.1 -2,-0.6 85,-0.1 -0.624 101.0 -23.9-148.7-152.2 28.1 -11.2 18.5 95 152 A P - 0 0 19 0, 0.0 2,-1.7 0, 0.0 -4,-0.5 -0.357 66.4-114.2 -66.2 152.2 25.6 -14.0 19.2 96 153 A N S S+ 0 0 124 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.492 78.8 104.6 -90.0 68.8 25.1 -16.2 16.2 97 154 A V - 0 0 46 -2,-1.7 -6,-0.5 -6,-0.2 2,-0.4 -0.926 57.7-142.2-141.0 163.3 21.5 -15.3 15.7 98 155 A T E - I 0 90A 83 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.997 22.0-173.3-129.8 132.8 19.4 -13.2 13.3 99 156 A V E - I 0 89A 2 -10,-2.5 -10,-3.3 -2,-0.4 2,-0.7 -0.934 27.2-124.6-130.5 152.7 16.4 -11.2 14.5 100 157 A R E + I 0 88A 50 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.854 45.8 168.3 -94.3 120.3 13.7 -9.2 12.9 101 158 A A E - I 0 87A 3 -14,-2.2 -14,-1.5 -2,-0.7 2,-0.1 -0.886 39.9 -93.6-132.9 162.9 13.8 -5.8 14.5 102 159 A N E - I 0 86A 31 36,-0.5 2,-0.4 -2,-0.3 -16,-0.3 -0.476 41.0-170.0 -71.8 143.7 12.4 -2.3 14.0 103 160 A I E - I 0 85A 2 -18,-2.8 -18,-1.3 -2,-0.1 2,-0.7 -0.989 17.9-148.2-140.9 128.6 14.6 0.0 12.0 104 161 A A E -gI 43 84A 1 -62,-1.9 -60,-2.3 -2,-0.4 2,-0.9 -0.875 17.7-146.6 -96.4 117.0 14.3 3.8 11.6 105 162 A A E -gI 44 83A 1 -22,-3.2 -22,-2.1 -2,-0.7 2,-0.4 -0.776 16.6-137.5 -87.9 106.0 15.6 4.6 8.1 106 163 A I E +gI 45 82A 4 -62,-3.0 -60,-2.7 -2,-0.9 -24,-0.3 -0.517 35.3 163.3 -70.4 118.3 17.2 8.1 8.5 107 164 A T E + 0 0 45 -26,-2.2 2,-0.3 -2,-0.4 -25,-0.2 0.603 69.3 21.8-107.0 -22.1 16.3 10.3 5.6 108 165 A E E + I 0 81A 121 -27,-1.7 -27,-3.1 2,-0.0 -1,-0.3 -0.994 67.0 169.5-148.0 142.8 17.2 13.7 7.2 109 166 A S E - I 0 80A 34 -2,-0.3 2,-0.4 -29,-0.3 -29,-0.3 -0.992 19.9-153.8-153.8 157.8 19.4 14.7 10.1 110 167 A D E S- I 0 79A 80 -31,-3.0 -31,-2.3 -2,-0.3 -2,-0.0 -0.958 80.6 -21.7-139.7 116.5 20.9 17.7 11.8 111 168 A K S S+ 0 0 150 -2,-0.4 -31,-0.1 -33,-0.2 3,-0.0 0.774 106.8 108.0 56.6 29.4 24.1 17.5 13.8 112 169 A F + 0 0 14 -33,-0.3 -32,-0.1 -34,-0.1 -1,-0.1 0.876 60.4 60.4 -97.5 -63.4 23.6 13.8 14.3 113 170 A F S S- 0 0 11 7,-0.1 2,-0.5 1,-0.1 -2,-0.1 -0.400 78.1-139.5 -68.1 143.7 26.2 12.1 12.2 114 171 A I > - 0 0 61 5,-0.3 3,-1.7 -63,-0.1 4,-0.4 -0.912 17.0-114.8-111.3 130.6 29.8 12.9 13.1 115 172 A N T 3 S+ 0 0 109 -2,-0.5 -64,-0.1 1,-0.3 -63,-0.1 -0.426 99.6 3.6 -63.4 122.6 32.5 13.5 10.5 116 173 A G T 3 S+ 0 0 31 -65,-0.3 -1,-0.3 -2,-0.2 -100,-0.1 0.442 92.4 117.2 83.5 0.5 35.2 10.8 10.7 117 174 A S < - 