==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 25-JAN-94 1BYC . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR B.MIKAMI,M.DEGANO,E.J.HEHRE,J.C.SACCHETTINI . 490 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 0 0.0 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 . 38 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 3 2 0 0 1 1 0 1 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 1 3 2 1 0 1 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 . 4 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 5 A S 0 0 108 0, 0.0 402,-0.4 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 149.7 -4.0 66.5 15.5 2 6 A N > - 0 0 97 400,-0.2 3,-2.4 1,-0.1 4,-0.1 -0.161 360.0-120.4 -65.9 150.8 -6.5 63.7 14.1 3 7 A M G > S+ 0 0 43 1,-0.3 3,-2.3 2,-0.2 397,-0.1 0.716 108.0 74.4 -56.3 -29.5 -8.3 60.8 15.8 4 8 A L G > S+ 0 0 24 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.710 81.2 70.9 -59.2 -23.8 -6.5 58.5 13.5 5 9 A L G < S+ 0 0 41 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.592 91.6 60.7 -69.4 -6.3 -3.5 59.1 15.7 6 10 A N G < S+ 0 0 1 -3,-2.3 -1,-0.3 398,-0.2 2,-0.2 0.394 77.7 123.2 -95.7 -3.7 -5.4 57.1 18.2 7 11 A Y < - 0 0 7 -3,-1.6 431,-0.2 431,-0.1 430,-0.1 -0.405 41.0-168.1 -67.5 135.3 -5.5 54.0 16.1 8 12 A V - 0 0 1 429,-2.1 403,-0.1 -2,-0.2 402,-0.1 -0.978 24.0-125.8-120.9 122.5 -4.0 50.7 17.5 9 13 A P - 0 0 0 0, 0.0 403,-1.9 0, 0.0 2,-0.4 -0.370 17.5-146.8 -68.7 154.7 -3.6 48.0 15.0 10 14 A V E -a 412 0A 0 32,-0.2 34,-1.9 401,-0.2 35,-1.2 -0.946 13.5-174.4-122.6 129.1 -5.1 44.5 15.5 11 15 A Y E -ab 413 45A 9 401,-2.3 403,-2.2 -2,-0.4 2,-0.4 -0.766 13.0-144.7-115.6 157.6 -3.5 41.2 14.4 12 16 A V E -ab 414 46A 0 33,-1.3 35,-2.2 -2,-0.3 2,-0.3 -0.983 17.8-125.3-125.3 131.9 -4.9 37.6 14.5 13 17 A M E - b 0 47A 12 401,-1.4 404,-0.8 -2,-0.4 35,-0.2 -0.644 25.0-128.1 -76.9 143.6 -2.9 34.6 15.1 14 18 A L - 0 0 4 33,-2.9 35,-0.1 -2,-0.3 402,-0.1 -0.419 39.2 -81.6 -80.5 162.7 -3.2 31.9 12.6 15 19 A P > - 0 0 43 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.152 50.6-101.8 -63.0 150.0 -4.0 28.3 13.7 16 20 A L T 3 S+ 0 0 20 1,-0.3 4,-0.0 2,-0.1 32,-0.0 -0.412 107.5 22.6 -67.3 143.7 -1.1 26.2 14.9 17 21 A G T 3 + 0 0 14 1,-0.1 -1,-0.3 -2,-0.1 9,-0.2 0.747 66.7 144.6 76.6 11.2 -0.1 23.9 12.3 18 22 A V S < S+ 0 0 21 -3,-1.2 8,-0.9 1,-0.2 9,-0.5 0.772 85.7 41.6 -58.8 -20.0 -1.4 25.7 9.3 19 23 A V B S-J 25 0B 1 6,-0.2 6,-0.2 7,-0.1 -1,-0.2 -0.994 102.6-138.8-120.5 115.5 1.8 24.2 7.8 20 24 A N > - 0 0 28 4,-2.5 3,-3.4 -2,-0.5 4,-0.5 -0.247 25.0 -93.1 -80.6 177.0 2.1 20.7 9.0 21 25 A V T 3 S+ 0 0 61 1,-0.3 -1,-0.1 2,-0.2 -4,-0.0 0.577 123.7 63.0 -57.5 -21.7 5.1 18.8 10.3 22 26 A D T 3 S- 0 0 125 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.461 118.9-111.4 -83.6 2.6 5.5 17.5 6.9 23 27 A N S < S+ 0 0 23 -3,-3.4 2,-0.4 1,-0.3 44,-0.2 0.885 73.3 138.7 68.9 44.0 6.2 20.9 5.6 24 28 A V - 0 0 74 -4,-0.5 -4,-2.5 43,-0.1 2,-1.0 -0.970 57.5-135.1-124.3 131.5 2.9 21.0 3.7 25 29 A F B -J 19 0B 26 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.727 32.8-170.0 -83.1 98.2 0.5 23.9 3.5 26 30 A E + 0 0 122 -2,-1.0 -1,-0.2 -8,-0.9 3,-0.2 0.861 60.4 18.1 -67.3 -48.4 -2.6 21.8 4.1 27 31 A D > + 0 0 93 -9,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.521 54.9 159.3-136.5 81.9 -5.6 23.8 3.4 28 32 A P H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.870 80.3 52.4 -65.2 -34.1 -5.2 26.9 1.4 29 33 A D H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.932 110.3 45.9 -71.7 -44.9 -8.7 27.1 0.4 30 34 A G H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.958 114.3 48.0 -59.6 -50.7 -10.1 26.9 3.8 31 35 A L H X S+ 0 0 5 -4,-2.2 4,-3.4 1,-0.3 5,-0.3 0.926 107.4 59.0 -55.1 -45.0 -7.6 29.4 5.2 32 36 A K H X S+ 0 0 75 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.3 0.908 102.4 49.0 -57.1 -45.3 -8.4 31.6 2.4 33 37 A E H X S+ 0 0 124 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.960 113.9 50.2 -61.7 -39.2 -12.1 31.9 3.2 34 38 A Q H X S+ 0 0 39 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.939 108.9 49.2 -60.3 -53.3 -11.1 32.6 6.8 35 39 A L H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.872 107.3 56.0 -55.1 -36.5 -8.6 35.4 5.9 36 40 A L H X S+ 0 0 64 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.903 104.3 53.6 -67.9 -35.0 -11.1 37.0 3.7 37 41 A Q H X S+ 0 0 83 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.923 108.9 48.6 -57.7 -45.4 -13.4 37.2 6.7 38 42 A L H <>S+ 0 0 0 -4,-1.9 5,-2.0 2,-0.2 4,-0.4 0.884 107.8 54.9 -64.3 -39.8 -10.7 38.9 8.8 39 43 A R H ><5S+ 0 0 50 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.942 108.4 48.7 -61.9 -39.3 -10.0 41.5 6.0 40 44 A A H 3<5S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 105.0 59.5 -73.6 -23.5 -13.7 42.5 5.9 41 45 A A T 3<5S- 0 0 14 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.442 120.2-109.2 -75.7 -16.3 -13.7 42.8 9.7 42 46 A G T < 5 + 0 0 11 -3,-1.4 -32,-0.2 -4,-0.4 -3,-0.2 0.533 59.6 162.8 95.5 12.4 -11.1 45.5 9.4 43 47 A V < - 0 0 0 -5,-2.0 -1,-0.2 1,-0.1 -32,-0.2 -0.349 31.8-147.5 -64.4 137.3 -8.2 43.3 10.9 44 48 A