==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-10 3MSR . COMPND 2 MOLECULE: AMIDOHYDROLASES; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOPLASMA SYNOVIAE; . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTE . 353 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.1 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 . 2 0.6 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 . 22 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 4.0 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 1 2 2 0 2 1 0 3 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 4 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 L 0 0 228 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.4 9.0 20.5 74.7 2 2 A E - 0 0 149 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.860 360.0-164.3 -58.0 -44.8 6.6 22.3 72.2 3 3 A N + 0 0 143 1,-0.2 2,-0.2 0, 0.0 -1,-0.1 0.883 23.3 161.7 64.9 39.4 8.6 21.3 69.1 4 4 A K - 0 0 69 323,-0.0 11,-2.1 1,-0.0 12,-0.3 -0.636 20.8-153.9 -86.7 153.9 6.9 23.9 66.7 5 5 A F E -A 14 0A 66 9,-0.3 323,-2.7 323,-0.3 2,-0.3 -0.852 11.4-148.3-126.0 160.3 8.6 24.8 63.4 6 6 A A E -A 13 0A 0 7,-2.4 7,-2.9 -2,-0.3 2,-0.8 -0.906 27.0-121.3-118.3 155.1 8.7 27.7 61.0 7 7 A R E -A 12 0A 27 143,-0.4 88,-0.3 319,-0.4 5,-0.2 -0.846 32.8-179.8-106.7 103.1 9.2 27.2 57.2 8 8 A T E > -A 11 0A 7 3,-1.9 3,-1.7 -2,-0.8 140,-0.5 -0.481 44.8-105.6 -92.7 168.4 12.2 29.0 55.8 9 9 A V T 3 S+ 0 0 7 84,-2.5 85,-0.1 1,-0.3 3,-0.1 0.691 123.9 50.3 -69.0 -15.6 13.3 28.9 52.1 10 10 A L T 3 S- 0 0 77 1,-0.4 -1,-0.3 83,-0.3 2,-0.2 0.344 127.9 -72.8-101.7 3.4 16.1 26.5 53.2 11 11 A G E < -A 8 0A 34 -3,-1.7 -3,-1.9 137,-0.2 -1,-0.4 -0.616 66.1 -44.8 129.6 169.5 13.9 24.1 55.2 12 12 A D E -A 7 0A 78 -5,-0.2 -5,-0.2 -2,-0.2 -7,-0.0 -0.491 56.1-173.0 -70.7 138.2 11.8 23.8 58.3 13 13 A I E -A 6 0A 14 -7,-2.9 -7,-2.4 -2,-0.2 2,-0.1 -0.954 34.1 -93.6-128.1 156.2 13.5 25.1 61.5 14 14 A P E > -A 5 0A 76 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.409 37.8-123.9 -57.6 139.2 12.6 25.0 65.2 15 15 A V G > S+ 0 0 5 -11,-2.1 3,-1.5 1,-0.3 4,-0.4 0.779 109.8 70.3 -62.8 -20.3 10.8 28.3 66.0 16 16 A E G 3 S+ 0 0 112 -12,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.671 90.9 60.5 -69.8 -13.3 13.5 28.8 68.7 17 17 A K G < S+ 0 0 91 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.620 81.2 84.4 -87.2 -8.9 16.0 29.4 65.8 18 18 A L < + 0 0 0 -3,-1.5 45,-0.4 -4,-0.3 44,-0.2 0.907 66.2 167.7 -61.5 -39.3 14.0 32.4 64.5 19 19 A G + 0 0 21 -4,-0.4 2,-0.3 -3,-0.3 -1,-0.1 -0.203 57.2 3.6 59.4-154.5 15.8 34.7 67.0 20 20 A I E S-b 61 0B 39 40,-0.5 42,-2.8 302,-0.1 43,-2.4 -0.482 85.0-162.9 -64.5 125.1 15.3 