==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-FEB-11 3QT9 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN CPE0426; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR K.J.GREGG,W.F.ZANDBERG,J.-H.HEHEMANN,G.E.WHITWORTH,L.E.DENG, . 424 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 1 0.2 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 . 17 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 3 0 0 1 0 1 1 0 0 1 1 0 2 3 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 5 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 3 A L 0 0 142 0, 0.0 2,-0.1 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 -48.7 -14.4 -17.8 17.1 2 4 A S > - 0 0 54 1,-0.1 4,-2.1 41,-0.0 3,-0.4 -0.450 360.0-108.8 -76.0 160.5 -17.7 -16.2 18.2 3 5 A T H > S+ 0 0 26 41,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.920 119.9 49.4 -49.5 -50.6 -18.7 -12.9 16.5 4 6 A N H > S+ 0 0 101 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.779 108.8 53.3 -68.4 -26.1 -18.0 -10.8 19.7 5 7 A E H > S+ 0 0 114 -3,-0.4 4,-1.1 2,-0.2 3,-0.3 0.879 107.2 51.5 -69.8 -39.0 -14.5 -12.5 20.1 6 8 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 3,-0.5 0.894 102.2 60.8 -67.0 -38.4 -13.6 -11.5 16.5 7 9 A K H X S+ 0 0 41 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.884 101.8 53.4 -51.6 -40.3 -14.6 -7.9 17.2 8 10 A E H X S+ 0 0 107 -4,-0.9 4,-2.2 -3,-0.3 -1,-0.2 0.822 105.4 52.4 -70.0 -30.8 -11.9 -7.8 19.9 9 11 A I H X S+ 0 0 32 -4,-1.1 4,-2.2 -3,-0.5 -1,-0.2 0.950 113.9 43.7 -66.7 -47.1 -9.2 -9.0 17.5 10 12 A V H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.866 113.1 51.4 -65.2 -40.1 -10.1 -6.2 15.0 11 13 A R H X S+ 0 0 68 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.945 111.2 48.1 -61.2 -46.8 -10.4 -3.6 17.8 12 14 A K H X S+ 0 0 121 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.892 113.3 46.7 -60.1 -44.7 -7.0 -4.6 19.1 13 15 A I H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.938 110.9 54.3 -63.1 -43.4 -5.5 -4.4 15.6 14 16 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.884 108.3 48.6 -56.7 -42.7 -7.3 -1.0 15.2 15 17 A K H X S+ 0 0 119 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.920 111.0 49.0 -66.6 -44.3 -5.7 0.4 18.3 16 18 A D H < S+ 0 0 98 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.946 115.5 44.1 -63.4 -45.7 -2.2 -0.7 17.4 17 19 A L H >< S+ 0 0 9 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.906 110.3 54.1 -62.5 -46.0 -2.5 0.8 13.9 18 20 A S H >< S+ 0 0 10 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.813 99.3 64.1 -59.5 -34.4 -4.1 4.0 15.1 19 21 A G T 3< S+ 0 0 58 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.699 95.4 59.9 -58.9 -21.9 -1.2 4.4 17.5 