D - 0 0 6 -34,-1.9 37,-1.8 1,-0.1 2,-0.2 0.854 61.1 -35.9 -81.0 -36.4 -4.7 44.8 10.1 45 49 A G E -bc 11 81A 0 -35,-1.2 -33,-1.3 35,-0.3 2,-0.3 -0.902 54.3-110.2-168.5-173.5 -2.7 41.6 9.8 46 50 A V E -bc 12 82A 0 35,-2.2 37,-2.6 -35,-0.3 2,-0.4 -0.947 17.5-134.4-137.7 161.4 -2.0 38.1 11.1 47 51 A M E -bc 13 83A 1 -35,-2.2 -33,-2.9 -2,-0.3 2,-0.3 -0.931 22.5-177.1-121.4 142.3 0.7 36.4 13.1 48 52 A V E - c 0 84A 5 35,-2.6 37,-2.7 -2,-0.4 2,-0.3 -0.995 26.8-122.1-144.4 141.0 2.3 33.0 12.3 49 53 A D E - c 0 85A 23 -2,-0.3 2,-0.7 35,-0.2 37,-0.1 -0.655 15.6-156.9 -73.8 131.6 4.9 30.5 13.8 50 54 A V E - c 0 86A 0 35,-2.1 37,-1.5 -2,-0.3 2,-0.5 -0.877 26.2-142.0-105.8 86.8 7.7 29.8 11.4 51 55 A W E >> - c 0 87A 6 -2,-0.7 4,-2.1 1,-0.2 3,-1.5 -0.431 17.9-160.6 -65.0 121.2 8.7 26.5 13.0 52 56 A W H 3> S+ 0 0 0 35,-2.5 4,-2.3 -2,-0.5 -1,-0.2 0.872 93.4 58.5 -59.0 -40.8 12.3 25.7 13.2 53 57 A G H 34 S+ 0 0 7 34,-0.4 -1,-0.3 36,-0.3 52,-0.3 0.693 109.7 41.6 -71.2 -18.9 11.5 22.1 13.5 54 58 A I H X4 S+ 0 0 3 -3,-1.5 3,-0.9 47,-0.1 4,-0.2 0.888 118.1 45.2 -83.8 -48.8 9.6 21.9 10.2 55 59 A I H 3< S+ 0 0 2 -4,-2.1 9,-1.0 1,-0.2 3,-0.2 0.843 121.6 31.9 -66.0 -47.9 12.1 24.1 8.1 56 60 A E T 3< S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 3,-0.2 -0.115 84.8 123.3-106.7 36.2 15.5 22.7 9.1 57 61 A L < + 0 0 73 -3,-0.9 49,-0.6 1,-0.2 -1,-0.2 0.914 62.1 55.8 -60.3 -53.3 14.2 19.2 9.7 58 62 A K S S- 0 0 182 4,-0.5 -1,-0.2 -3,-0.2 -2,-0.1 0.774 120.3 -55.0 -57.8 -40.3 16.3 17.2 7.3 59 63 A G S > S- 0 0 10 3,-0.3 3,-2.0 -3,-0.2 -1,-0.2 -0.934 83.0 -34.7 173.0 177.4 19.8 18.2 8.6 60 64 A P T 3 S- 0 0 46 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.338 126.3 -0.0 -64.7 131.8 21.9 21.3 9.3 61 65 A K T 3 S+ 0 0 121 1,-0.2 2,-1.0 -2,-0.1 -5,-0.0 0.620 92.0 131.1 60.8 25.4 21.3 24.0 6.9 62 66 A Q < + 0 0 108 -3,-2.0 -4,-0.5 -6,-0.2 -3,-0.3 -0.648 35.2 173.9-102.4 75.6 18.8 22.0 5.0 63 67 A Y - 0 0 50 -2,-1.0 2,-0.4 -7,-0.1 -7,-0.2 -0.632 21.6-170.6 -86.3 144.6 16.1 24.6 4.8 64 68 A D + 0 0 43 -9,-1.0 4,-0.2 -2,-0.3 3,-0.2 -0.946 12.6 167.5-132.1 105.6 12.9 24.2 2.9 65 69 A W > + 0 0 13 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 0.370 44.9 105.6 -95.8 1.0 11.0 27.4 2.8 66 70 A R H > S+ 0 0 181 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.875 76.9 44.6 -55.4 -55.0 8.5 26.4 0.1 67 71 A A H > S+ 0 0 9 -44,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 114.0 51.2 -63.5 -34.4 5.3 25.8 2.0 68 72 A Y H > S+ 0 0 2 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.884 105.2 57.5 -68.1 -33.5 5.8 29.0 4.0 69 73 A R H X S+ 0 0 77 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.955 107.6 48.4 -59.0 -44.1 6.3 30.9 0.7 70 74 A S H X S+ 0 0 62 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.888 111.4 48.7 -60.9 -46.2 2.9 29.7 -0.4 71 75 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.940 111.1 49.2 -60.9 -49.1 1.3 30.8 2.8 72 76 A F H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.937 109.1 54.1 -60.4 -39.7 2.8 34.2 2.8 73 77 A Q H X S+ 0 0 83 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.933 109.1 47.7 -55.5 -48.7 1.7 34.7 -0.8 74 78 A L H X S+ 0 0 14 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.902 110.6 51.7 -60.9 -39.4 -1.9 33.8 0.2 75 79 A V H <>S+ 0 0 0 -4,-2.5 5,-1.7 2,-0.2 4,-0.2 0.937 109.9 49.8 -62.2 -43.0 -1.8 36.3 3.1 76 80 A Q H ><5S+ 0 0 68 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.926 106.9 54.3 -61.9 -41.9 -0.6 38.9 0.7 77 81 A E H 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 104.7 57.2 -60.0 -30.7 -3.4 38.2 -1.7 78 82 A C T 3<5S- 0 0 6 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.448 115.1-115.7 -84.5 -0.6 -5.9 38.7 1.1 79 83 A G T < 5S+ 0 0 37 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.817 71.2 129.2 75.2 29.6 -4.6 42.3 1.9 80 84 A L < - 0 0 5 -5,-1.7 -35,-0.3 -4,-0.0 -1,-0.3 -0.893 51.8-131.7-114.5 152.6 -3.2 41.5 5.3 81 85 A T E -c 45 0A 37 -37,-1.8 -35,-2.2 -2,-0.3 2,-0.4 -0.375 25.9-130.9 -91.6 178.8 0.2 42.2 6.9 82 86 A L E -cd 46 170A 0 87,-2.3 89,-3.1 -37,-0.2 90,-1.1 -0.978 17.1-160.3-144.1 136.2 2.2 39.7 8.7 83 87 A Q E -cd 47 172A 5 -37,-2.6 -35,-2.6 -2,-0.4 2,-0.5 -0.974 24.4-156.6-111.9 117.7 4.1 39.2 12.0 84 88 A A E -cd 48 173A 0 88,-2.3 90,-2.8 -2,-0.5 2,-0.5 -0.857 2.5-153.4-104.3 128.1 6.5 36.3 11.7 85 89 A I E -cd 49 174A 4 -37,-2.7 -35,-2.1 -2,-0.5 2,-1.4 -0.847 13.5-142.1 -99.5 130.9 7.8 34.3 14.7 86 90 A M E -cd 50 175A 0 88,-2.7 90,-1.4 -2,-0.5 2,-1.2 -0.770 29.5-163.0 -81.7 88.4 11.2 32.6 14.5 87 91 A S E +c 51 0A 0 -37,-1.5 -35,-2.5 -2,-1.4 -34,-0.4 -0.687 25.3 165.6 -86.1 95.0 9.8 29.7 16.5 88 92 A F + 0 0 0 -2,-1.2 43,-0.4 -37,-0.2 2,-0.3 -0.093 54.6 79.9 -93.6 30.7 12.9 27.8 17.8 89 93 A H S S- 0 0 8 41,-0.1 -36,-0.3 13,-0.1 41,-0.2 -0.870 84.7 -92.6-130.7 171.9 10.8 25.9 20.3 90 94 A Q - 0 0 32 39,-2.2 2,-0.4 -2,-0.3 90,-0.4 -0.534 25.0-140.0 -91.7 150.5 8.5 22.9 20.2 91 95 A C B S+K 101 0C 1 10,-2.6 10,-2.9 -2,-0.2 -1,-0.0 -0.913 74.5 57.5 -99.6 131.8 4.7 22.9 19.8 92 96 A G S S+ 0 0 28 -2,-0.4 -1,-0.1 8,-0.2 8,-0.1 -0.075 81.7 64.5 150.1 -51.1 