==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-JAN-12 3VC6 . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBISPORA BISPORA; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 420 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 16 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 0 0 1 2 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 1 3 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 PARALLEL BRIDGES PER LADDER . 5 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 0 0 0 0 1 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 0 A S 0 0 96 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.9 3.1 -8.1 75.3 2 1 A M + 0 0 34 1,-0.2 69,-2.1 68,-0.1 2,-0.2 0.715 360.0 158.6 66.6 30.2 3.0 -4.8 73.5 3 2 A L B -A 70 0A 63 67,-0.2 37,-2.3 68,-0.1 2,-0.4 -0.572 49.2-108.5 -74.6 138.5 5.2 -5.4 70.5 4 3 A I E -B 39 0B 3 65,-3.0 64,-2.5 62,-0.3 35,-0.3 -0.603 34.6-178.5 -69.7 126.4 4.6 -3.0 67.6 5 4 A R E - 0 0 109 33,-3.0 2,-0.3 -2,-0.4 34,-0.2 0.841 65.3 -11.2 -93.0 -44.2 2.9 -4.9 64.8 6 5 A E E -B 38 0B 70 32,-1.9 32,-2.7 60,-0.1 2,-0.4 -0.987 51.8-145.8-152.2 162.2 2.7 -2.0 62.3 7 6 A V E -B 37 0B 22 -2,-0.3 2,-0.5 30,-0.2 30,-0.2 -0.990 16.1-154.9-132.2 119.4 3.2 1.7 62.0 8 7 A R E -B 36 0B 81 28,-3.1 28,-2.8 -2,-0.4 2,-0.5 -0.842 7.2-165.1 -98.0 131.0 1.0 3.7 59.6 9 8 A V E +B 35 0B 31 -2,-0.5 26,-0.2 26,-0.2 -2,-0.0 -0.975 8.8 178.7-123.3 120.8 2.4 6.9 58.2 10 9 A T E -B 34 0B 29 24,-3.0 24,-3.0 -2,-0.5 2,-0.2 -0.946 17.9-149.7-130.9 110.3 0.0 9.4 56.5 11 10 A P E -B 33 0B 2 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.536 24.5-173.6 -74.5 144.1 1.0 12.8 55.1 12 11 A V E -B 32 0B 0 20,-2.9 20,-2.1 -2,-0.2 2,-0.4 -0.949 15.8-157.8-137.3 153.6 -1.8 15.3 55.3 13 12 A A E +B 31 0B 0 375,-1.6 2,-0.3 -2,-0.3 379,-0.2 -0.989 14.3 176.0-132.0 146.0 -2.4 18.9 54.0 14 13 A F E -B 30 0B 0 16,-1.9 16,-2.7 -2,-0.4 2,-0.1 -0.952 37.0 -81.2-145.7 161.1 -4.9 21.4 55.4 15 14 A R E -B 29 0B 138 -2,-0.3 14,-0.2 14,-0.2 338,-0.1 -0.402 40.7-178.5 -70.1 141.4 -5.8 25.0 54.7 16 15 A D - 0 0 10 12,-1.8 334,-0.1 -2,-0.1 333,-0.0 -0.999 23.8-123.4-138.1 137.0 -3.8 27.9 56.2 17 16 A P - 0 0 10 0, 0.0 2,-2.2 0, 0.0 9,-0.1 -0.223 42.9 -87.6 -74.8 172.1 -4.4 31.6 55.9 18 17 A P + 0 0 0 0, 0.0 133,-1.3 0, 0.0 2,-0.4 -0.423 57.6 177.1 -82.1 68.1 -1.8 34.0 54.5 19 18 A L B -D 150 0C 0 -2,-2.2 7,-2.2 131,-0.2 131,-0.2 -0.576 20.9-137.9 -75.8 124.8 -0.1 34.7 57.9 20 19 A L E +F 25 0D 8 129,-3.0 129,-0.3 -2,-0.4 2,-0.3 -0.588 32.0 156.0 -86.7 149.7 3.0 36.9 57.5 21 20 A N E > -F 24 0D 5 3,-2.3 3,-2.2 -2,-0.2 171,-0.1 -0.935 58.8 -78.7-155.6 179.3 6.3 36.4 59.2 22 21 A A T 3 S+ 0 0 1 169,-0.5 394,-2.8 1,-0.3 392,-0.1 0.757 127.3 52.4 -54.9 -27.4 10.0 37.2 58.9 23 22 A A T 3 S- 0 0 0 392,-0.2 2,-0.5 1,-0.1 -1,-0.3 0.375 123.1 -95.6 -92.3 2.9 10.4 34.4 56.3 24 23 A G E < -F 21 0D 1 -3,-2.2 -3,-2.3 390,-0.1 2,-0.3 -0.948 66.7 -33.1 127.5-116.6 7.6 35.6 54.1 25 24 A V E -F 20 0D 0 377,-1.2 381,-0.2 -2,-0.5 -5,-0.2 -0.996 58.9-100.3-150.4 141.7 4.0 34.3 54.2 26 25 A H - 0 0 6 -7,-2.2 4,-0.1 -2,-0.3 -10,-0.0 -0.408 41.7-119.0 -62.6 142.0 2.4 31.0 55.0 27 26 A Q - 0 0 28 2,-0.2 -8,-0.2 1,-0.1 -11,-0.1 -0.274 28.4-102.8 -76.3 167.0 1.4 29.0 51.9 28 27 A P S S+ 0 0 15 0, 0.0 -12,-1.8 0, 0.0 2,-0.4 0.690 108.1 47.7 -71.8 -15.1 -2.3 28.1 51.4 29 28 A W E -B 15 0B 44 -14,-0.2 2,-0.4 366,-0.1 -2,-0.2 -0.994 69.5-158.6-122.0 132.8 -1.6 24.5 52.5 30 29 A A E -B 14 0B 13 -16,-2.7 -16,-1.9 -2,-0.4 2,-0.3 -0.833 18.5-140.5-102.5 147.0 0.2 23.5 55.7 31 30 A L E +B 13 0B 20 -2,-0.4 20,-0.9 -18,-0.2 2,-0.3 -0.835 24.8 165.2-112.7 146.0 1.6 20.0 55.8 32 31 A R E -BC 12 50B 4 -20,-2.1 -20,-2.9 -2,-0.3 2,-0.5 -0.946 27.8-131.8-144.2 167.1 1.9 17.4 58.6 33 32 A T E -BC 11 49B 0 16,-2.6 16,-2.4 -2,-0.3 2,-0.5 -0.992 17.1-153.3-124.7 127.7 2.5 13.7 59.0 34 33 A I E -BC 10 48B 2 -24,-3.0 -24,-3.0 -2,-0.5 2,-0.4 -0.856 8.9-162.8-102.1 134.2 0.3 11.6 61.0 35 34 A V E -BC 9 47B 0 12,-2.9 12,-2.3 -2,-0.5 2,-0.5 -0.932 6.9-172.4-118.0 133.8 1.6 8.4 62.6 36 35 A E E -BC 8 46B 7 -28,-2.8 -28,-3.1 -2,-0.4 2,-0.4 -0.963 7.1-161.6-127.2 117.0 -0.4 5.5 64.0 37 36 A V E -BC 7 45B 0 8,-2.6 8,-2.4 -2,-0.5 2,-0.4 -0.820 6.7-166.9 -96.0 134.6 1.3 2.7 65.9 38 37 A V E -BC 6 44B 3 -32,-2.7 -33,-3.0 -2,-0.4 -32,-1.9 -0.988 8.8-144.9-125.7 128.9 -0.6 -0.6 66.3 39 38 A T E > -B 4 0B 0 4,-2.4 3,-3.0 -2,-0.4 -35,-0.2 -0.470 34.3-102.5 -87.3 163.7 0.5 -3.3 68.7 40 39 A D T 3 S+ 0 0 82 -37,-2.3 -36,-0.1 1,-0.3 -1,-0.1 0.763 126.7 56.2 -53.2 -25.2 0.1 -7.1 68.1 41 40 A E T 3 S- 0 0 131 -38,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.468 120.5-110.2 -86.2 -6.4 -2.9 -6.7 70.4 42 41 A G < + 0 0 39 -3,-3.0 2,-0.4 1,-0.3 -2,-0.1 0.600 68.6 143.9 82.7 12.5 -4.5 -4.1 68.3 43 42 A I - 0 0 41 1,-0.0 -4,-2.4 2,-0.0 2,-0.3 -0.716 36.5-151.7 -82.1 136.6 -4.0 -1.2 70.7 44 43 A T E -C 38 0B 32 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.833 15.7-170.5-114.9 147.9 -3.3 2.0 68.7 45 44 A G E -C 37 0B 0 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.4 -0.981 12.8-142.9-131.4 150.9 -1.4 5.2 69.5 46 45 A L E +C 36 0B 2 -2,-0.3 2,-0.3 69,-0.2 73,-0.2 -0.866 18.0 172.1-113.7 144.0 -1.2 8.5 67.6 47 46 A G E -C 35 0B 0 -12,-2.3 -12,-2.9 -2,-0.4 2,-0.4 -0.953 13.2-154.7-139.7 167.6 1.6 11.0 66.9 48 47 A E E +C 34 0B 6 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.999 20.3 154.6-147.4 132.1 2.0 14.0 64.7 49 48 A T E -C 33 0B 0 -16,-2.4 -16,-2.6 -2,-0.4 276,-0.1 -0.780 46.8 -47.8-145.2-172.3 5.0 15.7 63.1 50 49 A Y E -C 32 0B 18 -18,-0.3 -18,-0.3 -2,-0.2 -1,-0.1 -0.194 35.1-146.6 -65.2 157.2 6.1 17.9 60.2 51 50 A G + 0 0 1 -20,-0.9 -19,-0.2 -19,-0.2 -1,-0.1 0.468 49.9 132.8-105.0 -1.8 5.0 17.2 56.6 52 51 A D > - 0 0 14 -21,-0.2 4,-3.2 1,-0.1 3,-0.4 -0.162 64.3-120.7 -54.3 140.6 8.1 18.3 54.8 53 52 A L H > S+ 0 0 62 345,-1.7 4,-2.7 1,-0.2 5,-0.2 0.877 109.0 50.0 -55.1 -46.0 9.2 15.7 52.2 54 53 A A H > S+ 0 0 45 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.883 115.6 44.5 -66.6 -35.6 12.7 15.0 53.5 55 54 A H H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.935 110.0 54.3 -67.7 -52.1 11.3 14.6 57.0 56 55 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.904 105.7 54.9 -48.2 -44.4 8.4 12.4 55.8 57 56 A E H X S+ 0 0 112 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.923 110.2 45.5 -59.1 -42.7 11.0 10.2 54.0 58 57 A Q H X S+ 0 0 10 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.889 111.2 51.8 -66.2 -41.3 12.8 9.6 57.3 59 58 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.941 111.9 47.2 -61.4 -43.9 9.6 9.0 59.2 60 59 A R H X S+ 0 0 107 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.943 113.0 49.2 -60.8 -48.9 8.6 6.4 56.7 61 60 A A H < S+ 0 0 45 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.919 114.6 44.2 -58.1 -46.3 12.0 4.8 56.8 62 61 A A H >< S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.2 4,-0.3 0.907 110.0 55.2 -65.1 -42.2 12.0 4.7 60.6 63 62 A A H >< S+ 0 0 4 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.902 102.1 58.1 -58.9 -39.9 8.4 3.4 60.8 64 63 A A T 3< S+ 0 0 78 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.682 107.9 48.7 -62.7 -18.8 9.3 0.5 58.5 65 64 A R T < S+ 0 0 125 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.310 93.5 75.3-110.9 9.1 11.9 -0.6 61.0 66 65 A L X + 0 0 1 -3,-1.6 3,-2.2 -4,-0.3 -62,-0.3 0.697 59.9 109.0 -93.3 -25.1 9.9 -0.4 64.3 67 66 A P T 3 S+ 0 0 57 0, 0.0 -62,-0.2 0, 0.0 3,-0.1 -0.290 79.7 34.0 -54.1 140.2 7.7 -3.6 64.2 68 67 A G T 3 S+ 0 0 49 -64,-2.5 2,-0.2 1,-0.4 -63,-0.1 0.092 94.1 109.8 99.8 -23.0 9.0 -6.1 66.7 69 68 A L S < S- 0 0 5 -3,-2.2 -65,-3.0 -65,-0.1 -1,-0.4 -0.596 