20 22 A K T < S+ 0 0 125 -3,-1.8 2,-0.7 -4,-0.4 -1,-0.3 0.463 84.1 98.1 -86.4 -3.5 1.1 4.8 14.4 21 23 A I < - 0 0 3 -3,-1.7 6,-0.1 -4,-0.2 401,-0.0 -0.799 57.5-163.0 -96.0 117.4 -0.9 7.8 13.2 22 24 A E S S+ 0 0 140 -2,-0.7 2,-0.5 4,-0.0 -1,-0.2 0.845 71.4 74.4 -54.1 -42.8 0.8 11.1 14.0 23 25 A D > - 0 0 46 1,-0.1 4,-2.2 2,-0.0 5,-0.1 -0.693 69.7-150.2 -94.8 123.6 -2.4 13.2 13.4 24 26 A K H > S+ 0 0 164 -2,-0.5 4,-1.8 1,-0.2 5,-0.1 0.791 93.4 47.3 -67.0 -36.5 -5.1 13.0 16.0 25 27 A K H > S+ 0 0 120 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.944 116.4 45.0 -69.3 -47.8 -8.2 13.7 13.9 26 28 A L H > S+ 0 0 4 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.835 109.6 57.5 -60.0 -35.7 -7.0 11.1 11.3 27 29 A Q H X S+ 0 0 53 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.927 111.5 40.6 -65.1 -45.1 -6.2 8.7 14.1 28 30 A E H X S+ 0 0 133 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.951 116.5 48.8 -68.1 -52.4 -9.8 8.8 15.4 29 31 A L H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.904 112.0 50.3 -54.4 -46.5 -11.3 8.7 11.9 30 32 A F H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.947 110.9 47.9 -56.2 -52.4 -9.1 5.8 10.9 31 33 A Y H X S+ 0 0 45 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.896 111.6 49.5 -59.7 -45.3 -9.9 3.7 14.0 32 34 A N H X S+ 0 0 34 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.912 117.2 41.1 -58.3 -46.0 -13.7 4.2 13.7 33 35 A C H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.847 111.3 57.2 -73.3 -36.0 -13.7 3.3 10.0 34 36 A F H < S+ 0 0 3 -4,-2.9 4,-0.3 1,-0.2 3,-0.2 0.884 115.2 34.7 -63.9 -43.1 -11.3 0.4 10.5 35 37 A I H X S+ 0 0 11 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.607 92.9 94.5 -88.7 -11.9 -13.4 -1.4 13.0 36 38 A N H X>S+ 0 0 6 -4,-0.8 4,-2.7 1,-0.2 5,-0.5 0.881 81.7 50.2 -53.7 -48.1 -16.8 -0.5 11.6 37 39 A T H X>S+ 0 0 0 -4,-0.6 4,-2.4 -3,-0.2 5,-0.7 0.942 118.1 36.6 -56.4 -55.2 -17.3 -3.6 9.4 38 40 A M H 45S+ 0 0 1 -4,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.844 119.9 50.0 -66.7 -35.1 -16.6 -6.2 12.2 39 41 A D H <5S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.2 0.853 128.9 13.3 -71.3 -38.6 -18.2 -4.1 14.9 40 42 A T H <5S+ 0 0 60 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.582 128.5 34.8-120.6 -18.5 -21.5 -3.3 13.1 41 43 A T T < -A 48 0A 75 3,-1.9 3,-2.3 -2,-0.3 2,-0.1 -0.870 60.6 -42.5-150.1-176.4 -21.0 -19.0 12.9 46 48 A E T 3 S- 0 0 167 1,-0.3 3,-0.1 -2,-0.3 -44,-0.0 -0.307 128.3 -10.7 -56.9 118.8 -19.4 -22.3 12.0 47 49 A G T 3 S+ 0 0 39 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.563 123.6 90.9 72.0 11.1 -18.4 -22.2 8.3 48 50 A D E < +A 45 0A 28 -3,-2.3 -3,-1.9 42,-0.1 2,-0.3 -0.964 43.6 177.4-142.3 