==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)07-NOV-94 1TPV . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR Z.ZHANG,S.SUGIO,E.A.KOMIVES,K.D.LIU,A.M.STOCK,N.NARAYANA,NG. . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 15.7 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 . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 31.6 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 3 4 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 1 7 2 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 0 115 0, 0.0 2,-0.3 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 127.7 29.5 25.1 -0.3 2 5 A K - 0 0 99 198,-0.2 32,-0.1 1,-0.1 222,-0.0 -0.573 360.0-109.4 -74.2 128.7 27.8 28.5 -0.0 3 6 A F E -a 34 0A 16 30,-0.6 32,-2.6 -2,-0.3 2,-0.4 -0.319 40.0-161.8 -58.2 137.7 28.8 30.3 3.2 4 7 A F E -ab 35 225A 0 220,-2.5 222,-1.1 30,-0.2 2,-0.5 -0.989 15.8-179.0-129.3 118.9 25.8 30.3 5.5 5 8 A V E -ab 36 226A 0 30,-2.3 32,-1.7 -2,-0.4 2,-0.3 -0.990 5.5-172.0-125.5 128.0 25.1 32.5 8.5 6 9 A G E -ab 37 227A 0 220,-2.6 222,-2.8 -2,-0.5 2,-0.5 -0.849 11.8-149.6-103.6 144.8 22.0 32.2 10.6 7 10 A G E -ab 38 228A 1 30,-2.1 32,-3.7 -2,-0.3 2,-0.7 -0.991 5.9-160.5-116.9 120.0 21.0 34.6 13.4 8 11 A N E -a 39 0A 2 220,-2.8 224,-0.2 -2,-0.5 32,-0.1 -0.890 6.2-172.5-101.5 110.2 19.1 33.1 16.2 9 12 A W - 0 0 1 30,-2.2 -1,-0.1 -2,-0.7 31,-0.1 0.704 20.0-170.6 -74.6 -16.2 17.3 36.0 18.1 10 13 A K - 0 0 17 29,-0.4 2,-1.5 1,-0.2 306,-0.2 -0.263 62.1 -19.2 55.4-142.8 16.2 33.5 20.8 11 14 A M B S+I 315 0B 0 304,-2.2 304,-1.9 310,-0.1 2,-0.3 -0.597 109.9 111.7 -98.2 77.5 13.6 35.2 23.3 12 15 A N + 0 0 24 -2,-1.5 2,-0.1 302,-0.2 302,-0.1 -0.997 42.3 38.7-148.8 142.6 14.4 38.7 22.4 13 16 A G - 0 0 18 -2,-0.3 2,-0.3 27,-0.1 220,-0.0 -0.177 41.5-140.9 109.2 161.5 12.9 41.7 20.8 14 17 A D > - 0 0 64 -2,-0.1 4,-2.7 314,-0.0 5,-0.4 -0.849 47.5 -86.7-141.7-178.7 9.7 43.6 20.3 15 18 A K H > S+ 0 0 58 -2,-0.3 4,-1.1 2,-0.2 5,-0.1 0.818 123.3 51.7 -69.5 -31.7 8.4 45.2 17.1 16 19 A K H > S+ 0 0 156 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.984 116.6 36.9 -68.8 -54.3 10.2 48.5 17.6 17 20 A S H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.861 119.9 46.3 -70.0 -35.8 13.7 47.0 18.2 18 21 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.800 108.7 60.1 -75.4 -22.8 13.4 44.2 15.7 19 22 A G H X S+ 0 0 24 -4,-1.1 4,-2.0 -5,-0.4 -2,-0.2 0.956 109.1 41.4 -63.8 -44.1 12.0 46.8 13.3 20 23 A E H X S+ 0 0 110 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.929 