38.5 66.4 21 21 A T E -b 63 0B 2 297,-2.2 2,-0.8 -2,-0.3 248,-0.4 -0.951 27.6-152.1-127.9 128.5 13.0 38.7 63.4 22 22 A D E -b 64 0B 2 41,-2.5 43,-2.7 -2,-0.4 248,-0.2 -0.867 21.6-161.3 -91.7 106.1 12.0 41.5 61.0 23 23 A C E S+ 0 0 0 246,-2.2 2,-0.2 -2,-0.8 247,-0.2 0.427 70.4 27.1 -82.8 2.1 8.5 40.4 60.2 24 24 A H E S+ 0 0 1 245,-0.2 248,-1.9 213,-0.1 247,-0.4 -0.618 80.9 123.8-165.1 94.3 7.9 42.3 57.0 25 25 A D E -b 66 0B 0 40,-2.8 42,-1.4 -3,-0.2 2,-0.3 -0.815 36.2-138.3-144.7-171.9 10.7 43.3 54.7 26 26 A H + 0 0 7 -2,-0.2 247,-0.1 247,-0.2 3,-0.1 -0.981 23.0 162.9-150.0 152.7 12.2 43.2 51.1 27 27 A F S S+ 0 0 1 1,-0.4 2,-0.5 -2,-0.3 18,-0.4 0.423 78.3 34.5-131.9 -53.0 15.4 42.7 49.3 28 28 A I + 0 0 1 16,-0.1 2,-0.5 47,-0.1 -1,-0.4 -0.944 53.6 173.5-111.6 125.2 14.6 41.8 45.7 29 29 A K B -D 43 0C 7 14,-2.3 14,-2.4 -2,-0.5 2,-1.1 -0.922 15.6-167.2-129.5 99.2 11.5 43.3 44.0 30 30 A N - 0 0 69 43,-3.1 43,-0.3 -2,-0.5 12,-0.1 -0.766 48.1 -64.8-100.8 91.4 11.8 42.2 40.4 31 31 A G S S+ 0 0 24 -2,-1.1 3,-0.2 1,-0.1 4,-0.2 -0.244 75.9 127.7 66.2-149.3 9.3 44.2 38.3 32 32 A G S >> S- 0 0 38 1,-0.2 3,-1.0 40,-0.1 4,-0.6 -0.242 76.5 -47.6 85.5 179.8 5.6 43.9 38.8 33 33 A P H >> S+ 0 0 38 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.784 127.4 62.8 -63.6 -33.7 2.8 46.5 39.3 34 34 A E H >> S+ 0 0 27 -3,-0.2 4,-1.0 1,-0.2 3,-0.6 0.888 95.8 59.4 -58.2 -40.2 4.6 48.4 42.0 35 35 A V H <4 S+ 0 0 26 -3,-1.0 -1,-0.2 1,-0.3 3,-0.1 0.773 96.9 62.5 -63.3 -24.1 7.3 49.3 39.6 36 36 A E H << S+ 0 0 172 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.916 100.8 52.2 -66.3 -40.8 4.6 51.0 37.5 37 37 A E H << S- 0 0 79 -4,-1.0 2,-0.2 -3,-0.6 -1,-0.2 0.762 132.3 -14.5 -62.3 -30.7 3.9 53.4 40.4 38 38 A H >< - 0 0 78 -4,-1.0 3,-1.9 -3,-0.1 -1,-0.2 -0.819 53.5-126.6-174.0 136.4 7.6 54.4 40.7 39 39 A I G > S+ 0 0 110 1,-0.3 3,-2.4 -2,-0.2 -1,-0.1 0.784 102.9 75.0 -55.2 -26.7 11.0 53.2 39.5 40 40 A D G 3 S+ 0 0 33 1,-0.3 236,-2.7 235,-0.1 -1,-0.3 0.665 82.7 68.3 -65.6 -15.6 12.2 53.2 43.1 41 41 A F G < S+ 0 0 29 -3,-1.9 2,-0.6 234,-0.2 -1,-0.3 0.544 78.1 96.5 -79.4 -5.9 10.2 50.0 43.7 42 42 A L < + 0 0 52 -3,-2.4 2,-0.5 -4,-0.2 -12,-0.2 -0.747 49.9 170.7 -86.6 120.6 12.6 48.1 41.4 43 43 A X B +D 29 0C 0 -14,-2.4 -14,-2.3 -2,-0.6 -16,-0.1 -0.908 12.0 150.6-137.1 105.9 15.3 46.4 43.6 44 44 A L + 0 0 73 -2,-0.5 2,-0.8 -16,-0.2 -16,-0.1 0.048 29.3 114.7-127.0 28.0 17.5 43.9 41.8 45 45 A N > + 0 0 57 -18,-0.4 4,-1.8 1,-0.2 5,-0.1 -0.829 31.2 179.2-116.8 101.9 20.9 43.8 43.6 46 46 A V H > S+ 0 0 17 -2,-0.8 4,-2.6 2,-0.2 5,-0.2 0.913 85.1 50.8 -61.6 -46.4 21.8 40.6 45.3 47 47 A D H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.927 