==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-MAR-97 1KVS . COMPND 2 MOLECULE: UDP-GALACTOSE 4-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.B.THODEN,A.GULICK,H.M.HOLDEN . 338 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 29 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.0 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 0 1 2 0 2 1 1 1 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 3 1 0 2 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 . 1 1 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 . 2 1 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 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 1 A M 0 0 61 0, 0.0 25,-2.4 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 165.5 75.9 51.4 12.1 2 2 A R E -a 26 0A 78 71,-0.2 73,-2.8 23,-0.2 74,-1.8 -0.839 360.0-177.5 -99.1 106.7 75.3 48.3 14.2 3 3 A V E -ab 27 76A 0 23,-2.8 25,-2.2 -2,-0.8 2,-0.7 -0.864 25.2-151.1-116.9 141.8 71.7 48.2 15.2 4 4 A L E -ab 28 77A 0 72,-1.9 74,-3.1 -2,-0.4 2,-0.8 -0.902 13.5-168.0-101.8 117.5 69.6 45.9 17.3 5 5 A V E > -ab 29 78A 0 23,-2.7 25,-1.6 -2,-0.7 3,-1.2 -0.821 5.5-162.9-108.6 94.8 66.0 45.9 16.2 6 6 A T E 3 S+ab 30 79A 0 72,-1.5 74,-1.2 -2,-0.8 25,-0.2 -0.319 82.4 21.3 -68.3 152.7 63.9 44.2 18.8 7 7 A G T > S+ 0 0 7 23,-2.6 3,-2.0 73,-0.2 6,-0.4 0.713 85.8 151.3 58.8 17.5 60.5 43.1 17.6 8 8 A G T < + 0 0 0 -3,-1.2 9,-0.2 22,-0.6 -1,-0.1 0.617 64.4 50.4 -55.7 -22.7 62.2 43.3 14.2 9 9 A S T 3 S+ 0 0 6 21,-0.1 28,-0.3 -4,-0.1 -1,-0.3 0.551 94.0 99.4 -94.4 -8.0 60.0 40.7 12.6 10 10 A G S <> S- 0 0 17 -3,-2.0 4,-1.4 26,-0.1 5,-0.2 0.104 94.3 -84.0 -62.5-174.8 56.9 42.4 13.8 11 11 A Y H > S+ 0 0 32 2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.962 123.1 24.8 -62.3 -60.6 54.8 44.6 11.7 12 12 A I H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.917 121.2 57.5 -76.0 -36.7 56.5 48.0 11.9 13 13 A G H > S+ 0 0 1 -6,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.768 99.9 58.4 -65.0 -25.3 59.9 46.5 12.7 14 14 A S H X S+ 0 0 2 -4,-1.4 4,-1.7 -7,-0.2 -1,-0.2 0.894 109.1 43.0 -72.7 -37.0 60.0 44.5 9.6 15 15 A H H X S+ 0 0 0 -4,-0.8 4,-2.0 -3,-0.4 -2,-0.2 0.878 112.5 53.1 -76.0 -35.2 59.6 47.5 7.3 16 16 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.955 107.6 52.8 -63.1 -42.6 62.1 49.5 9.3 17 17 A C H X S+ 0 0 0 -4,-2.0 4,-2.1 -9,-0.2 -1,-0.2 0.892 105.6 53.2 -59.1 -42.7 64.5 46.6 8.9 18 18 A V H X S+ 0 0 1 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.977 113.6 43.2 -54.2 -52.0 64.1 46.6 5.1 19 19 A Q H X S+ 0 0 31 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.777 110.4 54.9 -67.1 -29.2 64.9 50.4 5.0 20 20 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-0.3 0.925 110.6 47.2 -68.0 -42.7 67.8 50.1 7.5 21 21 A L H ><5S+ 0 0 5 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.792 105.9 57.8 -67.4 -32.2 69.3 47.5 5.2 22 22 A Q H 3<5S+ 0 0 113 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.800 