==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-FEB-07 2JGQ . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR C.-H.CHU,Y.-J.LAI,Y.-J.SUN . 462 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 0 0.0 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-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 . 39 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 4 4 0 2 0 0 1 2 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 4 6 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A T 0 0 115 0, 0.0 2,-0.1 0, 0.0 231,-0.1 0.000 360.0 360.0 360.0 155.0 71.0 23.8 56.2 2 3 A K - 0 0 49 227,-0.1 2,-0.3 1,-0.1 210,-0.2 -0.338 360.0 -86.4 -95.6-177.2 72.3 20.6 54.4 3 4 A I E -a 212 0A 6 208,-2.1 210,-1.9 -2,-0.1 2,-0.4 -0.654 30.1-175.4 -98.3 149.6 75.1 20.2 51.9 4 5 A A E -ab 213 36A 0 31,-2.2 33,-2.6 -2,-0.3 2,-0.4 -0.958 8.3-176.0-141.3 117.9 75.2 20.6 48.1 5 6 A M E -ab 214 37A 0 208,-2.4 210,-3.9 -2,-0.4 2,-0.5 -0.968 13.9-147.9-122.8 131.3 78.4 19.8 46.1 6 7 A A E -ab 215 38A 0 31,-3.0 33,-3.3 -2,-0.4 2,-0.7 -0.837 6.5-166.2-100.2 122.5 78.9 20.2 42.4 7 8 A N E - b 0 39A 1 208,-3.0 212,-0.2 -2,-0.5 213,-0.1 -0.915 5.4-176.5-107.4 107.1 81.2 17.8 40.5 8 9 A F > - 0 0 0 31,-1.9 3,-2.1 -2,-0.7 4,-0.4 0.663 16.9-175.1 -75.2 -17.1 82.0 19.2 37.1 9 10 A K T 3 - 0 0 7 30,-0.5 -1,-0.2 1,-0.2 291,-0.2 -0.320 63.1 -46.5 53.9-134.0 83.9 16.1 36.2 10 11 A S B 3 S+I 299 0B 0 289,-2.0 289,-1.9 1,-0.1 -1,-0.2 -0.199 119.2 93.9-121.6 40.4 85.5 16.8 32.8 11 12 A A < + 0 0 23 -3,-2.1 -2,-0.1 287,-0.3 -1,-0.1 0.584 58.5 89.5-108.0 -14.6 82.3 18.2 31.2 12 13 A M S S- 0 0 3 -4,-0.4 29,-0.1 -3,-0.2 32,-0.1 -0.736 72.6-127.2 -93.6 128.2 82.6 21.9 31.6 13 14 A P > - 0 0 25 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.363 29.1-114.6 -65.2 152.8 84.3 24.2 29.1 14 15 A I H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.908 113.7 44.3 -55.9 -48.5 87.0 26.4 30.7 15 16 A F H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.923 113.0 51.7 -65.0 -42.9 85.3 29.7 30.0 16 17 A K H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 110.1 49.7 -61.2 -39.7 81.9 28.4 31.1 17 18 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.922 108.9 51.4 -65.2 -46.4 83.4 27.1 34.4 18 19 A H H X S+ 0 0 48 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.899 112.9 44.4 -59.0 -44.3 85.1 30.4 35.2 19 20 A A H X S+ 0 0 42 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.933 108.9 58.9 -65.4 -45.2 82.0 32.4 34.7 20 21 A Y H X S+ 0 0 5 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.926 