==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-DEC-08 3FND . COMPND 2 MOLECULE: CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR L.DAMODHARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 311 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.2 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 1 1 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 2 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 PARALLEL BRIDGES PER LADDER . 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 45 A S 0 0 141 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 51.3 8.4 17.3 27.1 2 46 A L - 0 0 163 1,-0.1 300,-0.1 272,-0.0 299,-0.0 -0.411 360.0 -88.7 -70.4 154.6 6.6 17.7 23.8 3 47 A K - 0 0 50 298,-0.3 2,-0.3 1,-0.1 271,-0.3 -0.231 40.1-140.5 -64.2 147.4 4.5 14.7 22.8 4 48 A V E -a 274 0A 7 269,-1.7 271,-2.2 -3,-0.1 2,-0.4 -0.816 8.8-160.2-108.0 150.8 6.1 11.9 20.8 5 49 A V E -a 275 0A 0 -2,-0.3 24,-2.4 269,-0.2 25,-1.9 -0.908 12.1-167.9-131.6 101.9 4.5 10.0 17.9 6 50 A I E -ab 276 30A 2 269,-2.6 271,-2.7 -2,-0.4 2,-0.5 -0.831 6.6-166.2 -96.6 104.2 6.3 6.8 17.5 7 51 A G E -ab 277 31A 0 23,-2.7 25,-2.3 -2,-0.8 2,-0.3 -0.800 15.2-136.6 -98.6 127.4 5.3 5.1 14.2 8 52 A Y E - b 0 32A 3 269,-2.5 272,-2.0 -2,-0.5 2,-0.5 -0.629 20.0-168.9 -77.5 134.3 6.1 1.5 13.4 9 53 A L E - b 0 33A 0 23,-2.8 25,-2.1 -2,-0.3 2,-0.8 -0.938 12.2-149.3-128.9 107.6 7.4 1.2 9.8 10 54 A A E > - b 0 34A 6 -2,-0.5 3,-1.6 23,-0.2 25,-0.2 -0.676 4.7-161.7 -79.5 109.6 7.6 -2.4 8.5 11 55 A L T 3 S+ 0 0 1 23,-1.7 -1,-0.1 -2,-0.8 24,-0.1 0.487 90.5 46.8 -71.1 -3.6 10.5 -2.3 6.0 12 56 A D T 3 S+ 0 0 97 22,-0.4 -1,-0.3 4,-0.1 23,-0.1 0.184 81.1 135.1-120.2 13.7 9.3 -5.6 4.4 13 57 A D X - 0 0 15 -3,-1.6 3,-1.6 1,-0.1 4,-0.3 -0.326 62.8-127.1 -62.7 143.1 5.7 -4.6 4.2 14 58 A W T 3 S+ 0 0 196 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.730 110.0 52.9 -66.3 -19.3 4.1 -5.4 0.8 15 59 A E T 3> S+ 0 0 15 1,-0.2 4,-3.1 2,-0.1 5,-0.4 0.379 79.7 103.4 -96.8 6.4 2.9 -1.8 0.5 16 60 A F H <> S+ 0 0 12 -3,-1.6 4,-3.2 1,-0.2 -1,-0.2 0.941 78.1 46.9 -51.8 -62.6 6.4 -0.4 1.1 17 61 A E H 4 S+ 0 0 140 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.882 120.4 40.3 -49.7 -43.5 7.3 0.6 -2.5 18 62 A S H 4 S+ 0 0 85 -4,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.868 126.2 30.4 -76.9 -37.2 4.0 2.2 -3.1 19 63 A L H >< S+ 0 0 8 -4,-3.1 3,-2.2 1,-0.1 4,-0.3 0.690 91.5 86.2-100.3 -19.4 3.4 3.9 0.2 20 64 A F G >< S+ 0 0 31 -4,-3.2 3,-1.6 -5,-0.4 -1,-0.1 0.888 88.7 56.8 -50.0 -42.8 6.9 4.9 1.6 21 65 A P G 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.695 103.3 57.0 -63.1 -16.0 6.9 8.1 -0.4 22 66 A T G < S+ 0 0 39 -3,-2.2 -2,-0.2 -4,-0.1 2,-0.1 0.369 70.2 134.4 -97.4 3.9 3.6 9.1 1.3 23 67 A I < - 0 0 17 -3,-1.6 2,-2.0 -4,-0.3 3,-0.2 -0.346 57.3-133.2 -58.3 125.1 4.7 8.9 5.0 24 68 A E > + 0 0 38 1,-0.2 3,-2.0 -2,-0.1 -1,-0.1 -0.523 32.3 173.9 -82.5 76.2 3.5 12.1 6.8 25 69 A W G > + 0 0 16 -2,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.766 68.2 70.9 -54.7 -30.6 6.8 12.9 8.5 26 70 A K G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.697 99.9 49.0 -63.9 -16.5 5.5 16.2 10.0 27 71 A Y G < S+ 0 0 14 -3,-2.0 2,-0.3 275,-0.0 -1,-0.3 0.098 101.4 77.5-109.4 21.8 3.3 14.1 12.3 28 72 A L < - 0 0 10 -3,-1.9 -22,-0.2 1,-0.1 3,-0.1 -0.948 43.4-179.7-129.0 149.0 6.0 11.8 13.6 29 73 A T S S+ 0 0 36 -24,-2.4 37,-2.2 1,-0.5 2,-0.3 0.622 80.4 8.8-113.5 -31.0 8.8 12.3 16.1 30 74 A H E -bc 6 66A 15 -25,-1.9 -23,-2.7 35,-0.2 -1,-0.5 -0.979 60.2-154.0-147.1 154.8 10.2 8.8 15.8 31 75 A I E -bc 7 67A 0 35,-1.9 37,-2.4 -2,-0.3 2,-0.7 -0.996 12.2-144.3-131.9 137.8 9.8 5.7 13.6 32 76 A N E -bc 8 68A 1 -25,-2.3 -23,-2.8 -2,-0.4 2,-0.5 -0.904 15.3-147.8-103.1 108.8 10.6 2.1 14.6 33 77 A A E -bc 9 69A 0 35,-2.9 37,-3.3 -2,-0.7 2,-0.4 -0.661 32.5-117.0 -75.8 122.4 12.0 0.2 11.6 34 78 A S E +b 10 0A 0 -25,-2.1 -23,-1.7 -2,-0.5 -22,-0.4 -0.945 59.8 8.6-123.3 141.5 10.8 -3.4 12.0 35 79 A F E + 0 0 19 35,-0.5 2,-0.5 -2,-0.4 36,-0.2 0.584 28.8 166.0-138.7 153.7 12.2 -5.9 12.4 36 80 A A E - c 0 71A 0 34,-2.7 36,-1.8 -3,-0.2 2,-0.4 -0.896 48.1-132.7 -95.8 128.2 15.7 -7.1 13.1 37 81 A R E -Dc 45 72A 69 8,-3.0 8,-3.1 -2,-0.5 2,-0.6 -0.768 7.0-132.9 -94.8 134.7 14.9 -10.7 14.1 38 82 A V E -Dc 44 73A 0 34,-2.6 36,-2.4 -2,-0.4 37,-0.4 -0.729 20.5-155.2 -87.4 117.3 16.4 -12.3 17.3 39 83 A K > - 0 0 81 4,-2.8 3,-2.1 -2,-0.6 53,-0.1 -0.520 28.3-109.2 -90.0 156.9 17.9 -15.8 16.7 40 84 A A T 3 S+ 0 0 32 1,-0.3 45,-0.2 -2,-0.2 -1,-0.1 0.761 116.2 55.7 -54.9 -30.0 18.4 -18.4 19.5 41 85 A D T 3 S- 0 0 92 2,-0.1 -1,-0.3 47,-0.1 3,-0.1 0.317 122.1-101.6 -89.0 9.4 22.2 -18.1 19.5 42 86 A G S < S+ 0 0 0 -3,-2.1 53,-0.3 1,-0.3 2,-0.1 0.427 86.2 118.4 88.6 -2.8 22.0 -14.3 20.2 43 87 A T - 0 0 35 52,-0.1 -4,-2.8 -5,-0.0 2,-0.4 -0.477 60.1-114.7 -92.3 169.0 22.7 -13.3 16.6 44 88 A L E -D 38 0A 23 -6,-0.2 2,-0.8 -2,-0.1 -6,-0.2 -0.838 5.1-147.8-113.3 144.1 20.3 -11.3 14.4 45 89 A N E +D 37 0A 34 -8,-3.1 -8,-3.0 -2,-0.4 -10,-0.1 -0.914 24.9 171.4-102.0 105.0 18.5 -12.0 11.2 46 90 A I >> + 0 0 39 -2,-0.8 4,-2.8 -10,-0.2 3,-1.3 0.211 41.3 111.4-102.1 15.8 18.4 -8.6 9.5 47 91 A N T 34 S+ 0 0 101 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.869 72.0 59.4 -57.6 -38.8 17.0 -9.7 6.1 48 92 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.3 0, 0.0 -12,-0.1 0.744 123.7 19.5 -64.3 -19.5 13.7 -7.9 6.7 49 93 A V T X> S+ 0 0 2 -3,-1.3 4,-2.5 -14,-0.2 3,-0.9 0.574 95.1 94.9-125.5 -13.6 15.5 -4.5 7.0 50 94 A R T 3< S+ 0 0 116 -4,-2.8 4,-0.4 1,-0.2 -3,-0.1 0.866 88.4 44.9 -49.6 -50.0 19.0 -4.8 5.5 51 95 A K T 34 S+ 0 0 174 -4,-0.5 -1,-0.2 1,-0.2 4,-0.2 0.696 125.8 28.7 -73.0 -19.6 18.2 -3.4 2.0 52 96 A R T <> S+ 0 0 63 -3,-0.9 4,-2.6 2,-0.1 5,-0.3 0.569 90.8 91.6-118.4 -10.9 16.1 -0.5 3.1 53 97 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.1 0.880 90.3 48.1 -53.6 -43.5 17.3 0.6 6.5 54 98 A E H > S+ 0 0 103 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.925 113.3 45.4 -65.8 -46.2 19.8 3.1 5.2 55 99 A S H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.915 114.6 48.3 -64.1 -43.9 17.4 4.8 2.8 56 100 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.902 111.2 52.1 -63.6 -39.6 14.7 5.0 5.4 57 101 A R H X S+ 0 0 33 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.952 111.0 46.0 -60.8 -50.1 17.3 6.4 7.9 58 102 A E H X S+ 0 0 107 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.927 114.9 47.3 -60.3 -44.5 18.3 9.1 5.5 59 103 A T H X S+ 0 0 43 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.931 112.8 48.7 -63.1 -45.9 14.7 10.0 4.6 60 104 A A H ><>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.2 3,-0.8 0.947 113.6 46.5 -59.6 -48.8 13.7 10.1 8.3 61 105 A H H ><5S+ 0 0 62 -4,-2.8 3,-2.1 1,-0.3 -1,-0.2 0.868 104.6 60.1 -63.5 -35.8 16.6 12.3 9.3 62 106 A K H 3<5S+ 0 0 163 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.807 109.6 44.8 -61.5 -27.7 16.1 14.6 6.4 63 107 A H T <<5S- 0 0 100 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.219 120.7-111.6 -98.8 11.6 12.6 15.2 7.9 64 108 A N T < 5S+ 0 0 153 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.837 72.9 138.0 61.0 36.4 14.1 15.6 11.4 65 109 A V < - 0 0 2 -5,-2.6 -35,-0.2 -8,-0.1 -1,-0.2 -0.943 51.1-126.9-113.2 132.1 12.5 12.3 12.6 66 110 A K E -c 30 0A 96 -37,-2.2 -35,-1.9 -2,-0.4 2,-0.4 -0.410 20.0-149.5 -76.5 154.8 14.5 9.8 14.7 67 111 A I E -c 31 0A 0 -37,-0.2 39,-2.9 -2,-0.1 40,-0.6 -0.991 13.8-178.2-131.7 132.9 14.8 6.2 13.7 68 112 