==== 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 15-MAY-10 3N12 . COMPND 2 MOLECULE: CHITINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR Y.-C.HSIEH,Y.-J.WU,W.-G.WU,Y.-K.LI,C.-J.CHEN . 332 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 0 2 0 0 0 0 0 1 3 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 3 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 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 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 29 A N 0 0 67 0, 0.0 153,-0.1 0, 0.0 155,-0.0 0.000 360.0 360.0 360.0 -9.6 -3.8 16.1 66.2 2 30 A N + 0 0 165 1,-0.2 2,-0.3 0, 0.0 152,-0.0 0.718 360.0 159.8 62.0 22.4 -5.2 19.7 66.7 3 31 A L - 0 0 24 1,-0.1 -1,-0.2 2,-0.0 69,-0.1 -0.575 39.9-114.8 -76.1 138.8 -5.6 20.1 62.9 4 32 A G - 0 0 41 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 -0.095 18.5-116.0 -66.9 169.9 -8.0 22.8 61.7 5 33 A S S S+ 0 0 85 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.620 104.8 41.8 -88.3 -15.8 -11.3 22.1 59.9 6 34 A K S S- 0 0 22 2,-0.0 2,-0.3 295,-0.0 295,-0.2 -0.920 82.7-174.0-133.4 109.4 -10.3 23.8 56.6 7 35 A L E -a 301 0A 2 293,-3.2 295,-2.1 -2,-0.4 2,-0.5 -0.718 28.9-154.1-111.1 150.2 -6.7 23.2 55.6 8 36 A L E -a 302 0A 0 -2,-0.3 24,-2.5 293,-0.2 25,-1.6 -0.994 21.0-169.3-112.7 118.4 -4.1 24.2 53.0 9 37 A V E -ab 303 33A 0 293,-2.5 295,-2.4 -2,-0.5 2,-0.4 -0.946 7.0-169.8-110.3 121.1 -1.6 21.4 52.5 10 38 A G E -ab 304 34A 0 23,-2.7 25,-2.9 -2,-0.5 2,-0.3 -0.937 20.3-131.3-120.5 134.0 1.5 22.3 50.5 11 39 A Y E - b 0 35A 2 293,-2.3 296,-3.2 -2,-0.4 297,-0.6 -0.606 22.6-151.2 -76.4 139.2 4.2 20.2 49.0 12 40 A W E - b 0 36A 0 23,-3.0 25,-2.7 -2,-0.3 2,-0.6 -0.959 14.0-126.0-119.3 121.1 7.7 21.5 49.8 13 41 A H E - b 0 37A 0 -2,-0.5 2,-1.0 23,-0.2 9,-0.3 -0.542 13.8-166.3 -72.5 114.1 10.6 20.9 47.4 14 42 A N S S+ 0 0 24 23,-2.9 2,-0.3 -2,-0.6 -1,-0.1 -0.331 78.6 44.3 -85.6 51.4 13.6 19.3 49.0 15 43 A F S S- 0 0 58 -2,-1.0 2,-0.6 5,-0.2 -2,-0.1 -0.948 89.4-105.3-178.9 161.1 15.4 20.2 45.8 16 44 A D + 0 0 99 -2,-0.3 5,-0.1 1,-0.1 -2,-0.0 -0.923 34.5 166.3-109.5 107.3 15.8 23.1 43.4 17 45 A N S S- 0 0 76 -2,-0.6 -1,-0.1 3,-0.3 4,-0.0 0.174 77.7 -75.3 -99.8 15.1 14.0 22.4 40.1 18 46 A G S S+ 0 0 54 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.114 124.8 86.2 110.9 -19.1 14.3 26.0 39.0 19 47 A T S S- 0 0 22 1,-0.2 -3,-0.1 0, 0.0 -6,-0.0 0.526 95.6-120.8 -89.3 -7.4 11.7 27.4 41.3 20 48 A G - 0 0 22 2,-0.0 2,-0.4 292,-0.0 -3,-0.3 -0.014 22.6 -76.6 91.7 163.5 14.2 27.8 44.1 21 49 A I - 0 0 66 -5,-0.1 2,-0.5 -3,-0.1 -5,-0.1 -0.845 34.4-159.5-100.5 136.5 14.6 26.5 47.6 22 50 A I - 0 0 28 -2,-0.4 5,-0.1 -9,-0.3 286,-0.1 -0.977 19.9-130.0-115.1 117.9 12.5 28.0 50.4 23 51 A K > - 0 0 106 -2,-0.5 3,-2.2 1,-0.1 4,-0.5 -0.350 27.6-111.0 -63.5 148.3 13.9 27.4 53.9 24 52 A L G > S+ 0 0 2 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.856 117.4 53.2 -53.1 -40.7 11.3 26.0 56.3 25 53 A K G 3 S+ 0 0 117 1,-0.3 -1,-0.3 42,-0.0 -2,-0.1 0.621 106.0 55.9 -71.5 -11.0 11.1 29.2 58.4 26 54 A D G < S+ 0 0 118 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.428 79.8 114.4 -99.7 -2.2 10.5 31.2 55.2 27 55 A V S < S- 0 0 17 -3,-1.3 281,-0.0 -4,-0.5 -15,-0.0 -0.484 81.7 -96.5 -68.4 137.0 7.4 29.2 54.1 28 56 A S > - 0 0 22 -2,-0.2 3,-1.5 1,-0.2 -1,-0.1 -0.275 23.7-134.3 -54.8 135.3 4.2 31.2 54.2 29 57 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.604 95.9 83.1 -68.2 -9.3 2.2 30.7 57.4 30 58 A K T 3 S+ 0 0 65 2,-0.0 2,-0.4 0, 0.0 -22,-0.2 0.734 73.3 86.4 -69.1 -19.8 -0.9 30.3 55.3 31 59 A W < - 0 0 2 -3,-1.5 -22,-0.2 1,-0.1 3,-0.1 -0.676 58.8-170.1 -79.1 131.6 0.1 26.6 54.8 32 60 A D S S+ 0 0 35 -24,-2.5 41,-1.8 -2,-0.4 2,-0.4 0.780 74.3 29.2 -89.3 -32.9 -1.2 24.4 57.6 33 61 A V E -bc 9 73A 0 -25,-1.6 -23,-2.7 39,-0.2 2,-0.5 -0.994 67.7-154.1-133.1 136.4 0.7 21.3 56.6 34 62 A I E -bc 10 74A 4 39,-2.7 41,-3.0 -2,-0.4 2,-0.9 -0.957 5.8-156.5-114.0 115.3 4.0 21.1 54.8 35 63 A N E -bc 11 75A 0 -25,-2.9 -23,-3.0 -2,-0.5 2,-0.3 -0.812 16.1-143.5 -94.1 100.7 4.7 17.9 52.8 36 64 A V E -bc 12 76A 0 39,-3.0 41,-2.7 -2,-0.9 2,-0.5 -0.509 26.2-117.7 -70.1 123.0 8.4 17.5 52.6 37 65 A S E +bc 13 77A 0 -25,-2.7 -23,-2.9 -2,-0.3 41,-0.1 -0.924 67.6 3.9-120.8 114.3 9.2 16.1 49.1 38 66 A F E - 0 0 23 39,-0.6 2,-0.4 -2,-0.5 -1,-0.2 0.615 31.4-173.6-142.8 159.8 10.6 13.5 49.0 39 67 A G E - c 0 78A 0 38,-3.0 40,-1.3 -3,-0.3 2,-0.2 -0.713 44.2-162.8 -73.0 134.0 11.9 10.5 51.0 40 68 A E E -J 49 0B 58 9,-2.5 9,-3.1 -2,-0.4 43,-0.3 -0.712 14.3-136.5-124.7 171.9 13.6 8.5 48.3 41 69 A T E -J 48 0B 16 41,-2.3 43,-0.2 -2,-0.2 7,-0.1 -0.851 8.6-161.7-127.8 159.9 15.0 5.0 47.7 42 70 A G > - 0 0 29 5,-0.5 3,-2.0 -2,-0.3 -1,-0.1 -0.074 61.7 -32.7-114.0-143.1 18.1 3.4 46.2 43 71 A G T 3 S+ 0 0 78 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.834 132.6 51.8 -48.8 -43.5 18.9 -0.1 44.8 44 72 A D T 3 S- 0 0 67 3,-0.1 -1,-0.3 1,-0.1 42,-0.2 0.488 91.8-144.2 -81.9 -0.9 16.7 -2.0 47.2 45 73 A R S < S+ 0 0 103 -3,-2.0 41,-3.2 1,-0.2 -2,-0.1 0.762 85.7 65.1 47.3 32.8 13.6 0.1 46.4 46 74 A S + 0 0 0 1,-0.2 2,-0.8 39,-0.2 -1,-0.2 0.492 69.2 86.6-152.2 -32.9 12.5 -0.2 50.0 47 75 A T S S- 0 0 52 52,-0.1 -5,-0.5 51,-0.1 2,-0.3 -0.727 70.2-146.4 -81.3 110.4 14.9 1.6 52.4 48 76 A V E -J 41 0B 6 -2,-0.8 2,-0.3 47,-0.3 -7,-0.2 -0.615 18.0-172.4 -81.9 136.1 13.7 5.2 52.5 49 77 A E E +J 40 0B 115 -9,-3.1 -9,-2.5 -2,-0.3 2,-0.3 -0.919 7.1 179.9-126.4 152.4 16.3 7.8 52.9 50 78 A F + 0 0 19 -2,-0.3 -11,-0.1 -11,-0.2 -2,-0.0 -0.946 7.8 173.7-155.1 134.2 16.2 11.6 53.4 51 79 A S - 0 0 77 -2,-0.3 5,-0.0 -37,-0.1 -2,-0.0 -0.994 41.5-103.6-138.6 133.0 18.6 14.4 53.8 52 80 A P - 0 0 11 0, 0.0 5,-0.1 0, 0.0 -38,-0.1 -0.250 21.1-136.4 -57.0 138.0 17.7 18.1 54.0 53 81 A V S S+ 0 0 52 1,-0.1 2,-0.3 -40,-0.0 -37,-0.1 0.772 89.2 33.8 -65.7 -26.8 18.4 20.1 50.8 54 82 A Y S S- 0 0 31 2,-0.1 -1,-0.1 -39,-0.0 6,-0.1 -0.957 109.9 -11.0-129.8 148.6 19.9 22.9 52.9 55 83 A G S S- 0 0 62 -2,-0.3 2,-0.2 4,-0.1 3,-0.0 -0.032 91.3 -36.1 68.9-164.6 21.9 23.1 56.1 56 84 A T > - 0 0 73 1,-0.1 4,-1.8 -5,-0.0 5,-0.2 -0.497 48.6-114.1 -96.6 163.7 22.6 20.5 58.7 57 85 A D H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 116.3 51.3 -58.9 -47.8 20.4 17.6 60.1 58 86 A A H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 110.0 49.0 -59.0 -41.7 20.2 19.2 63.5 59 87 A D H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.845 108.6 52.8 -71.0 -32.5 19.1 22.6 62.1 60 88 A F H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.926 108.9 50.2 -67.0 -43.9 16.4 21.0 60.0 61 89 A K H X S+ 0 0 93 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.915 111.5 49.2 -56.4 -44.6 15.1 19.2 63.0 62 90 A S H X S+ 0 0 68 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.898 108.4 52.7 -62.8 -42.3 15.1 22.6 64.8 63 91 A D H X S+ 0 0 22 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.914 110.2 48.7 -58.8 -43.4 13.3 24.2 61.9 64 92 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.920 109.9 50.8 -63.8 -43.9 10.6 21.5 62.1 65 93 A S H X S+ 0 0 53 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.894 108.8 53.2 -60.5 -40.0 10.2 21.9 65.9 66 94 A Y H X S+ 0 0 104 -4,-2.4 4,-0.9 2,-0.2 3,-0.2 0.962 110.4 45.6 -58.8 -53.8 9.8 25.7 65.3 67 95 A L H ><>S+ 0 0 11 -4,-2.3 5,-2.2 1,-0.2 3,-1.0 0.909 111.6 52.6 -56.4 -43.9 7.0 25.2 62.8 68 96 A K H ><5S+ 0 0 74 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.856 103.3 57.8 -62.1 -34.0 5.3 22.6 65.1 69 97 A S H 3<5S+ 0 0 84 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.728 103.6 54.3 -68.3 -21.0 5.5 25.2 67.9 70 98 A K T <<5S- 0 0 125 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.257 127.8 -99.9 -94.5 9.7 3.5 27.5 65.7 71 99 A G T < 5S+ 0 0 56 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.472 80.9 132.1 88.6 3.2 0.8 24.9 65.2 72 100 A K < - 0 0 44 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.426 49.1-135.1 -82.4 