2.9 20.5 22.0 93 97 A G S S+ 0 0 16 -3,-0.1 98,-0.5 2,-0.1 97,-0.5 0.338 84.8 84.3 -93.3 10.0 3.3 20.6 25.8 94 98 A N S > S- 0 0 20 1,-0.1 3,-2.4 96,-0.1 -2,-0.1 -0.693 94.0 -71.8-113.0 165.7 1.8 24.0 26.5 95 99 A V T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.239 119.8 10.0 -55.1 129.1 -1.7 25.2 27.1 96 100 A G T 3 S+ 0 0 57 1,-0.2 2,-2.0 -4,-0.1 -1,-0.3 0.305 82.6 144.3 88.3 -12.0 -3.6 25.2 23.8 97 101 A D < + 0 0 40 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.0 -0.390 15.9 168.9 -66.2 88.8 -1.0 23.2 21.9 98 102 A I + 0 0 141 -2,-2.0 2,-0.3 -3,-0.1 -1,-0.2 0.407 61.7 49.3 -80.1 0.1 -3.2 21.1 19.6 99 103 A V S S- 0 0 42 -3,-0.0 2,-0.7 2,-0.0 -82,-0.1 -0.981 78.4-127.7-136.9 149.2 -0.4 19.9 17.4 100 104 A N + 0 0 99 -2,-0.3 -8,-0.2 -8,-0.1 -79,-0.1 -0.895 32.2 164.0 -97.5 120.9 3.0 18.4 18.1 101 105 A I B -K 91 0C 1 -10,-2.9 -10,-2.6 -2,-0.7 -48,-0.1 -0.888 16.3-168.0-131.2 106.8 5.9 20.1 16.5 102 106 A P - 0 0 37 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.286 29.3 -92.4 -88.4 175.5 9.2 19.3 17.8 103 107 A I S S- 0 0 3 25,-0.4 5,-0.1 1,-0.2 -50,-0.1 -0.224 74.6 -54.0 -71.8 171.2 12.6 20.8 17.3 104 108 A P >> - 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-1.4 -0.244 44.2-131.8 -55.4 137.9 14.7 19.3 14.5 105 109 A Q H 3> S+ 0 0 92 1,-0.3 4,-2.9 -52,-0.3 5,-0.2 0.863 106.7 58.9 -53.6 -39.9 15.3 15.6 14.7 106 110 A W H 3> S+ 0 0 17 -49,-0.6 4,-1.3 2,-0.2 -1,-0.3 0.833 107.6 45.9 -67.2 -24.6 18.9 16.0 14.1 107 111 A V H <> S+ 0 0 0 -3,-1.4 4,-2.1 2,-0.2 3,-0.4 0.957 110.3 52.8 -77.0 -46.4 19.2 18.2 17.2 108 112 A L H X S+ 0 0 26 -4,-2.2 4,-1.2 1,-0.3 -2,-0.2 0.856 105.1 58.1 -52.8 -38.9 17.1 15.7 19.2 109 113 A D H >X S+ 0 0 90 -4,-2.9 4,-0.6 -5,-0.2 3,-0.5 0.934 104.3 49.7 -60.1 -47.1 19.6 13.1 18.0 110 114 A I H >X S+ 0 0 28 -4,-1.3 4,-1.2 -3,-0.4 3,-1.2 0.913 108.6 53.0 -56.4 -42.8 22.5 15.0 19.5 111 115 A G H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.720 93.2 72.1 -67.6 -21.7 20.6 15.2 22.8 112 116 A E H << S+ 0 0 123 -4,-1.2 -1,-0.3 -3,-0.5 3,-0.2 0.803 113.6 28.3 -63.6 -23.3 20.1 11.5 22.7 113 117 A S H << S+ 0 0 106 -3,-1.2 2,-0.4 -4,-0.6 -2,-0.3 0.637 128.1 39.9-117.9 -2.9 23.6 11.6 23.5 114 118 A N >< + 0 0 30 -4,-1.2 3,-1.0 -5,-0.1 -1,-0.3 -0.848 62.4 179.3-139.2 86.3 24.2 14.8 25.4 115 119 A H G > + 0 0 83 -2,-0.4 3,-1.1 1,-0.2 -4,-0.1 0.549 69.0 78.7 -62.3 -17.1 21.2 15.2 27.6 116 120 A D G 3 + 0 0 35 1,-0.2 92,-0.4 90,-0.1 -1,-0.2 0.323 69.1 82.5 -82.2 10.6 22.5 18.4 29.0 117 121 A I G < S+ 0 0 0 -3,-1.0 15,-2.3 -6,-0.1 2,-0.3 0.557 