0 0 7 -3,-1.7 -2,-0.1 2,-0.1 3,-0.1 0.750 68.7-140.9 -70.2 -25.7 33.4 8.7 13.4 118 175 A N + 0 0 36 -4,-0.4 2,-0.4 -67,-0.3 -86,-0.1 0.527 61.8 114.7 74.7 7.8 33.1 5.8 11.0 119 176 A W - 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0 0 2 -3,-2.3 5,-0.1 -4,-0.1 6,-0.1 -0.499 67.2 -90.2 -75.0 148.4 31.7 40.6 57.5 523 189 B R S S+ 0 0 102 1,-0.2 -59,-0.1 -2,-0.1 -2,-0.1 -0.861 104.3 12.3-105.9 143.4 33.1 38.2 54.9 524 190 B P S S- 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.975 132.6 -45.5 -74.3 -22.8 35.9 37.7 53.9 525 191 B D > - 0 0 65 -4,-0.0 3,-1.8 0, 0.0 -4,-0.1 -0.943 63.6 -78.3-159.3 177.6 37.1 39.7 56.9 526 192 B D T 3 S+ 0 0 105 -2,-0.3 -6,-0.1 1,-0.3 -7,-0.1 0.434 111.9 78.2 -69.3 2.7 36.5 42.9 58.9 527 193 B S T 3 S+ 0 0 88 1,-0.1 2,-1.4 -5,-0.1 -1,-0.3 0.707 73.0 86.9 -82.2 -18.3 38.3 45.1 56.3 528 194 B L S < S- 0 0 21 -3,-1.8 -1,-0.1 -9,-0.2 -5,-0.1 -0.661 86.1-135.8 -84.7 93.2 35.2 44.9 54.1 529 195 B E - 0 0 62 -2,-1.4 -36,-0.5 1,-0.1 -2,-0.1 -0.213 15.8-123.8 -52.8 124.5 33.2 47.8 55.5 530 196 B P > - 0 0 4 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.303 24.2-108.4 -68.3 155.0 29.5 47.1 56.0 531 197 B F H > S+ 0 0 7 -16,-0.4 4,-2.7 1,-0.2 5,-0.1 0.901 116.3 50.3 -52.1 -50.1 26.9 49.3 54.3 532 198 B F H > S+ 0 0 3 -17,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.834 108.5 53.8 -62.4 -30.8 25.7 51.0 57.5 533 199 B D H > S+ 0 0 49 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.915 110.6 45.8 -68.4 -41.2 29.2 51.9 58.4 534 200 B S H X S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.917 111.1 54.7 -66.0 -41.9 29.8 53.5 55.0 535 201 B L H X S+ 0 0 3 -4,-2.7 4,-1.2 1,-0.2 6,-0.3 0.942 112.6 40.5 -56.1 -52.9 26.5 55.3 55.3 536 202 B V H < S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.869 116.9 49.9 -65.8 -38.0 27.4 56.9 58.7 537 203 B K H < S+ 0 0 158 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.906 116.3 40.5 -68.8 -40.9 30.9 57.6 57.6 538 204 B Q H < S+ 0 0 91 -4,-3.0 2,-0.2 -5,-0.2 -1,-0.2 0.547 122.0 32.3 -86.2 -9.0 30.0 59.3 54.3 539 205 B T S < S- 0 0 24 -4,-1.2 -51,-0.0 -5,-0.2 -49,-0.0 -0.718 80.9-109.1-134.6-174.4 27.0 61.2 55.6 540 206 B H + 0 0 190 -2,-0.2 -4,-0.1 2,-0.0 3,-0.1 0.328 67.4 133.9-100.5 5.7 25.6 63.0 58.6 541 207 B V - 0 0 19 -6,-0.3 -2,-0.2 1,-0.1 31,-0.1 -0.357 66.3-106.2 -58.8 126.8 23.0 60.3 59.3 542 208 B P - 0 0 81 0, 0.0 2,-2.3 0, 