==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUL-03 1OKJ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEASE YEAZ; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.ABERGEL,S.JEUDY,J.M.CLAVERIE . 879 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 643 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 15.1 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 . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 67 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 2 2 0 0 4 0 2 2 4 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 7 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 PARALLEL BRIDGES PER LADDER . 4 4 4 0 0 4 4 4 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 . 0 0 0 0 8 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 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 -1 A G 0 0 82 0, 0.0 2,-0.4 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0-155.3 88.9 80.6 30.0 2 0 A L - 0 0 55 2,-0.0 19,-2.2 55,-0.0 2,-0.4 -0.891 360.0-178.5-109.1 132.0 85.7 79.6 31.9 3 1 A R E +A 20 0A 44 -2,-0.4 55,-2.6 17,-0.2 56,-0.7 -0.990 2.5 178.1-132.4 128.1 82.4 81.6 31.6 4 2 A I E -Ab 19 59A 0 15,-1.9 15,-3.1 -2,-0.4 2,-0.6 -0.994 14.5-155.1-132.7 131.5 79.1 80.9 33.4 5 3 A L E -Ab 18 60A 0 54,-1.9 56,-2.9 -2,-0.4 2,-0.4 -0.918 15.7-161.6-106.7 121.5 75.9 82.9 33.3 6 4 A A E -Ab 17 61A 0 11,-3.2 11,-2.0 -2,-0.6 2,-0.4 -0.838 7.6-173.8-107.9 140.2 73.6 82.5 36.3 7 5 A I E -Ab 16 62A 1 54,-2.0 56,-2.0 -2,-0.4 2,-0.4 -0.996 2.3-178.9-134.1 137.6 69.9 83.3 36.5 8 6 A D E +A 15 0A 2 7,-2.3 7,-2.1 -2,-0.4 184,-0.2 -0.979 26.2 145.1-142.4 128.7 67.5 83.3 39.5 9 7 A T + 0 0 1 -2,-0.4 65,-0.1 54,-0.2 59,-0.1 0.101 44.6 115.3-139.6 14.4 63.8 84.1 39.8 10 8 A A S S+ 0 0 0 61,-0.2 58,-3.5 62,-0.2 62,-0.5 0.801 79.7 18.9 -60.7 -35.6 63.1 81.5 42.6 11 9 A T S S- 0 0 5 2,-0.7 20,-0.1 56,-0.2 56,-0.1 -0.341 111.7 -62.6-118.9-158.8 62.1 84.0 45.3 12 10 A E S S+ 0 0 42 -2,-0.1 19,-2.5 18,-0.1 2,-0.3 0.625 115.8 77.4 -65.2 -13.1 61.0 87.6 45.5 13 11 A A E - C 0 30A 0 17,-0.3 -2,-0.7 177,-0.0 2,-0.4 -0.785 61.6-166.6-102.7 145.9 64.4 88.5 44.0 14 12 A a E + C 0 29A 1 15,-2.0 15,-1.4 -2,-0.3 2,-0.3 -0.995 22.1 162.6-128.1 129.8 65.4 88.2 40.3 15 13 A S E -AC 8 28A 0 -7,-2.1 -7,-2.3 -2,-0.4 2,-0.3 -0.992 24.6-159.4-151.5 154.8 69.1 88.4 39.5 16 14 A V E -AC 7 27A 0 11,-1.1 11,-2.3 -2,-0.3 2,-0.3 -0.959 13.0-179.6-133.1 149.5 71.6 87.6 36.8 17 15 A A E -AC 6 26A 0 -11,-2.0 -11,-3.2 -2,-0.3 2,-0.5 -0.947 14.6-152.9-156.9 132.8 75.4 87.2 37.1 18 16 A L E -AC 5 25A 0 7,-2.7 7,-2.2 -2,-0.3 2,-0.6 -0.921 5.3-158.2-111.2 125.5 78.2 86.5 34.7 19 17 A W E +AC 4 24A 61 -15,-3.1 -15,-1.9 -2,-0.5 2,-0.4 -0.910 14.5 177.9-100.3 