==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-FEB-09 3G7K . COMPND 2 MOLECULE: 3-METHYLITACONATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EUBACTERIUM BARKERI; . AUTHOR A.MESSERSCHMIDT,S.MACIEIRA,M.VELARDE . 1369 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 915 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 344 25.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 1.1 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 . 19 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 130 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 1 1 5 0 5 0 0 1 1 6 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 4 1 6 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 . 9 15 4 9 11 5 8 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 11 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 1 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 S 0 0 84 0, 0.0 374,-0.1 0, 0.0 519,-0.1 0.000 360.0 360.0 360.0 -28.3 -34.0 3.7 -66.6 2 3 A D + 0 0 24 373,-0.1 373,-2.4 372,-0.1 374,-0.4 0.768 360.0 49.8 -69.5 -29.3 -34.1 4.5 -62.8 3 4 A Q E -A 374 0A 28 371,-0.2 2,-0.4 372,-0.1 371,-0.2 -0.823 70.0-143.8-118.7 147.2 -30.6 6.0 -63.0 4 5 A M E -A 373 0A 72 369,-2.8 369,-1.8 -2,-0.3 2,-0.3 -0.884 19.3-132.2-106.2 148.4 -28.8 8.5 -65.2 5 6 A R E -A 372 0A 59 -2,-0.4 367,-0.2 367,-0.2 742,-0.0 -0.762 19.0-172.3 -94.1 140.5 -25.1 8.2 -66.3 6 7 A I E -A 371 0A 2 365,-2.5 365,-2.4 -2,-0.3 20,-0.0 -0.980 29.0-117.4-132.1 123.0 -22.7 11.1 -66.0 7 8 A P E +A 370 0A 40 0, 0.0 2,-0.3 0, 0.0 363,-0.2 -0.277 47.4 173.1 -61.8 153.1 -19.1 11.0 -67.4 8 9 A C E -A 369 0A 8 361,-2.2 361,-2.0 13,-0.1 2,-0.4 -0.986 28.5-159.1-169.9 136.1 -16.7 11.3 -64.6 9 10 A V E -AB 368 20A 9 11,-1.1 11,-3.6 -2,-0.3 2,-0.5 -0.995 9.7-153.3-128.5 135.8 -13.0 11.1 -63.6 10 11 A I E +AB 367 19A 9 357,-3.3 356,-3.5 -2,-0.4 357,-1.7 -0.926 22.7 175.8-108.0 130.3 -11.4 10.6 -60.2 11 12 A M E -AB 365 18A 3 7,-3.0 7,-3.5 -2,-0.5 2,-0.6 -0.982 35.3-133.3-133.9 143.9 -8.0 12.0 -59.5 12 13 A R E -AB 364 17A 0 352,-2.9 352,-2.6 -2,-0.4 2,-0.5 -0.855 30.3-172.5 -82.6 121.8 -5.5 12.3 -56.7 13 14 A A E > -AB 363 16A 0 3,-2.4 3,-2.4 -2,-0.6 2,-0.4 -0.975 59.4 -48.2-122.1 113.6 -4.5 15.9 -57.0 14 15 A G T 3 S- 0 0 0 348,-2.4 137,-0.1 -2,-0.5 347,-0.0 -0.481 121.1 -26.6 62.1-118.3 -1.6 16.7 -54.7 15 16 A T T 3 S+ 0 0 0 -2,-0.4 2,-0.3 287,-0.2 -1,-0.3 0.120 127.4 81.0-112.8 11.7 -2.6 15.2 -51.3 16 17 A S E < S-B 13 0A 0 -3,-2.4 -3,-2.4 43,-0.0 2,-0.4 -0.761 72.2-133.0-110.2 164.7 -6.3 15.5 -52.0 17 18 A K E -B 12 0A 22 41,-2.4 44,-0.5 -2,-0.3 2,-0.3 -0.961 30.3-177.8-114.0 137.4 -8.7 13.3 -54.0 18 19 A G E -B 11 0A 3 -7,-3.5 -7,-3.0 -2,-0.4 2,-0.5 -0.960 30.0-132.1-137.7 152.9 -11.1 15.0 -56.4 19 20 A I E -Bc 10 62A 8 42,-2.0 44,-2.3 -2,-0.3 2,-0.6 -0.893 27.4-155.3 -95.9 126.9 -13.9 14.3 -58.9 20 21 A F E +Bc 9 63A 2 -11,-3.6 -11,-1.1 -2,-0.5 2,-0.3 -0.916 15.9 176.5-110.8 113.0 -13.2 16.0 -62.3 21 22 A L E - c 0 64A 1 42,-2.3 44,-2.7 -2,-0.6 2,-0.3 -0.855 27.8-121.2-110.3 150.3 -16.2 16.9 -64.4 22 23 A K E > - c 0 65A 20 -2,-0.3 3,-2.0 42,-0.2 4,-0.5 -0.668 29.1-112.6 -84.1 144.8 -16.3 18.7 -67.7 23 24 A G G > S+ 0 0 16 42,-3.3 3,-1.1 -2,-0.3 43,-0.1 0.831 112.3 49.3 -41.1 -52.0 -18.4 21.9 -68.0 24 25 A N G 3 S+ 0 0 12 1,-0.2 -1,-0.3 1077,-0.1 4,-0.1 0.547 97.7 71.8 -75.8 -1.8 -21.1 20.7 -70.4 25 26 A D G < S+ 0 0 28 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.640 89.6 66.1 -91.2 -15.4 -21.7 17.5 -68.4 26 27 A L S < S- 0 0 6 -3,-1.1 7,-0.1 -4,-0.5 6,-0.0 -0.824 97.5 -94.5-103.0 146.3 -23.5 19.3 -65.5 27 28 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.042 24.0-129.2 -55.1 156.0 -26.9 21.1 -65.9 28 29 A A S S+ 0 0 90 -4,-0.1 2,-0.5 4,-0.1 -2,-0.0 0.857 86.6 87.8 -78.3 -35.0 -27.0 24.9 -66.7 29 30 A D S > S- 0 0 91 1,-0.1 4,-3.3 2,-0.0 3,-0.4 -0.533 74.7-144.6 -65.5 117.5 -29.5 25.7 -63.9 30 31 A Q H > S+ 0 0 106 -2,-0.5 4,-2.8 1,-0.3 5,-0.2 0.834 97.6 50.7 -55.0 -41.4 -27.4 26.3 -60.7 31 32 A E H > S+ 0 0 132 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.876 114.8 42.8 -66.6 -40.3 -30.0 24.8 -58.4 32 33 A L H > S+ 0 0 63 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.897 112.5 54.9 -73.7 -41.0 -30.2 21.6 -60.5 33 34 A R H X S+ 0 0 44 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.951 108.8 47.7 -48.4 -55.6 -26.4 21.6 -60.9 34 35 A D H X S+ 0 0 40 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.808 110.4 51.6 -65.3 -29.5 -26.0 21.7 -57.1 35 36 A K H X S+ 0 0 85 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.887 110.6 48.6 -72.5 -38.7 -28.5 18.9 -56.6 36 37 A V H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.954 108.8 53.0 -63.7 -49.6 -26.7 16.7 -59.1 37 38 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.909 107.9 51.8 -50.3 -47.4 -23.3 17.4 -57.5 38 39 A L H X>S+ 0 0 20 -4,-1.7 5,-2.2 1,-0.2 4,-1.9 0.888 110.0 48.9 -60.8 -40.0 -24.6 16.3 -54.1 39 40 A R H <5S+ 0 0 46 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.910 109.6 51.7 -67.3 -41.5 -26.0 13.0 -55.5 40 41 A I H <5S+ 0 0 1 -4,-2.8 12,-3.0 1,-0.2 -2,-0.2 0.914 117.0 40.0 -58.9 -41.8 -22.6 12.3 -57.2 41 42 A F H <5S- 0 0 1 -4,-2.3 12,-0.9 10,-0.3 10,-0.3 0.722 109.6-116.8 -80.7 -24.5 -20.8 12.9 -53.9 42 43 A G T <5 - 0 0 5 -4,-1.9 8,-0.3 8,-0.3 6,-0.3 0.683 52.6-162.0 90.8 23.4 -23.3 11.2 -51.5 43 44 A S < + 0 0 3 -5,-2.2 -1,-0.3 -6,-0.2 42,-0.1 -0.628 53.0 28.1-103.9 157.3 -24.1 14.3 -49.5 44 45 A P S S+ 0 0 58 0, 0.0 41,-0.2 0, 0.0 2,-0.2 0.645 91.8 102.0 -83.1 148.6 -25.3 15.1 -46.9 45 46 A D > - 0 0 22 39,-2.8 3,-0.7 41,-0.1 41,-0.1 -0.647 66.4-131.9 171.2 120.8 -24.3 12.0 -44.9 46 47 A V T 3 S+ 0 0 109 1,-0.2 39,-0.1 -2,-0.2 -1,-0.1 0.812 113.9 37.8 -53.4 -34.9 -21.5 11.5 -42.4 47 48 A R T 3 S- 0 0 85 486,-0.1 -1,-0.2 -5,-0.1 -4,-0.1 0.630 90.7-146.1 -90.4 -15.3 -20.6 8.3 -44.2 48 49 A Q X + 0 0 0 -3,-0.7 3,-0.8 -6,-0.3 -5,-0.1 0.917 41.9 157.3 39.0 52.8 -21.2 9.5 -47.9 49 50 A I T 3 + 0 0 0 1,-0.3 -1,-0.1 -7,-0.2 -7,-0.1 0.755 61.3 49.5 -79.1 -22.9 -22.3 5.9 -48.4 50 51 A D T 3 S+ 0 0 5 -8,-0.3 -8,-0.3 342,-0.1 -1,-0.3 -0.216 110.4 46.4-113.0 41.6 -24.5 6.5 -51.4 51 52 A G S < S- 0 0 0 -3,-0.8 -10,-0.3 -10,-0.3 -9,-0.2 -0.898 89.9 -93.1-164.8-177.3 -22.1 8.6 -53.5 52 53 A L S S+ 0 0 22 -12,-3.0 -11,-0.2 -2,-0.3 -10,-0.1 0.773 83.5 98.8 -84.8 -31.7 -18.5 8.7 -54.8 53 54 A A S S- 0 0 5 -12,-0.9 7,-0.2 -13,-0.2 -2,-0.2 -0.068 71.4-125.2 -65.5 163.1 -16.8 10.9 -52.1 54 55 A G - 0 0 11 5,-2.5 6,-0.2 2,-0.3 -1,-0.1 0.190 37.3-113.9 -99.6 14.9 -14.7 9.7 -49.1 55 56 A A S S+ 0 0 40 4,-0.3 5,-0.1 1,-0.2 -7,-0.1 0.701 87.7 96.2 64.3 21.7 -16.4 11.2 -46.1 56 57 A D S > S- 0 0 37 1,-0.1 3,-3.5 371,-0.0 -2,-0.3 -0.993 84.4-118.0-137.1 139.8 -13.4 13.5 -45.3 57 58 A P G > S+ 0 0 15 0, 0.0 3,-1.3 0, 0.0 25,-0.2 0.868 116.0 56.8 -51.5 -34.2 -13.0 17.1 -46.4 58 59 A L G 3 S+ 0 0 2 1,-0.3 -41,-2.4 236,-0.1 3,-0.1 0.529 110.7 44.1 -73.8 -2.0 -9.9 16.2 -48.4 59 60 A T G < S+ 0 0 15 -3,-3.5 -5,-2.5 -43,-0.2 -4,-0.3 -0.001 99.4 70.7-130.1 26.7 -12.0 13.6 -50.4 60 61 A S S < S+ 0 0 0 -3,-1.3 22,-2.1 -7,-0.2 2,-0.4 -0.552 71.6 125.5-137.1 61.3 -15.1 15.6 -51.0 61 62 A K E - D 0 81A 4 -44,-0.5 -42,-2.0 20,-0.2 2,-0.4 -0.970 41.2-155.8-130.7 141.7 -13.8 18.1 -53.6 62 63 A L E -cD 19 80A 0 18,-2.9 18,-2.4 -2,-0.4 2,-0.4 -0.955 8.6-173.2-122.1 134.6 -14.9 19.0 -57.1 63 64 A A E -cD 20 79A 0 -44,-2.3 -42,-2.3 -2,-0.4 2,-0.5 -0.999 8.3-164.7-119.8 128.4 -13.2 20.5 -60.1 64 65 A I E -cD 21 78A 8 14,-2.5 14,-2.2 -2,-0.4 2,-0.4 -0.955 11.3-159.5-107.8 128.9 -15.3 21.5 -63.1 65 66 A I E +cD 22 77A 0 -44,-2.7 -42,-3.3 -2,-0.5 12,-0.2 -0.928 20.9 149.0-119.3 134.6 -13.2 22.0 -66.3 66 67 A G E - D 0 76A 10 10,-1.8 10,-2.6 -2,-0.4 1039,-0.1 -0.871 50.0 -57.9-145.5 179.2 -14.2 24.0 -69.4 67 68 A P E S- D 0 75A 42 0, 0.0 8,-0.2 0, 0.0 7,-0.1 -0.285 70.6 -84.6 -63.4 152.9 -12.9 26.2 -72.2 68 69 A S - 0 0 40 6,-0.6 8,-0.1 1,-0.1 6,-0.0 -0.260 34.2-175.4 -66.3 145.8 -11.0 29.3 -71.2 69 70 A T + 0 0 101 6,-0.2 -1,-0.1 -3,-0.1 5,-0.1 0.050 68.8 74.2-127.8 14.7 -12.9 32.5 -70.5 70 71 A H S > S- 0 0 54 3,-0.3 3,-1.7 1,-0.0 54,-0.1 -0.999 81.1-130.0-137.7 129.6 -9.7 34.5 -70.1 71 72 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.636 106.2 42.8 -56.7 -21.2 -7.4 35.7 -73.0 72 73 A D T 3 S+ 0 0 111 51,-0.0 2,-0.4 -3,-0.0 50,-0.1 0.478 99.7 87.2-102.0 -5.5 -4.1 34.4 -71.3 73 74 A A < - 0 0 11 -3,-1.7 -3,-0.3 1,-0.1 50,-0.2 -0.781 58.0-155.9-106.5 139.7 -5.4 31.0 -70.1 74 75 A D S S+ 0 0 79 48,-1.5 -6,-0.6 -2,-0.4 2,-0.3 0.783 80.9 15.6 -74.0 -32.5 -5.6 27.6 -71.8 75 76 A V E -De 67 123A 1 47,-1.2 49,-2.3 -8,-0.2 2,-0.4 -0.951 67.0-123.9-144.9 158.6 -8.4 26.4 -69.6 76 77 A D E -De 66 124A 16 -10,-2.6 -10,-1.8 -2,-0.3 2,-0.4 -0.906 24.5-171.4-102.8 138.3 -11.1 27.3 -67.0 77 78 A Y E -De 65 125A 0 47,-2.5 49,-3.2 -2,-0.4 2,-0.5 -0.979 6.5-174.2-134.1 119.1 -11.2 25.7 -63.6 78 79 A T E -D 64 0A 29 -14,-2.2 -14,-2.5 -2,-0.4 2,-0.3 -0.962 13.5-155.9-110.2 126.1 -14.0 26.1 -61.1 79 80 A F E -D 63 0A 0 -2,-0.5 2,-0.3 14,-0.3 14,-0.3 -0.778 11.9-179.2 -96.8 143.9 -13.5 24.6 -57.6 80 81 A A E -D 62 0A 0 -18,-2.4 -18,-2.9 -2,-0.3 2,-0.7 -0.982 21.3-144.5-140.9 137.7 -16.1 23.5 -55.1 81 82 A Q E -DF 61 90A 1 9,-1.8 9,-2.1 -2,-0.3 2,-0.6 -0.852 20.4-147.1 -90.1 119.4 -16.0 22.0 -51.7 82 83 A V E - F 0 89A 0 -22,-2.1 7,-0.2 -2,-0.7 2,-0.1 -0.796 17.7-128.3 -90.0 121.9 -18.8 19.6 -51.3 83 84 A S - 0 0 6 5,-2.5 5,-0.2 -2,-0.6 -22,-0.0 -0.420 13.4-158.9 -68.5 140.5 -20.0 19.6 -47.7 84 85 A I S S+ 0 0 21 -40,-0.1 -39,-2.8 -41,-0.1 -36,-0.2 0.868 91.2 36.6 -85.3 -40.6 -20.1 16.1 -46.1 85 86 A T S S+ 0 0 112 -41,-0.2 2,-0.3 -42,-0.1 -39,-0.1 0.718 119.8 40.0 -87.4 -21.6 -22.5 17.0 -43.3 86 87 A D S S- 0 0 82 2,-0.1 2,-2.4 -41,-0.1 -3,-0.2 -0.896 84.1-104.2-135.7 156.5 -24.8 19.5 -45.2 87 88 A A S S+ 0 0 56 -2,-0.3 2,-0.4 -44,-0.1 -3,-0.1 -0.398 77.5 126.6 -73.3 66.1 -26.5 20.2 -48.6 88 89 A V - 0 0 25 -2,-2.4 -5,-2.5 -5,-0.2 2,-0.5 -0.987 42.9-171.4-137.4 127.5 -23.9 22.8 -49.5 89 90 A V E -F 82 0A 18 -2,-0.4 2,-0.7 -7,-0.2 -7,-0.2 -0.983 21.7-154.6-119.4 118.1 -21.7 23.3 -52.5 90 91 A D E +F 81 0A 3 -9,-2.1 -9,-1.8 -2,-0.5 3,-0.2 -0.839 25.1 170.7-110.9 108.3 -19.2 26.1 -51.8 91 92 A Y + 0 0 50 -2,-0.7 -12,-0.2 -11,-0.2 -1,-0.1 0.176 45.7 112.6 -96.1 17.0 -17.7 28.0 -54.7 92 93 A N S S+ 0 0 73 -11,-0.1 2,-0.3 