112.8 52.9 -75.0 -39.1 15.2 48.8 13.5 21 24 A L H X S+ 0 0 19 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.941 111.6 47.5 -53.9 -45.6 17.4 45.7 13.3 22 25 A I H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 31,-0.2 0.885 108.0 55.2 -63.7 -38.0 15.6 44.7 10.2 23 26 A H H X S+ 0 0 149 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.894 109.0 48.8 -62.9 -41.0 16.0 48.2 8.7 24 27 A T H X S+ 0 0 59 -4,-2.2 4,-1.2 2,-0.2 3,-0.5 0.958 111.2 48.7 -63.4 -46.9 19.7 47.9 9.2 25 28 A L H >< S+ 0 0 4 -4,-2.3 3,-0.5 1,-0.3 -2,-0.2 0.887 110.0 51.5 -60.8 -39.6 19.9 44.5 7.5 26 29 A N H 3< S+ 0 0 68 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.774 115.7 42.0 -69.8 -28.9 17.9 45.7 4.5 27 30 A G H 3< S+ 0 0 65 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.537 95.7 109.3 -93.8 -6.9 20.2 48.6 4.1 28 31 A A S << S- 0 0 17 -4,-1.2 2,-1.3 -3,-0.5 -3,-0.1 -0.164 76.4-114.6 -75.5 159.3 23.5 46.8 4.7 29 32 A K - 0 0 151 2,-0.0 2,-0.4 3,-0.0 -1,-0.1 -0.722 48.0-176.9 -88.8 86.2 26.2 45.9 2.3 30 33 A L - 0 0 49 -2,-1.3 209,-0.1 -5,-0.1 208,-0.0 -0.754 34.6 -93.4-101.0 141.5 25.9 42.1 2.6 31 34 A S > - 0 0 12 -2,-0.4 3,-2.1 1,-0.2 -1,-0.1 -0.208 23.4-144.8 -53.0 118.6 28.1 39.6 0.9 32 35 A A T 3 S+ 0 0 96 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.790 100.9 54.7 -48.6 -30.7 26.6 38.6 -2.5 33 36 A D T 3 S+ 0 0 120 2,-0.0 -30,-0.6 -31,-0.0 2,-0.4 0.275 89.8 89.9 -90.8 5.7 28.0 35.1 -1.6 34 37 A T E < -a 3 0A 13 -3,-2.1 2,-0.6 -32,-0.1 -30,-0.2 -0.900 62.6-145.3-112.8 136.5 26.4 34.5 1.8 35 38 A E E -a 4 0A 52 -32,-2.6 -30,-2.3 -2,-0.4 2,-0.4 -0.879 26.5-169.6 -93.0 118.0 23.1 32.8 2.5 36 39 A V E +a 5 0A 10 -2,-0.6 21,-2.6 19,-0.4 2,-0.4 -0.896 13.2 177.2-115.8 135.1 21.6 34.5 5.5 37 40 A V E -ac 6 57A 3 -32,-1.7 -30,-2.1 -2,-0.4 2,-0.4 -0.994 16.9-148.3-130.2 144.9 18.6 33.5 7.6 38 41 A C E -ac 7 58A 1 19,-2.5 21,-2.7 -2,-0.4 2,-0.8 -0.962 10.0-145.5-111.9 131.6 17.2 35.2 10.7 39 42 A G E -ac 8 59A 0 -32,-3.7 -30,-2.2 -2,-0.4 -29,-0.4 -0.852 27.0-168.5 -99.9 102.5 15.5 32.9 13.4 40 43 A A E - c 0 60A 0 19,-1.5 21,-0.5 -2,-0.8 5,-0.1 -0.544 31.1 -91.8 -98.4 152.7 12.7 35.0 14.9 41 44 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.374 44.4-117.3 -51.2 138.0 10.4 34.6 18.0 42 45 A S G > S+ 0 0 18 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.897 115.3 58.7 -50.8 -39.8 7.2 32.7 16.8 43 46 A I G 3 S+ 0 0 3 1,-0.3 249,-0.3 2,-0.1 -1,-0.3 0.682 113.0 40.1 -65.3 -18.9 5.0 35.7 17.7 44 47 A Y G <> S+ 0 0 0 -3,-1.9 