86.4 72.8 -85.2 -8.3 21.4 20.4 25.9 118 122 A F E < S-L 131 0D 0 -3,-1.1 13,-0.2 13,-0.2 10,-0.1 -0.764 97.7 -93.3-105.5 155.6 17.9 20.6 27.5 119 123 A Y E -L 127 0D 1 11,-0.8 8,-3.2 8,-0.6 2,-0.4 -0.364 49.7-164.3 -58.1 135.4 16.5 22.5 30.4 120 124 A T E -L 126 0D 5 83,-0.3 85,-2.0 6,-0.2 86,-0.4 -0.992 9.9-145.8-132.8 134.7 16.7 20.2 33.5 121 125 A N > - 0 0 4 4,-1.5 3,-1.7 -2,-0.4 82,-0.1 -0.209 40.1 -91.6 -93.7 175.1 15.1 20.3 36.8 122 126 A R T 3 S+ 0 0 135 80,-0.4 -1,-0.1 1,-0.3 81,-0.1 0.827 126.9 55.6 -58.3 -32.5 16.5 19.3 40.1 123 127 A S T 3 S- 0 0 71 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.481 120.9-108.7 -75.8 -8.7 15.1 15.8 39.8 124 128 A G < + 0 0 38 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.590 63.2 155.1 92.6 13.4 16.9 15.5 36.4 125 129 A T - 0 0 62 67,-0.0 -4,-1.5 1,-0.0 2,-0.6 -0.638 35.1-141.9 -74.5 128.3 13.9 15.7 34.1 126 130 A R E -L 120 0D 67 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.851 5.9-153.4 -95.8 124.2 14.9 16.9 30.7 127 131 A N E -L 119 0D 13 -8,-3.2 -8,-0.6 -2,-0.6 3,-0.5 -0.837 6.6-169.0 -93.7 120.0 12.6 19.2 28.9 128 132 A K E + 0 0 78 -2,-0.5 -25,-0.4 1,-0.2 -1,-0.1 0.236 61.1 96.2 -95.1 11.6 13.1 18.9 25.2 129 133 A E E S+ 0 0 6 1,-0.2 -39,-2.2 -10,-0.1 2,-0.3 0.519 95.2 5.8 -81.4 -3.5 11.0 21.9 24.1 130 134 A Y E S- 0 0 1 -3,-0.5 -11,-0.8 -41,-0.2 2,-0.3 -0.931 80.2 -99.7-173.8 147.0 14.0 24.3 23.8 131 135 A L E -L 118 0D 0 -43,-0.4 -13,-0.2 -2,-0.3 -14,-0.1 -0.615 46.3-106.7 -82.7 141.3 17.7 24.3 24.1 132 136 A T > - 0 0 0 -15,-2.3 3,-2.3 -2,-0.3 4,-0.1 -0.243 17.7-123.6 -65.0 144.4 19.1 25.5 27.3 133 137 A V G > S+ 0 0 13 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.732 106.7 79.0 -48.8 -29.5 20.8 28.9 27.5 134 138 A G G 3 S+ 0 0 17 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.780 95.2 43.5 -58.2 -24.5 23.8 26.9 28.8 135 139 A V G X S+ 0 0 0 -3,-2.3 11,-1.4 -18,-0.2 3,-1.3 0.303 75.6 112.3-105.1 14.7 24.6 25.8 25.2 136 140 A D T < S+ 0 0 4 -3,-1.9 11,-2.5 1,-0.3 12,-0.4 0.888 96.6 23.7 -50.0 -38.9 24.1 29.3 23.5 137 141 A N T 3 S+ 0 0 90 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.149 93.0 111.9-120.5 23.6 27.9 29.3 22.9 138 142 A E < - 0 0 71 -3,-1.3 2,-1.5 1,-0.1 3,-0.3 -0.842 59.6-143.9 -98.4 125.1 28.9 25.6 22.9 139 143 A P + 0 0 79 0, 0.0 4,-0.5 0, 0.0 6,-0.2 -0.246 65.0 116.0 -89.1 56.5 30.0 24.4 19.4 140 144 A I + 0 0 53 -2,-1.5 2,-0.9 -5,-0.2 5,-0.2 0.239 43.1 90.6-102.8 3.6 28.6 21.0 19.8 141 145 A F B > S-M 144 0E 0 3,-2.9 3,-1.9 -3,-0.3 -1,-0.1 -0.693 124.5 -56.9-103.6 77.0 