A L E -ce 32 107A 2 -37,-2.4 -35,-2.9 -2,-0.4 2,-0.5 -0.928 27.8-122.8-125.6 151.3 15.2 3.1 15.9 69 113 A I E -ce 33 108A 1 38,-1.8 40,-2.6 -2,-0.3 2,-0.4 -0.832 27.4-145.5 -94.1 126.7 15.6 -0.5 15.0 70 114 A S E - e 0 109A 0 -37,-3.3 -34,-2.7 -2,-0.5 -35,-0.5 -0.763 9.5-150.4 -95.0 142.4 12.9 -2.7 16.5 71 115 A L E +ce 36 110A 1 38,-2.8 40,-2.8 -2,-0.4 2,-0.3 -0.948 21.7 161.9-120.1 126.0 13.7 -6.2 17.6 72 116 A A E -c 37 0A 6 -36,-1.8 -34,-2.6 -2,-0.5 40,-0.1 -0.885 47.1 -71.1-134.2 164.8 11.4 -9.2 17.7 73 117 A K E -c 38 0A 48 38,-0.4 -34,-0.2 -2,-0.3 -1,-0.1 -0.214 29.6-140.6 -57.3 140.7 11.7 -13.0 17.9 74 118 A N S S- 0 0 53 -36,-2.4 -1,-0.1 1,-0.3 -35,-0.1 0.870 83.6 -23.2 -69.7 -34.9 13.0 -14.7 14.7 75 119 A S S >> S- 0 0 43 -37,-0.4 3,-2.2 0, 0.0 4,-0.5 -0.952 101.4 -46.0-164.6 167.1 10.5 -17.5 15.4 76 120 A P T 34 S+ 0 0 115 0, 0.0 38,-0.1 0, 0.0 -2,-0.0 -0.160 124.0 0.0 -47.1 122.0 8.6 -18.9 18.4 77 121 A G T 3> S+ 0 0 28 1,-0.1 4,-2.1 4,-0.0 5,-0.2 0.276 98.8 107.5 83.0 -10.9 10.9 -19.4 21.4 78 122 A E H <> S+ 0 0 38 -3,-2.2 4,-2.0 2,-0.2 -36,-0.2 0.851 80.8 47.8 -69.6 -33.9 14.1 -18.1 19.8 79 123 A F H X S+ 0 0 0 -4,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.887 111.8 51.5 -72.9 -37.5 14.1 -14.8 21.7 80 124 A T H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.911 109.9 48.6 -64.2 -42.0 13.4 -16.8 25.0 81 125 A T H X S+ 0 0 60 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.925 108.7 55.5 -62.7 -43.4 16.3 -19.1 24.2 82 126 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 112.6 40.0 -59.0 -38.6 18.6 -16.2 23.5 83 127 A I H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.798 113.1 52.0 -85.5 -28.2 18.0 -14.5 26.9 84 128 A N H < S+ 0 0 57 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.791 96.8 77.2 -75.8 -27.8 18.0 -17.6 29.1 85 129 A D S X S- 0 0 78 -4,-1.8 4,-3.1 -5,-0.2 5,-0.2 -0.763 77.5-149.0 -86.6 110.1 21.3 -18.6 27.6 86 130 A P H > S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.857 94.2 42.6 -44.3 -53.2 24.0 -16.5 29.3 87 131 A K H > S+ 0 0 176 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.884 115.2 50.1 -67.3 -37.4 26.5 -16.4 26.4 88 132 A A H > S+ 0 0 6 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.937 108.7 53.8 -64.0 -45.3 23.7 -15.9 23.8 89 133 A R H X S+ 0 0 39 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.898 110.2 45.7 -55.0 -45.7 22.3 -13.0 25.9 90 134 A K H X S+ 0 0 141 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.868 