107.4 46.4 -46.9 -54.6 80.0 29.9 36.7 21 22 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.927 113.6 46.9 -56.6 -51.7 82.2 30.4 39.7 22 23 A K H X S+ 0 0 125 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.923 114.9 47.1 -58.3 -46.4 82.1 34.2 39.5 23 24 A E H >X S+ 0 0 90 -4,-3.3 4,-2.2 2,-0.2 3,-0.6 0.936 111.4 50.0 -60.3 -50.6 78.3 34.2 39.0 24 25 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.933 106.6 56.6 -55.1 -46.9 77.8 31.7 41.9 25 26 A E H 3< S+ 0 0 32 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.820 110.8 44.3 -55.2 -33.1 80.0 33.9 44.1 26 27 A K H << S+ 0 0 177 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.825 113.2 49.8 -82.6 -31.7 77.7 36.9 43.4 27 28 A T H < S+ 0 0 65 -4,-2.2 -2,-0.2 -3,-0.1 -3,-0.2 0.799 107.0 62.2 -76.9 -30.4 74.4 34.9 43.9 28 29 A L S < S- 0 0 8 -4,-2.4 25,-0.1 -5,-0.2 24,-0.1 -0.454 70.3-142.6 -96.2 169.4 75.4 33.4 47.2 29 30 A K > - 0 0 104 23,-0.2 3,-2.0 -2,-0.1 4,-0.4 -0.654 37.8 -86.9-121.6 177.1 76.2 34.9 50.6 30 31 A P G > S+ 0 0 83 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.856 120.0 66.0 -54.8 -36.4 78.6 34.1 53.4 31 32 A Q G 3 S+ 0 0 127 1,-0.3 3,-0.1 2,-0.1 21,-0.1 0.599 95.9 58.1 -65.2 -7.5 76.2 31.6 55.0 32 33 A H G X> S+ 0 0 42 -3,-2.0 4,-2.9 1,-0.1 3,-1.8 0.606 78.9 95.3 -94.6 -12.9 76.6 29.4 52.0 33 34 A F T <4 S+ 0 0 77 -3,-1.9 21,-0.2 -4,-0.4 -2,-0.1 0.861 95.3 28.8 -44.0 -54.6 80.4 29.1 52.4 34 35 A D T 34 S+ 0 0 85 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.298 122.0 54.7 -94.4 10.4 80.4 25.8 54.4 35 36 A R T <4 S+ 0 0 69 -3,-1.8 -31,-2.2 1,-0.2 2,-0.5 0.712 102.4 53.6-108.9 -34.7 77.1 24.5 52.8 36 37 A V E < -b 4 0A 0 -4,-2.9 18,-3.0 -33,-0.2 2,-0.3 -0.910 62.6-175.3-112.4 131.5 77.9 24.7 49.1 37 38 A F E -bc 5 54A 6 -33,-2.6 -31,-3.0 -2,-0.5 2,-0.4 -0.940 7.3-164.8-124.9 144.8 80.9 23.1 47.4 38 39 A V E -bc 6 55A 0 16,-2.8 18,-2.2 -2,-0.3 -31,-0.2 -0.995 3.2-172.2-132.6 126.9 82.1 23.3 43.8 39 40 A F E +b 7 0A 0 -33,-3.3 -31,-1.9 -2,-0.4 -30,-0.5 -0.789 15.9 172.6-119.9 85.2 84.7 20.9 42.3 40 41 A P - 0 0 0 0, 0.0 18,-0.6 0, 0.0 5,-0.1 -0.360 39.0 -90.4 -85.3 172.2 85.7 22.0 38.8 41 42 A D > - 0 0 3 16,-0.1 4,-1.6 -29,-0.1 264,-0.1 -0.293 47.9 -91.3 -76.7 168.0 88.5 20.5 36.7 42 43 A F T 4 S+ 0 0 12 1,-0.2 -1,-0.1 2,-0.2 263,-0.1 0.805 128.0 41.1 -49.6 -36.6 92.1 21.8 36.9 43 44 A F T 4 S+ 0 0 17 1,-0.2 -1,-0.2 3,-0.0 262,-0.0 0.884 113.1 53.3 -78.7 -41.3 91.5 24.2 34.0 44 45 A G T 4 S+ 0 0 0 -32,-0.1 -23,-0.2 -27,-0.1 -2,-0.2 