120.6 81.3 84.8 35.9 20 18 A N E > -AC 3 23A 32 3,-2.1 3,-2.3 -2,-0.6 2,-2.2 -0.780 66.8 -60.1-129.1 87.2 84.2 85.6 33.4 21 19 A D T 3 S- 0 0 98 -19,-2.2 -18,-0.1 -2,-0.4 3,-0.1 -0.097 121.5 -29.0 69.8 -41.0 87.5 84.0 34.5 22 20 A G T 3 S+ 0 0 51 -2,-2.2 2,-0.6 1,-0.2 -1,-0.3 0.210 114.4 107.2-177.4 -16.4 87.4 86.0 37.7 23 21 A T E < -C 20 0A 88 -3,-2.3 -3,-2.1 27,-0.0 2,-0.6 -0.722 53.1-159.5 -83.9 118.2 85.4 89.1 36.8 24 22 A V E -C 19 0A 66 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.888 10.8-177.6-103.2 121.3 82.0 89.0 38.2 25 23 A N E +C 18 0A 47 -7,-2.2 -7,-2.7 -2,-0.6 2,-0.3 -0.958 20.3 162.5-118.9 110.7 79.3 91.2 36.6 26 24 A A E -C 17 0A 37 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.882 28.3-161.4-133.0 161.8 76.0 91.1 38.4 27 25 A H E -C 16 0A 33 -11,-2.3 -11,-1.1 -2,-0.3 2,-0.3 -0.951 12.0-172.0-133.4 151.5 72.6 92.8 38.9 28 26 A F E +C 15 0A 48 -2,-0.3 2,-0.3 804,-0.2 -13,-0.2 -0.984 15.3 145.1-149.7 137.8 70.1 92.3 41.7 29 27 A E E -C 14 0A 32 -15,-1.4 -15,-2.0 -2,-0.3 2,-0.5 -0.963 49.7 -96.1-160.5 170.2 66.6 93.5 42.2 30 28 A L E -C 13 0A 16 -2,-0.3 -17,-0.3 -17,-0.2 -18,-0.1 -0.847 50.8-111.8 -95.0 131.0 63.2 92.7 43.7 31 29 A a - 0 0 6 -19,-2.5 4,-0.2 -2,-0.5 5,-0.1 -0.458 30.8-134.2 -68.1 133.6 60.9 91.3 40.9 32 30 A P - 0 0 20 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.014 43.4 -75.7 -73.4-176.2 58.0 93.6 40.1 33 31 A R S S+ 0 0 209 1,-0.2 2,-2.0 3,-0.1 3,-0.1 0.921 134.0 61.6 -51.5 -45.3 54.4 92.4 39.6 34 32 A E S > S- 0 0 19 1,-0.2 3,-1.9 2,-0.1 4,-0.3 -0.647 94.0-152.7 -82.8 87.0 55.5 91.0 36.3 35 33 A H T 3 S+ 0 0 29 -2,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.742 80.0 23.2 -28.3 -64.0 58.0 88.7 38.0 36 34 A T T >> S+ 0 0 9 1,-0.2 3,-2.1 -5,-0.1 4,-0.6 0.336 82.9 116.2 -97.4 9.1 60.7 88.2 35.3 37 35 A Q T <4 S+ 0 0 67 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.624 82.4 45.6 -50.4 -16.5 60.0 91.3 33.3 38 36 A R T 3> S+ 0 0 108 -3,-0.4 4,-2.7 -4,-0.3 -1,-0.3 0.552 89.3 84.5-105.7 -11.3 63.6 92.5 34.2 39 37 A I H <> S+ 0 0 0 -3,-2.1 4,-2.7 2,-0.2 5,-0.2 0.951 91.9 45.4 -58.8 -53.7 65.5 89.3 33.6 40 38 A L H X S+ 0 0 1 -4,-0.6 4,-2.9 1,-0.2 5,-0.3 0.944 113.4 49.9 -58.2 -47.3 66.1 89.8 29.9 41 39 A P H > S+ 0 0 29 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.947 111.7 49.7 -56.8 -42.7 67.0 93.5 30.3 42 40 A M H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.905 111.3 48.6 -60.2 -43.0 69.5 92.4 33.0 43 41 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.907 112.0 48.7 -64.2 -41.8 71.0 89.7 30.8 44 42 A Q H X S+ 0 0 49 -4,-2.9 4,-2.2 -5,-0.2 5,-0.3 0.921 112.4 48.4 -64.6 -43.0 71.3 92.2 27.9 45 43 A D H X S+ 0 0 76 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.910 