==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-AUG-05 2AU9 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.R.SAMYGINA,A.N.POPOV,S.M.AVAEVA,H.D.BARTUNIK . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 24.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 S > 0 0 135 0, 0.0 3,-0.6 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 167.3 57.3 91.9 8.0 2 2 A L G > + 0 0 36 1,-0.3 3,-4.0 2,-0.2 35,-0.1 0.775 360.0 70.8 -71.5 -22.3 57.0 89.2 10.7 3 3 A L G 3 S+ 0 0 66 1,-0.3 -1,-0.3 33,-0.1 34,-0.0 0.865 89.5 64.4 -74.1 4.0 55.6 87.1 8.0 4 4 A N G < S+ 0 0 123 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.539 75.0 113.1 -95.2 8.5 59.2 87.3 7.0 5 5 A V < - 0 0 25 -3,-4.0 13,-0.1 2,-0.0 -3,-0.0 -0.677 67.7-132.5 -81.3 126.7 60.2 85.4 10.1 6 6 A P - 0 0 64 0, 0.0 53,-0.3 0, 0.0 10,-0.2 -0.307 16.0-119.2 -66.5 156.4 61.6 82.0 9.0 7 7 A A S S- 0 0 5 1,-0.3 9,-2.5 51,-0.2 2,-0.3 0.851 86.0 -45.8 -59.5 -35.1 60.5 78.9 10.7 8 8 A G - 0 0 19 7,-0.3 3,-0.4 1,-0.1 -1,-0.3 -0.939 43.7-103.2 175.3 165.0 64.1 78.5 11.6 9 9 A K S S+ 0 0 131 -2,-0.3 6,-0.2 1,-0.2 -1,-0.1 0.778 116.9 2.2 -75.6 -26.2 67.8 78.7 10.7 10 10 A D B >> S-A 14 0A 92 4,-2.3 4,-2.2 -3,-0.1 3,-0.8 -0.488 99.6-122.0-157.7 74.9 68.1 74.8 10.5 11 11 A L T 34 S+ 0 0 38 -3,-0.4 4,-0.1 1,-0.3 -3,-0.1 -0.371 81.4 12.4 -63.8 149.8 64.7 73.1 11.2 12 12 A P T 34 S+ 0 0 17 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.986 132.6 40.3 -89.6 3.1 63.9 71.1 13.2 13 13 A E T <4 S+ 0 0 92 -3,-0.8 2,-0.5 1,-0.2 -2,-0.2 0.784 121.9 38.6 -77.7 -29.3 66.9 71.4 15.5 14 14 A D B < S+A 10 0A 15 -4,-2.2 -4,-2.3 74,-0.1 2,-0.3 -0.955 80.5 160.8-129.7 101.4 67.3 75.3 15.2 15 15 A I E -B 87 0B 1 72,-2.4 72,-2.9 -2,-0.5 2,-0.4 -0.806 35.7-130.3-123.0 163.4 64.0 77.1 15.2 16 16 A Y E -B 86 0B 61 -9,-2.5 2,-0.5 -2,-0.3 43,-0.4 -0.941 19.8-157.7-109.5 138.2 62.5 80.6 15.8 17 17 A V E -B 85 0B 0 68,-2.3 68,-2.3 -2,-0.4 2,-0.5 -0.977 8.3-146.3-118.5 124.6 59.5 81.0 18.0 18 18 A V E -BC 84 57B 0 39,-2.7 39,-2.0 -2,-0.5 2,-0.4 -0.758 24.0-137.2 -85.3 120.3 57.2 84.0 17.7 19 19 A I E + C 0 56B 0 64,-3.0 63,-3.4 -2,-0.5 37,-0.3 -0.727 33.5 164.8 -87.9 131.5 56.0 84.8 21.2 20 20 A E E + 0 0 12 35,-2.8 36,-0.2 -2,-0.4 10,-0.2 0.685 69.5 29.3-107.1 -34.1 52.3 85.7 21.7 21 21 A I E S- C 0 55B 3 34,-2.4 34,-2.9 59,-0.1 -1,-0.3 -0.990 75.8-132.3-133.3 126.7 51.9 85.4 25.5 22 22 A P > - 0 0 21 0, 0.0 3,-0.8 0, 0.0 29,-0.3 -0.378 34.8 -95.0 -74.3 156.8 54.5 85.9 28.2 23 23 A A T 3 S+ 0 0 10 1,-0.2 31,-0.1 50,-0.2 30,-0.0 -0.423 106.8 10.0 -57.8 144.5 55.1 83.4 31.0 24 24 A N T 3 S+ 0 0 102 27,-2.4 -1,-0.2 1,-0.2 2,-0.2 0.801 99.4 141.3 58.5 39.1 53.2 84.3 34.3 25 25 A A < - 0 0 32 -3,-0.8 -1,-0.2 1,-0.2 26,-0.1 -0.477 59.9 -74.0-105.7 170.4 51.2 87.1 32.6 26 26 A D - 0 0 123 -2,-0.2 2,-2.4 1,-0.1 -1,-0.2 -0.305 60.0 -95.4 -57.7 153.0 47.6 88.4 32.9 27 27 A P S S+ 0 0 57 0, 0.0 18,-2.3 0, 0.0 2,-0.7 -0.173 76.4 133.7 -79.5 56.1 45.1 86.1 31.2 28 28 A I E -I 44 0C 38 -2,-2.4 2,-1.4 16,-0.2 16,-0.2 -0.896 47.0-149.8-102.8 116.5 44.9 87.8 27.9 29 29 A K E -I 43 0C 11 14,-2.7 13,-2.8 -2,-0.7 14,-1.0 -0.635 19.6-172.4 -93.5 87.7 45.1 85.3 25.1 30 30 A Y E -I 41 0C 63 -2,-1.4 2,-0.3 11,-0.2 11,-0.2 -0.568 5.5-175.7 -78.9 145.2 46.8 87.1 22.3 31 31 A E E -I 40 0C 46 9,-2.7 9,-2.5 -2,-0.2 2,-0.3 -0.990 28.5-116.3-135.8 135.7 47.2 85.5 18.8 32 32 A I E -I 39 0C 25 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.547 30.1-125.6 -69.1 133.3 49.0 86.9 15.8 33 33 A D > - 0 0 34 5,-3.2 4,-2.5 -2,-0.3 5,-0.2 -0.639 10.0-145.7 -76.9 124.4 46.7 87.6 12.9 34 34 A K T 4 S+ 0 0 171 -2,-0.4 -1,-0.1 2,-0.2 -2,-0.0 0.792 94.5 48.2 -62.1 -29.7 47.8 85.9 9.7 35 35 A E T 4 S+ 0 0 153 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.948 127.0 19.6 -78.2 -55.9 46.6 88.7 7.5 36 36 A S T 4 S- 0 0 66 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.762 89.7-129.8 -92.8 -17.6 48.0 91.7 9.1 37 37 A G < + 0 0 18 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.533 65.1 136.3 73.7 3.6 50.9 90.2 11.4 38 38 A A - 0 0 43 -5,-0.2 -5,-3.2 -6,-0.1 2,-0.7 -0.484 64.0-108.7 -82.5 151.8 49.3 92.2 14.2 39 39 A L E -I 32 0C 62 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.735 40.9-172.2 -78.0 112.7 48.7 90.9 17.8 40 40 A F E -I 31 0C 112 -9,-2.5 -9,-2.7 -2,-0.7 2,-0.8 -0.768 29.8-115.5-103.8 149.1 45.0 90.4 18.3 41 41 A V E -I 30 0C 69 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.775 28.2-176.7 -77.2 107.6 43.2 89.6 21.5 42 42 A D E - 0 0 76 -13,-2.8 2,-0.3 -2,-0.8 -1,-0.2 0.913 63.7 -44.2 -67.4 -46.4 41.7 86.1 20.8 43 43 A R E -I 29 0C 34 -14,-1.0 -14,-2.7 -3,-0.2 2,-0.6 -0.971 48.4-102.0-171.3 