==== 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 ISOMERASE 26-MAR-04 1SU5 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR I.KURSULA,M.SALIN,J.SUN,B.V.NORLEDGE,A.M.HAAPALAINEN,N.S.SAM . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 36 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 31.4 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 0 7 5 2 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 8 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 . 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 A 0 0 143 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.5 12.5 2.2 28.7 2 3 A P - 0 0 121 0, 0.0 2,-0.3 0, 0.0 200,-0.1 -0.319 360.0-105.0 -64.6 140.5 12.4 4.2 32.0 3 4 A R - 0 0 54 198,-0.2 2,-0.2 1,-0.1 200,-0.1 -0.493 35.3-115.8 -68.3 128.9 11.2 7.7 31.5 4 5 A K - 0 0 109 -2,-0.3 2,-0.1 198,-0.2 32,-0.1 -0.470 31.5-110.9 -63.4 128.5 14.0 10.3 31.6 5 6 A F - 0 0 8 30,-0.4 32,-2.9 -2,-0.2 2,-0.4 -0.424 40.3-162.0 -60.2 134.3 13.7 12.7 34.6 6 7 A F E -ab 37 227A 0 220,-2.1 222,-1.6 30,-0.2 2,-0.5 -0.983 17.2-179.0-131.3 123.4 12.8 16.1 33.3 7 8 A V E -ab 38 228A 0 30,-2.4 32,-1.7 -2,-0.4 2,-0.3 -0.962 6.0-168.8-126.2 121.5 13.0 19.6 34.9 8 9 A G E -ab 39 229A 1 220,-2.4 222,-2.7 -2,-0.5 2,-0.6 -0.794 12.7-146.6 -98.3 143.4 12.0 22.7 33.1 9 10 A G E -ab 40 230A 1 30,-2.6 32,-2.9 -2,-0.3 2,-1.0 -0.927 7.8-163.1-116.0 101.5 12.9 26.1 34.6 10 11 A N E -a 41 0A 0 220,-2.9 224,-0.2 -2,-0.6 225,-0.1 -0.772 8.3-177.2 -87.9 98.6 10.2 28.7 33.9 11 12 A W - 0 0 2 30,-1.9 -1,-0.2 -2,-1.0 31,-0.1 0.588 21.7-169.6 -65.5 -14.4 11.9 32.1 34.5 12 13 A K - 0 0 16 29,-0.3 2,-1.3 1,-0.2 -1,-0.2 -0.224 61.6 -19.2 53.5-145.5 8.5 33.8 33.8 13 14 A M B S+I 319 0B 0 306,-1.8 306,-2.4 -3,-0.1 2,-0.3 -0.640 108.0 119.0 -92.8 77.7 8.9 37.6 33.5 14 15 A N + 0 0 30 -2,-1.3 304,-0.1 304,-0.2 -3,-0.1 -0.997 42.4 17.6-146.4 143.9 12.3 37.9 35.3 15 16 A G - 0 0 25 -2,-0.3 2,-0.2 4,-0.0 220,-0.0 -0.010 49.2-124.0 97.8 164.2 15.8 39.0 34.7 16 17 A D > - 0 0 64 316,-0.0 4,-2.8 30,-0.0 5,-0.4 -0.783 46.8 -83.0-130.0-176.2 17.9 41.1 32.4 17 18 A K H > S+ 0 0 63 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.852 127.7 50.9 -58.8 -36.0 21.0 40.2 30.4 18 19 A K H > S+ 0 0 155 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.968 117.8 35.4 -65.1 -53.0 23.3 40.8 33.4 19 20 A S H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.810 119.2 49.0 -76.8 -33.1 21.4 38.6 35.8 20 21 A L H X S+ 0 0 3 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.840 108.2 56.1 -73.7 -36.4 20.3 36.0 33.3 21 22 A G H X S+ 0 0 23 -4,-1.6 4,-2.2 -5,-0.4 -2,-0.2 0.878 110.1 45.1 -55.7 -41.6 23.9 35.8 32.2 22 23 A E H X S+ 0 0 106 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.866 112.5 51.2 -69.4 -41.4 24.9 35.1 35.8 23 24 A L H X S+ 0 0 26 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.942 114.4 43.1 -60.2 -50.1 22.1 32.5 36.2 24 25 A I H X S+ 0 0 2 -4,-2.9 4,-3.5 2,-0.2 5,-0.2 0.918 111.1 54.6 -62.9 -47.5 23.2 30.7 33.0 25 26 A H H X S+ 0 0 144 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.898 110.2 47.2 -55.4 -42.6 26.9 30.9 33.9 26 27 A T H X S+ 0 0 75 -4,-2.1 4,-1.4 2,-0.2 3,-0.5 0.947 114.2 47.3 -64.2 -48.0 26.1 29.2 37.2 27 28 A L H < S+ 0 0 11 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.917 109.1 53.6 -58.1 -46.6 24.0 26.6 35.4 28 29 A N H < S+ 0 0 61 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.769 115.4 41.9 -59.2 -28.9 26.7 26.0 32.8 29 30 A G H < S+ 0 0 66 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.650 92.6 106.4 -91.7 -18.7 29.2 25.4 35.6 30 31 A A S < S- 0 0 30 -4,-1.4 2,-1.2 -3,-0.5 -3,-0.0 -0.173 78.4-110.6 -69.3 151.5 27.2 23.3 38.0 31 32 A K - 0 0 189 213,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.720 48.3-176.8 -77.3 95.0 27.5 19.5 38.6 32 33 A L - 0 0 52 -2,-1.2 2,-0.3 -5,-0.1 209,-0.1 -0.780 33.4-105.7 -99.8 143.4 24.2 18.4 37.0 33 34 A S > - 0 0 23 -2,-0.3 3,-2.1 207,-0.2 212,-0.1 -0.499 22.7-142.1 -68.6 122.2 23.0 14.8 37.0 34 35 A A T 3 S+ 0 0 99 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.0 0.762 97.1 68.5 -59.0 -23.7 23.5 13.5 33.4 35 36 A D T 3 S+ 0 0 88 2,-0.1 -30,-0.4 -31,-0.0 2,-0.4 0.594 83.8 90.0 -65.2 -20.8 20.2 11.6 33.8 36 37 A T < - 0 0 15 -3,-2.1 2,-0.7 -32,-0.1 -30,-0.2 -0.730 67.2-144.4 -99.5 129.5 18.2 14.8 33.8 37 38 A E E -a 6 0A 53 -32,-2.9 -30,-2.4 -2,-0.4 2,-0.4 -0.822 26.7-166.0 -86.5 114.1 16.6 16.5 30.8 38 39 A V E +a 7 0A 9 -2,-0.7 21,-2.5 19,-0.4 2,-0.3 -0.840 14.0 173.7-108.4 137.7 16.9 20.3 31.5 39 40 A V E -ac 8 59A 1 -32,-1.7 -30,-2.6 -2,-0.4 2,-0.5 -0.995 16.5-150.5-139.5 139.4 15.1 23.0 29.7 40 41 A C E -ac 9 60A 1 19,-2.8 21,-2.7 -2,-0.3 2,-0.9 -0.954 5.9-148.5-118.6 121.5 14.9 26.7 30.5 41 42 A G E -ac 10 61A 1 -32,-2.9 -30,-1.9 -2,-0.5 -29,-0.3 -0.776 24.6-173.0 -86.2 105.0 12.0 29.0 29.6 42 43 A A E - c 0 62A 0 19,-1.4 21,-0.5 -2,-0.9 5,-0.1 -0.658 34.8 -91.2 -97.9 153.0 13.4 32.4 29.0 43 44 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.366 42.7-114.3 -55.8 145.0 11.4 35.6 28.4 44 45 A S G > S+ 0 0 13 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.874 115.8 60.0 -56.2 -41.5 10.9 36.0 24.6 45 46 A I G 3 S+ 0 0 7 