0.624 93.5 85.4 -71.0 -16.5 88.1 25.4 35.1 45 46 A L < - 0 0 9 -4,-1.6 -27,-0.1 -5,-0.1 -4,-0.1 -0.142 61.0-156.5 -78.5 179.3 89.0 26.3 38.6 46 47 A L - 0 0 33 34,-0.1 3,-0.1 -28,-0.0 -2,-0.0 -0.961 40.9 -63.5-150.3 161.1 90.4 29.7 39.7 47 48 A P - 0 0 82 0, 0.0 2,-1.4 0, 0.0 3,-0.2 -0.167 64.7-103.2 -47.6 143.1 92.4 31.0 42.6 48 49 A N S S+ 0 0 33 32,-2.9 -3,-0.0 1,-0.2 6,-0.0 -0.581 73.7 131.7 -79.7 94.8 90.4 30.5 45.7 49 50 A S + 0 0 86 -2,-1.4 2,-0.3 -3,-0.1 -1,-0.2 0.274 36.5 122.2-119.2 0.7 89.1 34.0 46.6 50 51 A F + 0 0 14 -3,-0.2 5,-0.2 1,-0.1 -28,-0.0 -0.509 31.2 172.9 -74.9 130.9 85.5 32.8 47.0 51 52 A L S S+ 0 0 120 -2,-0.3 -18,-0.3 -26,-0.1 -1,-0.1 0.372 74.7 60.6-115.5 -0.4 83.9 33.4 50.4 52 53 A H S S+ 0 0 40 1,-0.2 2,-0.3 -20,-0.1 -23,-0.2 0.452 114.1 12.2-108.6 -2.6 80.4 32.3 49.5 53 54 A F S S- 0 0 0 -25,-0.1 2,-0.5 -18,-0.1 -16,-0.2 -0.967 81.7 -96.6-163.7 163.8 81.1 28.6 48.6 54 55 A T E -c 37 0A 11 -18,-3.0 -16,-2.8 -2,-0.3 2,-0.5 -0.809 28.1-151.4 -99.4 127.2 83.9 26.1 49.0 55 56 A L E +c 38 0A 1 -2,-0.5 28,-0.6 -5,-0.2 29,-0.3 -0.811 25.8 160.6 -96.4 127.2 86.3 25.5 46.1 56 57 A G - 0 0 0 -18,-2.2 2,-0.3 -2,-0.5 29,-0.2 -0.871 32.5-117.5-138.0 170.8 87.9 22.0 45.8 57 58 A V B -d 85 0A 0 27,-2.0 29,-1.8 -2,-0.3 -16,-0.1 -0.806 15.8-131.6-111.9 156.1 89.7 19.8 43.2 58 59 A Q S S- 0 0 2 -18,-0.6 2,-0.3 -2,-0.3 31,-0.2 0.587 83.5 -9.0 -79.7 -13.9 88.5 16.5 41.8 59 60 A N + 0 0 5 244,-0.1 2,-0.3 28,-0.1 -1,-0.1 -0.980 56.0 178.1-172.3 167.7 91.9 14.8 42.3 60 61 A A - 0 0 0 -2,-0.3 13,-0.2 26,-0.1 11,-0.0 -0.942 35.5-103.3-173.5 158.0 95.6 15.3 43.2 61 62 A Y B -j 73 0C 14 11,-3.4 2,-2.5 -2,-0.3 13,-0.5 -0.803 38.2-116.7 -94.2 135.6 98.7 13.2 43.6 62 63 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 11,-0.1 -0.234 81.8 89.3 -70.1 54.7 99.8 12.6 47.3 63 64 A R S S- 0 0 131 -2,-2.5 11,-2.0 9,-0.2 12,-0.3 -0.979 79.1-122.0-145.8 154.7 103.1 14.5 47.2 64 65 A D S S- 0 0 58 -2,-0.3 11,-2.2 1,-0.3 12,-0.4 0.927 82.8 -54.6 -61.6 -45.4 104.2 18.1 47.8 65 66 A C S S+ 0 0 59 9,-0.1 2,-0.3 10,-0.1 -1,-0.3 -0.929 80.7 103.8 177.6 169.8 105.7 18.4 44.3 66 67 A G B S-K 243 0D 16 177,-2.0 2,-2.0 -2,-0.3 177,-1.8 -0.950 72.6 -8.9 142.3-161.8 108.2 16.6 42.1 67 68 A A S S+ 0 0 35 -2,-0.3 2,-0.3 175,-0.2 175,-0.1 -0.494 75.6 128.6 -78.5 75.7 108.7 14.2 39.2 68 69 A F > - 0 0 18 -2,-2.0 3,-2.5 3,-0.2 -1,-0.1 -0.646 51.2-146.7-132.2 73.3 105.0 13.2 38.7 69 70 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.3 -2,-0.1 -0.121 79.4 5.7 -46.3 122.0 104.4 13.8 35.0 