160.9 2.0 23.7 61.8 73 101 A K E -c 33 0A 23 -41,-1.8 -39,-2.7 -2,-0.1 2,-0.5 -0.950 9.0-158.0-115.1 140.7 2.5 20.0 60.7 74 102 A V E -c 34 0A 0 -2,-0.4 36,-3.2 34,-0.2 37,-0.6 -0.976 15.9-174.2-121.2 119.4 5.5 18.8 58.9 75 103 A V E -cd 35 111A 0 -41,-3.0 -39,-3.0 -2,-0.5 2,-0.7 -0.866 23.7-128.8-118.4 139.2 5.0 15.5 57.0 76 104 A L E -cd 36 112A 0 35,-2.3 37,-2.5 -2,-0.4 2,-0.4 -0.811 24.1-152.5 -88.7 118.1 7.4 13.3 55.1 77 105 A S E -cd 37 113A 0 -41,-2.7 -38,-3.0 -2,-0.7 -39,-0.6 -0.775 2.1-152.7 -91.4 133.5 6.2 12.5 51.6 78 106 A I E +cd 39 114A 0 35,-2.9 37,-2.6 -2,-0.4 2,-0.3 -0.922 55.5 52.3-106.5 124.7 7.3 9.3 50.0 79 107 A G E + d 0 115A 1 -40,-1.3 3,-0.2 -2,-0.5 37,-0.2 -0.996 40.1 124.8 152.4-153.2 7.4 9.3 46.2 80 108 A G S > S- 0 0 26 35,-0.8 3,-1.9 -2,-0.3 37,-0.2 -0.087 83.3 -57.5 80.4 172.6 8.8 11.3 43.3 81 109 A Q T 3 S+ 0 0 166 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.813 140.2 41.4 -58.3 -31.8 11.0 10.0 40.5 82 110 A N T 3 S+ 0 0 76 -3,-0.2 -41,-2.3 1,-0.2 -1,-0.3 0.127 101.3 74.3-105.5 20.0 13.6 8.8 42.9 83 111 A G < + 0 0 0 -3,-1.9 2,-0.3 -43,-0.3 -1,-0.2 -0.166 55.6 156.3-127.0 40.6 11.3 7.4 45.5 84 112 A V - 0 0 29 -3,-0.3 2,-0.5 -43,-0.2 35,-0.1 -0.527 24.1-161.3 -69.0 126.7 10.0 4.1 44.0 85 113 A V - 0 0 0 33,-0.5 2,-0.5 -2,-0.3 -39,-0.2 -0.954 10.2-178.4-116.5 119.3 8.8 1.7 46.8 86 114 A L + 0 0 68 -41,-3.2 3,-0.1 -2,-0.5 34,-0.1 -0.971 7.1 177.2-119.9 121.9 8.5 -2.0 46.0 87 115 A L + 0 0 0 -2,-0.5 52,-0.3 32,-0.2 53,-0.1 -0.617 16.8 153.4-123.1 69.5 7.2 -4.3 48.8 88 116 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.727 69.6 2.8 -71.9 -21.3 7.0 -7.8 47.2 89 117 A D S > S- 0 0 85 -3,-0.1 4,-2.1 47,-0.1 3,-0.2 -0.906 86.8 -80.9-154.6 179.8 7.5 -9.6 50.5 90 118 A N H > S+ 0 0 92 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.859 119.5 58.0 -58.8 -40.5 8.0 -9.3 54.3 91 119 A A H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.936 110.0 43.4 -55.9 -49.7 11.7 -8.6 54.0 92 120 A A H > S+ 0 0 0 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.909 110.5 56.3 -62.5 -43.4 11.1 -5.5 51.9 93 121 A K H X S+ 0 0 29 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.891 107.1 49.3 -57.2 -41.8 8.1 -4.4 54.1 94 122 A D H X S+ 0 0 63 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.886 107.4 52.7 -68.3 -40.7 10.3 -4.4 57.2 95 123 A R H X S+ 0 0 98 -4,-1.7 4,-2.2 -5,-0.2 -47,-0.3 0.911 112.8 47.7 -58.4 -41.2 13.1 -2.3 55.6 96 124 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.960 113.3 45.7 -64.2 -53.8 10.4 0.2 54.6 97 125 A I H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.940 116.3 45.2 -55.1 -51.8 