71.6-116.3 -83.3 150.1 10.0 -3.5 69.3 70 69 A D B > -A 3 0A 44 -67,-0.2 3,-1.3 -2,-0.2 -67,-0.2 -0.610 15.6-126.8 -85.9 147.1 8.1 -3.0 72.5 71 70 A V T 3 S+ 0 0 0 -69,-2.1 50,-0.2 1,-0.3 3,-0.1 0.554 109.6 54.6 -73.8 -8.6 6.3 0.3 73.2 72 71 A Y T 3 S+ 0 0 115 -70,-0.2 2,-2.0 1,-0.1 3,-0.3 0.605 85.4 89.9 -90.8 -13.7 7.9 0.7 76.5 73 72 A A <> + 0 0 28 -3,-1.3 4,-2.5 1,-0.2 5,-0.2 -0.339 44.8 149.8 -83.9 58.7 11.3 0.4 74.9 74 73 A L H > + 0 0 31 -2,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.845 68.8 53.3 -66.0 -36.3 11.8 4.1 74.1 75 74 A H H > S+ 0 0 153 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.924 112.2 45.6 -63.2 -41.9 15.6 4.0 74.4 76 75 A R H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.903 112.0 50.6 -69.8 -39.7 15.8 1.2 71.9 77 76 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.921 109.4 52.5 -60.5 -43.0 13.3 2.9 69.6 78 77 A Y H X S+ 0 0 32 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.926 108.8 49.2 -58.9 -43.9 15.4 6.1 69.8 79 78 A R H X S+ 0 0 138 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.876 109.7 52.4 -62.9 -35.0 18.5 4.1 68.8 80 79 A R H X S+ 0 0 65 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.917 109.6 48.4 -69.4 -40.5 16.7 2.6 65.9 81 80 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.937 109.7 52.8 -61.7 -46.1 15.6 6.0 64.7 82 81 A A H X S+ 0 0 23 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.868 108.4 51.6 -58.4 -37.1 19.2 7.2 65.1 83 82 A D H < S+ 0 0 106 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.888 111.5 46.0 -63.9 -40.5 20.3 4.3 62.9 84 83 A V H < S+ 0 0 30 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.940 114.8 46.5 -70.6 -43.9 17.9 5.1 60.2 85 84 A V H >< S+ 0 0 3 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.795 82.4 169.1 -67.4 -30.2 18.7 8.8 60.2 86 85 A G T 3< S- 0 0 36 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.246 71.1 -33.6 49.4-133.1 22.5 8.1 60.2 87 86 A A T 3 S+ 0 0 88 -4,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.388 102.9 125.7-100.0 0.9 24.4 11.4 59.5 88 87 A N < - 0 0 105 -3,-1.6 2,-0.4 -4,-0.1 17,-0.1 -0.384 46.2-161.3 -50.9 133.2 21.6 12.6 57.2 89 88 A I - 0 0 74 16,-0.1 2,-0.5 11,-0.0 13,-0.1 -0.996 6.6-146.1-124.0 123.8 20.6 16.0 58.6 90 89 A V - 0 0 12 -2,-0.4 2,-0.4 11,-0.3 11,-0.3 -0.809 17.3-172.0 -96.5 125.1 17.2 17.4 57.5 91 90 A T - 0 0 93 -2,-0.5 -37,-0.1 9,-0.1 8,-0.1 -0.965 12.2-140.8-121.0 132.2 17.2 21.2 57.1 92 91 A D - 0 0 21 -2,-0.4 8,-0.1 1,-0.1 309,-0.1 -0.234 19.9-116.6 -86.6 174.9 14.0 23.2 56.5 93 92 A M S