113.1 50.6 -67.6 -36.6 25.7 -11.2 26.0 91 135 A E H X S+ 0 0 79 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.952 109.1 51.1 -64.9 -49.4 26.1 -11.8 22.2 92 136 A L H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.873 107.9 52.9 -54.9 -41.9 22.6 -10.4 21.5 93 137 A I H X S+ 0 0 12 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.926 112.0 45.2 -61.1 -45.5 23.4 -7.3 23.6 94 138 A Q H X S+ 0 0 117 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.928 111.7 52.7 -63.5 -46.1 26.6 -6.8 21.5 95 139 A Q H X S+ 0 0 59 -4,-3.1 4,-2.8 -53,-0.3 -2,-0.2 0.921 110.9 46.8 -55.4 -48.8 24.7 -7.4 18.3 96 140 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.954 114.2 45.1 -60.5 -53.2 22.0 -4.9 19.1 97 141 A I H X S+ 0 0 13 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.871 115.4 50.2 -59.7 -37.4 24.4 -2.1 20.2 98 142 A A H X S+ 0 0 53 -4,-2.6 4,-3.2 -5,-0.2 5,-0.3 0.930 109.0 49.1 -67.3 -47.7 26.6 -2.8 17.1 99 143 A F H X S+ 0 0 12 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.911 112.7 48.9 -58.1 -45.1 23.7 -2.7 14.6 100 144 A T H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 -1,-0.2 0.946 116.1 42.2 -60.9 -50.7 22.5 0.6 16.0 101 145 A K H ><5S+ 0 0 104 -4,-2.2 3,-1.8 -5,-0.2 -2,-0.2 0.956 114.5 50.1 -60.9 -54.6 26.0 2.2 15.9 102 146 A E H 3<5S+ 0 0 126 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.876 114.8 43.0 -52.3 -45.9 26.9 0.8 12.5 103 147 A Y T 3<5S- 0 0 26 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.296 108.1-125.9 -87.8 11.0 23.7 2.0 10.9 104 148 A K T < 5 + 0 0 152 -3,-1.8 -3,-0.2 1,-0.1 2,-0.1 0.886 52.3 162.1 46.1 50.3 24.0 5.3 12.7 105 149 A L < - 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0 0 10 -5,-2.5 -69,-0.2 -6,-0.2 -1,-0.2 -0.462 53.1-106.2 -84.4 164.5 1.5 11.0 29.1 273 317 A A - 0 0 11 -68,-1.5 -269,-1.7 -71,-1.4 2,-0.3 0.809 65.8 -92.5 -61.0 -36.4 4.5 10.9 26.8 274 318 A G E -ai 4 206A 0 -69,-0.8 -67,-2.1 -271,-0.3 2,-0.3 -0.993 48.2 -58.1 155.8-152.6 2.6 10.5 23.6 275 319 A V E -ai 5 207A 0 -271,-2.2 -269,-2.6 -2,-0.3 2,-0.3 -0.896 27.8-152.5-130.6 161.0 1.4 7.8 21.2 276 320 A X E -ai 6 208A 0 -69,-2.2 -67,-2.3 -2,-0.3 2,-0.4 -0.916 15.6-145.1-127.0 154.0 2.8 4.9 19.2 277 321 A I E -ai 7 209A 0 -271,-2.7 -269,-2.5 -2,-0.3 2,-0.4 -0.973 6.8-141.6-131.0 136.0 1.3 3.4 16.0 278 322 A W E S- i 0 210A 60 -69,-2.3 -67,-2.0 -2,-0.4 -66,-0.2 -0.946 83.0 -6.0-129.9 106.6 1.1 -0.1 14.5 279 323 A Q > - 0 0 5 -2,-0.4 3,-1.7 -271,-0.3 4,-0.3 0.664 46.3-163.5-141.2 