1,-0.3 251,-0.3 2,-0.1 -1,-0.3 0.621 114.5 36.5 -60.2 -15.8 13.1 39.1 24.5 46 47 A Y G <> S+ 0 0 1 -3,-2.2 4,-3.1 2,-0.1 -1,-0.3 0.278 84.1 104.0-119.9 6.9 16.0 37.0 25.9 47 48 A L H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.4 5,-0.2 0.898 84.6 45.8 -61.8 -46.6 15.5 33.7 24.1 48 49 A D H > S+ 0 0 28 -4,-0.4 4,-2.1 245,-0.3 -1,-0.2 0.918 115.1 47.6 -60.1 -47.0 18.2 34.2 21.5 49 50 A F H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 111.4 52.7 -59.4 -45.1 20.6 35.4 24.2 50 51 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.842 109.7 47.2 -59.6 -39.0 19.6 32.4 26.4 51 52 A R H < S+ 0 0 41 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.892 112.4 49.4 -76.0 -37.9 20.3 29.9 23.6 52 53 A Q H < S+ 0 0 124 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.960 119.2 37.5 -58.3 -49.8 23.7 31.4 22.8 53 54 A K H < S+ 0 0 113 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.831 99.5 83.5 -82.4 -35.2 24.8 31.4 26.4 54 55 A L S < S- 0 0 6 -4,-2.2 2,-0.1 -5,-0.2 -29,-0.1 -0.442 92.2 -99.1 -71.2 142.5 23.4 28.2 27.7 55 56 A D > - 0 0 66 -31,-0.2 3,-2.2 1,-0.1 -1,-0.1 -0.379 32.6-119.6 -53.6 134.2 25.3 25.0 27.1 56 57 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.748 111.9 66.2 -52.4 -27.0 23.8 23.1 24.1 57 58 A K T 3 S+ 0 0 184 2,-0.1 2,-0.5 -20,-0.0 -19,-0.4 0.701 92.2 70.6 -75.4 -19.5 23.0 20.2 26.4 58 59 A I S < S- 0 0 11 -3,-2.2 -19,-0.2 -21,-0.1 2,-0.1 -0.885 85.1-137.6 -93.1 125.4 20.4 22.4 28.2 59 60 A G E -c 39 0A 15 -21,-2.5 -19,-2.8 -2,-0.5 2,-0.5 -0.308 6.4-134.3 -84.6 164.1 17.3 23.2 26.1 60 61 A V E -c 40 0A 0 -21,-0.3 29,-1.3 26,-0.2 28,-0.9 -0.979 15.9-164.4-128.2 130.2 15.5 26.5 25.7 61 62 A A E -cd 41 89A 0 -21,-2.7 -19,-1.4 -2,-0.5 29,-0.3 -0.937 18.1-133.0-116.8 131.7 11.9 26.9 25.9 62 63 A A E -cd 42 90A 0 27,-2.7 29,-2.7 -2,-0.4 3,-0.1 -0.526 22.3-131.3 -66.0 151.6 9.8 29.9 24.8 63 64 A Q S S- 0 0 5 -21,-0.5 2,-0.3 1,-0.2 31,-0.2 0.461 80.6 -18.4 -88.2 -3.4 7.3 30.8 27.5 64 65 A N - 0 0 13 259,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.911 61.6-171.8 178.7 163.1 4.4 30.9 24.9 65 66 A C - 0 0 1 -2,-0.3 13,-0.2 26,-0.1 2,-0.2 -0.935 24.9-104.2-154.5-176.7 3.8 31.2 21.2 66 67 A Y - 0 0 14 11,-2.2 49,-0.0 -2,-0.3 -2,-0.0 -0.523 31.5-108.5-110.3 179.8 0.9 31.6 18.7 67 68 A K S S+ 0 0 62 -2,-0.2 11,-0.1 11,-0.1 -1,-0.0 0.310 92.8 47.1-103.2 4.8 -0.8 29.1 16.4 68 69 A V S S- 0 0 55 3,-0.0 -2,-0.2 1,-0.0 12,-0.1 -0.924 83.6-115.4-137.5 162.8 0.4 30.1 12.9 69 70 A P S S- 0 0 60 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.709 90.7 -6.2 -76.4 -19.3 3.9 30.9 11.7 70 