164.9 40.0 86.2 24.2 44 44 A F E -I 28 0C 146 -2,-0.3 -16,-0.2 -16,-0.2 -3,-0.0 -0.936 50.8-124.3 -95.7 114.2 40.2 87.0 27.9 45 45 A M - 0 0 13 -18,-2.3 97,-0.1 -2,-0.6 96,-0.0 -0.295 12.5-145.2 -65.9 147.1 40.6 83.5 29.5 46 46 A S S S+ 0 0 66 95,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.717 71.1 76.9 -90.2 -23.6 38.0 82.7 32.1 47 47 A T S S- 0 0 17 94,-0.6 2,-1.8 1,-0.1 94,-0.1 -0.605 88.2-113.0 -86.2 159.4 40.0 80.6 34.6 48 48 A A S S+ 0 0 114 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.478 77.2 120.4 -85.4 64.5 42.5 82.1 37.1 49 49 A M - 0 0 38 -2,-1.8 2,-0.3 92,-0.1 -4,-0.1 -0.886 46.1-157.0-128.6 157.3 45.5 80.5 35.4 50 50 A F - 0 0 104 -2,-0.3 -24,-0.1 -23,-0.1 -27,-0.1 -0.955 33.8 -96.8-133.1 155.3 48.7 81.7 33.7 51 51 A Y - 0 0 9 -29,-0.3 -27,-2.4 -2,-0.3 -26,-0.2 -0.488 27.2-143.1 -70.6 127.9 51.0 80.1 31.1 52 52 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.714 83.1 17.8 -68.1 -17.8 53.9 78.4 32.8 53 53 A C S S- 0 0 2 -31,-0.1 -29,-0.1 21,-0.1 -32,-0.0 -0.906 104.3 -73.9-136.9 166.0 56.3 79.4 30.0 54 54 A N E - D 0 73B 0 19,-1.5 19,-2.5 -2,-0.3 2,-0.4 -0.337 56.2-147.8 -59.6 146.3 56.2 82.0 27.3 55 55 A Y E +CD 21 72B 4 -34,-2.9 -35,-2.8 17,-0.2 -34,-2.4 -0.974 36.9 104.8-130.5 135.3 53.9 80.8 24.6 56 56 A G E -CD 19 71B 0 15,-2.6 15,-2.2 -2,-0.4 2,-0.3 -0.704 47.4 -89.6-169.0-138.1 53.8 81.2 20.8 57 57 A Y E -CD 18 70B 12 -39,-2.0 -39,-2.7 13,-0.3 2,-0.5 -0.952 24.9-103.4-153.6 166.4 54.4 79.4 17.5 58 58 A I > - 0 0 0 11,-1.6 3,-0.7 -2,-0.3 11,-0.3 -0.914 44.5-125.7 -95.0 122.0 56.8 78.5 14.7 59 59 A N T 3 S+ 0 0 12 -2,-0.5 -43,-0.1 -43,-0.4 3,-0.1 -0.231 90.1 27.4 -64.3 154.9 56.1 80.7 11.6 60 60 A H T 3 S+ 0 0 90 1,-0.3 2,-0.3 -54,-0.1 -1,-0.2 0.817 99.9 109.3 58.9 36.7 55.4 78.9 8.3 61 61 A T < - 0 0 6 -3,-0.7 2,-0.3 111,-0.1 -1,-0.3 -0.848 51.4-155.6-129.2 166.6 54.0 75.8 10.0 62 62 A L - 0 0 36 106,-1.5 109,-0.1 -2,-0.3 2,-0.1 -0.922 2.9-164.4-149.0 121.8 50.5 74.4 10.3 63 63 A S > - 0 0 3 4,-3.3 3,-1.2 -2,-0.3 39,-0.1 -0.365 42.3 -99.1 -84.4 173.4 48.9 72.1 12.9 64 64 A L T 3 S+ 0 0 93 37,-0.5 37,-0.1 1,-0.3 38,-0.1 0.481 120.7 68.3 -74.2 -6.6 45.7 70.2 12.5 65 65 A D T 3 S- 0 0 18 36,-0.3 -1,-0.3 2,-0.3 35,-0.1 0.389 119.0-110.8 -93.7 7.1 44.0 72.9 14.5 66 66 A G S < S+ 0 0 53 -3,-1.2 -2,-0.1 1,-0.3 34,-0.1 0.480 87.6 98.0 