148.8 -20.4 -19.0 7.7 49 51 A A E -A 44 0A 0 38,-1.2 2,-0.5 -2,-0.3 -5,-0.2 -0.942 9.7-164.8-146.1 134.8 -20.4 -15.2 7.7 50 52 A F E -A 43 0A 13 -7,-2.8 -7,-1.8 -2,-0.3 2,-0.5 -0.977 10.1-169.8-120.1 131.5 -23.2 -12.8 6.8 51 53 A V E -A 42 0A 0 -2,-0.5 9,-0.3 -9,-0.2 -9,-0.2 -0.954 4.7-160.3-130.0 111.7 -22.2 -9.2 6.2 52 54 A I - 0 0 36 -11,-2.0 7,-0.2 -2,-0.5 3,-0.1 -0.465 27.2-118.7 -83.9 166.4 -24.8 -6.3 5.8 53 55 A T - 0 0 1 5,-1.4 354,-2.2 3,-1.2 355,-0.6 0.710 51.8-105.1 -75.9 -21.7 -23.9 -3.0 4.0 54 56 A G B S+B 406 0B 1 2,-0.5 352,-0.2 352,-0.2 -1,-0.2 -0.986 102.8 19.6 124.1-119.2 -24.5 -0.8 7.0 55 57 A D S S+ 0 0 65 350,-2.8 351,-0.1 -2,-0.4 348,-0.0 0.488 116.5 70.6 -76.4 2.7 -27.8 1.2 6.9 56 58 A I S S- 0 0 37 349,-0.2 2,-2.4 2,-0.1 -3,-1.2 -0.964 83.5-143.6-110.1 113.4 -29.2 -1.2 4.2 57 59 A P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.324 67.5 80.0 -79.3 54.9 -29.9 -4.4 6.2 58 60 A A S S- 0 0 0 -2,-2.4 -5,-1.4 48,-0.1 2,-0.6 -0.936 80.3-101.9-145.9 170.2 -29.0 -7.0 3.4 59 61 A M E -C 105 0C 0 46,-2.6 46,-2.4 -2,-0.3 2,-0.4 -0.864 25.0-162.1-102.2 122.2 -25.8 -8.4 2.0 60 62 A W E > -C 104 0C 9 -2,-0.6 4,-2.1 -9,-0.3 5,-0.3 -0.797 19.7-141.6 -92.1 139.9 -24.4 -7.2 -1.3 61 63 A L H > S+ 0 0 1 42,-1.5 4,-1.2 -2,-0.4 -1,-0.1 0.892 105.7 47.5 -64.7 -36.7 -21.8 -9.5 -3.0 62 64 A R H > S+ 0 0 3 41,-0.3 4,-1.9 2,-0.2 5,-0.2 0.987 116.0 38.5 -61.6 -65.9 -20.0 -6.3 -3.9 63 65 A D H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.884 113.0 55.7 -57.6 -45.2 -20.0 -4.4 -0.5 64 66 A S H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.924 108.8 48.4 -60.5 -44.5 -19.4 -7.6 1.6 65 67 A T H >< S+ 0 0 6 -4,-1.2 3,-1.1 -5,-0.3 4,-0.4 0.963 116.9 41.3 -54.6 -54.6 -16.2 -8.4 -0.4 66 68 A S H >< S+ 0 0 2 -4,-1.9 3,-0.7 1,-0.2 4,-0.5 0.792 104.2 67.5 -65.6 -29.9 -14.8 -4.9 -0.1 67 69 A Q H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.674 107.4 38.6 -65.6 -22.4 -15.9 -4.5 3.6 68 70 A V T XX S+ 0 0 0 -3,-1.1 3,-1.8 -4,-0.7 4,-0.8 0.416 88.6 97.3-105.4 -0.2 -13.3 -7.2 4.7 69 71 A E G X4 S+ 0 0 26 -3,-0.7 3,-1.3 -4,-0.4 -2,-0.1 0.906 79.6 53.7 -59.4 -48.6 -10.5 -6.2 2.3 70 72 A H G 34 S+ 0 0 1 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.571 104.2 58.7 -64.5 -8.5 -8.6 -4.1 4.9 71 73 A Y G X4 S+ 0 0 2 -3,-1.8 3,-1.9 1,-0.1 -1,-0.2 0.680 84.2 82.5 -91.0 -18.2 -8.6 -7.1 7.3 72 74 A L G X< S+ 0 0 22 -3,-1.3 3,-1.6 -4,-0.8 4,-0.3 0.823 77.1 65.3 -57.9 -38.1 -6.8 -9.3 4.9 73 75 A P G 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.647 103.3 51.5 -62.9 -8.1 -3.2 -8.1 5.7 74 76 A F G <> S+ 0 0 13 -3,-1.9 4,-2.7 1,-0.1 7,-0.2 0.430 75.6 96.7-107.3 2.0 -3.6 -9.5 9.2 75 77 A V T <4 S+ 0 0 0 -3,-1.6 7,-0.3 -4,-0.2 -1,-0.1 