70 71 A G T 3 S+ 0 0 4 1,-0.3 -1,-0.3 172,-0.1 2,-0.2 0.306 107.4 113.8 86.2 -7.8 100.8 14.8 34.3 71 72 A E < - 0 0 8 -3,-2.5 2,-0.4 220,-0.1 -1,-0.3 -0.588 60.1-135.8 -99.1 158.4 99.9 15.1 38.0 72 73 A I - 0 0 2 -2,-0.2 -11,-3.4 -3,-0.1 2,-0.2 -0.919 25.0-158.5-110.2 135.1 99.0 18.0 40.2 73 74 A T B >> -j 61 0C 0 -2,-0.4 4,-1.2 -13,-0.2 3,-0.6 -0.675 29.0 -99.5-114.3 169.2 100.6 18.1 43.7 74 75 A S H 3> S+ 0 0 3 -11,-2.0 4,-2.3 -13,-0.5 -10,-0.2 0.759 112.9 61.5 -58.9 -34.1 99.7 19.8 47.0 75 76 A K H 3> S+ 0 0 92 -11,-2.2 4,-2.2 -12,-0.3 -1,-0.2 0.914 104.1 52.4 -61.4 -38.7 102.0 22.8 46.8 76 77 A H H <> S+ 0 0 5 -3,-0.6 4,-1.8 -12,-0.4 -1,-0.2 0.932 109.9 47.5 -59.3 -47.2 100.1 23.9 43.7 77 78 A L H <>S+ 0 0 0 -4,-1.2 5,-3.1 1,-0.2 4,-0.3 0.863 109.8 53.2 -62.9 -36.5 96.8 23.7 45.6 78 79 A E H ><5S+ 0 0 113 -4,-2.3 3,-0.7 3,-0.2 -1,-0.2 0.876 107.2 52.3 -65.6 -37.4 98.3 25.6 48.5 79 80 A E H 3<5S+ 0 0 56 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.860 112.1 45.0 -66.2 -35.8 99.3 28.3 46.0 80 81 A L T 3<5S- 0 0 16 -4,-1.8 -32,-2.9 -5,-0.1 -1,-0.3 0.444 113.4-122.5 -85.9 -1.9 95.7 28.4 44.8 81 82 A K T < 5 + 0 0 128 -3,-0.7 2,-0.4 -4,-0.3 -3,-0.2 0.817 63.1 144.8 62.6 33.3 94.5 28.4 48.4 82 83 A I < + 0 0 2 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.868 18.0 163.1-102.7 133.8 92.5 25.2 47.8 83 84 A H + 0 0 94 -28,-0.6 33,-2.5 -2,-0.4 2,-0.4 -0.042 46.6 88.5-142.8 36.7 92.2 22.7 50.6 84 85 A T E + e 0 116A 1 -29,-0.3 -27,-2.0 31,-0.2 2,-0.3 -0.998 51.3 178.7-136.0 136.4 89.3 20.5 49.7 85 86 A L E -de 57 117A 0 31,-2.2 33,-2.6 -2,-0.4 2,-0.4 -0.994 27.7-130.7-147.1 148.4 89.5 17.3 47.7 86 87 A L E - e 0 118A 2 -29,-1.8 2,-0.4 -2,-0.3 33,-0.2 -0.751 29.1-175.6 -91.9 138.9 87.6 14.4 46.2 87 88 A I E + e 0 119A 2 31,-2.1 33,-2.9 -2,-0.4 -28,-0.1 -0.997 58.6 9.4-139.6 134.1 89.0 10.9 46.8 88 89 A G + 0 0 1 -2,-0.4 5,-0.1 1,-0.2 -1,-0.1 0.633 69.7 173.5 79.9 14.3 87.8 7.6 45.5 89 90 A H >> - 0 0 3 -31,-0.2 4,-2.0 1,-0.1 3,-1.1 -0.274 43.3-115.6 -54.6 142.0 85.2 8.7 43.1 90 91 A S H 3> S+ 0 0 13 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.830 112.7 58.7 -49.7 -39.9 83.9 5.7 41.2 91 92 A E H 3>>S+ 0 0 21 1,-0.2 4,-1.5 2,-0.2 5,-0.9 0.865 109.0 44.1 -62.2 -36.1 85.2 7.0 37.8 92 93 A R H <45S+ 0 0 5 -3,-1.1 6,-1.4 3,-0.2 4,-0.4 0.874 110.8 53.5 -77.3 -37.5 88.8 7.1 39.1 93 94 A R H <5S+ 0 0 50 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.917 125.0 25.6 -60.9 -42.2 88.6 3.7 40.9 94 95 A T H ><5S+ 0 0 71 -4,-2.2 3,-0.6 -5,-0.2 -2,-0.2 0.961 