168,-0.1 -1,-0.2 0.313 75.5 17.7 -77.3 9.8 -16.0 30.8 -52.5 93 94 A G S S- 0 0 0 -14,-0.3 -14,-0.3 -3,-0.2 34,-0.2 -0.972 71.4 -96.9-161.6 178.7 -12.4 29.9 -53.2 94 95 A N - 0 0 0 107,-0.4 2,-0.4 -2,-0.3 211,-0.1 -0.550 27.5-139.4 -91.3 164.6 -9.6 28.2 -55.1 95 96 A C > - 0 0 7 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.974 7.5-165.1-126.5 123.5 -8.0 24.9 -54.2 96 97 A G H > S+ 0 0 0 -2,-0.4 4,-0.5 2,-0.2 -1,-0.1 0.942 89.5 43.4 -67.8 -51.7 -4.2 24.6 -54.6 97 98 A N H >4 S+ 0 0 0 2,-0.2 3,-2.9 1,-0.2 4,-0.5 0.981 115.0 47.9 -57.4 -60.3 -4.0 20.8 -54.5 98 99 A I H >> S+ 0 0 0 1,-0.3 3,-2.5 2,-0.2 4,-0.7 0.896 103.2 64.6 -49.1 -40.6 -7.0 20.1 -56.8 99 100 A S H 3X S+ 0 0 0 -4,-1.7 4,-0.8 1,-0.3 3,-0.4 0.734 90.7 67.2 -59.1 -18.0 -5.5 22.7 -59.1 100 101 A A H << S+ 0 0 0 -3,-2.9 -1,-0.3 -4,-0.5 -2,-0.2 0.726 98.2 50.3 -74.4 -21.9 -2.6 20.3 -59.5 101 102 A G H <> S+ 0 0 0 -3,-2.5 4,-2.5 -4,-0.5 -1,-0.2 0.613 94.4 76.4 -86.2 -11.9 -4.8 17.7 -61.3 102 103 A V H X S+ 0 0 0 -4,-0.7 4,-2.9 -3,-0.4 5,-0.2 0.954 93.4 47.1 -70.2 -51.2 -6.1 20.4 -63.7 103 104 A G H X S+ 0 0 0 -4,-0.8 4,-2.2 1,-0.2 5,-0.2 0.964 115.2 46.1 -51.7 -58.1 -3.0 20.5 -65.9 104 105 A P H > S+ 0 0 7 0, 0.0 4,-2.8 0, 0.0 39,-0.4 0.894 115.1 48.3 -51.0 -42.2 -2.8 16.7 -66.2 105 106 A F H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 6,-0.2 0.884 109.3 51.9 -66.6 -41.6 -6.6 16.5 -66.9 106 107 A A H <>S+ 0 0 0 -4,-2.9 5,-2.2 2,-0.2 6,-1.5 0.867 114.9 42.6 -66.0 -36.7 -6.5 19.2 -69.5 107 108 A I H ><5S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.2 -2,-0.2 0.942 113.4 49.6 -73.6 -48.5 -3.7 17.4 -71.4 108 109 A D H 3<5S+ 0 0 26 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.848 115.4 45.9 -62.0 -28.8 -5.1 13.9 -71.0 109 110 A E T 3<5S- 0 0 25 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.421 114.5-117.4 -93.2 1.2 -8.5 15.3 -72.3 110 111 A S T < 5S+ 0 0 0 -3,-1.6 -3,-0.2 2,-0.3 907,-0.2 0.659 79.6 123.9 71.4 20.9 -6.8 17.2 -75.2 111 112 A F S > -e 77 0A 0 5,-2.7 4,-2.1 -2,-0.9 3,-0.8 -0.623 6.4-159.1 -73.3 114.8 -9.4 29.9 -61.6 126 127 A T T 34 S+ 0 0 54 -49,-3.2 -48,-0.2 -2,-0.7 -1,-0.2 0.877 83.3 56.8 -58.1 -43.8 -13.1 30.8 -61.9 127 128 A N T 34 S+ 0 0 37 -50,-0.5 -1,-0.2 1,-0.2 -33,-0.1 0.700 123.9 21.1 -65.2 -21.7 -13.8 31.4 -58.3 128 129 A T T <4 S- 0 0 21 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.518 93.9-125.4-132.0 -20.4 -11.2 34.0 -57.8 129 130 A G < + 0 0 36 -4,-2.1 -3,-0.1 1,-0.3 -2,-0.1 0.272 68.4 127.8 79.6 -10.7 -10.4 35.4 -61.3 130 131 A K - 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