111.2 47.7 -60.6 -47.0 25.2 41.9 46.5 48 48 A A H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.859 112.7 50.6 -60.9 -36.4 23.7 45.0 48.1 49 49 A S H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.910 109.1 49.5 -68.5 -44.5 21.0 42.9 49.7 50 50 A I H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.905 110.7 50.8 -62.7 -40.5 23.5 40.4 51.2 51 51 A K H X S+ 0 0 118 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.885 112.1 47.4 -62.3 -40.2 25.6 43.3 52.6 52 52 A E H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.922 110.5 51.2 -68.7 -41.0 22.5 44.8 54.2 53 53 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.915 107.5 54.3 -61.4 -40.5 21.4 41.4 55.6 54 54 A K H X S+ 0 0 100 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.856 105.5 51.8 -64.5 -34.1 24.9 41.1 57.1 55 55 A E H X S+ 0 0 31 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.893 109.0 52.1 -66.3 -39.8 24.6 44.5 58.9 56 56 A F H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 3,-0.3 0.947 113.5 42.8 -56.4 -49.6 21.2 43.2 60.3 57 57 A I H ><5S+ 0 0 33 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.896 108.7 59.5 -66.3 -41.3 22.9 40.0 61.6 58 58 A D H 3<5S+ 0 0 116 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.840 105.0 50.3 -55.2 -36.4 25.9 42.1 62.9 59 59 A R T 3<5S- 0 0 82 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.420 134.5 -87.0 -84.0 2.0 23.5 44.0 65.1 60 60 A G T < 5S+ 0 0 40 -3,-2.1 -40,-0.5 1,-0.3 -3,-0.2 0.336 83.7 133.4 115.6 -8.4 21.9 40.8 66.5 61 61 A G E < +b 20 0B 2 -5,-2.4 -1,-0.3 -6,-0.2 -40,-0.2 -0.327 22.6 170.8 -76.3 158.3 19.2 40.0 64.0 62 62 A S E + 0 0 29 -42,-2.8 30,-2.6 1,-0.3 2,-0.4 0.598 55.2 48.0-127.7 -48.1 18.6 36.5 62.5 63 63 A T E -bc 21 92B 0 -43,-2.4 -41,-2.5 -45,-0.4 2,-0.4 -0.857 48.2-174.5-114.1 138.1 15.4 36.2 60.5 64 64 A I E -bc 22 93B 0 28,-2.5 30,-1.8 -2,-0.4 2,-0.8 -0.996 13.7-153.1-124.3 125.6 13.8 38.4 57.7 65 65 A V E - c 0 94B 0 -43,-2.7 -40,-2.8 -2,-0.4 2,-0.9 -0.890 11.3-156.3 -95.2 109.0 10.4 37.6 56.3 66 66 A T E -bc 25 95B 1 28,-2.0 2,-1.5 -2,-0.8 30,-0.6 -0.771 6.7-160.0 -88.9 106.8 10.3 39.0 52.8 67 67 A X + 0 0 0 -42,-1.4 28,-0.1 -2,-0.9 -1,-0.1 -0.444 36.5 137.6 -93.3 62.1 6.7 39.5 52.1 68 68 A D - 0 0 3 -2,-1.5 28,-0.4 5,-0.1 5,-0.1 -0.933 45.6-141.4-109.4 116.4 6.4 39.6 48.3 69 69 A P > > - 0 0 1 0, 0.0 3,-2.0 0, 0.0 5,-1.0 -0.363 33.3-101.0 -66.9 154.7 3.4 37.7 47.0 70 70 A P T 3 5S+ 0 0 1 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.827 118.4 42.7 -49.2 -45.6 4.2 35.8 43.7 71 71 A N T 3 5S+ 0 0 17 27,-0.4 2,-0.4 1,-0.2 28,-0.1 0.450 106.8 65.0 -85.9 -1.2 2.7 38.3 41.3 72 72 A V T < 5S- 0 0 4 -3,-2.0 -1,-0.2 -40,-0.1 -40,-0.1 -0.693 127.5 -50.9-124.0 77.9 4.0 41.4 42.9 73 73 A G T 5S+ 0 0 5 -2,-0.4 -43,-3.1 -43,-0.3 -2,-0.1 0.146 82.6 150.4 91.1 -17.2 7.8 41.6 42.8 74 74 A R < - 0 0 4 -5,-1.0 2,-0.4 -45,-0.2 -1,-0.2 -0.168 20.5-177.4 -61.2 138.9 8.8 38.1 44.1 75 75 A D > - 0 0 14 -47,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.877 6.3-177.6-138.7 100.2 12.0 36.5 42.9 76 76 A V H > S+ 0 0 0 -2,-0.4 4,-2.4 57,-0.2 5,-0.2 0.938 81.4 51.2 -62.8 -48.7 12.7 33.0 44.3 77 77 A L H > S+ 0 0 89 1,-0.2 4,-1.7 57,-0.2 -1,-0.2 0.917 114.1 40.6 -62.7 -49.5 16.0 32.5 42.6 78 78 A K H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.845 114.4 52.1 -67.8 -34.6 17.7 35.7 43.8 79 79 A T H X S+ 0 0 3 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.860 106.3 55.0 -72.1 -32.6 16.2 35.6 47.2 80 80 A L H X S+ 0 0 27 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.890 104.1 55.0 -65.5 -36.8 17.6 32.1 47.5 81 81 A E H X S+ 0 0 102 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.948 110.1 46.3 -57.1 -47.2 21.1 33.5 46.6 82 82 A I H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.937 112.4 49.9 -58.3 -48.7 20.7 35.9 49.5 83 83 A A H >X S+ 0 0 2 -4,-2.7 4,-1.1 1,-0.2 3,-0.8 0.921 111.2 48.9 -58.8 -45.3 19.5 33.2 51.9 84 84 A N H 3< S+ 0 0 71 -4,-2.7 4,-0.4 1,-0.2 3,-0.3 0.866 105.7 58.4 -64.8 -34.7 22.4 30.9 51.0 85 85 A A H 3< S+ 0 0 40 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.715 117.3 31.2 -66.2 -22.9 24.9 33.7 51.5 86 86 A V H X<>S+ 0 0 1 -4,-1.0 5,-2.4 -3,-0.8 3,-2.2 0.476 88.2 97.1-114.2 -4.1 23.8 34.2 55.1 87 87 A K G ><5S+ 0 0 87 -4,-1.1 3,-1.5 1,-0.3 -2,-0.1 0.866 84.4 51.8 -59.4 -37.8 22.8 30.8 56.3 88 88 A N G 3 5S+ 0 0 143 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.405 105.4 57.7 -81.2 3.9 26.1 30.0 58.0 89 89 A L G < 5S- 0 0 97 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.281 127.7 -99.1-104.2 4.0 25.9 33.3 59.8 90 90 A G T < 5S+ 0 0 26 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.521 73.8 150.7 89.2 8.8 22.6 32.2 61.4 91 91 A G < - 0 0 3 -5,-2.4 2,-0.4 -8,-0.1 -1,-0.3 -0.518 25.1-166.8 -74.3 143.2 20.5 34.2 58.9 92 92 A N E -c 63 0B 10 -30,-2.6 -28,-2.5 -2,-0.2 2,-0.4 -0.981 6.3-163.4-129.0 144.1 17.0 32.9 58.0 93 93 A V E -c 64 0B 3 -2,-0.4 -84,-2.5 -30,-0.2 2,-0.5 -0.990 1.8-170.1-126.9 124.6 14.6 33.9 55.2 94 94 A I E -c 65 0B 1 -30,-1.8 -28,-2.0 -2,-0.4 2,-0.2 -0.957 12.7-159.2-107.6 133.2 10.9 33.1 55.0 95 95 A X E -c 66 0B 1 -2,-0.5 55,-2.4 53,-0.4 56,-0.6 -0.687 9.3-125.0-107.8 169.1 9.1 33.8 51.8 96 96 A S E -e 151 0D 0 -30,-0.6 56,-0.2 -28,-0.4 2,-0.2 -0.793 14.3-168.0-115.9 150.5 5.4 34.3 51.0 97 97 A T E +e 152 0D 0 54,-2.4 