113.5 46.9 -64.0 -43.2 73.0 94.8 30.1 46 44 A I H X S+ 0 0 3 -4,-2.4 4,-1.6 -5,-0.2 6,-0.3 0.932 113.5 46.5 -66.1 -46.4 75.5 92.3 31.6 47 45 A L H <>S+ 0 0 15 -4,-2.4 5,-1.7 -5,-0.2 4,-0.4 0.916 116.9 44.0 -63.3 -44.3 76.5 90.7 28.3 48 46 A T H ><5S+ 0 0 113 -4,-2.2 3,-1.0 -5,-0.2 -2,-0.2 0.946 114.0 48.4 -65.9 -50.4 77.0 94.1 26.5 49 47 A T H 3<5S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.779 115.2 45.5 -61.9 -29.1 78.8 95.8 29.4 50 48 A S T 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.515 106.6-128.3 -91.5 -6.6 81.1 92.8 29.8 51 49 A G T < 5 + 0 0 69 -3,-1.0 2,-0.2 -4,-0.4 -3,-0.2 0.723 61.3 145.0 66.4 19.1 81.6 92.6 26.0 52 50 A T < - 0 0 20 -5,-1.7 2,-0.4 -6,-0.3 -1,-0.2 -0.583 41.1-143.9 -91.5 152.7 80.7 88.9 26.3 53 51 A S > - 0 0 53 -2,-0.2 3,-2.8 1,-0.1 4,-0.2 -0.940 17.9-132.1-118.2 138.6 78.8 86.9 23.7 54 52 A L G > S+ 0 0 17 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.839 110.1 65.8 -52.9 -33.0 76.2 84.2 24.5 55 53 A T G 3 S+ 0 0 104 1,-0.3 -1,-0.3 253,-0.1 -3,-0.0 0.733 103.2 47.3 -62.3 -20.5 78.1 82.2 21.8 56 54 A D G < S+ 0 0 88 -3,-2.8 2,-0.3 2,-0.0 -1,-0.3 0.265 84.1 108.0-107.1 11.0 81.1 82.2 24.2 57 55 A I < - 0 0 4 -3,-1.6 -53,-0.2 -4,-0.2 3,-0.1 -0.655 55.8-152.1 -87.1 146.6 79.4 81.2 27.5 58 56 A N - 0 0 56 -55,-2.6 2,-0.3 1,-0.3 -54,-0.2 0.685 67.3 -7.5 -93.3 -20.5 80.2 77.7 28.8 59 57 A A E -b 4 0A 0 -56,-0.7 -54,-1.9 29,-0.2 2,-0.6 -0.933 58.3-122.7-173.4 148.5 77.1 76.9 30.8 60 58 A L E -bd 5 90A 2 29,-2.1 31,-2.4 -2,-0.3 2,-0.4 -0.882 22.8-161.3-103.5 123.4 73.9 78.3 32.1 61 59 A A E -bd 6 91A 0 -56,-2.9 -54,-2.0 -2,-0.6 2,-0.3 -0.826 12.2-173.0-100.8 141.7 73.3 78.1 35.9 62 60 A Y E -bd 7 92A 12 29,-2.6 31,-2.9 -2,-0.4 2,-0.6 -0.980 31.5-107.8-137.7 148.9 69.7 78.5 37.2 63 61 A G E - d 0 93A 3 -56,-2.0 -54,-0.2 -2,-0.3 31,-0.2 -0.640 28.5-171.3 -74.8 118.4 68.0 78.8 40.5 64 62 A R E - 0 0 43 29,-1.9 153,-2.3 -2,-0.6 30,-0.2 0.491 34.9-164.5 -90.2 -3.3 66.3 75.5 41.1 65 63 A G E - d 0 94A 2 28,-0.5 30,-2.1 1,-0.3 31,-0.4 -0.541 55.3-150.4 94.5-166.9 64.4 76.7 44.2 66 64 A P S S+ 0 0 9 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.538 79.7 82.0 -68.7 160.6 62.8 76.0 46.6 67 65 A G S S+ 0 0 21 -2,-0.2 2,-0.3 -3,-0.1 -56,-0.2 -0.842 84.8 1.9 174.1-135.5 60.9 79.3 46.5 68 66 A S > - 0 0 53 -58,-3.5 4,-1.8 -2,-0.2 5,-0.2 -0.612 57.8-139.8 -78.8 139.6 57.8 80.5 44.6 69 67 A F H > S+ 0 0 107 -2,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.906 102.4 38.3 -64.4 -44.2 56.3 77.9 42.3 70 68 A T H > S+ 0 0 28 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.948 114.7 53.0 -72.6 -51.7 55.6 80.4 39.5 71 69 A G H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.935 106.1 50.8 -49.7 -59.0 58.8 82.4 39.9 72 70 A V H X S+ 0 0 7 -4,-1.8 4,-2.0 -62,-0.5 -1,-0.2 0.874 107.4 52.4 -50.1 -48.8 61.3 79.5 39.7 73 71 A R H X S+ 0 0 14 -4,-1.0 4,-2.7 -5,-0.2 -1,-0.2 0.862 105.1 54.5 -61.3 -37.9 59.9 78.0 36.5 74 72 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.5 -1,-0.2 0.962 108.7 48.2 -62.4 -47.9 60.0 81.2 34.5 75 73 A G H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.896 112.2 49.9 -57.9 -41.5 63.7 81.7 35.3 76 74 A I H X S+ 0 0 5 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.933 108.4 52.4 -63.0 -45.8 64.5 78.2 34.3 77 75 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.908 109.8 49.1 -56.9 -42.5 62.6 78.5 31.1 78 76 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.962 111.8 48.7 -62.0 -48.7 64.6 81.6 30.2 79 77 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.876 110.6 51.3 -59.1 -40.6 67.8 79.8 31.0 80 78 A Q H X S+ 0 0 4 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.923 107.4 52.7 -63.6 -44.0 66.8 76.8 28.9 81 79 A G H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.920 114.2 42.7 -56.8 -44.7 66.0 79.0 25.9 82 80 A L H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.927 115.1 50.0 -67.3 -44.9 69.4 80.6 26.1 83 81 A A H <>S+ 0 0 0 -4,-2.9 5,-3.0 2,-0.2 4,-0.4 0.831 111.7 46.2 -64.2 -36.7 71.2 77.2 26.7 84 82 A L H ><5S+ 0 0 9 -4,-2.9 3,-0.6 3,-0.2 -1,-0.2 0.873 110.5 56.8 -72.5 -36.2 69.5 75.5 23.8 85 83 A G H 3<5S+ 0 0 41 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.884 118.2 30.3 -60.6 -41.0 70.3 78.6 21.8 86 84 A A T 3<5S- 0 0 25 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.291 109.4-117.0-102.3 9.5 74.0 78.2 22.5 87 85 A E T < 5 + 0 0 169 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.972 62.5 154.7 53.8 58.8 74.1 74.4 22.9 88 86 A L < - 0 0 24 -5,-3.0 123,-0.3 -8,-0.1 -1,-0.2 -0.873 46.1-116.6-123.1 151.2 75.1 74.6 26.5 89 87 A P - 0 0 45 0, 0.0 -29,-2.1 0, 0.0 2,-0.3 -0.440 32.7-133.4 -77.6 157.5 74.8 72.4 29.6 90 88 A M E -dE 60 209A 0 119,-2.7 119,-3.0 -31,-0.2 2,-0.4 -0.848 9.5-153.6-116.7 153.6 72.8 73.7 32.5 91 89 A I E -d 61 0A 0 -31,-2.4 -29,-2.6 -2,-0.3 2,-0.5 -0.967 8.6-149.0-128.2 114.2 73.6 73.8 36.3 92 90 A G E -d 62 0A 9 -2,-0.4 2,-0.5 115,-0.2 -29,-0.2 -0.709 16.7-166.1 -85.0 125.4 70.8 73.8 38.9 93 91 A V E -d 63 0A 1 -31,-2.9 -29,-1.9 -2,-0.5 -28,-0.5 -0.945 21.0-119.6-118.2 127.0 71.7 75.7 42.1 94 92 A S E > -d 65 0A 2 -2,-0.5 4,-2.0 -31,-0.2 5,-0.1 -0.295 11.1-143.1 -59.3 137.9 69.8 75.5 45.4 95 93 A T H > S+ 0 0 0 -30,-2.1 4,-1.5 2,-0.2 -1,-0.1 0.796 102.5 53.2 -73.5 -26.5 68.4 78.8 46.6 96 94 A L H > S+ 0 0 0 -31,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.955 110.9 43.6 -70.4 -52.0 69.2 77.8 50.1 97 95 A M H > S+ 