==== 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 3N15 . 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 . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.2 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 . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 25.2 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 1 1 0 0 0 0 1 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 3 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 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 31 A L 0 0 92 0, 0.0 4,-0.1 0, 0.0 69,-0.1 0.000 360.0 360.0 360.0 124.9 -8.2 -6.1 -16.0 2 32 A G - 0 0 42 1,-0.1 3,-0.2 2,-0.1 28,-0.0 -0.025 360.0-122.2 -60.3 165.5 -10.9 -3.7 -17.1 3 33 A S S S+ 0 0 87 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.658 103.8 40.1 -88.8 -18.7 -10.2 -0.4 -18.9 4 34 A K S S- 0 0 30 2,-0.0 2,-0.3 295,-0.0 295,-0.3 -0.916 85.2-171.2-130.6 106.3 -11.9 1.8 -16.3 5 35 A L E -a 299 0A 0 293,-3.3 295,-2.1 -2,-0.4 2,-0.5 -0.667 27.7-153.3-106.0 151.4 -11.1 0.7 -12.8 6 36 A L E -a 300 0A 0 -2,-0.3 24,-2.5 293,-0.2 25,-1.6 -0.991 21.0-169.9-112.7 118.2 -12.2 1.4 -9.3 7 37 A V E -ab 301 31A 0 293,-2.4 295,-2.2 -2,-0.5 2,-0.4 -0.943 5.6-170.2-111.6 122.6 -9.3 0.6 -6.9 8 38 A G E -ab 302 32A 0 23,-2.7 25,-2.6 -2,-0.5 2,-0.3 -0.958 19.8-132.6-123.0 131.7 -10.2 0.6 -3.2 9 39 A Y E - b 0 33A 2 293,-2.2 296,-2.9 -2,-0.4 297,-0.6 -0.619 21.9-150.4 -77.4 139.8 -7.9 0.4 -0.2 10 40 A W E - b 0 34A 0 23,-3.2 25,-2.7 -2,-0.3 2,-0.5 -0.963 14.0-125.5-119.8 123.3 -9.2 -2.1 2.4 11 41 A H E - b 0 35A 0 -2,-0.5 2,-0.8 23,-0.2 9,-0.3 -0.559 14.6-167.1 -75.1 115.2 -8.4 -1.5 6.1 12 42 A N S S+ 0 0 23 23,-2.9 2,-0.3 -2,-0.5 -1,-0.1 -0.298 79.1 46.0 -86.9 49.0 -6.7 -4.5 7.8 13 43 A F S S- 0 0 60 -2,-0.8 2,-0.7 5,-0.2 -2,-0.1 -0.953 89.3-107.1-177.0 158.8 -7.5 -2.7 11.0 14 44 A D + 0 0 97 -2,-0.3 5,-0.1 1,-0.1 -2,-0.0 -0.922 33.5 166.8-107.0 111.0 -10.4 -0.9 12.7 15 45 A N S S- 0 0 76 -2,-0.7 -1,-0.1 3,-0.3 4,-0.0 0.130 78.0 -76.0-104.3 19.7 -9.8 2.9 12.8 16 46 A G S S+ 0 0 55 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.164 125.2 86.8 105.1 -16.6 -13.4 3.5 13.8 17 47 A T S S- 0 0 21 1,-0.2 -3,-0.1 0, 0.0 -6,-0.0 0.525 93.8-128.4 -88.0 -8.2 -14.9 2.9 10.3 18 48 A G - 0 0 21 2,-0.0 2,-0.4 292,-0.0 -3,-0.3 -0.056 21.8 -68.8 88.3 170.4 -15.1 -0.8 11.1 19 49 A I - 0 0 70 -5,-0.1 2,-0.6 -3,-0.1 -7,-0.1 -0.853 34.3-159.7-103.0 133.9 -14.0 -3.9 9.4 20 50 A I - 0 0 28 -2,-0.4 5,-0.1 -9,-0.3 286,-0.1 -0.958 22.0-130.5-111.2 113.6 -15.5 -5.2 6.2 21 51 A K > - 0 0 115 -2,-0.6 3,-2.7 1,-0.1 4,-0.4 -0.342 28.4-109.4 -61.0 146.9 -14.9 -8.9 5.7 22 52 A L G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.838 117.2 52.4 -50.0 -45.1 -13.6 -9.5 2.1 23 53 A K G 3 S+ 0 0 111 1,-0.3 -1,-0.3 4,-0.0 -2,-0.1 0.600 105.0 58.5 -69.4 -9.3 -16.8 -11.2 0.8 24 54 A D G < S+ 0 0 116 -3,-2.7 2,-0.3 2,-0.1 -1,-0.3 0.413 78.2 114.7 -99.4 2.0 -18.8 -8.2 2.0 