154.1 1.6 0.5 11.7 280 324 A L G > S+ 0 0 13 -272,-2.0 3,-1.3 -3,-0.4 14,-0.1 0.781 93.6 57.5 -48.3 -41.1 1.9 3.4 9.4 281 325 A F G 3 S+ 0 0 4 -273,-0.3 -1,-0.3 1,-0.2 -48,-0.1 0.702 93.0 68.7 -67.8 -18.3 1.3 1.7 6.0 282 326 A Q G < S+ 0 0 17 -3,-1.7 -49,-2.2 -50,-0.1 -50,-0.3 0.593 80.0 104.4 -76.9 -8.8 -2.1 0.4 7.1 283 327 A D S < S- 0 0 6 -3,-1.3 -50,-0.2 -4,-0.3 9,-0.1 -0.089 86.6 -77.3 -65.0 168.6 -3.5 3.9 7.0 284 328 A A - 0 0 4 4,-0.1 -1,-0.1 7,-0.1 2,-0.1 -0.202 51.3-116.0 -64.6 161.4 -5.8 5.2 4.2 285 329 A H > - 0 0 57 -52,-0.1 3,-2.8 -3,-0.1 6,-0.2 -0.379 34.1 -88.7 -95.1 175.4 -4.1 6.2 0.9 286 330 A N G > S+ 0 0 95 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.773 122.9 69.5 -57.0 -25.3 -3.9 9.5 -0.8 287 331 A D G 3 S+ 0 0 122 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.693 115.8 27.3 -66.3 -14.5 -7.2 8.8 -2.6 288 332 A N G X S+ 0 0 32 -3,-2.8 3,-2.3 1,-0.1 -1,-0.3 -0.060 83.9 142.5-133.9 30.6 -8.7 9.2 1.0 289 333 A Y G X + 0 0 73 -3,-1.6 3,-2.6 1,-0.3 6,-0.2 0.849 66.9 55.1 -38.8 -59.8 -6.1 11.6 2.4 290 334 A D G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.689 107.1 54.2 -55.4 -17.1 -8.4 13.8 4.5 291 335 A L G < S+ 0 0 28 -3,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 0.386 79.2 129.7 -99.2 4.6 -9.6 10.6 6.2 292 336 A K <> - 0 0 8 -3,-2.6 4,-0.9 -4,-0.3 3,-0.4 -0.300 56.8-140.7 -64.9 139.3 -6.2 9.3 7.3 293 337 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.832 100.5 63.4 -66.7 -33.6 -5.7 8.3 10.9 294 338 A I H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.858 100.4 54.1 -62.2 -30.2 -2.2 9.7 11.0 295 339 A N H > S+ 0 0 5 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.849 104.9 52.6 -72.0 -32.3 -3.8 13.2 10.4 296 340 A V H X S+ 0 0 5 -4,-0.9 4,-2.2 -3,-0.3 5,-0.2 0.965 112.2 46.3 -63.6 -48.5 -6.1 12.7 13.4 297 341 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.907 112.3 51.7 -58.1 -43.1 -3.0 11.9 15.4 298 342 A G H X>S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-1.5 0.913 108.6 49.0 -62.3 -45.0 -1.2 14.9 13.9 299 343 A R H <>S+ 0 0 92 -4,-2.6 5,-3.3 3,-0.2 4,-0.3 0.914 118.1 40.1 -61.3 -43.3 -4.0 17.4 14.7 300 344 A E H <5S+ 0 0 21 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.843 125.9 33.0 -75.9 -35.8 -4.3 16.2 18.4 301 345 A X H <5S+ 0 0 18 -4,-2.7 -298,-0.3 -5,-0.2 -3,-0.2 0.796 130.8 24.6 -94.3 -30.9 -0.5 15.8 19.1 302 346 A X T <5S+ 0 0 44 -4,-2.5 -3,-0.2 -5,-0.4 4,-0.1 0.789 131.3 26.1-103.2 -36.7 1.2 18.5 17.0 303 347 A E T >>