25.9 21.0 17.1 142 146 A H T 3 S- 0 0 129 -2,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.896 114.8 -40.5 56.4 40.8 27.9 19.7 14.2 143 147 A G T 3 S+ 0 0 58 -4,-0.5 -1,-0.3 1,-0.3 2,-0.3 0.158 123.1 102.7 95.2 -18.0 30.4 22.5 14.6 144 148 A R B < -M 141 0E 20 -3,-1.9 -3,-2.9 1,-0.0 -1,-0.3 -0.721 63.7-133.6-101.3 155.5 27.8 25.2 15.3 145 149 A T > - 0 0 14 -2,-0.3 4,-1.5 -6,-0.2 -8,-0.2 -0.376 34.6-105.8 -91.2 167.0 26.7 26.8 18.6 146 150 A A H > S+ 0 0 0 -11,-1.4 4,-2.1 -8,-0.3 5,-0.2 0.926 122.2 52.7 -66.6 -37.0 23.0 27.2 19.4 147 151 A I H > S+ 0 0 9 -11,-2.5 4,-2.8 1,-0.2 5,-0.2 0.921 107.2 52.4 -65.2 -38.8 23.2 30.9 18.7 148 152 A E H > S+ 0 0 92 -12,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.850 106.5 54.3 -58.8 -39.4 24.8 30.2 15.3 149 153 A I H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.939 112.1 43.0 -60.7 -45.8 22.0 27.9 14.5 150 154 A Y H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.900 115.0 49.9 -67.0 -42.6 19.4 30.6 15.2 151 155 A S H X S+ 0 0 3 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.940 109.5 49.0 -62.2 -49.2 21.4 33.2 13.4 152 156 A D H X S+ 0 0 36 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.881 110.2 54.9 -57.0 -40.6 21.9 31.1 10.3 153 157 A Y H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.918 107.9 46.5 -60.9 -45.4 18.2 30.4 10.3 154 158 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.857 111.5 52.0 -69.6 -30.6 17.2 34.0 10.3 155 159 A K H X S+ 0 0 75 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.919 110.5 48.8 -65.1 -46.1 19.7 34.9 7.6 156 160 A S H X S+ 0 0 13 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.944 110.8 49.9 -59.6 -47.2 18.3 32.1 5.4 157 161 A F H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.910 111.2 50.8 -54.8 -48.7 14.7 33.3 6.1 158 162 A R H < S+ 0 0 72 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.924 114.2 41.3 -59.0 -49.3 15.8 36.9 5.2 159 163 A E H >< S+ 0 0 126 -4,-2.7 3,-1.3 1,-0.2 4,-0.2 0.940 116.7 48.3 -66.2 -46.7 17.4 35.9 1.9 160 164 A N H 3< S+ 0 0 73 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.686 119.0 37.6 -70.9 -17.5 14.7 33.5 0.9 161 165 A M T 3X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.3 -0.023 77.7 122.0-113.0 19.7 11.7 35.8 1.7 162 166 A S H <> S+ 0 0 52 -3,-1.3 4,-2.6 1,-0.2 5,-0.2 0.866 70.9 55.9 -60.3 -32.9 13.4 39.0 0.4 163 167 A D H > S+ 0 0 63 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.943 110.2 44.6 -60.9 -47.7 10.6 39.6 -2.1 164 168 A F H 4>S+ 0 0 4 1,-0.2 5,-1.7 2,-0.2 6,-0.7 0.897 112.5 