8.8 0.3 58.1 98 126 A N H X S+ 0 0 92 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.890 112.4 49.7 -64.7 -40.7 12.1 0.6 59.9 99 127 A S H X S+ 0 0 14 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.891 112.5 48.1 -67.4 -38.0 13.7 3.2 57.6 100 128 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.941 111.5 48.6 -67.0 -47.6 10.5 5.4 57.9 101 129 A Q H X S+ 0 0 25 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.914 109.6 53.8 -58.5 -41.7 10.3 5.2 61.6 102 130 A S H X S+ 0 0 75 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.919 110.8 46.0 -58.6 -43.7 14.0 6.0 61.8 103 131 A L H X S+ 0 0 18 -4,-1.9 4,-2.2 2,-0.2 6,-0.3 0.893 112.0 50.0 -67.1 -41.0 13.5 9.2 59.8 104 132 A I H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 5,-0.5 0.926 113.4 47.1 -62.7 -42.8 10.4 10.2 61.7 105 133 A D H < S+ 0 0 103 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.900 112.9 49.6 -63.4 -41.6 12.4 9.8 65.0 106 134 A K H < S+ 0 0 102 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.883 126.0 22.0 -68.0 -40.4 15.4 11.7 63.6 107 135 A Y H < S- 0 0 3 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.606 98.7-119.4-108.9 -15.3 13.6 14.8 62.3 108 136 A G < - 0 0 18 -4,-2.3 -34,-0.2 -5,-0.3 -3,-0.1 0.772 41.5-179.4 80.4 27.8 10.3 14.8 64.3 109 137 A F - 0 0 9 -5,-0.5 -34,-0.2 -6,-0.3 -1,-0.2 -0.288 29.2-137.2 -56.1 145.0 7.9 14.6 61.3 110 138 A D S S- 0 0 36 -36,-3.2 46,-2.2 1,-0.1 2,-0.3 0.597 70.5 -48.7 -80.3 -14.0 4.2 14.6 62.3 111 139 A G E -de 75 156A 0 -37,-0.6 -35,-2.3 44,-0.2 2,-0.3 -0.979 64.0 -78.1 170.6-164.2 3.4 11.8 59.9 112 140 A I E -de 76 157A 0 44,-1.9 46,-2.1 -2,-0.3 2,-0.4 -0.933 19.3-149.0-131.9 153.2 3.8 10.5 56.3 113 141 A D E -de 77 158A 0 -37,-2.5 -35,-2.9 -2,-0.3 2,-0.8 -0.982 15.4-141.2-120.4 130.8 2.3 11.2 52.9 114 142 A I E +de 78 159A 0 44,-2.4 46,-2.6 -2,-0.4 -35,-0.1 -0.833 32.0 159.6 -95.9 108.7 2.0 8.5 50.3 115 143 A D E +d 79 0A 20 -37,-2.6 -35,-0.8 -2,-0.8 2,-0.3 -0.349 24.3 144.0-122.9 48.3 2.7 9.9 46.9 116 144 A L + 0 0 6 -37,-0.2 3,-0.1 1,-0.2 -37,-0.1 -0.711 10.4 150.6 -93.3 137.6 3.6 6.7 45.1 117 145 A E > + 0 0 97 -2,-0.3 3,-1.9 1,-0.3 -1,-0.2 0.552 56.5 67.2-124.6 -68.7 2.6 6.0 41.5 118 146 A S T 3 S+ 0 0 73 1,-0.2 -33,-0.5 3,-0.0 -1,-0.3 -0.321 105.9 28.5 -54.7 136.0 5.1 3.7 39.9 119 147 A G T 3 S+ 0 0 12 1,-0.2 2,-0.6 -35,-0.1 -1,-0.2 0.164 92.2 109.4 99.2 -17.4 4.8 0.2 41.4 120 148 A I < + 0 0 2 -3,-1.9 2,-0.3 16,-0.1 -1,-0.2 -0.841 39.2 119.7-101.0 119.8 1.2 0.4 42.5 121 149 A Y - 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0 0 79 -6,-1.8 -1,-0.2 -7,-0.1 -2,-0.1 -0.750 38.4-146.2 -87.2 111.4 -24.6 