105.3 50.9 -69.3 -26.1 68.7 49.7 2.1 23 23 A N T 3<5S- 0 0 95 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.302 122.9-112.4 -93.1 10.1 70.9 52.3 3.8 24 24 A G T < 5 + 0 0 48 -3,-1.3 -3,-0.2 24,-0.2 2,-0.2 0.669 63.5 150.5 68.9 26.9 73.5 49.6 4.4 25 25 A H < - 0 0 14 -5,-2.3 2,-0.7 1,-0.1 -1,-0.2 -0.530 53.3-109.4 -85.3 158.4 73.3 49.4 8.2 26 26 A D E -a 2 0A 65 -25,-2.4 -23,-2.8 -2,-0.2 2,-0.5 -0.761 40.7-159.4 -87.8 115.0 74.1 46.1 9.9 27 27 A V E -a 3 0A 5 -2,-0.7 26,-2.8 24,-0.3 2,-0.5 -0.831 18.6-176.8-106.8 135.0 70.8 44.8 11.3 28 28 A I E -ac 4 53A 3 -25,-2.2 -23,-2.7 -2,-0.5 2,-0.3 -0.964 15.5-155.6-128.9 111.0 70.3 42.3 14.1 29 29 A I E -ac 5 54A 0 24,-3.7 26,-1.6 -2,-0.5 2,-0.4 -0.635 7.8-169.7 -85.4 142.0 66.7 41.3 14.7 30 30 A L E +ac 6 55A 2 -25,-1.6 -23,-2.6 -2,-0.3 -22,-0.6 -0.974 21.7 150.5-135.4 113.4 65.6 40.0 18.1 31 31 A D E - c 0 56A 14 24,-1.7 26,-1.0 -2,-0.4 27,-0.1 -0.997 42.3-156.3-147.3 140.6 62.1 38.6 18.3 32 32 A N - 0 0 50 -2,-0.3 26,-0.1 24,-0.2 24,-0.1 0.336 42.6-132.9 -95.4 5.1 60.3 36.0 20.3 33 33 A L + 0 0 37 1,-0.1 5,-0.1 24,-0.1 23,-0.0 0.772 60.1 140.0 49.8 38.7 57.8 35.6 17.5 34 34 A C S S+ 0 0 80 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.691 90.0 15.8 -80.3 -12.7 54.8 35.7 19.7 35 35 A N S S+ 0 0 94 158,-0.0 2,-0.3 48,-0.0 -1,-0.2 0.110 127.2 53.5-144.6 20.6 53.1 37.8 17.1 36 36 A S - 0 0 22 -26,-0.1 2,-0.3 157,-0.0 -26,-0.1 -0.939 66.6-131.4-149.8 167.6 55.3 37.3 14.1 37 37 A K > - 0 0 53 -28,-0.3 3,-1.5 -2,-0.3 4,-0.3 -0.893 22.2-123.4-127.0 151.8 56.7 34.4 12.0 38 38 A R T > S+ 0 0 136 -2,-0.3 3,-2.7 1,-0.3 -1,-0.1 0.883 99.9 83.9 -58.9 -37.3 60.1 33.5 10.6 39 39 A S T 3> S+ 0 0 29 298,-0.4 4,-0.6 1,-0.3 -1,-0.3 0.613 84.0 61.3 -44.4 -9.7 58.6 33.5 7.1 40 40 A V H <> S+ 0 0 1 -3,-1.5 4,-3.0 1,-0.2 3,-0.4 0.853 84.2 74.5 -88.6 -34.6 59.2 37.1 7.1 41 41 A L H <> S+ 0 0 23 -3,-2.7 4,-2.5 -4,-0.3 -2,-0.2 0.841 94.8 50.7 -44.1 -44.9 62.9 37.1 7.4 42 42 A P H > S+ 0 0 80 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.937 111.8 47.8 -63.8 -42.9 63.5 36.0 3.9 43 43 A V H X S+ 0 0 19 -4,-0.6 4,-2.6 -3,-0.4 5,-0.4 0.893 109.6 52.4 -60.8 -47.9 61.2 38.8 2.6 44 44 A I H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 6,-0.2 0.937 111.1 51.0 -53.2 -42.8 63.0 41.3 4.8 45 45 A E H X>S+ 0 0 78 -4,-2.5 4,-1.7 -5,-0.3 5,-1.2 0.959 112.1 42.8 -56.2 -61.3 66.1 39.9 3.2 46 46 A R H <5S+ 0 0 143 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.918 119.2 41.7 -51.0 -59.5 65.0 40.3 -0.4 47 47 A L H <5S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.778 114.7 53.1 -63.2 -31.5 63.5 43.7 -0.1 48 48 A G H <5S- 0 0 1 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.748 97.0-139.5 -77.9 -23.5 66.3 44.9 2.1 49 49 A G T <5S+ 0 0 58 -4,-1.7 2,-0.3 -3,-0.3 -3,-0.2 0.756 76.3 63.2 70.4 24.4 68.9 43.8 -0.4 50 50 A K S - 0 0 35 -2,-0.3 3,-2.4 1,-0.1 7,-0.2 -0.938 15.1-140.8-120.6 136.4 63.0 37.5 24.7 59 59 A I T 3 S+ 0 0 7 