56,-1.9 -2,-0.3 2,-0.2 -0.387 54.1 56.2-105.2-165.9 2.7 32.9 48.8 98 98 A G E S-e 153 0D 0 54,-0.2 -27,-0.4 -2,-0.2 2,-0.3 -0.493 81.4 -54.4 90.2-144.9 -0.7 34.5 48.2 99 99 A F - 0 0 1 54,-2.1 2,-0.1 -2,-0.2 3,-0.1 -0.910 26.4-133.3-143.5 157.4 -1.7 38.0 47.0 100 100 A H - 0 0 12 -2,-0.3 55,-0.6 1,-0.3 68,-0.1 -0.195 60.6 -53.9 -93.7-166.0 -1.4 41.7 47.5 101 101 A K > - 0 0 13 53,-0.2 3,-2.1 55,-0.2 -1,-0.3 -0.277 58.8-101.9 -72.9 164.6 -4.3 44.2 47.5 102 102 A A G > S+ 0 0 17 53,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.747 113.3 74.2 -62.2 -26.0 -6.7 44.3 44.5 103 103 A K G 3 S+ 0 0 142 1,-0.3 -1,-0.3 3,-0.1 4,-0.1 0.778 92.1 56.7 -62.3 -22.6 -5.2 47.3 43.0 104 104 A F G < S+ 0 0 17 -3,-2.1 2,-0.4 2,-0.1 -1,-0.3 0.386 101.2 65.3 -90.7 6.0 -2.2 45.2 41.8 105 105 A Y S < S- 0 0 20 -3,-2.1 2,-0.4 -4,-0.1 -6,-0.0 -0.976 91.4-108.3-129.0 138.9 -4.4 42.7 39.9 106 106 A D > - 0 0 83 -2,-0.4 4,-1.8 1,-0.2 7,-0.4 -0.497 26.8-151.1 -63.3 120.6 -6.5 43.3 36.7 107 107 A K T 4 S+ 0 0 136 -2,-0.4 -1,-0.2 1,-0.2 -4,-0.0 0.727 90.0 44.0 -74.8 -13.8 -10.0 43.0 38.1 108 108 A Y T 4 S+ 0 0 180 1,-0.0 -1,-0.2 5,-0.0 -2,-0.1 0.851 131.9 9.1 -89.9 -40.5 -11.4 41.8 34.7 109 109 A S T 4 S+ 0 0 85 4,-0.1 -2,-0.2 5,-0.0 -3,-0.0 0.485 87.6 117.1-130.5 -3.0 -8.9 39.2 33.7 110 110 A S S X S- 0 0 17 -4,-1.8 4,-2.2 1,-0.1 3,-0.4 -0.281 72.8-115.5 -67.4 157.1 -6.3 38.4 36.4 111 111 A W H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.865 117.6 60.0 -66.8 -28.0 -6.3 34.8 37.8 112 112 A L H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.912 111.0 40.2 -58.3 -42.2 -7.4 36.3 41.1 113 113 A A H 4 S+ 0 0 23 -3,-0.4 -2,-0.2 -7,-0.4 -1,-0.2 0.896 128.4 28.5 -71.9 -38.6 -10.5 37.6 39.5 114 114 A V H < S+ 0 0 96 -4,-2.2 -3,-0.2 2,-0.1 -2,-0.2 0.793 94.2 84.7-104.5 -36.5 -11.3 34.6 37.3 115 115 A V S < S- 0 0 41 -4,-2.3 5,-0.1 -5,-0.3 -5,-0.0 -0.553 87.1-102.9 -78.3 132.5 -10.0 31.4 38.7 116 116 A P >> - 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0 0 0 -33,-1.4 -245,-0.1 -2,-0.3 -248,-0.0 -0.935 36.8-136.9-167.0 163.8 9.7 45.4 60.6 271 271 A L - 0 0 5 -247,-0.4 -32,-0.4 -2,-0.3 3,-0.2 0.616 24.4-154.0-101.5 -24.4 11.3 48.0 58.4 272 272 A D - 0 0 23 -248,-1.9 2,-1.9 1,-0.2 -247,-0.2 0.935 18.0-176.9 41.5 53.3 9.3 47.2 55.3 273 273 A A + 0 0 0 1,-0.2 -1,-0.2 -247,-0.1 -247,-0.2 -0.551 22.4 148.7 -76.5 75.3 12.2 48.6 53.2 274 274 A G + 0 0 3 -2,-1.9 2,-0.3 -3,-0.2 -1,-0.2 0.137 48.0 70.4-106.3 17.1 10.5 48.1 49.9 275 275 A R S > S- 0 0 38 -249,-0.1 3,-2.0 -3,-0.1 -234,-0.2 -0.949 88.4-114.4-125.6 155.2 12.0 51.1 48.0 276 276 A I G > S+ 0 0 17 -236,-2.7 3,-0.7 -2,-0.3 10,-0.1 0.784 113.7 51.9 -61.6 -29.1 15.6 