54.6 -62.3 -36.1 7.9 39.5 0.6 165 169 A L H ><5S+ 0 0 8 -4,-2.6 3,-0.9 1,-0.2 120,-0.3 0.933 111.3 42.8 -64.6 -43.6 10.2 41.7 2.8 166 170 A E H 3<5S+ 0 0 151 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.831 105.6 60.8 -77.1 -22.8 10.5 44.3 0.3 167 171 A S T 3<5S- 0 0 67 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.496 113.7-117.0 -79.0 3.1 6.9 44.3 -0.8 168 172 A G T < 5S+ 0 0 37 -3,-0.9 -3,-0.2 -4,-0.4 -86,-0.2 0.700 77.1 127.7 74.0 21.6 6.1 45.3 2.9 169 173 A L < + 0 0 8 -5,-1.7 -87,-2.3 -88,-0.1 2,-0.6 0.940 62.4 60.6 -71.9 -43.1 4.1 42.2 3.7 170 174 A I E +d 82 0A 1 -6,-0.7 -87,-0.2 -89,-0.2 -1,-0.1 -0.698 56.6 170.7 -90.8 120.1 6.1 41.4 6.9 171 175 A I E + 0 0 28 -89,-3.1 116,-1.2 -2,-0.6 2,-0.3 0.710 61.2 20.5-102.8 -25.8 6.0 44.0 9.5 172 176 A D E -de 83 287A 9 -90,-1.1 -88,-2.3 114,-0.2 2,-0.5 -0.988 54.5-149.7-145.0 147.2 7.6 42.4 12.5 173 177 A I E -de 84 288A 0 114,-2.1 116,-1.8 -2,-0.3 2,-0.6 -0.984 15.9-157.2-109.7 109.1 9.9 39.6 13.3 174 178 A E E -de 85 289A 2 -90,-2.8 -88,-2.7 -2,-0.5 2,-0.8 -0.798 13.4-142.7 -87.7 122.7 9.2 38.2 16.7 175 179 A V E -d 86 0A 2 114,-3.0 116,-0.4 -2,-0.6 2,-0.2 -0.746 10.7-135.3 -94.0 115.1 12.4 36.4 17.9 176 180 A G + 0 0 1 -90,-1.4 6,-0.2 -2,-0.8 4,-0.1 -0.416 30.6 169.7 -65.6 129.6 11.6 33.2 19.8 177 181 A L - 0 0 0 4,-1.1 7,-0.2 -2,-0.2 5,-0.2 0.329 57.3 -14.2-127.2 2.9 13.8 33.1 22.9 178 182 A G S > S- 0 0 0 5,-0.2 3,-2.0 -49,-0.1 5,-0.1 -0.957 102.2 -18.0-174.7-163.5 12.4 30.2 25.0 179 183 A P G > S+ 0 0 0 0, 0.0 3,-2.5 0, 0.0 -2,-0.1 -0.241 132.2 12.8 -55.5 146.1 9.5 27.9 25.5 180 184 A A G 3 S- 0 0 34 -90,-0.4 3,-0.1 1,-0.3 -89,-0.1 0.673 132.6 -75.3 56.7 14.6 6.3 29.1 23.7 181 185 A G G < S+ 0 0 2 -3,-2.0 -4,-1.1 1,-0.3 110,-0.6 0.466 102.2 133.6 76.1 5.5 8.7 31.5 22.1 182 186 A E B < -f 291 0A 19 -3,-2.5 2,-1.5 -6,-0.2 -1,-0.3 -0.640 69.4-113.6 -90.6 146.4 8.9 33.5 25.3 183 187 A L S S+ 0 0 1 108,-2.9 110,-0.3 -2,-0.3 2,-0.3 -0.642 83.0 90.2 -77.1 92.7 12.0 34.8 27.0 184 188 A R S S- 0 0 4 -2,-1.5 127,-0.2 -7,-0.2 126,-0.1 -0.957 79.3 -92.8-170.5 170.5 11.7 32.6 30.1 185 189 A Y - 0 0 0 125,-1.8 2,-2.4 -2,-0.3 3,-0.3 -0.677 43.9-108.4 -92.3 154.1 12.6 29.3 31.6 186 190 A P + 0 0 1 0, 0.0 15,-0.1 0, 0.0 124,-0.1 -0.340 63.6 148.4 -79.2 63.5 10.2 26.5 31.3 187 191 A S + 0 0 1 -2,-2.4 14,-1.5 1,-0.2 123,-0.1 0.699 64.9 44.8 -74.0 -16.1 9.3 26.7 35.0 188 192 A Y S S+ 0 0 33 -3,-0.3 2,-0.8 12,-0.2 -1,-0.2 -0.521 72.2 174.4-127.2 66.2 5.6 25.5 34.6 189 193 A P > > - 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