25 55 A V S < S- 0 0 12 -3,-1.7 281,-0.0 -4,-0.4 -15,-0.0 -0.539 81.4-101.2 -69.4 131.5 -16.8 -5.7 -0.1 26 56 A S > - 0 0 20 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 -0.273 22.0-132.7 -50.3 132.9 -19.0 -4.1 -2.7 27 57 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.580 95.6 86.5 -67.4 -6.2 -18.5 -5.8 -6.1 28 58 A K T 3 S+ 0 0 65 2,-0.0 2,-0.4 0, 0.0 -22,-0.2 0.754 73.2 85.4 -62.6 -24.5 -18.2 -2.2 -7.6 29 59 A W < - 0 0 3 -3,-1.6 -22,-0.2 1,-0.2 3,-0.1 -0.660 59.2-170.8 -79.8 133.9 -14.5 -2.4 -6.7 30 60 A D S S+ 0 0 35 -24,-2.5 41,-2.1 -2,-0.4 2,-0.4 0.771 74.7 30.5 -90.0 -31.9 -12.3 -4.0 -9.3 31 61 A V E -bc 7 71A 0 -25,-1.6 -23,-2.7 39,-0.2 2,-0.6 -0.996 66.9-154.5-135.8 134.2 -9.2 -4.1 -7.2 32 62 A I E -bc 8 72A 3 39,-2.9 41,-3.4 -2,-0.4 2,-0.9 -0.950 5.4-157.9-114.8 114.7 -8.8 -4.4 -3.4 33 63 A N E -bc 9 73A 0 -25,-2.6 -23,-3.2 -2,-0.6 2,-0.3 -0.812 15.5-144.9 -94.3 100.3 -5.6 -3.1 -1.8 34 64 A V E -bc 10 74A 0 39,-3.2 41,-2.8 -2,-0.9 2,-0.5 -0.524 28.0-114.3 -72.8 126.4 -5.2 -4.8 1.5 35 65 A S E -bc 11 75A 0 -25,-2.7 -23,-2.9 -2,-0.3 41,-0.1 -0.927 66.6 -0.8-123.4 115.9 -3.7 -2.3 3.9 36 66 A F E - 0 0 18 39,-0.7 2,-0.4 -2,-0.5 40,-0.2 0.631 30.2-175.3-144.3 157.8 -1.0 -2.7 5.0 37 67 A G E + c 0 76A 0 38,-3.4 40,-1.9 -3,-0.3 2,-0.3 -0.710 40.2 179.9 -72.9 137.1 2.1 -5.0 5.1 38 68 A E E -J 47 0B 81 9,-2.3 9,-3.6 -2,-0.4 2,-0.3 -0.854 20.0-120.2-136.0 174.1 4.4 -3.4 7.7 39 69 A T E -J 46 0B 16 -2,-0.3 7,-0.2 7,-0.2 43,-0.1 -0.796 10.5-150.1-116.5 159.1 7.8 -4.0 9.2 40 70 A G > - 0 0 30 5,-0.7 3,-2.3 -2,-0.3 -1,-0.1 -0.011 64.0 -40.2 -97.8-148.6 9.2 -4.6 12.7 41 71 A G T 3 S+ 0 0 81 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.775 132.7 56.1 -50.8 -39.3 12.6 -3.6 14.1 42 72 A D T 3 S- 0 0 71 3,-0.1 -1,-0.3 1,-0.1 42,-0.1 0.520 92.0-144.9 -78.4 -2.4 14.7 -4.5 11.0 43 73 A R S < S+ 0 0 97 -3,-2.3 41,-3.1 1,-0.2 -2,-0.1 0.688 84.8 68.3 50.9 21.4 12.5 -2.2 8.9 44 74 A S S S+ 0 0 0 39,-0.2 2,-0.8 1,-0.2 53,-0.2 0.569 70.1 82.7-140.7 -27.8 12.9 -4.6 6.0 45 75 A T S S- 0 0 37 52,-0.1 -5,-0.7 51,-0.1 2,-0.2 -0.790 73.7-141.7 -86.7 111.9 11.0 -7.8 6.7 46 76 A V E -J 39 0B 4 -2,-0.8 2,-0.3 47,-0.4 -7,-0.2 -0.553 18.7-165.6 -80.1 140.6 7.4 -7.2 5.8 47 77 A E E +J 38 0B 122 -9,-3.6 -9,-2.3 -2,-0.2 2,-0.3 -0.935 11.6 172.8-126.4 146.6 4.8 -8.7 8.0 48 78 A F + 0 0 18 -2,-0.3 -11,-0.1 -11,-0.2 -2,-0.0 -0.939 7.9 172.6-155.9 133.3 1.1 -9.2 7.6 49 79 A S - 0 0 80 -2,-0.3 -2,-0.0 -37,-0.1 6,-0.0 -0.989 40.4-108.3-137.1 129.2 -1.7 -11.0 9.5 50 80 A P - 0 0 13 0, 0.0 -38,-0.1 0, 0.0 8,-0.0 -0.251 17.3-135.1 -59.5 142.2 -5.4 -10.7 8.6 51 81 A V S S+ 0 0 54 1,-0.1 2,-0.3 -40,-0.1 -39,-0.1 0.715 90.4 22.4 -73.0 -21.9 -7.5 -8.6 11.0 52 82 A Y S S+ 0 0 33 2,-0.1 -1,-0.1 3,-0.0 6,-0.1 -0.965 104.4 28.9-137.6 159.3 -10.2 -11.3 10.9 53 83 A G S S- 0 0 39 -2,-0.3 2,-0.1 4,-0.1 -1,-0.0 0.257 86.0 -71.8 82.5 154.1 -10.2 -15.1 10.1 54 84 A T > - 0 0 82 