51.3 46.8 277 277 A L G 3 S+ 0 0 44 1,-0.2 -1,-0.3 -237,-0.1 14,-0.3 0.390 90.0 80.9 -88.7 6.8 16.5 54.3 49.1 278 278 A Y G < S+ 0 0 41 -3,-2.0 2,-0.3 12,-0.1 -1,-0.2 0.263 87.4 60.7 -95.3 11.1 15.1 52.5 52.2 279 279 A Q S <> S- 0 0 0 -3,-0.7 4,-1.9 13,-0.2 13,-0.3 -0.974 78.1-132.6-134.1 151.5 18.3 50.4 52.6 280 280 A R H > S+ 0 0 99 -2,-0.3 4,-2.0 2,-0.2 10,-0.2 0.941 104.4 42.5 -71.8 -49.5 21.9 51.6 53.3 281 281 A N H > S+ 0 0 15 -233,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.923 116.1 48.1 -67.2 -41.7 23.7 49.5 50.7 282 282 A Y H >> S+ 0 0 2 2,-0.2 4,-0.9 1,-0.2 3,-0.5 0.919 108.4 56.7 -57.3 -44.6 21.1 50.0 48.0 283 283 A G H ><>S+ 0 0 0 -4,-1.9 5,-2.2 1,-0.3 3,-1.3 0.928 103.6 54.3 -56.1 -41.0 21.2 53.7 48.8 284 284 A L H ><5S+ 0 0 91 -4,-2.0 3,-1.9 1,-0.3 -1,-0.3 0.854 98.6 60.8 -61.8 -35.7 24.9 53.6 48.1 285 285 A T H <<5S+ 0 0 71 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.724 106.7 48.9 -65.7 -20.3 24.3 52.1 44.6 286 286 A K T <<5S- 0 0 118 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.193 124.4-103.6 -99.7 14.3 22.4 55.3 43.8 287 287 A G T < 5S+ 0 0 73 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.759 82.7 120.4 72.0 27.5 25.1 57.6 45.1 288 288 A K < - 0 0 106 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.2 -0.931 64.4-130.5-129.3 148.3 23.3 58.4 48.4 289 289 A Q + 0 0 183 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.1 -0.857 47.6 153.5 -88.3 121.9 23.6 58.1 52.1 290 290 A T - 0 0 24 -2,-0.6 2,-0.2 -10,-0.2 -12,-0.1 -0.912 41.6-108.7-141.7 164.5 20.4 56.5 53.4 291 291 A F + 0 0 86 -2,-0.3 2,-0.2 -14,-0.3 -8,-0.1 -0.643 39.3 159.7 -91.8 154.6 19.3 54.4 56.4 292 292 A G > - 0 0 8 -13,-0.3 3,-1.0 -2,-0.2 4,-0.4 -0.409 59.2 -30.6-143.1-134.4 18.4 50.7 56.2 293 293 A L T >> S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.846 122.9 64.6 -69.7 -32.6 18.1 47.7 58.5 294 294 A A H >> S+ 0 0 7 1,-0.3 4,-2.5 2,-0.2 3,-1.0 0.827 88.3 73.0 -58.3 -28.9 20.8 48.8 61.0 295 295 A Y H <>>S+ 0 0 14 -3,-1.0 5,-2.4 1,-0.3 4,-2.2 0.790 83.5 66.1 -60.5 -33.3 18.6 51.8 61.9 296 296 A L H <4>S+ 0 0 2 -3,-1.5 5,-2.9 -4,-0.4 -1,-0.3 0.938 115.5 29.0 -49.8 -45.4 16.2 49.6 63.8 297 297 A F H <<5S+ 0 0 32 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.806 124.0 45.9 -86.6 -37.2 19.0 48.8 66.3 298 298 A D H <5S+ 0 0 79 -4,-2.5 -3,-0.2 3,-0.1 -2,-0.2 0.770 134.6 3.0 -78.9 -30.7 21.0 52.0 66.1 299 299 A R T X5S+ 0 0 129 -4,-2.2 4,-1.5 -5,-0.3 -3,-0.2 0.722 124.9 47.3-126.6 -50.7 18.1 54.5 66.3 300 300 A F H > S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.866 107.3 53.2 -60.3 -34.9 16.9 53.1 71.6 303 303 A L H X S+ 0 0 35 