0 0 13 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.899 110.9 58.1 -60.1 -39.7 72.9 77.0 49.4 98 96 A T H X S+ 0 0 2 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.898 107.3 45.5 -58.1 -42.5 73.0 80.2 47.4 99 97 A M H X S+ 0 0 1 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.872 111.3 53.7 -70.1 -33.4 72.0 82.2 50.4 100 98 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.5 0.973 108.0 48.6 -61.8 -52.5 74.5 80.2 52.5 101 99 A Q H X S+ 0 0 10 -4,-3.3 4,-0.9 1,-0.3 -1,-0.2 0.788 108.0 59.7 -56.3 -26.3 77.3 81.1 50.0 102 100 A G H >X S+ 0 0 0 -4,-1.1 4,-1.8 -5,-0.3 3,-0.5 0.928 101.4 50.2 -68.8 -45.6 75.9 84.6 50.4 103 101 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.5 -3,-0.5 6,-0.7 0.934 108.9 51.8 -58.2 -47.6 76.6 84.8 54.1 104 102 A W H 3< S+ 0 0 100 -4,-1.9 -1,-0.2 4,-0.3 -2,-0.2 0.756 109.3 52.7 -61.6 -23.8 80.2 83.6 53.6 105 103 A R H << S+ 0 0 87 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.850 113.2 40.1 -81.2 -36.9 80.6 86.4 51.1 106 104 A K H < S- 0 0 77 -4,-1.8 -2,-0.2 -3,-0.3 -3,-0.1 0.895 141.7 -8.4 -79.0 -44.2 79.4 89.3 53.2 107 105 A N S < S- 0 0 82 -4,-2.5 -3,-0.2 -5,-0.2 -4,-0.1 0.638 96.6 -90.2-116.4 -80.7 81.0 88.2 56.5 108 106 A G + 0 0 37 -5,-0.5 -4,-0.3 0, 0.0 -3,-0.1 0.265 55.7 167.2 170.2 15.8 82.7 84.8 56.6 109 107 A A + 0 0 9 -6,-0.7 3,-0.1 1,-0.2 52,-0.1 -0.109 11.0 171.5 -48.2 142.9 79.9 82.5 57.8 110 108 A T S S+ 0 0 66 1,-0.2 20,-2.0 -7,-0.1 2,-0.5 0.430 70.9 54.0-130.4 -17.7 80.8 78.8 57.4 111 109 A R E S-F 129 0B 61 18,-0.2 51,-2.4 49,-0.1 2,-0.3 -0.897 75.1-179.9-125.1 98.5 77.8 77.3 59.2 112 110 A V E -Fg 128 162B 0 16,-3.5 16,-2.6 -2,-0.5 2,-0.6 -0.760 23.8-156.8-106.0 147.6 74.6 78.6 57.8 113 111 A L E -Fg 127 163B 0 49,-2.4 51,-2.0 -2,-0.3 2,-0.4 -0.930 19.6-158.4-120.9 99.4 71.0 78.0 58.7 114 112 A A E +Fg 126 164B 0 12,-2.1 12,-1.5 -2,-0.6 2,-0.4 -0.693 15.7 173.1 -85.0 128.5 68.8 78.7 55.7 115 113 A A E -F 125 0B 0 49,-2.6 52,-2.4 -2,-0.4 53,-0.6 -0.942 7.4-174.2-140.2 115.0 65.1 79.5 56.3 116 114 A I E -F 124 0B 8 8,-2.6 8,-2.5 -2,-0.4 2,-0.6 -0.938 33.1-116.2-113.4 129.8 62.7 80.7 53.6 117 115 A D E +F 123 0B 29 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.463 49.6 176.4 -61.8 107.8 59.1 81.7 54.4 118 116 A A - 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0 0 42 66,-0.0 -4,-2.0 1,-0.0 2,-0.3 -0.813 53.3-124.3 -95.8 132.4 68.0 111.8 66.1 799 134 D W E -M 793 0H 12 -2,-0.5 2,-0.3 -6,-0.2 3,-0.2 -0.583 23.7-163.0 -79.5 130.0 68.0 111.8 62.3 800 135 D H E +M 792 0H 92 -8,-2.8 -8,-2.2 -2,-0.3 -1,-0.0 -0.827 59.6 62.8-109.8 148.4 68.4 115.2 60.5 801 136 D G > + 0 0 6 -2,-0.3 3,-2.0 -10,-0.2 -11,-0.5 0.549 46.7 135.3 115.9 13.2 67.6 115.8 56.9 802 137 D E