76.8 12.5 44.6 75.2 11.5 67 67 A D S S- 0 0 63 1,-0.1 -4,-3.3 3,-0.0 -2,-0.3 -0.844 86.3 -82.8-115.9 158.8 47.1 77.3 13.3 68 68 A P - 0 0 39 0, 0.0 -6,-0.2 0, 0.0 -9,-0.1 -0.193 67.4 -77.7 -53.9 151.6 51.0 77.2 13.2 69 69 A V - 0 0 0 -11,-0.3 -11,-1.6 1,-0.1 2,-0.2 -0.284 52.2-119.4 -59.7 137.6 52.5 74.7 15.7 70 70 A D E -De 57 104B 7 33,-0.7 35,-2.6 -13,-0.2 2,-0.4 -0.538 28.5-169.1 -87.7 143.1 52.5 75.8 19.3 71 71 A V E -De 56 105B 0 -15,-2.2 -15,-2.6 -2,-0.2 2,-0.4 -0.992 16.2-155.2-137.0 138.1 55.6 76.3 21.4 72 72 A L E -De 55 106B 0 33,-2.9 35,-2.2 -2,-0.4 -17,-0.2 -0.938 17.4-168.3-104.4 132.6 56.3 76.8 25.1 73 73 A V E -D 54 0B 0 -19,-2.5 -19,-1.5 -2,-0.4 2,-0.3 -0.944 9.6-150.0-128.0 106.1 59.7 78.5 25.8 74 74 A P + 0 0 15 0, 0.0 -21,-0.1 0, 0.0 43,-0.0 -0.571 26.5 167.1 -73.2 138.2 61.1 78.7 29.3 75 75 A T - 0 0 28 -2,-0.3 4,-0.0 33,-0.1 -21,-0.0 -0.956 47.8-114.4-142.4 165.9 63.2 81.7 30.0 76 76 A P S S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.781 105.3 23.4 -72.0 -24.9 64.7 83.4 33.0 77 77 A Y S S- 0 0 184 -3,-0.0 -54,-0.1 0, 0.0 0, 0.0 -0.980 98.7 -93.6-139.1 140.5 62.6 86.5 32.4 78 78 A P - 0 0 82 0, 0.0 2,-0.2 0, 0.0 -54,-0.0 -0.282 41.8-127.2 -62.6 144.5 59.2 86.8 30.5 79 79 A L - 0 0 43 -58,-0.1 6,-0.0 1,-0.1 3,-0.0 -0.492 21.0-101.5 -90.3 158.8 59.4 87.8 26.9 80 80 A Q > - 0 0 142 -2,-0.2 3,-2.1 1,-0.1 -61,-0.2 -0.572 40.1-107.5 -75.6 130.9 57.6 90.6 25.1 81 81 A P T 3 S+ 0 0 33 0, 0.0 -61,-0.2 0, 0.0 3,-0.1 -0.407 108.6 27.6 -57.2 137.2 54.5 89.6 23.0 82 82 A G T 3 S+ 0 0 37 -63,-3.4 -62,-0.1 1,-0.4 2,-0.1 0.294 94.8 120.3 87.2 -3.2 55.5 89.9 19.3 83 83 A S < - 0 0 37 -3,-2.1 -64,-3.0 -64,-0.2 2,-0.4 -0.459 56.3-132.9 -85.8 166.7 59.3 89.2 19.9 84 84 A V E -B 18 0B 63 -66,-0.2 2,-0.4 -2,-0.1 -66,-0.2 -0.970 16.5-166.0-125.5 135.7 61.1 86.2 18.4 85 85 A T E -B 17 0B 13 -68,-2.3 -68,-2.3 -2,-0.4 2,-0.3 -0.986 19.3-132.0-129.8 130.3 63.4 83.8 20.2 86 86 A R E +B 16 0B 46 -2,-0.4 24,-2.1 -70,-0.2 2,-0.3 -0.632 43.7 165.4 -74.1 129.3 65.9 81.3 18.7 87 87 A C E -BF 15 109B 0 -72,-2.9 -72,-2.4 -2,-0.3 -14,-0.0 -0.894 38.0-127.9-145.4 176.9 65.4 77.9 20.4 88 88 A R E - F 0 108B 53 20,-2.5 20,-2.6 -2,-0.3 -74,-0.1 -0.996 32.4-120.7-128.6 120.6 66.1 74.1 20.4 89 89 A P E + F 0 107B 3 0, 0.0 18,-0.3 0, 0.0 73,-0.1 -0.428 35.8 165.3 -67.0 138.9 63.2 