4,-2.6 2,-0.1 -1,-0.3 0.286 83.3 100.9-111.1 9.4 7.2 37.8 15.3 45 48 A L H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.3 5,-0.2 0.865 85.4 46.8 -61.8 -35.8 7.7 35.4 12.4 46 49 A D H > S+ 0 0 13 -4,-0.4 4,-1.9 243,-0.3 -1,-0.2 0.947 114.3 47.5 -70.4 -47.0 5.0 37.0 10.2 47 50 A F H > S+ 0 0 24 2,-0.2 4,-2.2 -4,-0.2 5,-0.2 0.920 113.1 48.7 -55.7 -48.9 6.3 40.6 10.9 48 51 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.884 111.2 48.1 -68.6 -38.0 9.8 39.6 10.2 49 52 A R H < S+ 0 0 49 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.856 113.8 49.8 -68.7 -29.7 9.0 37.9 6.9 50 53 A Q H < S+ 0 0 121 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.856 118.9 36.8 -75.7 -30.7 6.9 41.0 6.0 51 54 A K H < S+ 0 0 109 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.808 98.1 84.3 -93.6 -31.4 9.7 43.4 6.8 52 55 A L S < S- 0 0 8 -4,-2.4 -29,-0.1 -5,-0.2 6,-0.0 -0.482 88.6 -99.1 -76.9 143.4 12.9 41.6 5.7 53 56 A D > - 0 0 73 -31,-0.2 3,-2.0 -2,-0.2 -1,-0.1 -0.273 34.6-114.6 -49.1 139.5 14.2 41.8 2.1 54 57 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.746 112.2 68.4 -51.1 -30.6 13.2 38.6 0.2 55 58 A K T 3 S+ 0 0 183 2,-0.1 2,-0.4 -20,-0.0 -19,-0.4 0.706 90.1 71.4 -62.9 -26.2 17.0 37.8 -0.1 56 59 A I S < S- 0 0 5 -3,-2.0 -19,-0.2 -21,-0.1 2,-0.1 -0.817 82.2-138.4 -95.3 132.9 17.2 37.1 3.6 57 60 A G E -c 37 0A 14 -21,-2.6 -19,-2.5 -2,-0.4 2,-0.4 -0.458 7.3-136.1 -88.7 160.3 15.4 33.9 4.8 58 61 A V E -c 38 0A 0 26,-0.2 28,-2.0 -21,-0.2 29,-1.3 -0.951 16.4-163.2-122.4 137.7 13.3 33.6 8.0 59 62 A A E -cd 39 87A 0 -21,-2.7 -19,-1.5 -2,-0.4 29,-0.3 -0.955 15.7-135.2-123.5 136.9 13.6 30.6 10.3 60 63 A A E -cd 40 88A 0 27,-2.3 29,-2.6 -2,-0.4 3,-0.1 -0.624 19.3-135.0 -78.6 154.3 11.2 29.5 13.0 61 64 A Q S S- 0 0 5 -21,-0.5 2,-0.3 -2,-0.2 31,-0.2 0.473 78.0 -8.1 -90.3 -6.9 13.0 28.5 16.3 62 65 A N - 0 0 15 257,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.940 60.4-175.2-176.2 159.8 11.2 25.3 16.9 63 66 A C - 0 0 1 -2,-0.3 13,-0.2 -3,-0.1 2,-0.2 -0.944 24.1-113.1-157.5 169.7 8.2 23.3 15.6 64 67 A Y - 0 0 17 11,-1.9 -2,-0.0 -2,-0.3 7,-0.0 -0.534 29.2-107.6-102.5-178.0 6.3 20.1 16.4 65 68 A K S S+ 0 0 62 -2,-0.2 11,-0.1 11,-0.1 3,-0.0 0.363 90.6 49.1-102.2 9.0 6.1 16.8 14.6 66 69 A V S S- 0 0 53 1,-0.0 -2,-0.2 3,-0.0 12,-0.1 -0.920 82.2-114.7-137.8 162.0 2.5 16.6 13.1 67 70 A P S S- 0 0 58 0, 0.0 2,-0.3 0, 0.0 12,-0.2 0.781 88.3 -8.3 -71.3 -29.1 0.6 19.3 11.0 68 71 A K S S+ 0 0 144 190,-0.1 2,-0.3 7,-0.1 190,-0.2 -0.966 77.1 108.1-159.8 