0.770 85.0 50.2 -69.0 -27.1 -4.8 -13.1 8.7 76 78 A K T 4 S+ 0 0 138 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.918 116.1 39.9 -74.3 -46.4 -1.3 -14.6 9.0 77 79 A E T 4 S+ 0 0 139 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.860 130.2 32.4 -67.8 -36.4 -0.4 -12.8 12.3 78 80 A Y >< + 0 0 28 -4,-2.7 3,-2.2 1,-0.1 4,-0.3 -0.683 69.9 177.4-121.2 77.1 -4.0 -13.4 13.6 79 81 A P G > S+ 0 0 65 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.689 71.3 77.1 -60.3 -16.2 -5.1 -16.7 12.1 80 82 A E G > S+ 0 0 100 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.823 85.3 64.3 -57.0 -32.9 -8.5 -16.4 13.9 81 83 A L G X> S+ 0 0 0 -3,-2.2 3,-1.3 1,-0.2 4,-1.1 0.658 79.7 82.0 -65.2 -18.4 -9.6 -13.9 11.3 82 84 A K H <> S+ 0 0 64 -3,-1.8 4,-2.6 -7,-0.3 5,-0.3 0.873 81.3 64.5 -57.2 -34.9 -9.4 -16.6 8.6 83 85 A A H <> S+ 0 0 49 -3,-1.1 4,-1.8 -4,-0.4 -1,-0.3 0.778 96.0 57.4 -60.5 -29.9 -12.9 -17.7 9.7 84 86 A I H <> S+ 0 0 1 -3,-1.3 4,-2.3 -4,-0.3 -1,-0.2 0.948 111.7 42.1 -60.3 -46.5 -14.3 -14.4 8.5 85 87 A F H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.950 118.5 41.3 -71.0 -50.5 -12.9 -15.0 5.0 86 88 A T H X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.847 115.6 52.4 -68.2 -35.9 -13.8 -18.7 4.6 87 89 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -38,-1.2 0.928 113.0 44.1 -61.5 -44.7 -17.2 -18.0 6.2 88 90 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 -40,-0.3 5,-0.2 0.875 110.7 54.7 -70.8 -37.1 -17.9 -15.2 3.8 89 91 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.965 109.4 47.8 -58.7 -50.2 -16.6 -17.2 0.9 90 92 A N H X S+ 0 0 44 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.896 113.7 47.3 -57.1 -46.7 -19.0 -20.0 1.7 91 93 A R H X S+ 0 0 28 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.933 111.4 49.9 -61.4 -47.8 -22.0 -17.6 2.1 92 94 A Q H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.909 109.6 51.1 -58.6 -43.2 -21.2 -15.7 -1.2 93 95 A V H X S+ 0 0 8 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.895 109.8 50.7 -64.2 -38.0 -21.0 -19.0 -3.1 94 96 A K H X S+ 0 0 125 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.864 107.1 54.2 -66.1 -34.9 -24.4 -20.0 -1.6 95 97 A C H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 3,-0.5 0.952 106.3 51.9 -59.6 -51.8 -25.8 -16.6 -2.7 96 98 A I H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.888 107.3 53.3 -49.6 -43.7 -24.6 -17.4 -6.3 97 99 A F H < S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.832 107.0 52.8 -62.2 -35.2 -26.4 -20.7 -6.1 98 100 A I H < S- 0 0 57 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.962 138.3 -22.3 -64.9 -52.0 -29.6 -18.9 -5.1 99 101 A D >< - 0 0 5 -4,-2.2 3,-1.4 3,-0.1 -1,-0.2 -0.731 