129.3 32.7 -87.2 -65.8 87.5 2.1 37.6 95 96 A L T 3<5S+ 0 0 67 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.829 132.8 31.9 -66.6 -33.0 88.6 4.0 34.5 96 97 A L T 3 - 0 0 30 -2,-0.9 4,-2.3 1,-0.1 5,-0.2 -0.181 26.9-101.3 -73.1 169.3 93.3 0.8 44.0 100 101 A P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.882 122.9 52.9 -59.6 -39.1 92.4 0.9 47.7 101 102 A S H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.913 109.3 48.5 -63.9 -41.8 96.1 1.2 48.7 102 103 A F H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 111.7 49.5 -64.3 -43.0 96.5 4.2 46.4 103 104 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.868 109.7 51.8 -64.6 -35.8 93.4 5.8 47.8 104 105 A K H X S+ 0 0 90 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.878 106.0 55.1 -67.9 -36.8 94.7 5.2 51.3 105 106 A E H X S+ 0 0 97 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.893 110.7 45.9 -61.1 -40.1 97.9 6.9 50.3 106 107 A K H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.926 111.9 50.0 -70.0 -44.5 95.9 9.9 49.2 107 108 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.964 112.9 45.9 -58.6 -55.0 93.7 10.0 52.4 108 109 A D H X S+ 0 0 74 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.907 115.8 47.1 -55.9 -44.8 96.7 9.8 54.8 109 110 A F H X S+ 0 0 36 -4,-1.9 4,-0.7 -5,-0.3 -2,-0.2 0.963 116.8 39.7 -63.7 -54.4 98.6 12.5 52.8 110 111 A F H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 -1,-0.2 0.777 112.1 57.9 -69.7 -24.2 95.9 15.0 52.5 111 112 A K H ><5S+ 0 0 65 -4,-2.4 3,-2.3 -5,-0.3 -1,-0.2 0.918 103.1 54.1 -68.3 -41.3 94.6 14.3 56.0 112 113 A S H 3<5S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.715 105.8 53.4 -65.5 -18.0 98.1 15.3 57.2 113 114 A K T 3<5S- 0 0 70 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.256 117.4-117.7 -96.5 8.4 97.7 18.6 55.3 114 115 A N T < 5 + 0 0 123 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.723 56.3 164.9 62.4 24.3 94.4 19.1 57.1 115 116 A F < - 0 0 14 -5,-2.6 2,-0.7 1,-0.1 -31,-0.2 -0.294 46.2-113.9 -68.6 154.9 92.4 19.0 53.9 116 117 A K E -e 84 0A 53 -33,-2.5 -31,-2.2 37,-0.1 2,-0.5 -0.842 41.1-154.8 -87.8 122.4 88.6 18.6 54.0 117 118 A I E -ef 85 153A 0 35,-2.3 37,-2.7 -2,-0.7 2,-0.9 -0.898 19.4-163.2-109.8 124.1 88.3 15.2 52.3 118 119 A V E -ef 86 154A 0 -33,-2.6 -31,-2.1 -2,-0.5 2,-0.6 -0.848 20.0-164.6-101.7 96.1 85.1 14.0 50.5 119 120 A Y E -ef 87 155A 0 35,-2.7 37,-2.4 -2,-0.9 2,-0.3 -0.743 6.0-147.1 -88.6 122.8 85.7 10.2 50.4 120 121 A C E + f 0 156A 2 -33,-2.9 2,-0.3 -2,-0.6 37,-0.2 -0.670 22.1 