0.0 -1,-0.1 -0.196 32.1-105.9 -54.5 147.4 23.0 59.5 63.0 543 209 B N S S+ 0 0 48 29,-0.1 200,-2.1 -3,-0.1 2,-0.3 -0.474 89.6 81.8 -77.8 73.3 24.6 56.1 63.9 544 210 B L - 0 0 20 -2,-2.3 28,-2.7 198,-0.2 2,-0.3 -0.944 47.8-175.9-171.9 147.3 21.3 54.4 64.6 545 211 B F E -HI 571 740F 0 195,-1.5 195,-2.7 -2,-0.3 2,-0.4 -0.977 11.3-152.4-147.2 154.5 18.3 52.7 62.9 546 212 B S E -HI 570 739F 0 24,-2.1 24,-2.3 -2,-0.3 2,-0.4 -0.976 6.1-148.9-132.9 146.4 15.1 51.2 64.2 547 213 B L E -HI 569 738F 1 191,-3.1 191,-2.6 -2,-0.4 2,-0.6 -0.955 13.2-176.8-122.9 131.7 12.8 48.5 62.9 548 214 B Q E -HI 568 737F 11 20,-3.0 20,-2.4 -2,-0.4 2,-0.6 -0.940 15.0-171.6-120.8 101.5 9.1 48.0 63.1 549 215 B L E -H 567 0F 0 187,-0.6 2,-0.7 -2,-0.6 18,-0.2 -0.873 8.9-154.2 -98.4 124.5 8.3 44.6 61.5 550 216 B d - 0 0 25 16,-3.1 2,-0.3 -2,-0.6 205,-0.1 -0.853 6.2-162.2-107.9 107.4 4.5 44.1 61.2 551 217 B G - 0 0 12 -2,-0.7 -147,-0.1 183,-0.3 15,-0.0 -0.661 17.9-139.5 -80.3 139.2 3.1 40.6 61.0 552 218 B A - 0 0 39 -2,-0.3 -1,-0.1 2,-0.2 -148,-0.0 0.825 25.1-129.2 -69.8 -33.1 -0.4 40.5 59.6 553 219 B G S S+ 0 0 23 1,-0.3 -1,-0.1 203,-0.1 -2,-0.0 0.326 85.0 49.2 98.5 -6.6 -1.8 38.0 62.0 554 220 B F S S- 0 0 121 149,-0.1 -1,-0.3 159,-0.0 -2,-0.2 -0.940 103.1 -68.6-152.7 168.0 -3.2 35.9 59.2 555 221 B P - 0 0 32 0, 0.0 2,-0.5 0, 0.0 149,-0.1 -0.362 39.2-153.7 -67.2 143.2 -1.9 34.5 55.8 556 222 B L - 0 0 22 147,-0.2 149,-0.1 -2,-0.0 -4,-0.0 -0.983 14.8-139.9-116.4 123.2 -1.1 37.0 53.1 557 223 B N > - 0 0 78 -2,-0.5 4,-2.8 1,-0.1 5,-0.3 -0.163 35.3 -85.5 -74.6 177.2 -1.4 35.6 49.6 558 224 B Q H > S+ 0 0 163 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.893 128.3 37.2 -49.0 -53.0 1.0 36.4 46.7 559 225 B S H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.857 115.2 55.5 -72.2 -35.5 -0.7 39.6 45.6 560 226 B E H >> S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.934 105.0 50.5 -63.1 -47.6 -1.6 40.7 49.1 561 227 B V H 3< S+ 0 0 11 -4,-2.8 -158,-0.6 1,-0.2 -1,-0.2 0.770 109.9 52.4 -64.2 -23.9 2.0 40.5 50.4 562 228 B L H 3< S+ 0 0 63 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.781 116.7 38.4 -80.6 -27.2 3.1 42.6 47.4 563 229 B A H << S+ 0 0 90 -4,-1.3 -2,-0.2 -3,-0.5 2,-0.2 0.639 100.4 91.8 -97.1 -16.5 0.5 45.3 48.1 564 230 B S S < S- 0 0 45 -4,-2.1 2,-0.6 -5,-0.1 -161,-0.3 -0.475 78.0-117.7 -84.3 150.1 0.6 45.3 51.9 565 231 B V - 0 0 70 -2,-0.2 -163,-0.2 