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.735 103.9 66.1 -60.5 -22.5 63.5 41.1 25.8 60 60 A R T 3 S+ 0 0 76 1,-0.2 2,-1.7 46,-0.1 -1,-0.3 0.615 78.1 94.0 -75.8 -8.7 62.9 40.0 29.3 61 61 A N X> - 0 0 77 -3,-2.4 4,-2.5 1,-0.2 3,-1.1 -0.508 54.7-178.7 -85.9 79.1 66.1 37.9 29.1 62 62 A E H 3> S+ 0 0 63 -2,-1.7 4,-3.1 1,-0.3 -1,-0.2 0.839 79.4 47.8 -39.4 -52.8 68.6 40.4 30.5 63 63 A A H 3> S+ 0 0 70 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.785 112.0 48.5 -65.3 -33.8 71.6 38.0 30.1 64 64 A L H <> S+ 0 0 43 -3,-1.1 4,-3.0 2,-0.2 3,-0.2 0.905 113.0 47.6 -72.1 -46.1 70.8 37.2 26.5 65 65 A M H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.3 5,-0.3 0.987 111.2 51.7 -59.2 -54.0 70.3 40.8 25.5 66 66 A T H X S+ 0 0 23 -4,-3.1 4,-1.3 -5,-0.3 -1,-0.3 0.797 112.3 47.0 -55.3 -24.3 73.5 41.7 27.2 67 67 A E H X S+ 0 0 107 -4,-0.6 4,-3.2 -3,-0.2 5,-0.3 0.897 110.2 50.5 -84.0 -39.2 75.2 39.0 25.3 68 68 A I H X S+ 0 0 5 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.912 109.6 51.4 -62.6 -41.2 73.7 40.0 22.0 69 69 A L H <>S+ 0 0 2 -4,-3.3 5,-2.2 -5,-0.2 4,-0.4 0.916 116.0 39.9 -62.5 -46.1 74.7 43.5 22.5 70 70 A H H ><5S+ 0 0 109 -4,-1.3 3,-2.4 -5,-0.3 -2,-0.2 0.986 114.4 53.2 -64.3 -59.2 78.3 42.7 23.3 71 71 A D H 3<5S+ 0 0 110 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.824 116.5 38.0 -43.8 -42.6 78.5 39.9 20.7 72 72 A H T 3<5S- 0 0 43 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.409 103.6-123.4-100.6 9.3 77.4 42.1 17.9 73 73 A A T < 5 - 0 0 58 -3,-2.4 2,-0.2 -4,-0.4 -3,-0.2 0.959 37.5-154.8 50.6 54.2 79.1 45.3 18.9 74 74 A I < - 0 0 12 -5,-2.2 -71,-0.2 -6,-0.1 -1,-0.2 -0.411 23.3-175.9 -67.4 133.0 75.8 47.1 18.9 75 75 A D - 0 0 68 -73,-2.8 42,-0.5 1,-0.4 43,-0.3 0.839 69.9 -1.2 -92.9 -39.2 75.9 50.9 18.3 76 76 A T E -b 3 0A 2 -74,-1.8 -72,-1.9 41,-0.1 2,-0.4 -0.973 64.2-136.7-150.7 157.5 72.2 51.7 18.9 77 77 A V E -bd 4 119A 0 41,-1.6 43,-2.3 -2,-0.3 2,-0.6 -0.976 2.3-159.0-127.1 131.4 69.0 49.9 19.6 78 78 A I E -bd 5 120A 1 -74,-3.1 -72,-1.5 -2,-0.4 2,-1.0 -0.921 15.7-157.6-106.8 112.3 65.5 50.3 18.1 79 79 A H E +bd 6 121A 1 41,-3.5 43,-1.3 -2,-0.6 -72,-0.1 -0.657 38.2 139.2-101.1 85.3 62.9 48.9 20.5 80 80 A F + 0 0 25 -74,-1.2 -73,-0.2 -2,-1.0 -1,-0.2 0.581 40.1 115.4 -92.4 -13.4 59.6 47.9 18.8 81 81 A A + 0 0 16 -3,-0.2 2,-0.3 -51,-0.1 41,-0.1 -0.355 42.7 78.5 -64.9 132.5 59.1 44.7 20.7 82 82 A G S S- 0 0 35 -2,-0.1 2,-0.3 -75,-0.1 18,-0.1 -0.968 75.1 -66.5 162.2-171.9 56.1 44.4 23.1 83 83 A L + 0 0 28 -2,-0.3 -48,-0.0 13,-0.2 -2,-0.0 -0.866 38.3 169.9-111.5 143.5 52.3 43.7 23.4 84 84 A K + 0 0 92 -2,-0.3 2,-1.1 16,-0.0 3,-0.1 0.082 28.1 126.7-142.6 22.9 49.8 46.2 22.0 85 85 A A > - 0 0 16 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.770 40.3-164.1 -89.1 104.2 46.3 44.8 22.1 86 86 A V H >> S+ 0 0 76 -2,-1.1 3,-1.0 1,-0.2 4,-0.9 0.975 84.6 47.8 -47.2 -65.0 44.5 47.6 23.9 87 87 A G H >> S+ 0 0 43 1,-0.3 3,-1.2 2,-0.2 4,-0.9 0.825 112.9 