166.7 -95.6 140.6 83.5 8.4 47.9 121 122 A I E + f 0 157A 5 35,-2.3 37,-3.1 -2,-0.3 2,-0.2 -0.925 6.3 144.2-140.9 164.2 82.1 4.8 48.3 122 123 A G - 0 0 3 -2,-0.3 2,-0.2 35,-0.2 35,-0.0 -0.752 33.9-120.0 165.8 148.1 79.4 2.8 46.5 123 124 A E - 0 0 0 -2,-0.2 37,-1.5 1,-0.1 38,-0.7 -0.644 27.7-109.1-105.5 162.3 78.6 -0.7 45.3 124 125 A E > - 0 0 88 -2,-0.2 4,-1.9 36,-0.2 3,-0.5 -0.439 35.7-107.0 -81.3 161.5 78.0 -2.2 41.9 125 126 A L H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 118.4 60.2 -57.6 -38.7 74.5 -3.3 40.9 126 127 A T H > S+ 0 0 83 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.888 104.9 47.5 -57.2 -43.2 75.5 -7.0 41.2 127 128 A T H >> S+ 0 0 27 -3,-0.5 3,-1.7 1,-0.2 4,-0.5 0.944 109.9 53.6 -62.7 -47.2 76.5 -6.6 44.9 128 129 A R H >< S+ 0 0 44 -4,-1.9 3,-1.2 1,-0.3 -2,-0.2 0.897 107.1 53.0 -52.1 -43.8 73.2 -4.8 45.5 129 130 A E H 3< S+ 0 0 139 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.592 95.8 67.6 -71.7 -11.9 71.4 -7.8 43.9 130 131 A K H << S- 0 0 155 -3,-1.7 -1,-0.2 -4,-0.6 2,-0.2 0.618 111.2-103.3 -84.4 -11.3 73.2 -10.3 46.2 131 132 A G S+ 0 0 157 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 126.6 52.8 -62.5 -46.8 71.6 -6.9 52.3 133 134 A K H > S+ 0 0 176 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 107.8 52.3 -57.8 -43.2 74.6 -8.7 53.8 134 135 A A H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 111.7 45.5 -62.4 -39.4 76.6 -8.4 50.6 135 136 A V H X S+ 0 0 9 -4,-1.5 4,-2.7 -8,-0.2 5,-0.3 0.926 113.1 49.3 -71.3 -44.2 76.0 -4.6 50.5 136 137 A K H X S+ 0 0 95 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.940 113.6 47.0 -60.0 -46.5 76.9 -4.1 54.2 137 138 A E H X S+ 0 0 127 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.943 114.0 46.6 -61.1 -49.1 80.1 -6.2 53.8 138 139 A F H X S+ 0 0 68 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.965 116.7 42.7 -59.2 -54.4 81.2 -4.4 50.7 139 140 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.914 113.5 51.2 -60.4 -43.9 80.5 -0.9 52.0 140 141 A S H X S+ 0 0 28 -4,-2.8 4,-0.8 -5,-0.3 -1,-0.2 0.838 108.4 53.9 -64.7 -28.5 82.0 -1.6 55.4 141 142 A E H < S+ 0 0 134 -4,-1.9 4,-0.5 -5,-0.2 3,-0.2 0.864 106.6 51.4 -72.2 -33.8 85.1 -3.0 53.7 142 143 A Q H >< S+ 0 0 20 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.862 108.0 51.8 -69.5 -35.6 85.5 0.3 51.7 143 144 A L H >< S+ 0 0 3 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.679 94.7 71.4 -74.6 -17.8 85.3 2.4 54.9 144 145 A E T 3< S+ 0 0 157 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.758 