50.3-162.0-166.2 106.5 -29.6 -16.6 -8.0 100 102 A P T 3 S+ 0 0 27 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.614 95.1 57.3 -71.3 -10.7 -26.4 -15.6 -10.0 101 103 A Y T 3 S+ 0 0 33 -5,-0.1 2,-0.2 29,-0.1 30,-0.1 0.490 88.2 97.0 -91.9 -6.2 -28.2 -12.6 -11.4 102 104 A A < - 0 0 1 -3,-1.4 26,-0.2 -7,-0.2 -3,-0.1 -0.604 50.2-168.0 -93.6 144.9 -29.0 -11.0 -8.0 103 105 A N S S+ 0 0 0 24,-0.8 -42,-1.5 -2,-0.2 2,-0.4 0.722 72.0 43.6 -98.3 -25.7 -27.0 -8.3 -6.2 104 106 A A E -CD 60 127C 0 23,-1.8 23,-1.7 -44,-0.2 22,-1.3 -0.981 65.4-169.7-136.5 136.0 -28.4 -8.4 -2.7 105 107 A F E -CD 59 125C 2 -46,-2.4 -46,-2.6 -2,-0.4 20,-0.3 -0.892 18.6-127.8-131.4 150.3 -29.4 -11.3 -0.4 106 108 A N - 0 0 5 18,-3.3 -48,-0.1 -2,-0.3 5,-0.0 -0.646 23.7-126.5 -91.1 154.5 -31.2 -12.1 2.9 107 109 A K S S+ 0 0 72 -2,-0.2 -1,-0.1 1,-0.1 17,-0.1 0.779 96.1 8.0 -70.4 -31.3 -29.6 -14.1 5.7 108 110 A E S S- 0 0 87 15,-0.2 2,-2.5 16,-0.0 3,-0.2 -0.890 101.4 -83.4-143.6 167.5 -32.5 -16.6 5.8 109 111 A P S S+ 0 0 68 0, 0.0 15,-0.3 0, 0.0 16,-0.0 -0.379 72.6 139.8 -83.0 71.9 -35.5 -16.9 3.4 110 112 A N - 0 0 68 -2,-2.5 14,-0.1 13,-0.4 -3,-0.0 0.356 65.1-120.2 -95.5 1.1 -37.5 -14.2 5.1 111 113 A G + 0 0 37 12,-1.7 2,-0.1 1,-0.2 13,-0.1 0.619 56.3 155.9 68.6 13.5 -39.0 -12.5 2.0 112 114 A Q + 0 0 102 11,-0.5 2,-0.3 2,-0.0 -1,-0.2 -0.469 13.1 162.9 -71.1 145.8 -37.4 -9.1 2.8 113 115 A K - 0 0 59 1,-0.1 14,-0.2 -2,-0.1 13,-0.1 -0.990 48.4-124.9-164.5 150.3 -36.9 -6.9 -0.3 114 116 A W S S- 0 0 143 12,-2.0 2,-0.3 -2,-0.3 -1,-0.1 0.955 90.8 -18.0 -61.3 -48.8 -36.2 -3.3 -1.3 115 117 A D S S- 0 0 56 11,-0.4 2,-1.5 -3,-0.1 -1,-0.2 -0.921 72.6 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18.1 -9.4 337 339 A E E +J 342 0H 101 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.998 22.0 141.3-141.0 129.6 -15.6 20.9 -8.0 338 340 A G - 0 0 29 3,-2.4 58,-0.2 -2,-0.4 57,-0.0 -0.772 59.5 -66.0-151.7-167.0 -16.4 23.3 -5.2 339 341 A K S S+ 0 0 183 -2,-0.2 57,-0.2 1,-0.2 3,-0.1 0.902 126.4 28.4 -60.1 -48.5 -15.4 25.2 -2.1 340 342 A A S S- 0 0 32 55,-2.3 2,-0.3 1,-0.2 56,-0.2 0.752 128.2 -14.0 -89.8 -25.8 -14.8 22.2 0.2 341 343 A A - 0 0 6 54,-1.3 -3,-2.4 2,-0.0 2,-0.3 -0.986 46.1-142.3-166.0 162.4 -13.8 19.5 -2.3 342 344 A K E +J 337 0H 108 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.986 44.3 94.3-136.4 153.4 -13.5 18.2 -5.8 343 345 A G E -J 336 0H 0 -7,-2.8 -7,-2.9 -2,-0.3 2,-0.4 -0.992 65.6 -41.8 161.3-165.2 -13.9 14.7 -7.2 344 346 A I E +J 335 0H 2 -2,-0.3 11,-2.5 -9,-0.2 14,-0.3 -0.792 46.4 166.0-103.3 140.1 -16.2 12.2 -8.7 345 347 A G - 0 0 0 -11,-2.8 -46,-2.0 -2,-0.4 -45,-0.2 -0.070 25.4-115.7-120.2-136.1 -19.9 11.5 -7.8 346 348 A S > - 0 0 1 7,-0.4 3,-1.8 4,-0.2 