46.5 -47.7 -49.3 41.5 45.5 24.7 88 88 A E H 3> S+ 0 0 89 1,-0.3 4,-4.3 2,-0.2 3,-0.4 0.821 101.4 66.8 -66.3 -26.7 43.4 42.5 25.9 89 89 A S H << S+ 0 0 0 -4,-2.2 -1,-0.3 -3,-1.0 -2,-0.2 0.786 98.9 54.2 -64.0 -20.6 45.5 44.7 28.0 90 90 A V H << S+ 0 0 80 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.796 114.3 39.1 -82.4 -26.2 42.4 45.4 30.0 91 91 A Q H < S+ 0 0 151 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.1 0.862 129.4 29.9 -87.9 -37.4 41.8 41.8 30.5 92 92 A K X + 0 0 88 -4,-4.3 4,-0.6 1,-0.2 3,-0.4 -0.582 67.4 156.8-122.3 71.7 45.4 40.8 31.1 93 93 A P H >> + 0 0 50 0, 0.0 3,-3.4 0, 0.0 4,-2.1 0.978 69.0 61.6 -53.9 -61.0 47.1 43.8 32.6 94 94 A L H 3> S+ 0 0 140 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.780 101.5 52.2 -36.6 -42.3 49.9 41.9 34.2 95 95 A E H 3> S+ 0 0 76 -3,-0.4 4,-1.6 2,-0.2 -1,-0.3 0.735 108.7 51.3 -77.7 -15.4 51.2 40.6 31.0 96 96 A Y H S+ 0 0 7 -3,-3.4 4,-2.6 -4,-0.6 5,-0.8 0.927 109.5 46.8 -88.3 -44.5 51.3 44.0 29.6 97 97 A Y H <>S+ 0 0 64 -4,-2.1 5,-2.6 1,-0.2 4,-0.3 0.856 114.9 50.9 -59.5 -33.2 53.3 45.5 32.4 98 98 A D H <>S+ 0 0 61 -4,-1.7 5,-1.7 -5,-0.3 -1,-0.2 0.929 117.1 35.2 -71.0 -50.1 55.6 42.5 32.2 99 99 A N H <5S+ 0 0 12 -4,-1.6 5,-0.3 3,-0.2 -2,-0.2 0.874 130.7 31.1 -74.5 -34.1 56.4 42.6 28.5 100 100 A N T X5S+ 0 0 4 -4,-2.6 4,-1.6 -5,-0.2 5,-0.2 0.945 130.8 27.3 -89.0 -59.7 56.3 46.4 28.1 101 101 A V H >X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 3,-0.9 0.926 107.8 59.1 -64.4 -43.9 71.6 45.2 29.6 111 111 A M H 3X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.3 4,-0.7 0.961 104.7 51.4 -48.3 -49.7 72.4 48.2 27.4 112 112 A R H 3<5S+ 0 0 89 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.790 109.6 49.6 -56.2 -35.0 73.9 49.7 30.5 113 113 A A H <<5S+ 0 0 52 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.886 113.0 45.1 -72.9 -42.2 75.9 46.6 31.1 114 114 A A H <5S- 0 0 10 -4,-3.1 -2,-0.2 2,-0.1 -1,-0.2 0.402 114.9-111.7 -85.3 9.2 77.2 46.4 27.5 115 115 A N T <5 + 0 0 132 -4,-0.7 2,-0.5 -5,-0.3 -3,-0.2 0.939 65.6 152.0 62.3 45.0 78.0 50.1 27.4 116 116 A V < + 0 0 6 -5,-2.7 -1,-0.2 -6,-0.2 -40,-0.1 -0.907 11.3 163.4-106.1 128.8 75.2 50.7 24.8 117 117 A K + 0 0 66 -42,-0.5 54,-3.2 -2,-0.5 2,-0.4 0.315 40.3 89.6-138.5 21.8 73.8 54.2 25.0 118 118 A N E + e 0 171A 8 -43,-0.3 -41,-1.6 52,-0.2 2,-0.3 -0.978 54.1 174.0-117.6 125.0 71.8 55.1 21.8 119 119 A F E -de 77 172A 4 52,-3.6 54,-2.6 -2,-0.4 2,-0.4 -1.000 26.6-166.7-146.1 145.0 68.1 54.2 21.9 120 120 A I E -de 78 173A 6 -43,-2.3 -41,-3.5 -2,-0.3 2,-0.4 -0.998 18.4-159.3-128.3 117.0 64.8 54.5 20.0 121 121 A F E -de 79 174A 3 52,-2.6 54,-1.6 -2,-0.4 2,-1.1 -0.829 19.4-129.2-105.2 139.6 61.6 53.7 21.7 122 122 A S E + e 0 175A 8 -43,-1.3 54,-0.2 -2,-0.4 2,-0.1 -0.748 45.0 167.3 -85.6 94.8 58.2 52.8 20.1 123 123 A S E - e 0 176A 3 52,-3.2 54,-1.9 -2,-1.1 2,-0.3 -0.416 21.9-127.4-101.1-171.9 55.9 55.2 21.9 124 124 A T E > - e 0 177A 19 52,-0.3 3,-0.8 -2,-0.1 