165.0 -2.2 20.0 13.5 69 72 A G B S-J 257 0C 19 188,-2.2 188,-2.2 -2,-0.3 2,-2.0 -0.906 71.9 -40.8 150.4-176.8 -3.7 18.8 16.7 70 73 A A S S+ 0 0 47 -2,-0.3 2,-0.4 186,-0.2 186,-0.1 -0.492 78.8 126.4 -84.8 65.2 -4.2 19.2 20.4 71 74 A F > - 0 0 45 -2,-2.0 3,-1.8 3,-0.1 -1,-0.1 -0.757 47.7-156.2-126.4 83.1 -0.8 20.6 21.2 72 75 A T T 3 S+ 0 0 0 -2,-0.4 3,-0.1 1,-0.2 185,-0.1 -0.362 78.3 20.7 -61.5 132.8 -1.3 23.9 23.0 73 76 A G T 3 S+ 0 0 25 1,-0.3 -1,-0.2 183,-0.1 2,-0.2 0.259 102.3 109.7 93.8 -12.1 1.6 26.2 22.7 74 77 A E < - 0 0 13 -3,-1.8 2,-0.3 233,-0.1 -1,-0.3 -0.643 50.1-155.6 -98.7 153.6 3.1 24.5 19.5 75 78 A I - 0 0 12 -2,-0.2 -11,-1.9 -3,-0.1 -7,-0.1 -0.896 15.1-142.0-120.3 155.3 3.4 25.5 15.9 76 79 A S > - 0 0 0 -2,-0.3 4,-1.8 -13,-0.2 3,-0.5 -0.757 27.3-107.2-113.9 163.0 3.7 23.1 12.9 77 80 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.866 118.9 60.8 -50.8 -39.4 5.7 23.2 9.6 78 81 A A H > S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -10,-0.1 0.902 106.0 44.7 -59.1 -42.7 2.4 23.9 7.8 79 82 A M H > S+ 0 0 4 -3,-0.5 4,-1.7 -12,-0.2 -1,-0.2 0.880 111.5 53.0 -67.0 -38.4 1.9 27.1 9.7 80 83 A I H X>S+ 0 0 0 -4,-1.8 5,-2.3 1,-0.2 4,-0.6 0.929 111.2 46.1 -62.2 -47.3 5.6 28.2 9.2 81 84 A K H ><5S+ 0 0 102 -4,-2.5 3,-0.9 3,-0.2 -1,-0.2 0.878 106.9 60.4 -60.3 -39.2 5.2 27.7 5.5 82 85 A D H 3<5S+ 0 0 62 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.880 105.8 46.1 -55.3 -44.2 1.9 29.6 5.6 83 86 A I H 3<5S- 0 0 11 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.563 122.4-107.6 -71.5 -16.3 3.7 32.8 7.0 84 87 A G T <<5S+ 0 0 37 -3,-0.9 -26,-0.2 -4,-0.6 -3,-0.2 0.650 70.3 141.8 94.8 10.4 6.4 32.4 4.3 85 88 A A < - 0 0 6 -5,-2.3 -1,-0.3 1,-0.1 -26,-0.2 -0.581 32.9-164.6 -80.0 159.4 9.3 31.2 6.5 86 89 A A + 0 0 50 -28,-2.0 33,-2.8 -2,-0.2 2,-0.3 0.538 61.2 44.6-123.4 -3.6 11.5 28.6 4.8 87 90 A W E -de 59 119A 25 -29,-1.3 -27,-2.3 31,-0.2 2,-0.3 -0.838 54.2-159.4-138.0 160.6 13.6 27.1 7.7 88 91 A V E -de 60 120A 0 31,-1.2 33,-2.2 -29,-0.3 2,-0.5 -0.986 21.2-130.3-141.1 144.7 13.2 25.9 11.3 89 92 A I E - e 0 121A 3 -29,-2.6 2,-0.4 -2,-0.3 33,-0.2 -0.840 34.0-176.8 -94.1 125.5 16.0 25.5 13.9 90 93 A L E + e 0 122A 0 31,-2.7 33,-3.0 -2,-0.5 -28,-0.1 -0.957 55.4 18.1-126.1 145.9 15.8 22.1 15.5 91 94 A G S S+ 0 0 1 -2,-0.4 5,-0.1 31,-0.2 -1,-0.1 0.615 73.3 171.7 77.0 12.6 17.7 20.4 18.3 92 95 A N > - 0 0 0 -31,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.215 43.6-114.8 -54.7 144.2 19.0 23.7 19.7 93 96 A P H > S+ 0 0 12 0, 0.0 