S+ 0 0 93 307,-0.5 310,-0.2 1,-0.1 311,-0.1 0.399 102.2 42.9 -93.5 4.1 13.6 26.2 54.1 94 93 A H S S- 0 0 15 4,-0.1 -1,-0.1 308,-0.1 4,-0.1 0.683 79.4-143.6-126.7 -29.6 12.8 28.9 56.6 95 94 A G > + 0 0 18 3,-0.1 3,-1.8 1,-0.1 4,-0.0 0.594 54.4 134.9 76.1 12.6 15.0 28.6 59.7 96 95 A L T 3 S+ 0 0 9 1,-0.3 170,-0.1 2,-0.0 -1,-0.1 0.588 74.4 45.7 -77.6 -9.8 12.2 29.7 62.1 97 96 A T T 3 S- 0 0 2 1,-0.4 -1,-0.3 170,-0.1 170,-0.1 -0.070 118.8-111.2-111.9 29.0 13.1 26.9 64.5 98 97 A G < - 0 0 13 -3,-1.8 -1,-0.4 -4,-0.1 170,-0.1 -0.180 60.4 -16.8 77.1-168.6 16.8 27.6 64.4 99 98 A S - 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0 0 0 -4,-0.7 4,-0.5 -5,-0.2 -3,-0.2 0.789 68.4 -51.8 98.2 33.1 12.5 14.7 71.0 296 295 A G S > S+ 0 0 0 -186,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 127.6 48.1 -71.8 -44.2 7.4 14.4 75.8 298 297 A V H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.961 114.0 46.2 -65.0 -47.9 9.8 12.6 78.2 299 298 A R H > S+ 0 0 87 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.875 111.9 53.1 -62.0 -35.5 12.9 14.3 76.7 300 299 A S H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.893 106.6 51.7 -64.2 -42.7 11.0 17.6 76.9 301 300 A A H X S+ 0 0 23 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.883 107.6 53.6 -61.2 -41.0 10.2 17.1 80.5 302 301 A H H X S+ 0 0 130 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.919 109.3 47.8 -57.1 -49.2 14.0 16.4 81.2 303 302 A I H X S+ 0 0 17 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.871 106.0 58.4 -63.2 -35.9 14.9 19.7 79.6 304 303 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.924 107.0 47.6 -56.7 -42.6 12.2 21.5 81.6 305 304 A T H X S+ 0 0 95 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.891 111.4 51.6 -63.8 -40.4 13.9 20.3 84.8 306 305 A L H X S+ 0 0 54 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.939 110.6 47.7 -65.9 -47.1 17.3 21.4 83.4 307 306 A C H <>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 4,-0.3 0.926 109.5 51.8 -57.6 -47.4 16.0 24.9 82.6 308 307 A A H ><5S+ 0 0 55 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.921 106.9 55.5 -58.9 -43.0 14.3 25.4 86.0 309 308 A T H 3<5S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.872 111.9 41.7 -56.7 -42.2 17.6 24.4 87.7 310 309 A F T 3<5S- 0 0 91 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.282 120.7-107.1 -92.1 8.2 19.5 27.1 85.8 311 310 A G T < 5S+ 0 0 54 -3,-1.6 2,-0.6 -4,-0.3 -3,-0.2 0.706 73.0 138.8 77.4 21.1 16.7 29.7 86.3 312 311 A I < - 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