71 A K S S+ 0 0 147 192,-0.1 2,-0.2 7,-0.1 192,-0.2 -0.973 75.1 112.4-166.5 161.1 3.2 34.6 10.8 71 72 A G B S-J 261 0C 18 190,-2.1 2,-2.4 -2,-0.3 190,-1.5 -0.858 72.2 -44.8 150.6 175.6 0.4 37.2 10.6 72 73 A A S S+ 0 0 44 -2,-0.2 2,-0.3 188,-0.2 188,-0.1 -0.414 80.1 127.4 -73.8 71.8 -1.2 40.3 12.0 73 74 A F > - 0 0 47 -2,-2.4 3,-2.2 3,-0.1 -1,-0.1 -0.676 48.3-154.4-132.4 75.1 -0.8 39.3 15.7 74 75 A T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.272 79.5 18.4 -56.1 128.1 0.9 42.2 17.4 75 76 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.3 237,-0.1 2,-0.2 0.166 102.0 113.2 95.7 -14.0 2.8 41.0 20.5 76 77 A E < - 0 0 10 -3,-2.2 -1,-0.3 235,-0.1 2,-0.3 -0.547 48.4-157.5 -91.8 153.6 2.9 37.3 19.5 77 78 A I - 0 0 11 -2,-0.2 -11,-2.2 -3,-0.1 -7,-0.1 -0.934 11.7-143.9-124.4 154.9 5.7 35.0 18.5 78 79 A S >> - 0 0 0 -2,-0.3 4,-1.7 -13,-0.2 3,-1.0 -0.786 27.5-109.3-117.0 155.1 5.5 31.8 16.4 79 80 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.840 117.3 63.1 -46.6 -40.3 7.4 28.5 16.6 80 81 A A H 3> S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 -10,-0.1 0.878 105.8 45.9 -58.0 -38.4 9.2 29.4 13.3 81 82 A M H <> S+ 0 0 3 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.893 111.5 51.2 -66.7 -42.2 10.7 32.3 15.2 82 83 A I H <>S+ 0 0 0 -4,-1.7 5,-2.0 1,-0.2 -2,-0.2 0.896 114.2 43.5 -64.3 -42.3 11.6 30.1 18.2 83 84 A K H ><5S+ 0 0 110 -4,-3.1 3,-1.6 3,-0.2 -1,-0.2 0.856 106.0 64.9 -65.7 -37.0 13.3 27.6 15.9 84 85 A D H 3<5S+ 0 0 60 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.843 104.8 42.9 -59.2 -37.1 14.9 30.5 14.1 85 86 A I T 3<5S- 0 0 11 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.368 124.7-103.3 -90.9 4.1 16.9 31.5 17.2 86 87 A G T < 5S+ 0 0 43 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.520 74.8 135.0 92.9 5.6 17.7 27.8 17.9 87 88 A A < - 0 0 3 -5,-2.0 -1,-0.3 -6,-0.2 -26,-0.1 -0.604 35.2-165.8 -80.6 153.6 15.4 27.0 20.7 88 89 A A + 0 0 52 -28,-0.9 33,-2.8 -2,-0.2 2,-0.3 0.172 59.4 64.6-126.2 13.0 13.5 23.7 20.5 89 90 A W E -de 61 121A 25 -29,-1.3 -27,-2.7 31,-0.2 2,-0.3 -0.974 47.7-172.0-138.8 152.5 10.7 24.0 23.2 90 91 A V E -de 62 122A 0 31,-1.5 33,-2.1 -2,-0.3 2,-0.5 -0.988 21.6-136.7-136.6 139.9 7.7 26.1 24.0 91 92 A I E - e 0 123A 1 -29,-2.7 2,-0.4 -2,-0.3 33,-0.2 -0.826 30.7-171.1 -88.4 133.9 5.7 26.0 27.2 92 93 A L E + e 0 124A 1 31,-2.9 33,-2.9 -2,-0.5 -28,-0.1 -0.982 55.4 14.2-132.6 144.9 2.0 26.0 26.4 93 94 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 31,-0.2 5,-0.1 0.723 75.4 179.0 71.1 23.6 -1.1 26.4 28.5 94 95 A H >> - 0 0 3 -31,-0.2 4,-1.9 1,-0.1 3,-0.9 -0.230 43.1-109.1 -56.6 150.1 0.7 27.7 31.6 95 96 A S H 3> S+ 0 0 9 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.861 120.2 53.2 -46.6 -43.9 -1.5 28.5 34.5 96 97 A E H 3>>S+ 0 0 13 1,-0.2 5,-1.6 2,-0.2 4,-1.5 0.828 105.9 52.1 -67.3 -33.5 -0.8 32.2 34.0 97 98 A R H <45S+ 0 0 8 -3,-0.9 6,-3.0 3,-0.2 -1,-0.2 0.910 116.3 40.6 -67.2 -38.2 -1.8 32.1 30.3 98 99 A R H <5S+ 0 0 20 -4,-1.9 -2,-0.2 4,-0.3 4,-0.2 0.904 128.9 25.4 -73.8 -42.0 -5.2 30.5 31.2 99 100 A H H <5S+ 0 0 74 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.631 130.9 33.1-110.5 -22.1 -6.1 32.4 34.3 100 101 A V T <5S+ 0 0 68 -4,-1.5 -3,-0.2 -5,-0.4 -4,-0.1 0.786 134.2 26.3 -94.7 -41.7 -4.3 35.8 34.0 101 102 A F S - 0 0 63 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.224 20.9-109.0 -79.5 170.8 -8.9 28.9 26.4 105 106 A D H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.861 118.6 55.0 -68.5 -35.4 -8.4 25.1 25.9 106 107 A E H > S+ 0 0 151 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 110.4 45.6 -64.1 -46.1 -9.3 25.4 22.2 107 108 A L H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.915 112.6 50.0 -62.2 -45.7 -6.6 28.0 21.7 108 109 A I H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.937 109.3 53.0 -57.4 -47.0 -4.0 26.0 23.6 109 110 A G H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.901 109.4 47.7 -56.3 -44.3 -4.9 22.9 21.6 110 111 A Q H X S+ 0 0 66 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.905 110.8 51.8 -63.0 -42.2 -4.3 24.8 18.3 111 112 A K H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.903 110.0 49.8 -60.0 -40.1 -1.0 26.1 19.7 112 113 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.920 109.7 50.5 -68.3 -42.4 -0.0 22.6 20.5 113 114 A A H X S+ 0 0 35 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.921 114.8 44.3 -59.1 -43.0 -0.9 21.4 17.0 114 115 A H H X S+ 0 0 26 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.946 111.8 48.7 -71.1 -52.7 1.1 24.1 15.4 115 116 A A H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-0.2 0.891 113.5 47.8 -55.2 -45.6 4.3 23.9 17.6 116 117 A L H ><5S+ 0 0 34 -4,-2.1 3,-1.7 -5,-0.2 -1,-0.2 0.922 110.9 51.2 -62.8 -41.6 4.5 20.1 17.2 117 118 A A H 3<5S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.779 107.3 54.5 -69.2 -24.9 4.0 20.4 13.4 118 119 A E T 3<5S- 0 0 51 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.436 125.0-103.9 -84.2 -0.3 6.8 23.0 13.3 119 120 A G T < 5S+ 0 0 36 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.701 75.6 134.3 85.1 20.2 9.2 20.6 15.1 120 121 A L < - 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