7,-0.2 -0.983 23.4-114.5-168.4 147.7 -22.8 9.6 -9.4 347 349 A P T 3 S+ 0 0 40 0, 0.0 -155,-0.1 0, 0.0 4,-0.1 0.600 113.1 75.3 -69.7 -3.9 -26.2 10.0 -10.9 348 350 A H T 3 S+ 0 0 77 2,-0.1 -50,-0.0 -129,-0.1 -156,-0.0 0.725 99.0 45.5 -68.9 -26.2 -27.2 8.0 -7.9 349 351 A T S < S- 0 0 12 -3,-1.8 3,-0.1 4,-0.1 -3,-0.1 -0.748 103.3 -78.0-116.3 166.3 -26.7 11.1 -5.7 350 352 A P > - 0 0 68 0, 0.0 3,-1.7 0, 0.0 -4,-0.2 -0.202 62.8 -78.3 -64.5 155.4 -27.8 14.7 -6.1 351 353 A D T 3 S+ 0 0 114 1,-0.2 3,-0.1 -4,-0.1 -17,-0.1 -0.200 117.9 23.7 -45.5 134.7 -26.0 17.1 -8.4 352 354 A Q T 3 S+ 0 0 58 1,-0.3 43,-2.5 -3,-0.1 2,-0.4 0.420 91.3 125.2 82.6 1.0 -22.7 18.5 -6.9 353 355 A Y E < -K 394 0I 33 -3,-1.7 -7,-0.4 41,-0.2 2,-0.3 -0.760 39.3-168.7 -89.4 133.9 -22.2 15.5 -4.5 354 356 A I E -K 393 0I 0 39,-2.4 39,-1.8 -2,-0.4 2,-0.4 -0.858 20.4-116.7-114.8 162.3 -18.9 13.6 -4.7 355 357 A W E > -K 392 0I 2 -11,-2.5 4,-1.4 -2,-0.3 3,-0.3 -0.781 4.5-140.7-105.7 140.2 -18.3 10.3 -3.0 356 358 A H H > S+ 0 0 0 35,-1.2 4,-2.5 -2,-0.4 5,-0.2 0.867 107.2 60.5 -55.7 -37.5 -15.8 9.4 -0.2 357 359 A I H > S+ 0 0 0 34,-0.4 4,-2.9 33,-0.3 5,-0.2 0.925 101.9 51.4 -56.1 -44.6 -15.2 6.2 -2.1 358 360 A A H > S+ 0 0 1 -14,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.859 111.3 47.9 -64.4 -33.4 -14.0 8.1 -5.2 359 361 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.927 112.7 47.0 -71.9 -47.0 -11.5 10.1 -3.1 360 362 A S H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.921 115.3 47.4 -56.5 -45.2 -10.2 6.9 -1.4 361 363 A M H X S+ 0 0 0 -4,-2.9 4,-1.1 -5,-0.2 -2,-0.2 0.879 107.7 55.4 -67.0 -36.9 -10.0 5.3 -4.8 362 364 A Q H < S+ 0 0 26 -4,-2.1 3,-0.5 -5,-0.2 -1,-0.2 0.923 109.8 48.1 -57.1 -42.0 -8.3 8.4 -6.2 363 365 A G H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.850 109.3 51.4 -67.2 -37.0 -5.7 7.9 -3.4 364 366 A L H 3< S+ 0 0 21 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.670 108.3 53.0 -72.4 -18.1 -5.1 4.2 -4.1 365 367 A T T 3< S+ 0 0 0 -4,-1.1 2,-0.3 -3,-0.5 -1,-0.2 0.008 98.5 69.7-116.6 26.9 -4.5 4.7 -7.8 366 368 A T < - 0 0 11 -3,-0.8 -50,-0.0 1,-0.1 -51,-0.0 -0.977 51.0-163.2-136.6 151.7 -1.8 7.4 -7.7 367 369 A N + 0 0 94 -2,-0.3 2,-0.8 -52,-0.1 3,-0.1 0.296 60.9 114.8-107.4 0.6 1.9 7.4 -6.7 368 370 A N > - 0 0 81 1,-0.2 4,-2.5 2,-0.1 3,-0.2 -0.643 53.7-160.5 -74.4 106.3 2.0 11.3 -6.5 369 371 A Q H > S+ 0 0 73 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.843 89.9 52.8 -60.2 -36.5 2.6 12.0 -2.8 370 372 A E H > S+ 0 0 129 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 109.5 49.7 -66.3 -38.3 1.3 15.5 -3.0 371 373 A E H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.947 111.7 49.9 -62.0 -43.6 -1.9 14.2 -4.6 372 374 A I