G > S+ 0 0 92 1,-0.3 3,-1.3 -3,-0.2 -2,-0.1 0.801 73.0 63.4 -61.9 -25.3 63.8 115.2 56.7 803 138 D E G 3 S+ 0 0 157 1,-0.3 -1,-0.3 -13,-0.1 -3,-0.0 0.611 90.4 66.9 -74.8 -10.8 63.7 118.4 54.7 804 139 D T G < S+ 0 0 30 -3,-2.0 2,-0.3 -14,-0.2 -1,-0.3 0.369 70.5 122.4 -90.3 5.7 65.8 116.8 52.0 805 140 D E < + 0 0 21 -3,-1.3 2,-0.3 -16,-0.1 -16,-0.2 -0.524 36.8 148.5 -71.4 128.5 63.0 114.3 51.0 806 141 D A E -L 788 0H 16 -18,-2.4 -18,-3.5 -2,-0.3 2,-0.6 -0.981 50.6-118.5-155.4 164.4 62.1 114.6 47.4 807 142 D V E +L 787 0H 42 -2,-0.3 2,-0.3 75,-0.2 -20,-0.2 -0.956 47.6 173.0-108.1 121.2 60.9 112.8 44.3 808 143 D L E -L 786 0H 19 -22,-3.2 -22,-2.3 -2,-0.6 -2,-0.0 -0.948 38.6-110.2-135.6 155.0 63.6 113.1 41.6 809 144 D K >> - 0 0 90 -2,-0.3 3,-0.9 -24,-0.2 4,-0.8 -0.505 43.4-112.7 -72.8 146.9 64.5 111.8 38.2 810 145 D P H >> S+ 0 0 17 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.856 114.8 57.6 -51.5 -39.5 67.5 109.5 38.4 811 146 D E H 34 S+ 0 0 111 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.847 102.2 54.7 -61.1 -37.2 69.8 112.0 36.6 812 147 D I H <> S+ 0 0 48 -3,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.692 93.8 72.4 -72.4 -18.8 69.2 114.7 39.1 813 148 D V H < S+ 0 0 87 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.875 111.1 54.4 -64.8 -38.9 72.4 116.4 44.6 817 152 D M H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.826 96.5 65.7 -65.7 -31.1 75.1 114.0 45.8 818 153 D Q T 3< S+ 0 0 102 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.627 95.0 59.6 -66.7 -12.1 77.7 116.3 44.2 819 154 D Q T < S+ 0 0 151 -3,-1.4 -1,-0.3 -4,-0.3 2,-0.2 0.426 100.7 75.0 -92.2 -2.3 76.6 118.9 46.8 820 155 D L < - 0 0 33 -3,-2.2 2,-0.3 21,-0.2 -3,-0.0 -0.560 62.5-163.5-106.0 171.9 77.6 116.4 49.5 821 156 D S + 0 0 86 -2,-0.2 2,-0.1 2,-0.1 22,-0.1 -0.976 42.8 30.0-151.6 158.9 81.0 115.2 50.9 822 157 D G S S- 0 0 42 -2,-0.3 22,-1.3 20,-0.2 2,-0.4 -0.465 93.0 -29.7 93.2-163.6 82.4 112.4 52.9 823 158 D E E + n 0 844H 102 -2,-0.1 2,-0.3 20,-0.1 22,-0.2 -0.787 57.0 177.6 -99.4 138.8 81.4 108.7 53.3 824 159 D W E - n 0 845H 1 20,-2.0 22,-1.9 -2,-0.4 2,-0.3 -0.973 22.1-138.6-137.3 150.9 77.8 107.6 53.0 825 160 D V E -kn 775 846H 6 -51,-2.2 -49,-2.3 -2,-0.3 2,-0.4 -0.796 24.2-132.5-104.6 153.3 76.0 104.2 53.2 826 161 D T E +kn 776 847H 15 20,-2.3 22,-2.9 -2,-0.3 24,-0.5 -0.909 25.4 174.7-113.0 134.4 73.2 103.5 50.7 827 162 D V E +k 777 0H 1 -51,-1.9 -49,-2.6 -2,-0.4 24,-0.2 -0.951 35.1 50.3-133.2 153.8 69.8 102.1 51.5 828 163 D G S > S- 0 0 2 22,-2.7 3,-1.0 -2,-0.3 -49,-0.2 -0.119 84.1 -83.2 105.7 157.4 66.6 101.4 49.4 829 164 D T T >> S+ 0 0 24 22,-0.5 4,-2.3 1,-0.2 3,-1.6 0.658 110.7 82.8 -71.8 -16.3 65.6 99.7 46.1 830 165 D G H 3> S+ 0 