54,-0.2 -0.897 21.3-124.2-136.4 166.5 52.3 56.2 21.3 125 125 A A G > S+ 0 0 1 52,-1.6 3,-1.8 -2,-0.3 4,-0.3 0.735 104.1 78.2 -76.9 -20.7 49.9 59.2 20.8 126 126 A T G > S+ 0 0 36 1,-0.3 3,-1.9 51,-0.2 -1,-0.2 0.748 73.4 77.6 -61.9 -22.2 47.9 57.7 23.7 127 127 A V G < S+ 0 0 0 -3,-0.8 16,-1.8 1,-0.3 -1,-0.3 0.827 82.6 66.4 -58.6 -26.5 50.5 59.1 26.1 128 128 A Y G < S- 0 0 2 -3,-1.8 -1,-0.3 14,-0.2 -2,-0.2 0.738 91.6-164.3 -67.6 -20.8 48.8 62.5 25.6 129 129 A G < - 0 0 8 -3,-1.9 2,-1.4 -4,-0.3 -1,-0.2 -0.407 54.7 -16.1 71.1-150.2 45.8 61.1 27.2 130 130 A D S S+ 0 0 131 14,-0.1 -1,-0.2 -3,-0.1 -4,-0.0 -0.658 82.0 165.6 -92.9 76.9 42.5 62.9 26.9 131 131 A N - 0 0 20 -2,-1.4 -2,-0.1 1,-0.1 -3,-0.1 -0.866 28.4-162.8 -99.1 116.5 43.9 66.2 25.7 132 132 A P + 0 0 113 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.657 67.5 95.1 -73.3 -17.1 41.4 68.5 24.2 133 133 A K S S- 0 0 116 4,-0.0 4,-0.2 -3,-0.0 -2,-0.1 -0.678 74.0-137.3 -81.5 115.4 44.1 70.5 22.5 134 134 A I S S+ 0 0 60 -2,-0.7 2,-0.2 2,-0.1 167,-0.1 -0.967 74.0 36.3-125.8 139.9 44.5 69.2 18.9 135 135 A P S S- 0 0 41 0, 0.0 2,-0.3 0, 0.0 166,-0.2 0.561 94.2-118.3 -75.4 173.2 46.8 68.6 17.1 136 136 A Y B -g 301 0B 2 164,-2.3 166,-1.9 -2,-0.2 2,-0.4 -0.600 25.9-160.0 -85.0 138.9 49.1 67.2 19.7 137 137 A V > - 0 0 32 -2,-0.3 3,-2.2 -4,-0.2 166,-0.1 -0.934 24.8-128.6-119.9 140.6 52.4 68.9 20.4 138 138 A E T 3 S+ 0 0 18 -2,-0.4 -1,-0.1 164,-0.3 121,-0.1 0.780 107.9 62.6 -51.1 -34.7 55.5 67.3 22.1 139 139 A S T 3 S+ 0 0 100 119,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.498 81.1 102.1 -73.3 -6.5 55.7 70.3 24.5 140 140 A F S < S- 0 0 32 -3,-2.2 2,-0.1 1,-0.1 -4,-0.0 -0.506 83.2-110.8 -72.8 151.1 52.2 69.4 26.0 141 141 A P - 0 0 98 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.409 38.2-100.6 -76.8 162.2 52.4 67.6 29.3 142 142 A T - 0 0 56 1,-0.1 -14,-0.2 -2,-0.1 -13,-0.1 -0.565 36.4-156.8 -85.2 152.9 51.4 63.9 29.3 143 143 A G - 0 0 27 -16,-1.8 -14,-0.2 -2,-0.2 -1,-0.1 0.069 32.4 -73.9-102.8-147.5 48.0 62.8 30.5 144 144 A T - 0 0 103 -16,-0.2 -14,-0.1 -2,-0.0 7,-0.1 -0.873 41.6-138.3-124.3 95.7 46.6 59.5 31.9 145 145 A P - 0 0 3 0, 0.0 6,-0.1 0, 0.0 -18,-0.1 -0.224 9.5-135.0 -54.5 139.5 46.0 56.8 29.3 146 146 A Q S S+ 0 0 145 148,-0.1 148,-0.0 -20,-0.1 3,-0.0 0.663 83.5 60.9 -68.9 -20.5 42.6 54.7 29.7 147 147 A S S > S- 0 0 11 1,-0.1 4,-3.1 147,-0.1 5,-0.2 -0.811 80.7-126.7-117.6 151.8 44.4 51.3 29.2 148 148 A P H > S+ 0 0 20 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.852 117.3 54.2 -60.4 -31.6 47.2 49.3 30.8 149 149 A Y H > S+ 0 0 34 -63,-0.3 4,-2.0 2,-0.2 5,-0.2 0.984 109.0 46.7 -66.0 -43.8 48.8 49.2 27.4 150 150 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 114.2 49.5 -58.6 -45.1 48.7 53.1 27.3 151 151 A K H X S+ 0 0 58 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.879 105.0 55.3 -64.3 -45.2 50.0 53.1 30.8 152 152 A S H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.962 108.6 50.2 -61.7 -38.7 52.9 50.8 30.1 153 153 A K H X S+ 0 0 16 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.945 112.7 45.2 -59.4 -48.9 54.1 53.0 27.3 154 154 A L H X S+ 0 0 18 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.914 110.6 53.0 -64.6 -41.8 54.0 56.1 29.4 155 155 A M H X S+ 0 0 73 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.912 108.9 50.4 -61.5 -37.0 55.6 54.5 32.3 156 156 A V H X S+ 0 0 1 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.937 105.8 56.1 -66.4 -42.2 58.5 53.4 30.1 157 157 A E H X S+ 0 0 7 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.926 109.4 47.4 -60.2 -31.2 58.8 56.9 28.8 158 158 A Q H X S+ 0 0 102 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.935 112.1 48.4 -72.7 -41.2 59.2 58.1 32.3 159 159 A I H X S+ 0 0 51 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.959 111.9 49.0 -61.9 -51.8 61.8 55.4 33.2 160 160 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.895 112.8 48.4 -56.5 -38.9 63.8 56.1 30.1 161 161 A T H X S+ 0 0 55 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.885 112.0 48.8 -69.9 -37.9 63.7 59.9 30.8 162 162 A D H X S+ 0 0 105 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.867 112.8 48.2 -69.3 -38.7 64.8 59.3 34.4 163 163 A L H >X S+ 0 0 27 -4,-2.9 4,-2.7 2,-0.2 3,-0.8 0.987 106.2 57.0 -63.6 -56.4 67.6 57.0 33.2 164 164 A Q H 3< S+ 0 0 30 -4,-2.6 6,-0.3 1,-0.3 -1,-0.2 0.827 107.4 50.5 -40.8 -40.2 68.8 59.5 30.6 165 165 A K H 3< S+ 0 0 165 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.879 111.6 44.2 -70.2 -40.6 69.2 62.0 33.4 166 166 A A H << S+ 0 0 71 -4,-1.5 -2,-0.2 -3,-0.8 -1,-0.2 0.772 125.4 36.0 -76.8 -22.2 71.2 59.7 35.6 167 167 A Q S >< S- 0 0 60 -4,-2.7 3,-2.0 -5,-0.1 -1,-0.3 -0.740 76.0-179.8-129.9 74.0 73.3 58.7 32.6 168 168 A P T 3 S+ 0 0 82 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.379 70.2 71.6 -61.3 -1.4 73.5 61.9 30.5 169 169 A D T 3 S+ 0 0 88 85,-0.1 2,-0.1 2,-0.0 83,-0.1 0.581 77.7 110.8 -91.4 -7.2 75.6 60.5 27.7 170 170 A W < - 0 0 2 -3,-2.0 85,-2.6 -6,-0.3 2,-0.7 -0.347 58.7-149.3 -70.6 143.1 72.5 58.5 26.5 171 171 A S E +ef 118 255A 3 -54,-3.2 -52,-3.6 83,-0.2 2,-0.5 -0.885 24.3 174.0-113.1 100.8 70.7 59.3 23.4 172 172 A I E -ef 119 256A 0 83,-2.8 85,-2.8 -2,-0.7 2,-0.5 -0.929 14.6-164.9-117.5 121.9 67.0 58.4 23.7 173 173 A A E -ef 120 257A 2 -54,-2.6 -52,-2.6 -2,-0.5 2,-0.9 -0.853 7.9-155.9-102.2 128.7 64.3 59.1 21.2 174 174 A L E -ef 121 258A 0 83,-2.2 85,-2.2 -2,-0.5 2,-0.9 -0.811 14.2-167.9-105.1 90.5 60.6 58.9 22.2 175 175 A L E -ef 122 259A 1 -54,-1.6 -52,-3.2 -2,-0.9 2,-1.0 -0.732 4.3-159.5 -85.6 105.7 58.9 58.3 18.9 176 176 A R E -ef 123 260A 6 83,-2.6 85,-2.8 -2,-0.9 -52,-0.3 -0.784 10.9-153.7 -90.2 102.5 55.2 58.7 19.5 177 177 A Y E -ef 124 261A 18 -54,-1.9 -52,-1.6 -2,-1.0 -51,-0.2 -0.382 10.5-167.1 -75.9 153.1 53.3 56.9 16.8 178 178 A F - 0 0 11 83,-1.2 -53,-0.2 -54,-0.2 55,-0.2 0.522 63.5 -29.0 -99.6-113.1 49.9 57.9 15.6 179 179 A N E -h 233 0C 29 53,-2.5 55,-2.5 -54,-0.0 2,-0.3 -0.734 64.5-162.6-116.1 85.5 47.9 55.5 13.4 180 180 A P E +h 234 0C 32 0, 0.0 2,-0.2 0, 0.0 55,-0.2 -0.528 22.5 151.5 -72.7 126.9 50.3 53.4 11.3 181 181 A V E +h 235 0C 7 53,-1.6 55,-3.4 -2,-0.3 56,-0.2 -0.738 23.0 58.4-136.4-177.9 48.8 51.6 8.2 182 182 A G - 0 0 2 -2,-0.2 9,-0.5 53,-0.2 2,-0.3 -0.311 57.8-113.5 91.5-172.8 49.8 50.4 4.9 183 183 A A B -I 190 0D 0 7,-0.1 54,-0.2 -2,-0.1 7,-0.2 -0.951 41.0 -61.2-155.9 173.1 52.3 48.0 3.5 184 184 A H > - 0 0 24 5,-0.7 3,-2.9 -2,-0.3 5,-0.3 -0.414 50.2-122.2 -62.8 134.4 55.5 47.6 1.5 185 185 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.683 109.8 68.0 -50.4 -26.3 54.8 48.8 -2.1 186 186 A S T 3 S- 0 0 32 1,-0.1 -2,-0.1 141,-0.0 138,-0.0 0.706 101.2-133.6 -67.2 -22.9 55.9 45.5 -3.4 187 187 A G S < S+ 0 0 0 -3,-2.9 144,-0.1 2,-0.2 -1,-0.1 0.537 83.2 104.4 77.6 6.1 52.7 44.0 -1.8 188 188 A D S S+ 0 0 24 -4,-0.1 2,-0.3 -145,-0.1 -145,-0.1 0.564 76.6 43.3 -95.3 -13.5 55.0 41.3 -0.4 189 189 A M S S+ 0 0 0 -5,-0.3 -5,-0.7 -146,-0.1 2,-0.3 -0.943 70.3 133.4-129.5 150.6 55.1 42.5 3.2 190 190 A G B -I 183 0D 1 -2,-0.3 2,-0.2 -7,-0.2 -7,-0.1 -0.994 58.3 -56.3-177.5 174.9 52.3 43.9 5.3 191 191 A E - 0 0 27 -9,-0.5 144,-0.0 -2,-0.3 -181,-0.0 -0.511 45.9-172.1 -69.0 139.4 50.6 43.9 8.6 192 192 A D - 0 0 39 -157,-0.2 -1,-0.1 -2,-0.2 144,-0.1 -0.409 3.4-175.1-132.0 62.5 49.6 40.3 9.4 193 193 A P - 0 0 24 0, 0.0 2,-0.5 0, 0.0 -157,-0.0 -0.240 21.2-132.5 -59.1 138.3 47.3 40.3 12.5 194 194 A Q S S- 0 0 109 2,-0.1 2,-0.2 -159,-0.1 -2,-0.0 -0.764 71.9 -7.6 -90.0 132.3 46.4 36.8 13.8 195 195 A G S S- 0 0 48 -2,-0.5 0, 0.0 2,-0.0 0, 0.0 -0.590 124.7 -2.3 85.6-154.3 42.6 36.4 14.6 196 196 A I S S- 0 0 109 -2,-0.2 -2,-0.1 1,-0.1 2,-0.1 -0.646 78.5-121.0 -80.4 130.1 40.3 39.4 14.5 197 197 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.370 15.6-160.6 -65.6 136.0 42.0 42.6 13.7 198 198 A N + 0 0 92 -2,-0.1 2,-0.3 5,-0.0 -111,-0.0 0.681 67.3 80.3 -92.2 -15.1 41.6 45.3 16.3 199 199 A N S > S- 0 0 68 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.678 82.1-119.8 -96.7 146.7 42.5 48.1 13.9 200 200 A L H > S+ 0 0 31 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.926 105.0 44.5 -43.3 -71.6 40.5 50.0 11.3 201 201 A M H > S+ 0 0 3 1,-0.2 4,-3.8 2,-0.2 5,-0.4 0.931 113.1 46.5 -47.5 -60.5 42.5 49.2 8.2 202 202 A P H > S+ 0 0 10 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.941 113.8 52.2 -49.3 -43.6 43.2 45.5 8.7 203 203 A Y H X S+ 0 0 56 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.938 111.4 46.7 -54.5 -48.6 39.6 45.1 9.5 204 204 A I H >X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 3,-0.7 0.926 110.3 50.9 -61.5 -50.5 38.7 46.9 6.4 205 205 A A H 3X S+ 0 0 1 -4,-3.8 4,-3.1 1,-0.3 -1,-0.2 0.916 108.2 55.3 -55.7 -39.4 41.0 44.9 4.4 206 206 A Q H 3<>S+ 0 0 6 -4,-3.2 5,-1.8 -5,-0.4 6,-1.5 0.861 108.8 45.4 -64.1 -30.0 39.5 41.8 5.9 207 207 A V H X<5S+ 0 0 12 -4,-1.5 3,-0.9 -3,-0.7 -1,-0.2 0.881 113.2 51.8 -76.4 -38.1 36.0 42.7 4.8 208 208 A A H 3<5S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.918 104.7 53.9 -61.6 -47.2 37.2 43.7 1.5 209 209 A V T 3<5S- 0 0 50 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.572 120.3-111.9 -68.0 -6.4 39.0 40.4 0.9 210 210 A G T < 5S+ 0 0 59 -3,-0.9 -3,-0.2 -5,-0.2 -2,-0.1 0.579 89.7 111.9 91.0 7.9 35.7 38.8 1.7 211 211 A R S > -h 181 0C 1 -2,-0.4 4,-2.2 81,-0.3 3,-0.8 -0.265 20.5-130.8 -55.3 132.1 52.0 54.9 6.2 236 236 A V H 3> S+ 0 0 0 -55,-3.4 4,-2.8 1,-0.2 -1,-0.1 0.806 107.5 58.5 -53.5 -30.2 54.2 52.3 7.7 237 237 A M H 3> S+ 0 0 4 -56,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.869 106.1 48.3 -68.9 -34.6 56.9 53.2 5.0 238 238 A D H <> S+ 0 0 2 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.922 111.2 51.4 -66.1 -43.7 57.0 56.7 6.2 239 239 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.954 110.7 47.5 -55.9 -54.4 57.3 55.4 9.7 240 240 A A H >X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-1.3 0.989 109.2 52.4 -52.5 -65.9 60.2 53.3 8.7 241 241 A D H 3X S+ 0 0 43 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.841 109.8 51.3 -37.8 -48.5 62.0 56.0 6.9 242 242 A G H 3X S+ 0 0 3 -4,-2.7 4,-3.0 1,-0.2 -1,-0.3 0.852 105.3 53.5 -60.1 -40.2 61.6 58.2 10.0 243 243 A H H < S+ 0 0 11 -4,-3.4 3,-2.7 -5,-0.4 -3,-0.2 0.612 77.0 120.5 -79.7 -19.3 70.3 61.2 16.9 251 251 A A T 3< S+ 0 0 21 -4,-1.0 -133,-0.1 -5,-0.4 -175,-0.1 -0.228 90.0 0.8 -50.5 128.4 73.2 58.7 17.5 252 252 A N T 3 S+ 0 0 94 1,-0.2 -1,-0.3 -81,-0.1 -2,-0.1 0.526 96.8 126.0 69.4 7.7 75.5 60.1 20.1 253 253 A K < - 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0 0 118 -2,-0.4 2,-0.1 -3,-0.1 -50,-0.1 -0.993 46.8 -87.8-159.5 151.4 58.0 64.3 6.9 314 314 A V + 0 0 38 -52,-0.4 -76,-0.0 -2,-0.3 -80,-0.0 -0.347 32.9 178.5 -58.5 129.7 55.4 61.9 5.4 315 315 A T + 0 0 101 -2,-0.1 2,-0.4 -80,-0.1 -1,-0.1 0.392 54.2 83.2-114.8 3.3 55.6 61.4 1.7 316 316 A R - 0 0 48 -81,-0.1 -81,-0.3 3,-0.0 2,-0.1 -0.890 68.5-132.8-111.5 147.6 52.9 58.9 1.1 317 317 A T > - 0 0 70 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.253 24.8-108.5 -90.6 173.2 49.1 59.6 0.8 318 318 A L H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.868 118.9 57.7 -65.3 -38.8 46.0 58.2 2.3 319 319 A D H >> S+ 0 0 54 1,-0.2 4,-3.4 2,-0.2 3,-0.9 0.982 108.0 42.8 -56.5 -60.2 45.2 56.7 -1.1 320 320 A E H 3>>S+ 0 0 65 1,-0.3 4,-4.3 2,-0.2 5,-0.5 0.896 107.7 61.2 -55.0 -41.6 48.5 54.7 -1.3 321 321 A M H 3X5S+ 0 0 6 -4,-2.1 4,-0.6 1,-0.2 -1,-0.3 0.888 113.7 36.9 -52.6 -38.9 48.1 53.7 2.3 322 322 A A H < + 0 0 57 -4,-2.4 3,-3.0 -5,-0.2 -1,-0.2 -0.437 68.3 164.0-137.8 60.3 48.9 37.3 0.4 333 333 A P T 3 S+ 0 0 67 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.651 80.6 47.9 -53.8 -22.5 45.4 36.6 1.7 334 334 A Q T 3 S- 0 0 163 1,-0.4 2,-0.1 -3,-0.1 -5,-0.1 0.316 106.7-136.3-101.3 4.1 46.7 34.0 4.2 335 335 A G < - 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