H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.897 109.7 50.1 -61.9 -42.3 -2.1 11.6 -1.7 373 375 A D H X S+ 0 0 85 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.910 110.1 49.9 -64.3 -43.6 -1.7 14.4 0.9 374 376 A Q H X S+ 0 0 105 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.866 111.5 49.1 -63.0 -36.7 -4.4 16.5 -0.6 375 377 A L H X S+ 0 0 6 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.941 108.8 52.0 -71.0 -46.4 -6.8 13.6 -0.7 376 378 A I H X S+ 0 0 19 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.930 111.1 49.0 -48.8 -49.8 -6.1 12.6 3.0 377 379 A K H X S+ 0 0 125 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.895 111.5 48.6 -59.0 -44.9 -6.8 16.3 3.9 378 380 A L H X S+ 0 0 32 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.931 111.7 49.2 -62.1 -44.4 -10.1 16.3 1.9 379 381 A L H < S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.2 -2,-0.2 0.890 112.7 47.5 -63.2 -41.7 -11.2 13.0 3.5 380 382 A K H >< S+ 0 0 46 -4,-2.3 3,-0.6 -5,-0.2 -1,-0.2 0.843 115.9 44.9 -60.0 -40.1 -10.4 14.3 7.1 381 383 A E H 3< S+ 0 0 106 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.489 106.8 58.7 -90.6 -7.4 -12.2 17.6 6.5 382 384 A T T 3< + 0 0 1 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.1 0.126 69.6 98.1-115.9 21.1 -15.4 16.2 4.8 383 385 A D S X S- 0 0 12 -3,-0.6 3,-1.9 6,-0.1 5,-0.4 0.431 86.6-127.6 -84.1 0.2 -16.7 13.8 7.5 384 386 A A T 3 - 0 0 33 1,-0.3 -2,-0.1 -3,-0.3 -3,-0.1 0.793 63.2 -66.8 56.6 30.2 -19.2 16.5 8.7 385 387 A G T 3 S+ 0 0 71 1,-0.1 -1,-0.3 3,-0.1 14,-0.0 0.343 114.8 113.6 75.4 -6.4 -17.9 16.0 12.3 386 388 A T S < S- 0 0 55 -3,-1.9 -2,-0.1 2,-0.2 3,-0.1 0.683 77.9-128.9 -70.1 -25.4 -19.4 12.5 12.4 387 389 A G S S+ 0 0 8 1,-0.3 2,-0.3 -7,-0.1 -354,-0.1 0.586 77.0 86.0 81.9 13.7 -16.0 10.6 12.6 388 390 A Y S S- 0 0 72 -5,-0.4 -1,-0.3 -356,-0.1 2,-0.2 -0.921 78.4-107.6-138.8 162.2 -17.1 8.3 9.6 389 391 A M - 0 0 0 -2,-0.3 17,-0.5 17,-0.2 21,-0.2 -0.570 36.1-162.2 -84.6 155.2 -17.1 8.2 5.8 390 392 A H - 0 0 1 -2,-0.2 -33,-0.3 1,-0.2 -34,-0.3 -0.482 28.9-103.2-122.1-169.1 -20.4 8.6 3.9 391 393 A E S S- 0 0 17 11,-2.9 -35,-1.2 1,-0.4 -34,-0.4 0.896 91.4 -16.8 -78.1 -78.9 -21.8 7.9 0.5 392 394 A G E -K 355 0I 0 10,-0.4 10,-2.4 -37,-0.2 -1,-0.4 -0.858 57.9-170.3-128.0 162.8 -21.8 11.4 -1.1 393 395 A F E -KL 354 401I 0 -39,-1.8 -39,-2.4 -2,-0.3 8,-0.2 -0.982 36.4 -94.6-152.6 145.3 -21.5 15.0 0.2 394 396 A H E > -KL 353 397I 40 6,-2.3 3,-0.9 3,-0.7 -41,-0.2 -0.370 29.6-132.3 -65.7 131.6 -22.0 18.4 -1.5 395 397 A V T 3 S+ 0 0 0 -43,-2.5 -55,-2.3 1,-0.3 -54,-1.3 0.697 107.1 43.3 -62.6 -17.3 -18.7 19.9 -2.8 396 398 A D T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -57,-0.2 -43,-0.1 