71.6 20.7 90 90 A V E - 0 0 0 16,-2.7 68,-0.4 1,-0.4 33,-0.3 0.446 59.0 -16.2-128.2 -7.9 63.5 69.2 23.8 91 91 A G E - F 0 106B 0 15,-1.2 15,-2.6 67,-0.2 -1,-0.4 -0.970 53.0-132.2 177.9 173.4 60.0 67.6 24.2 92 92 A V E -GF 156 105B 0 64,-2.2 64,-2.5 -2,-0.3 2,-0.7 -0.981 8.7-144.1-153.0 135.8 56.3 67.7 23.4 93 93 A L E -GF 155 104B 1 11,-2.8 11,-2.5 -2,-0.3 2,-0.3 -0.899 26.8-145.9 -96.3 111.0 53.1 67.5 25.2 94 94 A K E +G 154 0B 40 60,-2.9 59,-2.5 -2,-0.7 60,-1.1 -0.591 36.2 145.4 -77.1 134.6 50.7 65.6 22.9 95 95 A M E -G 152 0B 0 -2,-0.3 7,-3.0 57,-0.3 2,-0.4 -0.991 37.1-140.9-163.2 161.2 47.1 66.8 23.2 96 96 A T E -GH 151 101B 25 55,-2.5 55,-2.7 -2,-0.3 2,-0.2 -0.943 20.0-179.2-123.7 141.9 43.9 67.4 21.2 97 97 A D E > -GH 150 100B 7 3,-2.2 3,-1.8 -2,-0.4 53,-0.2 -0.778 49.9 -76.7-135.4-173.5 41.5 70.3 21.6 98 98 A E T 3 S+ 0 0 65 51,-1.2 3,-0.1 1,-0.3 52,-0.1 0.708 128.3 51.5 -61.2 -19.5 38.2 71.5 20.1 99 99 A A T 3 S- 0 0 52 1,-0.3 -1,-0.3 3,-0.0 2,-0.2 0.540 122.2 -82.9 -94.8 -6.0 40.0 72.7 16.9 100 100 A G E < S-H 97 0B 22 -3,-1.8 -3,-2.2 -35,-0.1 -1,-0.3 -0.776 77.7 -17.9 136.2-175.4 42.1 69.4 16.2 101 101 A E E +H 96 0B 71 -5,-0.2 -37,-0.5 -2,-0.2 -36,-0.3 -0.412 64.1 179.1 -60.2 138.9 45.3 67.7 17.3 102 102 A D - 0 0 3 -7,-3.0 -1,-0.1 -38,-0.1 -6,-0.1 -0.407 7.6-166.5-151.0 64.0 47.2 70.4 18.9 103 103 A A - 0 0 0 1,-0.1 -33,-0.7 -9,-0.1 2,-0.6 -0.052 14.2-139.7 -58.7 151.2 50.6 69.5 20.3 104 104 A K E -eF 70 93B 0 -11,-2.5 -11,-2.8 -35,-0.1 -33,-0.2 -0.909 18.0-157.9-116.2 102.6 52.5 71.7 22.6 105 105 A L E -eF 71 92B 0 -35,-2.6 -33,-2.9 -2,-0.6 2,-0.5 -0.495 4.8-148.3 -72.5 153.5 56.3 71.7 21.8 106 106 A V E +eF 72 91B 0 -15,-2.6 -16,-2.7 -35,-0.2 -15,-1.2 -0.997 22.6 173.3-119.3 127.0 58.7 72.8 24.5 107 107 A A E - F 0 89B 0 -35,-2.2 3,-0.1 -2,-0.5 -90,-0.0 -0.997 18.1-145.2-136.4 136.8 61.8 74.5 23.1 108 108 A V E - F 0 88B 0 -20,-2.6 -20,-2.5 -2,-0.4 -33,-0.1 -0.696 36.7 -80.2-102.1 155.8 64.6 76.1 25.1 109 109 A P E - F 0 87B 7 0, 0.0 -22,-0.3 0, 0.0 8,-0.2 -0.259 56.6-103.6 -50.7 134.3 66.6 79.1 24.3 110 110 A H >> - 0 0 30 -24,-2.1 3,-2.1 -95,-0.2 4,-1.6 -0.184 28.8-110.4 -58.2 147.8 69.5 78.3 21.9 111 111 A S T 34 S+ 0 0 60 1,-0.3 -1,-0.1 2,-0.2 7,-0.1 0.778 117.3 63.3 -54.1 -31.6 73.0 78.1 23.3 112 112 A K T 34 S+ 0 0 159 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.751 