0 0 -52,-2.8 4,-1.7 1,-0.3 -1,-0.2 0.822 85.6 56.5 -57.9 -32.3 66.6 102.9 44.2 831 166 D W H <4 S+ 0 0 31 -3,-1.0 -1,-0.3 -53,-0.6 6,-0.2 0.639 109.6 46.2 -74.8 -15.5 70.2 101.7 44.2 832 167 D Q H <4 S+ 0 0 38 -3,-1.6 -2,-0.2 -4,-0.2 -804,-0.2 0.871 110.3 50.2 -90.5 -47.8 69.2 98.5 42.5 833 168 D A H < S+ 0 0 24 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.849 123.8 31.3 -59.7 -36.8 67.0 100.0 39.9 834 169 D W S >< S- 0 0 65 -4,-1.7 3,-1.5 -5,-0.2 -1,-0.3 -0.698 73.9-170.9-126.9 80.7 69.7 102.4 38.9 835 170 D P T 3 S+ 0 0 57 0, 0.0 -3,-0.1 0, 0.0 -808,-0.0 -0.353 82.6 36.1 -62.6 158.2 73.2 101.1 39.4 836 171 D D T > S+ 0 0 121 -5,-0.1 3,-2.2 1,-0.1 -22,-0.1 0.577 76.5 134.9 73.6 6.4 75.6 104.0 38.9 837 172 D L T < S+ 0 0 8 -3,-1.5 -23,-0.1 1,-0.3 -1,-0.1 0.902 80.0 38.3 -53.3 -38.5 73.0 106.2 40.5 838 173 D G T > S+ 0 0 11 -4,-0.2 3,-1.3 -7,-0.1 5,-0.4 0.257 89.9 129.9 -96.3 12.1 75.9 107.6 42.5 839 174 D K T < S+ 0 0 127 -3,-2.2 -25,-0.0 1,-0.3 0, 0.0 -0.329 75.7 14.6 -65.4 150.6 78.4 107.6 39.6 840 175 D E T 3 S+ 0 0 131 1,-0.1 -1,-0.3 3,-0.1 -22,-0.1 0.746 95.1 116.9 55.7 25.4 80.3 110.8 39.0 841 176 D S S < S- 0 0 11 -3,-1.3 -21,-0.2 2,-0.2 -2,-0.1 0.774 74.0-134.1 -89.9 -30.8 79.1 111.9 42.4 842 177 D G + 0 0 81 -4,-0.3 2,-0.3 1,-0.3 -20,-0.2 0.686 61.8 126.2 83.2 20.0 82.6 112.2 43.9 843 178 D L - 0 0 23 -5,-0.4 2,-0.6 -22,-0.1 -1,-0.3 -0.824 65.1-122.5-114.2 151.2 81.5 110.3 47.1 844 179 D V E -n 823 0H 78 -22,-1.3 -20,-2.0 -2,-0.3 2,-0.4 -0.809 42.1-166.9 -87.4 121.5 82.9 107.3 48.9 845 180 D L E +n 824 0H 60 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.919 18.9 179.6-122.6 143.9 79.9 104.9 49.0 846 181 D R E -n 825 0H 113 -22,-1.9 -20,-2.3 -2,-0.4 2,-0.3 -0.985 38.9-102.1-135.6 144.3 79.1 101.7 50.9 847 182 D D E -n 826 0H 98 -2,-0.3 -20,-0.1 -22,-0.2 -22,-0.1 -0.496 21.1-156.0 -65.7 124.8 76.0 99.4 50.8 848 183 D G - 0 0 0 -22,-2.9 -1,-0.2 -2,-0.3 -21,-0.2 0.565 31.0-133.0 -78.0 -7.1 74.0 100.2 54.0 849 184 D E + 0 0 59 -23,-0.5 2,-0.4 1,-0.2 -22,-0.1 0.858 68.1 117.2 55.8 42.4 72.5 96.7 53.5 850 185 D V + 0 0 8 -24,-0.5 -22,-2.7 1,-0.1 -1,-0.2 -0.949 30.0 168.9-138.2 113.1 68.9 97.7 54.0 851 186 D L + 0 0 41 -2,-0.4 -22,-0.5 -24,-0.2 -21,-0.1 0.805 67.4 19.1 -94.0 -36.9 66.6 97.2 51.0 852 187 D L S S- 0 0 18 -24,-0.2 -1,-0.2 -23,-0.1 -24,-0.1 -0.923 84.7 -97.3-134.7 158.8 63.2 97.9 52.6 853 188 D P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -91,-0.1 -0.340 31.9-153.9 -72.5 157.7 61.9 99.5 55.7 854 189 D A >> - 0 0 8 -93,-0.2 3,-2.0 1,-0.1 4,-0.6 -0.999 19.1-132.6-136.0 131.3 61.0 97.5 58.8 855 190 D A H >> S+ 0 0 1 -2,-0.4 3,-1.5 1,-0.3 4,-1.1 0.818 104.8 65.4 -49.6 -37.5 58.5 98.4 61.5 856 191 D E H 34 S+ 0 0 55 