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.891 106.2 54.6 -64.8 -37.2 14.0 55.6 71.1 304 304 A L H X>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 4,-0.5 0.910 109.6 45.4 -58.1 -44.6 11.7 52.9 72.3 305 305 A K H ><5S+ 0 0 97 -4,-1.9 3,-1.2 3,-0.2 -2,-0.2 0.923 110.1 57.4 -65.9 -39.6 13.7 52.5 75.6 306 306 A Q H 3<5S+ 0 0 155 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.867 104.9 47.8 -61.7 -36.8 13.8 56.3 75.8 307 307 A V H 3<5S- 0 0 41 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.553 131.8 -89.7 -86.8 -1.8 10.0 56.7 75.8 308 308 A G T <<5S+ 0 0 41 -3,-1.2 2,-0.5 -4,-0.5 -3,-0.2 0.680 75.3 143.8 109.9 21.5 9.8 54.0 78.5 309 309 A V < - 0 0 3 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.836 47.3-127.0 -90.0 126.6 9.5 50.6 76.7 310 310 A S > - 0 0 51 -2,-0.5 4,-2.0 1,-0.1 5,-0.1 -0.233 13.5-117.5 -70.7 160.9 11.4 47.9 78.7 311 311 A K H > S+ 0 0 149 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.814 116.9 56.8 -64.2 -30.4 14.0 45.6 77.4 312 312 A E H > S+ 0 0 135 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.877 106.5 47.4 -68.3 -41.1 11.7 42.7 78.3 313 313 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.907 112.5 50.5 -64.8 -40.7 8.9 44.1 76.2 314 314 A I H X S+ 0 0 11 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.904 106.5 54.7 -64.0 -39.9 11.3 44.6 73.4 315 315 A F H X>S+ 0 0 112 -4,-2.3 4,-2.1 2,-0.2 5,-1.6 0.903 110.6 46.4 -60.3 -39.3 12.5 41.0 73.8 316 316 A D H <>S+ 0 0 13 -4,-1.8 5,-3.4 3,-0.2 -2,-0.2 0.954 113.6 48.8 -64.1 -50.0 8.8 39.9 73.3 317 317 A I H <5S+ 0 0 1 -4,-2.9 -48,-0.5 1,-0.2 -2,-0.2 0.885 122.5 31.2 -58.8 -42.4 8.4 42.2 70.3 318 318 A L H <5S+ 0 0 8 -4,-3.0 -297,-2.2 -5,-0.2 -1,-0.2 0.757 137.9 10.2 -89.5 -25.4 11.5 41.0 68.5 319 319 A V T X5S+ 0 0 21 -4,-2.1 4,-1.8 -5,-0.3 -3,-0.2 0.741 123.4 42.0-122.0 -62.3 11.8 37.4 69.6 320 320 A N H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.883 109.0 58.0 -57.8 -35.1 7.5 36.2 66.0 323 323 A K H < S+ 0 0 64 -4,-1.8 -2,-0.2 1,-0.2 4,-0.2 0.836 113.5 40.2 -65.5 -32.5 8.3 32.8 67.5 324 324 A R H >< S+ 0 0 61 -4,-1.4 3,-0.8 -3,-0.4 -1,-0.2 0.945 118.8 41.9 -77.9 -52.6 4.6 32.5 68.3 325 325 A V H 3< S+ 0 0 0 -4,-2.9 -142,-0.2 1,-0.2 -2,-0.2 0.726 115.0 48.1 -77.4 -20.6 3.0 34.0 65.1 326 326 A L T 3< S+ 0 0 1 -4,-2.3 -319,-0.4 -5,-0.3 -1,-0.2 0.462 86.6 110.5 -94.3 -3.7 5.3 32.4 62.5 327 327 A A S < S- 0 0 6 -3,-0.8 -321,-0.2 -4,-0.2 2,-0.1 -0.544 74.2-114.8 -69.6 135.2 5.0 28.9 64.0 328 328 A F - 0 0 7 -323,-2.7 -323,-0.3 -2,-0.2 -147,-0.2 -0.458 24.4-141.1 -62.9 134.6 3.0 26.4 61.9 329 329 A D - 0 0 34 -149,-2.4 2,-0.1 -153,-0.2 3,-0.1 -0.544 36.9 -85.9 -78.6 164.2 -0.3 25.1 63.4 330 330 