106.2 43.6 -64.4 -27.9 73.9 81.3 21.5 113 113 A L T <4 S- 0 0 88 -3,-2.1 2,-0.3 1,-0.4 -2,-0.2 0.743 134.7 -16.5 -85.2 -34.4 71.3 83.2 23.6 114 114 A S < - 0 0 44 -4,-1.6 -1,-0.4 -5,-0.1 3,-0.3 -0.939 42.2-141.5-167.3 147.7 72.2 81.6 26.8 115 115 A K S > S+ 0 0 169 -2,-0.3 3,-1.4 1,-0.2 4,-0.4 0.562 83.0 95.6 -85.2 -7.8 74.1 78.6 28.3 116 116 A E T 3 S+ 0 0 102 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.717 91.0 35.5 -56.3 -38.9 71.4 78.2 31.0 117 117 A Y T > S+ 0 0 19 -3,-0.3 3,-1.9 -8,-0.2 -1,-0.3 0.370 84.1 100.9-103.1 2.4 69.5 75.5 29.0 118 118 A D T < S+ 0 0 52 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.866 78.4 59.9 -56.7 -35.3 72.3 73.7 27.3 119 119 A H T 3 S+ 0 0 128 -4,-0.4 2,-1.1 -3,-0.2 -1,-0.3 0.659 84.8 88.1 -66.7 -15.9 72.0 70.9 29.9 120 120 A I < + 0 0 7 -3,-1.9 -12,-0.1 1,-0.2 -1,-0.1 -0.755 46.6 151.9 -89.1 98.2 68.4 70.3 28.9 121 121 A K + 0 0 135 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.744 61.2 5.8 -96.6 -32.3 68.8 67.8 26.1 122 122 A D S > S- 0 0 56 35,-0.1 3,-2.1 36,-0.1 4,-0.4 -0.887 88.1 -82.4-149.6 176.5 65.6 65.8 26.2 123 123 A V G > S+ 0 0 9 -33,-0.3 3,-1.4 1,-0.3 -32,-0.1 0.802 119.8 61.9 -64.3 -31.3 62.3 65.7 27.9 124 124 A N G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -34,-0.1 4,-0.1 0.721 96.5 62.2 -68.4 -18.9 63.5 63.9 31.0 125 125 A D G < S+ 0 0 74 -3,-2.1 -1,-0.3 -35,-0.2 -2,-0.2 0.605 81.3 97.4 -82.6 -13.1 65.8 66.9 31.7 126 126 A L S < S- 0 0 5 -3,-1.4 -5,-0.0 -4,-0.4 5,-0.0 -0.572 94.6 -93.5 -69.8 142.4 62.9 69.3 32.1 127 127 A P > - 0 0 74 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.316 28.3-131.4 -56.1 137.8 62.0 69.8 35.7 128 128 A E H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.890 106.3 54.0 -57.5 -41.1 59.2 67.5 36.8 129 129 A L H > S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.918 106.9 49.4 -61.4 -45.4 57.3 70.4 38.3 130 130 A L H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 112.4 48.0 -60.4 -45.2 57.3 72.5 35.2 131 131 A K H X S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.906 113.0 48.4 -61.4 -41.5 56.1 69.5 33.1 132 132 A A H X S+ 0 0 60 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.892 111.1 51.0 -64.7 -42.6 53.3 68.8 35.6 133 133 A Q H X S+ 0 0 86 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.895 