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.840 99.4 53.3 -58.8 -29.1 61.0 97.6 64.3 857 192 D D H <> S+ 0 0 5 -3,-2.0 4,-0.8 1,-0.2 -1,-0.3 0.690 99.6 63.5 -77.9 -16.9 63.1 100.5 63.0 858 193 D M H S+ 0 0 43 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.939 117.3 44.5 -56.5 -45.3 63.1 104.3 68.0 861 196 D I H X S+ 0 0 3 -4,-0.8 4,-2.5 1,-0.2 -2,-0.2 0.942 113.0 50.6 -63.4 -48.0 61.9 107.2 65.8 862 197 D A H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.893 107.6 54.1 -57.0 -41.5 58.3 106.9 67.1 863 198 D C H X S+ 0 0 22 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.889 110.2 46.3 -61.7 -40.6 59.5 107.0 70.7 864 199 D Q H X S+ 0 0 57 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.924 112.4 50.6 -67.9 -43.6 61.5 110.2 70.1 865 200 D M H <>S+ 0 0 25 -4,-2.5 5,-3.6 1,-0.2 4,-0.3 0.868 109.3 50.9 -62.7 -36.9 58.5 111.8 68.3 866 201 D F H ><5S+ 0 0 70 -4,-2.4 3,-0.8 3,-0.2 -1,-0.2 0.884 110.1 48.1 -69.2 -38.6 56.1 110.9 71.1 867 202 D A H 3<5S+ 0 0 89 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.871 113.2 50.2 -67.6 -34.4 58.4 112.5 73.7 868 203 D E T 3<5S- 0 0 92 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.484 116.1-117.6 -80.8 -5.1 58.6 115.5 71.4 869 204 D G T < 5 + 0 0 53 -3,-0.8 2,-1.6 -4,-0.3 -3,-0.2 0.710 64.9 146.9 75.6 19.5 54.9 115.7 71.1 870 205 D K < + 0 0 117 -5,-3.6 -115,-0.3 -6,-0.2 2,-0.2 -0.443 29.9 123.5 -89.6 65.9 55.1 115.1 67.3 871 206 D T - 0 0 60 -2,-1.6 2,-0.3 -117,-0.1 -117,-0.2 -0.640 46.2-145.2-116.6 174.5 51.8 113.1 67.0 872 207 D V B -I 753 0G 36 -119,-2.9 -119,-3.4 -2,-0.2 5,-0.1 -0.984 21.3-110.9-142.5 149.9 48.6 113.4 65.0 873 208 D A > - 0 0 42 -2,-0.3 3,-1.6 -121,-0.2 4,-0.2 -0.401 37.9-108.3 -74.4 159.8 44.9 112.7 65.7 874 209 D V G > S+ 0 0 18 1,-0.3 3,-1.9 -123,-0.2 -391,-0.1 0.915 117.4 62.8 -53.8 -45.3 43.4 109.8 63.7 875 210 D E G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -392,-0.1 -392,-0.1 0.669 110.4 37.8 -56.9 -19.9 41.4 112.3 61.6 876 211 D H G < S+ 0 0 106 -3,-1.6 2,-0.5 -395,-0.0 -1,-0.3 0.205 79.3 124.0-120.1 16.9 44.6 113.8 60.2 877 212 D A < + 0 0 1 -3,-1.9 -134,-0.1 -4,-0.2 -397,-0.0 -0.665 40.3 147.0 -75.6 123.3 46.8 110.8 59.8 878 213 D E - 0 0 66 -2,-0.5 -400,-0.1 -399,-0.0 -2,-0.0 -0.991 48.0 -86.1-156.9 163.2 47.8 110.8 56.2 879 214 D P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -151,-0.2 -0.292 48.0-102.1 -71.7 157.7 50.6 109.9 53.7 880 215 D V - 0 0 41 -153,-2.4 2,-0.5 1,-0.0 0, 0.0 -0.526 29.5-145.6 -77.8 143.9 53.4 112.3 52.9 881 216 D Y 0 0 106 -2,-0.2 -153,-0.0 1,-0.2 -1,-0.0 -0.964 360.0 360.0-115.2 120.8 53.2 114.2 49.6 882 217 D L 0 0 86 -2,-0.5 -75,-0.2 -76,-0.1 -1,-0.2 0.799 360.0 360.0-105.8 360.0 56.4 114.8 47.8