A E - 0 0 150 -2,-0.2 -150,-0.2 1,-0.1 -1,-0.1 -0.496 58.6 -90.6 -64.2 145.2 -1.2 21.4 62.9 331 331 A K - 0 0 142 -152,-0.2 2,-0.3 -2,-0.1 -153,-0.2 -0.202 49.7-173.7 -54.2 140.0 -3.0 20.8 59.6 332 332 A R - 0 0 107 -155,-1.8 2,-0.3 -156,-0.1 -152,-0.1 -0.895 26.8-108.1-129.5 165.6 -6.8 21.0 59.7 333 333 A N - 0 0 153 -2,-0.3 2,-0.5 2,-0.0 -155,-0.0 -0.719 32.3-126.3 -85.8 146.7 -9.7 20.3 57.3 334 334 A F - 0 0 36 -2,-0.3 3,-0.1 3,-0.0 -130,-0.1 -0.861 22.9-167.7 -93.2 125.1 -11.5 23.4 55.9 335 335 A D > - 0 0 71 -2,-0.5 3,-2.3 -132,-0.2 4,-0.2 -0.922 10.0-164.1-113.7 107.3 -15.3 23.2 56.5 336 336 A P G > S+ 0 0 73 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.755 87.2 66.9 -62.9 -19.9 -17.2 25.8 54.5 337 337 A L G 3 S+ 0 0 155 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.640 94.0 58.1 -77.8 -10.0 -20.2 25.2 56.6 338 338 A K G < S+ 0 0 166 -3,-2.3 -1,-0.3 -135,-0.1 2,-0.1 0.447 73.8 121.3 -95.7 1.6 -18.4 26.7 59.6 339 339 A V S < S- 0 0 11 -3,-1.2 -136,-0.2 -4,-0.2 -137,-0.1 -0.445 75.7 -99.9 -62.7 135.3 -17.7 30.0 58.0 340 340 A S > - 0 0 41 -138,-2.4 4,-2.5 -141,-0.2 5,-0.2 -0.149 19.9-122.3 -59.1 150.1 -19.4 32.7 60.2 341 341 A K H > S+ 0 0 184 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.882 112.7 57.9 -57.2 -42.6 -22.7 34.1 59.2 342 342 A E H > S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 110.5 43.9 -58.8 -40.1 -21.3 37.6 59.1 343 343 A V H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.926 113.1 50.3 -68.7 -45.8 -18.7 36.5 56.5 344 344 A L H X S+ 0 0 75 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.917 111.3 49.6 -59.1 -43.8 -21.3 34.5 54.5 345 345 A E H X S+ 0 0 86 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.893 110.5 49.2 -63.9 -38.7 -23.6 37.5 54.4 346 346 A L H X S+ 0 0 38 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.890 108.4 53.6 -69.4 -35.5 -20.8 39.8 53.3 347 347 A K H <>S+ 0 0 32 -4,-2.5 5,-3.0 2,-0.2 6,-0.5 0.924 109.6 49.2 -62.5 -41.6 -19.8 37.4 50.5 348 348 A K H ><5S+ 0 0 128 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.966 110.6 49.2 -62.6 -49.4 -23.4 37.4 49.3 349 349 A E H 3<5S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 112.3 48.9 -58.5 -32.9 -23.5 41.2 49.4 350 350 A L T 3<5S- 0 0 50 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.209 114.3-117.7 -93.6 15.2 -20.2 41.4 47.4 351 351 A N T < 5S+ 0 0 128 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.868 72.7 134.3 53.1 41.5 -21.5 38.9 44.8 352 352 A L < 0 0 34 -5,-3.0 -4,-0.2 -6,-0.1 -1,-0.1 0.589 360.0 360.0 -96.6 -11.6 -18.8 36.4 45.7 353 353 A N 0 0 142 -6,-0.5 -5,-0.0 -5,-0.1 -9,-0.0 0.343 360.0 360.0-106.0 360.0 -21.0 33.2 45.9