26.4 46.3 283 311 A P - 0 0 87 0, 0.0 6,-0.1 0, 0.0 -9,-0.0 -0.226 12.2-158.6 -74.3 167.9 -24.7 25.5 42.6 284 312 A F - 0 0 56 -10,-0.0 -10,-0.1 2,-0.0 -67,-0.1 0.118 57.4 -86.0-134.8 18.6 -23.1 27.6 39.9 285 313 A G S S+ 0 0 79 1,-0.2 2,-0.0 3,-0.1 0, 0.0 0.647 81.2 146.5 84.3 15.5 -24.9 26.6 36.7 286 314 A G - 0 0 34 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 -0.246 58.4-119.7 -77.5 171.1 -22.6 23.6 36.1 287 315 A K S S+ 0 0 183 2,-0.0 2,-0.3 -2,-0.0 -1,-0.1 0.782 86.5 89.0 -80.6 -30.3 -23.7 20.3 34.5 288 316 A Y - 0 0 6 1,-0.0 2,-0.6 -78,-0.0 -2,-0.2 -0.530 66.0-148.5 -78.4 133.9 -22.8 18.2 37.5 289 317 A K - 0 0 134 -2,-0.3 4,-0.1 -6,-0.1 -2,-0.0 -0.886 20.8-122.0-103.9 120.0 -25.3 17.6 40.2 290 318 A L - 0 0 3 -2,-0.6 3,-0.1 1,-0.1 -68,-0.1 -0.286 13.9-130.5 -62.0 140.7 -24.0 17.1 43.8 291 319 A S S S+ 0 0 40 1,-0.2 2,-0.6 2,-0.1 -1,-0.1 0.832 98.5 43.4 -62.2 -37.8 -24.9 13.8 45.5 292 320 A N S > S- 0 0 67 1,-0.1 3,-2.0 -14,-0.1 -1,-0.2 -0.948 76.4-151.7-115.3 113.4 -26.1 15.5 48.6 293 321 A Q T 3 S+ 0 0 154 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.824 93.4 50.6 -52.3 -40.8 -28.2 18.6 48.0 294 322 A S T 3 S- 0 0 88 1,-0.2 -1,-0.3 -12,-0.0 2,-0.1 0.529 110.2-124.5 -82.8 -4.5 -27.3 20.4 51.2 295 323 A G < - 0 0 3 -3,-2.0 -1,-0.2 -14,-0.1 -16,-0.2 -0.326 17.6 -81.8 97.3-177.7 -23.5 20.0 50.7 296 324 A Y > + 0 0 28 -18,-3.1 3,-2.1 -19,-0.2 -1,-0.1 -0.735 42.7 177.2-129.0 78.2 -20.6 18.5 52.6 297 325 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.739 75.1 61.7 -61.8 -24.4 -19.6 21.3 55.0 298 326 A A T 3 + 0 0 48 -3,-0.1 -49,-0.2 -19,-0.0 -19,-0.1 0.372 68.5 140.6 -86.5 4.3 -16.9 19.3 56.7 299 327 A F < - 0 0 0 -3,-2.1 -52,-0.2 1,-0.1 -49,-0.1 -0.232 53.0-135.0 -42.0 134.3 -14.9 18.9 53.4 300 328 A R - 0 0 22 -51,-2.2 -293,-3.2 -54,-0.9 2,-0.3 0.719 35.8-109.9 -87.6 -24.9 -11.3 19.3 54.6 301 329 A G E -ai 7 250A 0 -52,-0.7 -50,-1.5 -295,-0.2 2,-0.4 -0.952 40.6 -39.3 138.5-154.8 -9.6 21.7 52.2 302 330 A L E -ai 8 251A 0 -295,-2.1 -293,-2.5 -2,-0.3 2,-0.3 -0.927 30.3-161.4-123.4 141.4 -7.1 22.0 49.4 303 331 A M E -ai 9 252A 0 -52,-2.7 -50,-2.5 -2,-0.4 2,-0.4 -0.834 17.4-160.3-107.6 152.5 -3.7 20.5 48.7 304 332 A S E -ai 10 253A 0 -295,-2.4 -293,-2.3 -2,-0.3 2,-0.8 -0.988 23.4-120.1-139.6 136.7 -1.2 22.0 46.2 305 333 A W E S+ i 0 254A 43 -52,-1.5 -50,-2.5 -2,-0.4 -49,-0.4 -0.947 89.0 18.4 -90.9 104.5 1.8 21.1 44.2 306 334 A S > - 0 0 0 -2,-0.8 4,-2.5 -295,-0.4 -1,-0.2 0.705 28.8-176.7-155.9 173.4 3.5 23.1 45.5 307 335 A I H > S+ 0 0 3 -296,-3.2 4,-2.1 -3,-0.3 -295,-0.2 0.909 109.6 50.0 -54.6 -43.5 4.6 25.7 48.0 308 336 A N H > S+ 0 0 1 -297,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.906 111.1 46.3 -67.3 -43.0 7.6 26.5 45.8 309 337 A W H > S+ 0 0 42 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.883 110.3 55.8 -65.0 -38.4 5.5 27.0 42.7 310 338 A D H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-0.9 0.922 106.0 49.7 -58.5 -46.3 3.0 29.1 44.7 311 339 A A H ><5S+ 0 0 33 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.820 110.3 51.1 -65.0 -30.3 5.8 31.5 45.8 312 340 A K H 3<5S+ 0 0 124 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.626 106.5 57.7 -80.1 -14.0 6.9 31.8 42.1 313 341 A N T X<5S- 0 0 36 -3,-0.9 3,-1.7 -4,-0.8 -1,-0.2 -0.233 126.0 -91.7-111.3 41.6 3.3 32.6 41.1 314 342 A N T < 5 - 0 0 138 -3,-0.7 -3,-0.2 1,-0.3 -2,-0.1 0.765 68.4 -78.2 60.4 26.7 2.7 35.7 43.3 315 343 A F T 3> + 0 0 54 -3,-1.7 4,-2.2 -6,-0.5 5,-0.3 0.923 67.3 43.3 -57.5 -48.6 -1.9 33.3 44.1 317 345 A F H > S+ 0 0 4 -62,-0.3 4,-2.5 2,-0.2 5,-0.4 0.970 117.5 42.0 -63.7 -57.5 -3.0 29.9 45.5 318 346 A S H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.920 118.7 45.2 -61.3 -43.9 -2.1 30.4 49.2 319 347 A N H X S+ 0 0 62 -4,-2.5 4,-1.8 2,-0.2 5,-0.2 0.943 116.0 44.9 -66.8 -46.6 -3.5 34.0 49.3 320 348 A N H X S+ 0 0 50 -4,-2.2 4,-1.9 -5,-0.4 -2,-0.2 0.939 119.5 39.0 -62.6 -47.8 -6.7 33.2 47.4 321 349 A Y H X S+ 0 0 3 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.831 111.9 55.1 -81.3 -29.2 -7.6 30.0 49.2 322 350 A R H X S+ 0 0 25 -4,-2.1 4,-2.9 -5,-0.4 5,-0.2 0.948 111.6 46.6 -62.7 -45.6 -6.6 31.1 52.7 323 351 A T H X S+ 0 0 80 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.917 112.3 51.2 -61.3 -42.9 -8.9 34.1 52.4 324 352 A Y H X S+ 0 0 26 -4,-1.9 4,-0.5 -5,-0.2 3,-0.2 0.958 115.1 40.2 -58.6 -53.8 -11.7 31.9 51.1 325 353 A F H >< S+ 0 0 9 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.906 114.2 53.0 -65.5 -40.5 -11.5 29.4 53.9 326 354 A D H 3< S+ 0 0 109 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.810 107.0 55.0 -61.8 -29.8 -10.9 32.0 56.6 327 355 A G H 3< S+ 0 0 61 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.540 80.3 112.5 -85.5 -8.9 -14.0 33.9 55.3 328 356 A L << - 0 0 29 -3,-1.1 -3,-0.0 -4,-0.5 -4,-0.0 -0.361 44.9-170.7 -62.0 144.2 -16.4 30.9 55.7 329 357 A S - 0 0 94 2,-0.0 -1,-0.1 -2,-0.0 -3,-0.1 -0.444 15.9-177.7-132.2 58.4 -19.0 31.3 58.4 330 358 A L - 0 0 65 -33,-0.1 2,-0.4 1,-0.1 -50,-0.0 -0.296 13.6-151.3 -64.5 139.9 -20.4 27.8 58.4 331 359 A Q 0 0 163 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.962 360.0 360.0-116.3 131.9 -23.3 27.3 60.8 332 360 A K 0 0 201 -2,-0.4 -2,-0.0 -35,-0.0 0, 0.0 -0.600 360.0 360.0 141.9 360.0 -23.7 23.8 62.2