4,-3.3 0, 0.0 5,-0.4 0.782 115.5 53.6 -60.5 -32.6 20.8 23.2 23.1 94 97 A E H >>S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 5,-2.1 0.932 109.7 49.5 -65.6 -41.9 18.3 25.1 25.2 95 98 A R H 45S+ 0 0 11 -3,-0.4 6,-2.6 3,-0.2 -1,-0.2 0.902 118.3 40.9 -61.5 -35.6 15.6 22.9 23.6 96 99 A R H X5S+ 0 0 24 -4,-2.1 4,-0.5 4,-0.2 -2,-0.2 0.980 129.3 23.8 -75.2 -48.7 17.7 19.9 24.6 97 100 A H H <5S+ 0 0 84 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.646 131.2 34.0-101.8 -17.3 19.0 20.8 28.0 98 101 A V T <5S+ 0 0 71 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.831 130.1 30.7 -99.3 -48.9 16.5 23.3 29.4 99 102 A F T 4 - 0 0 45 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.347 21.9-109.6 -85.0 164.8 15.2 14.0 23.4 103 106 A D H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.844 119.0 56.4 -58.3 -37.3 17.1 12.9 20.3 104 107 A E H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.951 109.7 44.7 -65.6 -39.5 14.2 10.6 19.4 105 108 A L H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.946 112.7 50.6 -67.4 -46.1 11.7 13.6 19.4 106 109 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.901 108.8 53.4 -58.3 -42.4 14.2 15.9 17.4 107 110 A G H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.916 109.7 47.7 -58.7 -43.6 14.6 13.1 14.8 108 111 A Q H X S+ 0 0 83 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.908 111.4 50.4 -63.6 -40.6 10.8 12.9 14.4 109 112 A K H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.917 109.2 51.3 -67.4 -41.1 10.6 16.7 14.0 110 113 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.928 109.9 49.6 -56.4 -47.4 13.3 16.8 11.4 111 114 A A H X S+ 0 0 37 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.929 115.3 44.1 -61.0 -41.4 11.5 14.1 9.3 112 115 A H H X S+ 0 0 28 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.936 112.5 49.6 -71.7 -42.2 8.3 16.1 9.5 113 116 A A H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 -2,-0.2 0.915 114.4 46.3 -63.9 -40.8 9.7 19.5 8.8 114 117 A L H ><5S+ 0 0 31 -4,-2.5 3,-1.9 -5,-0.2 -1,-0.2 0.893 107.9 55.5 -71.5 -38.7 11.5 18.1 5.8 115 118 A A H 3<5S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.874 106.1 54.0 -60.7 -32.0 8.4 16.2 4.6 116 119 A E T 3<5S- 0 0 49 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.408 124.3-106.8 -81.9 6.1 6.6 19.6 4.6 117 120 A G T < 5S+ 0 0 48 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.685 72.5 139.1 82.3 11.1 9.3 21.1 2.4 118 121 A L < - 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