==== 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 30-MAR-04 1SW7 . 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 . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.5 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 . 42 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 31.0 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 1 4 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 3 4 3 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 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 4 A R 0 0 116 0, 0.0 2,-0.3 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 122.7 10.8 7.8 30.9 2 5 A K - 0 0 118 198,-0.2 32,-0.1 1,-0.1 2,-0.1 -0.572 360.0-110.4 -77.5 130.2 13.5 10.4 31.3 3 6 A F E -a 34 0A 14 30,-0.6 32,-2.9 -2,-0.3 2,-0.4 -0.378 37.8-157.8 -56.1 132.2 13.2 12.8 34.2 4 7 A F E -ab 35 225A 0 220,-2.3 222,-1.7 30,-0.2 2,-0.4 -0.973 15.5-177.8-127.9 128.8 12.3 16.4 32.9 5 8 A V E -ab 36 226A 0 30,-2.8 32,-2.2 -2,-0.4 2,-0.3 -0.967 4.0-175.0-132.0 115.4 12.8 19.8 34.6 6 9 A G E -ab 37 227A 1 220,-2.7 222,-2.6 -2,-0.4 2,-0.5 -0.820 13.0-150.7-102.9 146.6 11.8 23.0 33.1 7 10 A G E -ab 38 228A 1 30,-2.6 32,-3.2 -2,-0.3 2,-0.9 -0.965 4.7-160.2-117.7 111.6 12.5 26.4 34.6 8 11 A N E -a 39 0A 2 220,-3.1 224,-0.2 -2,-0.5 225,-0.1 -0.819 7.1-174.9 -93.2 104.1 9.9 29.1 33.8 9 12 A W - 0 0 1 30,-2.0 -1,-0.1 -2,-0.9 31,-0.1 0.627 20.8-170.2 -71.5 -15.2 11.6 32.4 34.4 10 13 A K - 0 0 17 29,-0.4 2,-1.3 1,-0.2 -1,-0.2 -0.232 60.0 -20.9 55.1-145.4 8.4 34.2 33.7 11 14 A M B S+I 315 0B 0 304,-1.8 304,-2.0 310,-0.1 2,-0.3 -0.585 108.4 112.6 -96.1 73.6 8.7 38.0 33.4 12 15 A N + 0 0 32 -2,-1.3 302,-0.1 302,-0.2 2,-0.1 -0.993 43.2 37.0-141.1 149.4 12.0 38.3 35.2 13 16 A G - 0 0 25 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 -0.080 45.9-132.9 107.0 157.1 15.6 39.2 34.4 14 17 A D > - 0 0 66 -2,-0.1 4,-2.7 314,-0.1 5,-0.3 -0.798 47.9 -87.2-130.9-179.2 17.8 41.5 32.4 15 18 A K H > S+ 0 0 68 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.902 126.7 47.7 -59.6 -40.3 20.8 40.5 30.3 16 19 A K H > S+ 0 0 156 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.970 116.3 40.1 -63.9 -56.5 23.2 40.8 33.3 17 20 A S H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.855 118.3 47.7 -66.3 -36.8 21.1 38.9 35.9 18 21 A L H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.808 108.9 56.4 -71.9 -29.0 20.1 36.2 33.4 19 22 A G H X S+ 0 0 23 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.894 109.6 44.6 -64.6 -43.1 23.8 36.0 32.3 20 23 A E H X S+ 0 0 109 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.906 113.4 51.2 -65.7 -45.7 24.8 35.2 35.9 21 24 A L H X S+ 0 0 29 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.949 114.1 43.4 -53.7 -52.5 21.9 32.7 36.2 22 25 A I H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 31,-0.2 0.885 110.9 54.8 -63.4 -44.1 22.9 30.9 33.0 23 26 A H H X S+ 0 0 142 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.878 108.6 48.9 -57.2 -41.6 26.6 31.0 34.0 24 27 A T H >< S+ 0 0 76 -4,-2.1 3,-0.5 2,-0.2 4,-0.4 0.941 112.2 48.4 -66.1 -46.5 25.8 29.3 37.3 25 28 A L H >< S+ 0 0 9 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.912 108.3 54.9 -55.5 -46.4 23.8 26.6 35.5 26 29 A N H 3< S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.766 114.9 38.7 -60.1 -31.1 26.6 26.0 32.9 27 30 A G T << S+ 0 0 69 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.313 95.2 109.2-103.9 5.8 29.1 25.3 35.7 28 31 A A S < S- 0 0 29 -3,-1.3 2,-0.9 -4,-0.4 -3,-0.0 -0.445 76.5-110.9 -84.5 154.3 26.8 23.4 38.0 29 32 A K - 0 0 193 -2,-0.1 2,-0.4 213,-0.0 213,-0.1 -0.782 46.7-179.3 -84.9 106.2 27.0 19.6 38.7 30 33 A L - 0 0 52 -2,-0.9 2,-0.2 -5,-0.1 209,-0.1 -0.900 36.8-104.7-115.0 138.4 23.8 18.3 37.1 31 34 A S > - 0 0 22 -2,-0.4 3,-1.6 1,-0.2 212,-0.1 -0.428 33.3-135.2 -57.8 126.8 22.5 14.7 37.0 32 35 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.847 97.1 55.8 -63.7 -32.1 23.3 13.7 33.4 33 36 A D T 3 S+ 0 0 90 2,-0.1 -30,-0.6 -29,-0.0 2,-0.5 0.024 79.4 102.6 -98.4 29.1 19.9 12.1 32.9 34 37 A T E < -a 3 0A 12 -3,-1.6 2,-0.7 -32,-0.1 -30,-0.2 -0.961 68.2-141.1 -97.1 126.6 17.7 15.1 33.7 35 38 A E E -a 4 0A 55 -32,-2.9 -30,-2.8 -2,-0.5 2,-0.4 -0.827 25.7-161.3 -82.1 116.8 16.4 16.7 30.6 36 39 A V E +a 5 0A 9 -2,-0.7 21,-2.6 19,-0.4 2,-0.4 -0.883 15.5 177.9-111.7 134.6 16.6 20.4 31.4 37 40 A V E -ac 6 57A 2 -32,-2.2 -30,-2.6 -2,-0.4 2,-0.5 -0.999 13.2-156.1-137.5 130.6 14.8 23.3 29.7 38 41 A C E -ac 7 58A 1 19,-2.4 21,-2.1 -2,-0.4 2,-0.8 -0.938 7.1-152.0-109.5 118.6 14.8 27.0 30.5 39 42 A G E -ac 8 59A 1 -32,-3.2 -30,-2.0 -2,-0.5 -29,-0.4 -0.803 22.8-173.7 -92.5 106.3 11.9 29.2 29.4 40 43 A A - 0 0 0 19,-1.2 21,-0.5 -2,-0.8 5,-0.1 -0.619 34.5 -86.9-100.4 156.3 13.2 32.7 28.9 41 44 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.324 44.0-114.3 -59.5 147.7 11.3 35.9 28.2 42 45 A S G > S+ 0 0 14 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.828 115.0 60.8 -58.4 -36.2 10.8 36.3 24.5 43 46 A I G 3 S+ 0 0 6 1,-0.3 249,-0.3 2,-0.1 -1,-0.3 0.636 113.7 37.1 -66.4 -15.9 13.0 39.4 24.3 44 47 A Y G <> S+ 0 0 0 -3,-2.2 4,-2.7 2,-0.1 -1,-0.3 0.162 82.9 104.1-120.5 13.5 16.0 37.3 25.7 45 48 A L H <> S+ 0 0 0 -3,-1.3 4,-2.0 -4,-0.2 5,-0.2 0.919 86.0 45.7 -60.8 -44.5 15.4 33.9 23.9 46 49 A D H > S+ 0 0 25 -4,-0.4 4,-2.1 243,-0.3 -1,-0.2 0.935 115.3 47.0 -64.3 -49.1 18.2 34.5 21.4 47 50 A F H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.929 112.1 50.8 -56.6 -48.5 20.6 35.7 24.1 48 51 A A H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.856 110.6 47.5 -63.6 -37.1 19.7 32.7 26.4 49 52 A R H < S+ 0 0 42 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.863 111.9 50.5 -75.0 -37.0 20.3 30.1 23.6 50 53 A Q H < S+ 0 0 129 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.911 119.9 36.5 -59.7 -44.7 23.6 31.6 22.7 51 54 A K H < S+ 0 0 116 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.846 99.9 83.8 -84.6 -35.4 24.8 31.6 26.3 52 55 A L S < S- 0 0 7 -4,-2.6 -29,-0.1 -5,-0.2 6,-0.0 -0.416 93.3 -96.1 -73.3 141.8 23.3 28.4 27.7 53 56 A D > - 0 0 65 -31,-0.2 3,-2.4 1,-0.1 -1,-0.1 -0.331 35.1-118.9 -52.1 136.1 25.1 25.2 27.2 54 57 A A T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.723 111.7 62.8 -55.4 -27.7 23.8 23.3 24.1 55 58 A K T 3 S+ 0 0 183 2,-0.1 2,-0.6 -20,-0.0 -19,-0.4 0.538 91.7 76.9 -78.9 -7.8 22.7 20.3 26.2 56 59 A I S < S- 0 0 7 -3,-2.4 -19,-0.2 -21,-0.1 -21,-0.1 -0.928 84.2-136.0 -99.8 123.1 20.3 22.6 28.1 57 60 A G E -c 37 0A 17 -21,-2.6 -19,-2.4 -2,-0.6 2,-0.4 -0.270 7.4-139.4 -77.0 163.5 17.2 23.3 26.1 58 61 A V E -c 38 0A 0 -21,-0.2 29,-1.6 26,-0.1 28,-0.9 -0.993 15.1-167.0-127.7 130.8 15.4 26.7 25.6 59 62 A A E -cd 39 87A 0 -21,-2.1 -19,-1.2 -2,-0.4 29,-0.3 -0.950 19.9-132.2-117.3 136.4 11.7 27.3 25.6 60 63 A A E - d 0 88A 0 27,-2.2 29,-2.4 -2,-0.4 3,-0.1 -0.559 22.7-133.0 -69.8 150.7 9.6 30.3 24.5 61 64 A Q S S- 0 0 4 -21,-0.5 2,-0.3 1,-0.2 31,-0.2 0.462 80.3 -11.7 -90.2 -3.7 7.0 31.0 27.2 62 65 A N - 0 0 14 257,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.919 62.2-175.7-179.0 160.5 4.2 31.3 24.7 63 66 A C - 0 0 1 -2,-0.3 13,-0.2 -3,-0.1 2,-0.1 -0.958 24.7-108.1-157.4 175.3 3.6 31.6 20.9 64 67 A Y - 0 0 17 11,-2.6 49,-0.0 -2,-0.3 -2,-0.0 -0.360 31.5-107.9-105.6-174.6 0.8 32.1 18.4 65 68 A K S S+ 0 0 61 -2,-0.1 11,-0.1 11,-0.1 3,-0.0 0.236 89.9 48.0-113.7 8.8 -0.7 29.7 15.9 66 69 A V S S- 0 0 56 1,-0.0 -2,-0.2 3,-0.0 12,-0.1 -0.935 82.5-114.0-137.3 161.7 0.4 30.6 12.4 67 70 A P S S- 0 0 59 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.816 89.5 -7.8 -65.8 -34.0 4.0 31.4 11.1 68 71 A K S S+ 0 0 148 190,-0.1 2,-0.3 7,-0.1 190,-0.2 -0.955 76.9 102.1-155.1 166.1 3.3 35.1 10.3 69 72 A G B S-J 257 0C 19 188,-1.8 2,-2.0 -2,-0.3 188,-1.7 -0.859 72.8 -33.4 142.5-173.0 0.6 37.8 10.1 70 73 A A S S+ 0 0 43 -2,-0.3 2,-0.2 186,-0.2 186,-0.1 -0.489 79.2 122.6 -83.3 70.7 -1.1 40.8 11.7 71 74 A F > - 0 0 47 -2,-2.0 3,-2.2 3,-0.1 -1,-0.1 -0.683 51.0-153.1-133.5 74.1 -0.8 39.9 15.4 72 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.265 80.0 18.6 -47.7 127.4 1.0 42.8 17.0 73 76 A G T 3 S+ 0 0 25 1,-0.3 -1,-0.3 235,-0.1 2,-0.2 0.306 101.1 111.1 92.2 -5.6 2.9 41.5 20.0 74 77 A E < - 0 0 10 -3,-2.2 2,-0.3 233,-0.1 -1,-0.3 -0.642 49.3-153.7-101.4 155.8 3.0 37.8 19.2 75 78 A I - 0 0 11 -2,-0.2 -11,-2.6 -3,-0.1 -7,-0.1 -0.924 11.5-142.1-122.2 156.0 5.8 35.4 18.1 76 79 A S >> - 0 0 0 -2,-0.3 4,-1.7 -13,-0.2 3,-0.5 -0.721 27.5-110.1-111.0 161.7 5.6 32.3 16.1 77 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.848 117.8 62.7 -50.4 -37.6 7.3 28.9 16.2 78 81 A A H 3> S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.895 106.4 44.8 -60.9 -37.5 9.2 29.9 13.0 79 82 A M H <> S+ 0 0 3 -3,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.862 110.3 53.9 -70.6 -37.7 10.8 32.7 15.0 80 83 A I H <>S+ 0 0 0 -4,-1.7 5,-1.7 1,-0.2 3,-0.4 0.926 112.4 43.1 -65.7 -45.8 11.5 30.5 17.9 81 84 A K H ><5S+ 0 0 97 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.845 106.1 62.6 -66.4 -34.8 13.4 28.0 15.7 82 85 A D H 3<5S+ 0 0 62 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.829 104.3 50.1 -58.7 -29.5 15.1 30.8 13.8 83 86 A I T 3<5S- 0 0 10 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.497 123.1-107.0 -88.8 -6.8 16.7 31.7 17.2 84 87 A G T < 5S+ 0 0 45 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.381 75.2 132.8 97.4 -1.2 17.9 28.1 17.9 85 88 A A < - 0 0 4 -5,-1.7 -1,-0.3 1,-0.1 -26,-0.1 -0.554 37.5-166.5 -85.0 149.8 15.3 27.2 20.6 86 89 A A + 0 0 53 -28,-0.9 33,-2.8 -2,-0.2 2,-0.3 0.328 58.9 59.4-120.2 5.1 13.4 23.9 20.4 87 90 A W E -de 59 119A 25 -29,-1.6 -27,-2.2 31,-0.2 2,-0.3 -0.916 48.1-169.2-134.4 159.9 10.6 24.2 22.9 88 91 A V E -de 60 120A 0 31,-1.8 33,-2.2 -2,-0.3 2,-0.5 -0.983 20.0-136.7-143.2 141.0 7.5 26.3 23.8 89 92 A I E - e 0 121A 2 -29,-2.4 2,-0.4 -2,-0.3 33,-0.2 -0.867 31.0-174.9 -91.7 126.2 5.3 26.3 26.9 90 93 A L E + e 0 122A 0 31,-2.4 33,-2.5 -2,-0.5 -28,-0.1 -0.944 54.8 17.1-127.5 142.4 1.7 26.5 26.0 91 94 A G S S+ 0 0 1 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.653 74.7 175.4 77.5 17.4 -1.5 26.9 28.1 92 95 A H >> - 0 0 1 -31,-0.2 4,-2.1 -3,-0.1 3,-0.8 -0.235 43.5-112.1 -53.2 143.7 0.2 28.1 31.2 93 96 A S H 3> S+ 0 0 16 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.826 118.2 53.4 -47.1 -43.3 -2.1 29.1 34.0 94 97 A E H 3>>S+ 0 0 16 1,-0.2 4,-1.7 2,-0.2 5,-1.5 0.882 108.0 50.8 -65.7 -35.3 -1.1 32.7 33.7 95 98 A R H <45S+ 0 0 7 -3,-0.8 6,-2.2 3,-0.2 -2,-0.2 0.917 117.4 40.1 -64.9 -41.8 -2.0 32.6 29.9 96 99 A R H <5S+ 0 0 19 -4,-2.1 4,-0.3 4,-0.2 -2,-0.2 0.888 126.7 29.5 -70.4 -43.2 -5.4 31.1 30.7 97 100 A H H <5S+ 0 0 82 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.590 130.4 30.4-109.0 -16.3 -6.4 33.1 33.8 98 101 A V T <5S+ 0 0 72 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.1 0.704 132.6 32.6-101.2 -41.1 -4.8 36.4 33.5 99 102 A F S - 0 0 60 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.350 19.6-112.4 -82.7 165.4 -9.2 29.5 25.8 103 106 A D H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.885 118.7 53.9 -58.5 -44.5 -8.8 25.7 25.4 104 107 A E H > S+ 0 0 149 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.894 109.6 45.8 -56.7 -47.5 -9.5 26.0 21.7 105 108 A L H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.922 112.2 50.9 -67.4 -43.0 -6.8 28.6 21.2 106 109 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.884 108.9 51.9 -61.9 -39.2 -4.3 26.6 23.2 107 110 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.856 109.1 50.0 -66.1 -36.6 -5.1 23.4 21.1 108 111 A Q H X S+ 0 0 68 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.889 110.6 49.8 -65.4 -41.1 -4.5 25.4 17.9 109 112 A K H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.895 110.4 51.0 -65.6 -40.8 -1.1 26.6 19.2 110 113 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.923 109.9 49.2 -62.2 -46.6 -0.2 23.1 20.2 111 114 A A H X S+ 0 0 37 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.896 115.9 43.0 -60.5 -42.0 -1.0 21.8 16.7 112 115 A H H X S+ 0 0 28 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 112.0 51.7 -72.4 -46.1 1.0 24.5 15.0 113 116 A A H <>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 4,-0.3 0.923 112.4 46.8 -57.9 -47.1 4.0 24.4 17.3 114 117 A L H ><5S+ 0 0 34 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.868 110.3 52.0 -63.4 -40.7 4.3 20.6 16.8 115 118 A A H 3<5S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.816 105.7 56.6 -66.5 -28.5 4.0 20.8 13.0 116 119 A E T 3<5S- 0 0 52 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.497 124.9-102.6 -82.1 -2.0 6.7 23.5 12.9 117 120 A G T < 5S+ 0 0 34 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.567 77.5 132.3 93.1 10.8 9.1 21.0 14.7 118 121 A L < - 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