1,-0.1 -165,-0.1 -0.758 25.8-170.9 -84.2 121.3 2.8 47.5 54.1 566 232 B G - 0 0 3 -165,-2.8 -16,-3.1 -2,-0.6 2,-0.3 0.564 48.1 -80.4 -91.9 -9.3 5.1 45.2 56.1 567 233 B G E -ZH 401 549F 0 -166,-1.1 -166,-2.2 -18,-0.2 2,-0.4 -0.976 49.0 -67.6 147.3-160.1 6.6 47.7 58.5 568 234 B S E - H 0 548F 0 -20,-2.4 -20,-3.0 -2,-0.3 2,-0.5 -0.996 15.4-166.2-141.5 140.7 9.2 50.5 58.8 569 235 B M E - H 0 547F 2 -172,-0.7 2,-0.8 -2,-0.4 -22,-0.2 -0.957 18.2-161.9-123.0 106.1 12.9 50.9 58.9 570 236 B I E > - H 0 546F 0 -24,-2.3 -24,-2.1 -2,-0.5 2,-0.7 -0.823 7.6-153.9 -93.5 112.0 13.8 54.3 60.3 571 237 B I E 3 S+ H 0 545F 8 -2,-0.8 -26,-0.2 -26,-0.2 3,-0.1 -0.789 74.5 2.5 -93.3 117.5 17.3 55.1 59.3 572 238 B G T 3 S+ 0 0 9 -28,-2.7 2,-0.3 -2,-0.7 -1,-0.2 0.536 124.6 35.6 90.2 8.5 19.1 57.6 61.6 573 239 B G S < S- 0 0 9 -3,-0.6 2,-0.4 -29,-0.2 -1,-0.2 -0.951 73.4 -99.4-167.8-171.8 16.2 58.0 64.1 574 240 B I - 0 0 33 -2,-0.3 2,-0.7 -3,-0.1 -3,-0.0 -0.997 24.2-152.5-130.6 123.9 13.3 56.9 66.2 575 241 B D > - 0 0 6 -2,-0.4 3,-1.7 1,-0.1 -182,-0.2 -0.881 4.4-155.2-102.4 114.5 9.6 57.5 65.1 576 242 B H G > S+ 0 0 115 -184,-1.8 3,-0.8 -2,-0.7 -1,-0.1 0.635 87.1 68.4 -62.8 -16.1 7.3 57.8 68.1 577 243 B S G 3 S+ 0 0 82 -185,-0.3 -1,-0.3 1,-0.2 -184,-0.1 0.676 88.1 68.8 -78.1 -13.7 4.2 56.8 66.2 578 244 B L G < S+ 0 0 6 -3,-1.7 175,-2.4 174,-0.1 176,-0.4 0.519 105.1 29.7 -83.2 -5.8 5.6 53.2 65.7 579 245 B Y E < -J 752 0F 36 -3,-0.8 2,-0.3 173,-0.3 173,-0.2 -0.937 62.7-140.7-147.1 169.3 5.3 52.2 69.4 580 246 B T E +J 751 0F 81 171,-2.0 171,-0.7 -2,-0.3 157,-0.1 -0.895 65.9 13.1-127.7 159.1 3.4 52.7 72.6 581 247 B G E S- 0 0 64 -2,-0.3 2,-0.2 169,-0.1 -2,-0.1 -0.274 102.8 -32.0 73.5-163.2 4.6 52.9 76.2 582 248 B S E - 0 0 88 183,-0.3 2,-0.4 1,-0.0 169,-0.3 -0.594 51.6-122.0 -97.3 155.1 8.2 53.4 77.1 583 249 B L E - 0 0 33 -2,-0.2 2,-0.4 167,-0.1 167,-0.2 -0.773 25.2-162.9 -91.7 134.2 11.4 52.2 75.4 584 250 B W E -J 749 0F 61 165,-2.4 165,-2.6 -2,-0.4 2,-0.4 -0.967 8.8-145.2-119.0 137.3 13.7 50.0 77.5 585 251 B Y E -J 748 0F 35 -2,-0.4 100,-0.4 163,-0.2 163,-0.2 -0.855 12.8-169.6-111.1 139.9 17.3 49.4 76.6 586 252 B T E -J 747 0F 0 161,-2.6 161,-2.9 -2,-0.4 98,-0.2 -0.916 36.1-103.9-116.5 144.9 19.6 46.4 77.0 587 253 B P E -J 746 0F 37 0, 0.0 2,-1.0 0, 0.0 10,-0.3 -0.391 21.9-122.2 -71.2 146.1 23.3 46.7 76.3 588 254 B I - 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