109.9 49.5 -61.9 -39.9 52.3 72.5 35.6 134 134 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.935 112.9 45.6 -66.7 -46.6 52.1 72.6 31.8 135 135 A A H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.923 114.3 49.2 -64.8 -42.4 49.9 69.5 31.7 136 136 A H H X S+ 0 0 97 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.887 110.0 52.4 -64.9 -39.3 47.7 70.8 34.5 137 137 A F H >X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 3,-0.6 0.949 112.5 43.2 -56.9 -56.1 47.4 74.2 32.7 138 138 A F H 3< S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.882 112.2 55.7 -66.9 -31.6 46.3 72.6 29.4 139 139 A E H 3< S+ 0 0 90 -4,-2.1 -1,-0.2 -5,-0.2 11,-0.2 0.816 125.3 18.7 -62.8 -30.9 43.9 70.2 31.3 140 140 A H H X< S+ 0 0 63 -4,-1.5 3,-2.1 -3,-0.6 4,-0.2 0.590 93.7 90.5-121.6 -16.0 42.1 73.0 33.1 141 141 A Y T 3< S+ 0 0 5 -4,-2.8 -94,-0.6 1,-0.3 3,-0.3 0.728 96.5 45.3 -65.8 -21.7 42.5 76.4 31.4 142 142 A K T > S+ 0 0 10 -4,-0.4 3,-1.5 -5,-0.2 6,-0.3 0.240 80.4 109.3 -97.5 9.4 39.4 75.9 29.2 143 143 A D T < S+ 0 0 99 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.699 82.6 40.2 -59.5 -26.5 37.3 74.6 32.1 144 144 A L T 3 S+ 0 0 120 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.246 97.5 87.0-109.4 12.6 35.1 77.7 32.2 145 145 A E S X S- 0 0 25 -3,-1.5 3,-2.0 3,-0.2 -1,-0.1 -0.911 75.4-137.0-117.9 106.1 34.7 78.2 28.5 146 146 A K T 3 S+ 0 0 213 -2,-0.6 3,-0.1 1,-0.3 -2,-0.1 -0.357 87.9 20.3 -61.5 134.8 31.9 76.3 27.0 147 147 A G T 3 S+ 0 0 67 1,-0.3 2,-0.4 -2,-0.0 -1,-0.3 0.417 104.1 99.9 86.5 -7.7 32.7 74.5 23.7 148 148 A K < + 0 0 73 -3,-2.0 2,-0.3 -6,-0.3 -1,-0.3 -0.949 48.4 147.2-109.9 137.2 36.4 74.8 24.4 149 149 A W - 0 0 104 -2,-0.4 -51,-1.2 -3,-0.1 2,-0.3 -0.984 29.6-144.7-163.3 165.7 38.1 71.6 25.8 150 150 A V E -G 97 0B 28 -2,-0.3 2,-0.5 -11,-0.2 -53,-0.2 -0.996 7.3-161.7-141.6 143.0 41.3 69.5 25.8 151 151 A K E -G 96 0B 119 -55,-2.7 -55,-2.5 -2,-0.3 2,-0.5 -0.949 21.1-152.1-121.5 108.6 42.4 65.9 25.9 152 152 A V E -G 95 0B 42 -2,-0.5 -57,-0.3 -57,-0.2 -58,-0.0 -0.707 13.7-176.3 -81.4 127.3 46.0 65.7 27.1 153 153 A E E - 0 0 90 -59,-2.5 -58,-0.2 -2,-0.5 -1,-0.1 0.461 44.4 -95.4-105.1 -8.9 47.7 62.6 25.6 154 154 A G E -G 94 0B 26 -60,-1.1 -60,-2.9 2,-0.0 2,-0.3 -0.209 38.8 -56.6 116.7 162.0 51.2 62.8 27.3 155 155 A W E -G 93 0B 69 -62,-0.2 2,-0.3 -2,-0.1 -62,-0.2 -0.553 44.6-179.5 -78.0 139.2 54.8 63.8 27.2 156 156 A E E -G 92 0B 81 -64,-2.5 -64,-2.2 -2,-0.3 -2,-0.0 -0.872 25.7 -92.8-135.0 167.3 57.1 62.7 24.4 157 157 A N > - 0 0 65 -2,-0.3 4,-2.0 -66,-0.2 -66,-0.2 0.084 38.6 -90.6 -85.1-176.3 60.8 63.2 23.7 158 158 A A H > S+ 0 0 2 -68,-0.4 4,-3.0 1,-0.2 -67,-0.2 0.858 123.6 53.6 -65.0 -35.2 62.9 65.6 21.7 159 159 A E H > S+ 0 0 144 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 108.5 48.4 -70.7 -35.6 62.8 63.3 18.6 160 160 A A H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 111.2 52.0 -64.3 -36.0 59.0 63.3 18.7 161 161 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.939 109.8 48.4 -62.3 -46.0 59.1 67.0 19.0 162 162 A K H X S+ 0 0 65 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.875 109.0 53.0 -59.4 -40.5 61.4 67.3 16.0 163 163 A A H X S+ 0 0 62 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.878 108.7 50.7 -60.8 -42.9 59.1 65.0 14.0 164 164 A E H X S+ 0 0 27 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.926 108.3 51.7 -65.4 -40.6 56.1 67.2 14.8 165 165 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.954 111.4 47.5 -57.8 -49.8 58.0 70.4 13.7 166 166 A V H X S+ 0 0 65 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.945 112.4 49.0 -57.4 -45.9 58.9 68.7 10.3 167 167 A A H X S+ 0 0 43 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.855 112.0 48.2 -62.4 -38.7 55.3 67.5 9.8 168 168 A S H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -106,-1.5 0.839 112.1 49.3 -73.4 -35.5 53.9 71.0 10.6 169 169 A F H X S+ 0 0 73 -4,-2.4 4,-1.2 -108,-0.2 -2,-0.2 0.920 111.8 47.6 -63.5 -47.3 56.3 72.6 8.3 170 170 A E H X S+ 0 0 74 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.855 108.8 57.2 -64.6 -30.5 55.5 70.2 5.5 171 171 A R H < S+ 0 0 57 -4,-1.5 4,-0.2 -5,-0.3 -1,-0.2 0.959 105.3 47.0 -72.4 -35.0 51.9 70.8 6.1 172 172 A A H < S+ 0 0 37 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.791 112.2 55.6 -68.8 -23.5 52.0 74.6 5.6 173 173 A K H < S+ 0 0 129 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.882 112.7 37.2 -71.7 -51.1 54.0 73.8 2.5 174 174 A N < 0 0 122 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.105 360.0 360.0-103.3 27.7 51.4 71.5 0.8 175 175 A K 0 0 191 -3,-0.4 -3,-0.1 -4,-0.2 -2,-0.1 0.366 360.0 360.0-125.5 360.0 48.0 73.1 1.7