0.652 128.7 22.0 -95.2 -19.4 -19.5 23.3 -1.2 397 399 A D E X -L 394 0I 52 -3,-0.9 3,-2.3 3,-0.2 -3,-0.7 -0.720 56.0-167.5-158.1 96.0 -20.8 21.9 2.1 398 400 A P E 3 S+ 0 0 20 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.553 84.6 77.7 -68.9 -8.7 -20.0 18.4 3.5 399 401 A T E 3 S+ 0 0 91 1,-0.1 2,-0.8 -6,-0.1 -17,-0.0 0.647 82.7 74.7 -71.0 -15.4 -22.7 18.7 6.2 400 402 A K E < S+ 0 0 105 -3,-2.3 -6,-2.3 -6,-0.2 2,-0.3 -0.876 75.6 134.1 -96.9 106.7 -25.0 17.9 3.2 401 403 A F E -L 393 0I 51 -2,-0.8 2,-0.3 -8,-0.2 -8,-0.3 -0.955 48.2-126.5-151.2 162.8 -24.4 14.1 2.8 402 404 A T S S+ 0 0 37 -10,-2.4 -11,-2.9 -2,-0.3 -10,-0.4 -0.895 73.2 25.4-118.0 147.6 -26.1 10.8 2.2 403 405 A R - 0 0 42 -2,-0.3 -12,-0.3 -13,-0.2 3,-0.2 0.984 47.1-163.3 67.1 93.2 -25.6 7.5 4.3 404 406 A D S S+ 0 0 109 1,-0.2 2,-0.5 -14,-0.1 -1,-0.0 0.853 88.7 39.9 -57.9 -40.5 -24.5 7.8 7.9 405 407 A W + 0 0 86 -17,-0.1 -350,-2.8 4,-0.0 2,-0.4 -0.915 65.1 147.4-126.3 97.3 -23.6 4.1 8.0 406 408 A F B > -B 54 0B 2 -2,-0.5 4,-1.7 -17,-0.5 -352,-0.2 -0.875 21.8-172.8-136.5 88.6 -21.8 2.9 4.8 407 409 A A H > S+ 0 0 0 -354,-2.2 4,-2.6 -2,-0.4 -370,-0.2 0.830 82.1 57.0 -63.6 -33.5 -19.4 0.1 5.8 408 410 A W H > S+ 0 0 2 -355,-0.6 4,-2.7 2,-0.2 5,-0.3 0.952 106.8 49.0 -61.7 -48.0 -17.8 -0.2 2.4 409 411 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.902 113.6 47.7 -55.9 -42.9 -16.9 3.5 2.3 410 412 A N H X S+ 0 0 0 -4,-1.7 4,-2.0 -21,-0.2 -1,-0.2 0.884 113.8 48.1 -62.9 -41.5 -15.4 3.2 5.8 411 413 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.875 110.6 48.0 -70.1 -43.0 -13.5 0.1 4.8 412 414 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.889 111.9 50.7 -69.8 -37.5 -12.0 1.4 1.5 413 415 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.934 111.1 48.8 -60.2 -46.1 -10.9 4.6 3.3 414 416 A S H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.883 111.2 50.7 -59.0 -41.7 -9.2 2.4 6.0 415 417 A H H X S+ 0 0 17 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.901 110.8 48.8 -59.9 -47.2 -7.6 0.4 3.2 416 418 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.925 113.6 45.5 -58.6 -48.6 -6.4 3.7 1.6 417 419 A I H X>S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-2.1 0.890 114.1 49.4 -65.9 -40.2 -4.9 5.0 4.9 418 420 A Y H <>S+ 0 0 35 -4,-2.7 5,-3.2 -5,-0.2 -2,-0.2 0.947 117.3 38.9 -64.1 -50.0 -3.3 1.6 5.7 419 421 A E H <5S+ 0 0 96 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.828 128.6 30.3 -71.7 -31.3 -1.7 1.2 2.3 420 422 A K H <5S+ 0 0 38 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.583 133.4 21.4-110.5 -14.0 -0.6 4.9 1.7 421 423 A V T ><5S+ 0 0 24 -4,-2.2 3,-0.9 -5,-0.3 -3,-0.2 0.684 129.3 29.3-109.7 -66.8 -0.0 6.2 5.2 422 424 A I T 3