84.4 72.0 -67.2 -24.2 88.0 0.3 56.6 145 146 A N T < S+ 0 0 28 -3,-0.8 -1,-0.2 -4,-0.5 2,-0.2 0.640 100.6 42.9 -67.7 -17.0 90.4 1.9 54.2 146 147 A I S < S- 0 0 17 -3,-1.2 2,-0.9 -4,-0.1 -42,-0.1 -0.609 90.0 -94.3-124.8-176.8 90.3 5.3 56.0 147 148 A D > - 0 0 69 -2,-0.2 3,-1.6 1,-0.1 -3,-0.1 -0.858 31.4-168.6-101.6 99.4 90.2 7.0 59.4 148 149 A L T 3 S+ 0 0 33 -2,-0.9 37,-0.6 1,-0.3 -1,-0.1 0.566 82.2 58.2 -65.7 -9.5 86.5 7.5 60.1 149 150 A N T 3 + 0 0 105 35,-0.1 -1,-0.3 3,-0.0 35,-0.0 0.407 67.3 119.2-103.5 1.2 87.3 9.8 63.0 150 151 A Y X - 0 0 18 -3,-1.6 3,-1.4 1,-0.2 35,-0.1 -0.559 62.7-142.2 -65.4 114.5 89.3 12.4 61.2 151 152 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.689 94.6 59.7 -56.5 -20.2 87.0 15.5 61.9 152 153 A N T 3 S+ 0 0 46 -37,-0.1 -35,-2.3 36,-0.1 2,-0.3 0.025 83.2 120.5 -99.0 31.0 87.5 17.0 58.4 153 154 A L E < -f 117 0A 2 -3,-1.4 2,-0.4 -37,-0.2 -35,-0.2 -0.745 38.6-176.5 -97.8 140.0 86.0 13.9 56.7 154 155 A V E -f 118 0A 2 -37,-2.7 -35,-2.7 -2,-0.3 2,-0.5 -0.999 13.6-151.1-131.9 129.6 82.9 13.8 54.5 155 156 A V E -fg 119 190A 1 34,-2.4 36,-2.9 -2,-0.4 2,-0.6 -0.910 6.3-164.1-107.8 129.1 81.6 10.6 53.1 156 157 A A E -fg 120 191A 0 -37,-2.4 -35,-2.3 -2,-0.5 2,-0.7 -0.944 5.2-157.3-113.8 114.8 79.7 10.5 49.8 157 158 A Y E +fg 121 192A 2 34,-3.1 36,-2.3 -2,-0.6 -35,-0.2 -0.825 19.9 167.4 -93.5 116.5 77.7 7.4 49.1 158 159 A E - 0 0 9 -37,-3.1 36,-0.2 -2,-0.7 5,-0.1 -0.872 30.4-140.7-129.9 98.2 77.2 7.0 45.4 159 160 A P >> - 0 0 0 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.415 19.1-132.8 -58.4 130.6 75.8 3.6 44.3 160 161 A I G >4 S+ 0 0 36 -37,-1.5 3,-1.0 1,-0.3 -36,-0.2 0.826 104.3 61.2 -54.4 -35.5 77.8 2.9 41.0 161 162 A W G 34 S+ 0 0 56 -38,-0.7 -1,-0.3 1,-0.2 -37,-0.1 0.514 105.1 50.1 -72.0 -2.4 74.5 1.9 39.3 162 163 A A G X4 S+ 0 0 0 -3,-2.3 3,-1.0 31,-0.1 2,-0.5 0.483 81.5 106.4-113.0 -6.7 73.2 5.4 39.9 163 164 A I T << S- 0 0 30 -3,-1.0 -5,-0.0 -4,-0.5 31,-0.0 -0.646 96.2 -3.0 -81.5 122.4 76.1 7.5 38.6 164 165 A G T 3 0 0 61 -2,-0.5 -1,-0.2 1,-0.2 136,-0.1 0.758 360.0 360.0 72.5 27.7 75.4 9.2 35.3 165 166 A T < 0 0 123 -3,-1.0 -1,-0.2 0, 0.0 -3,-0.1 -0.523 360.0 360.0-105.9 360.0 71.9 7.6 34.9 166 ! 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 0.0 167 169 A S 0 0 65 0, 0.0 28,-0.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 127.2 68.8 7.3 40.6 168 170 A A - 0 0 6 26,-0.6 26,-0.0 25,-0.1 -6,-0.0 -0.268 360.0-109.1 -61.5 143.2 68.6 5.2 43.8 169 171 A S > - 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