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.333 56.1-101.0 -66.4 165.2 -7.7 -17.8 10.3 55 85 A D H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 127.5 50.4 -57.8 -39.2 -4.9 -17.5 7.7 56 86 A A H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 107.5 52.6 -67.6 -38.5 -6.7 -20.2 5.7 57 87 A D H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 111.6 46.7 -58.9 -44.8 -10.1 -18.4 5.9 58 88 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.930 111.9 49.3 -68.7 -45.6 -8.5 -15.2 4.6 59 89 A K H X S+ 0 0 93 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.902 111.8 50.8 -56.5 -41.8 -6.7 -17.0 1.8 60 90 A S H X S+ 0 0 68 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.899 108.1 51.2 -65.6 -40.5 -10.0 -18.7 1.0 61 91 A D H X S+ 0 0 19 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.892 110.1 50.7 -62.5 -38.8 -11.8 -15.3 0.9 62 92 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.918 108.9 50.7 -64.3 -41.7 -9.1 -14.0 -1.5 63 93 A S H X S+ 0 0 52 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.898 108.5 53.4 -62.2 -40.6 -9.6 -17.0 -3.7 64 94 A Y H X S+ 0 0 100 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.935 109.9 46.1 -59.2 -49.8 -13.3 -16.4 -3.8 65 95 A L H ><>S+ 0 0 13 -4,-2.1 5,-2.1 1,-0.2 3,-1.2 0.908 111.0 52.7 -61.3 -43.0 -12.9 -12.8 -4.9 66 96 A K H ><5S+ 0 0 75 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.853 104.1 57.0 -60.5 -34.7 -10.3 -13.8 -7.5 67 97 A S H 3<5S+ 0 0 83 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.679 103.8 55.0 -69.3 -18.0 -12.9 -16.3 -8.8 68 98 A K T <<5S- 0 0 124 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.362 126.8 -99.9 -95.0 2.9 -15.3 -13.3 -9.3 69 99 A G T < 5S+ 0 0 53 -3,-1.4 -3,-0.2 1,-0.3 2,-0.1 0.404 80.9 132.8 94.9 -1.5 -12.8 -11.5 -11.4 70 100 A K < - 0 0 38 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.3 -0.454 50.5-134.5 -83.0 154.9 -11.5 -9.2 -8.6 71 101 A K E -c 31 0A 40 -41,-2.1 -39,-2.9 -2,-0.1 2,-0.5 -0.898 11.2-159.6-107.0 138.2 -7.8 -8.5 -7.9 72 102 A V E -c 32 0A 0 -2,-0.4 36,-3.4 -41,-0.2 37,-0.6 -0.971 16.3-173.5-121.6 117.3 -6.6 -8.6 -4.3 73 103 A V E -cd 33 109A 0 -41,-3.4 -39,-3.2 -2,-0.5 2,-0.7 -0.813 23.6-128.2-118.1 141.0 -3.4 -6.7 -3.8 74 104 A L E -cd 34 110A 0 35,-2.5 37,-2.4 -2,-0.3 2,-0.4 -0.828 23.9-150.4 -91.0 118.7 -1.1 -6.4 -0.8 75 105 A S E -cd 35 111A 0 -41,-2.8 -38,-3.4 -2,-0.7 -39,-0.7 -0.754 5.3-154.2 -90.7 131.6 -0.3 -2.8 -0.0 76 106 A I E -cd 37 112A 1 35,-2.8 37,-2.4 -2,-0.4 2,-0.6 -0.901 59.9 -4.8-108.5 118.9 3.1 -2.0 1.6 77 107 A G E + d 0 113A 1 -40,-1.9 4,-0.3 -2,-0.6 3,-0.3 -0.889 59.7 167.0 120.0-105.7 3.4 1.1 3.8 78 108 A G E > - d 0 114A 1 35,-2.7 3,-1.1 -2,-0.6 37,-0.5 -0.289 67.8 -31.2 45.6-171.2 0.7 3.7 4.3 79 109 A Q T 3 S+ 0 0 151 1,-0.3 -1,-0.2 35,-0.1 36,-0.0 0.818 142.5 25.0 -55.6 -41.2 0.7 6.3 6.8 80 110 A N T 3 S+ 0 0 126 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.2 0.412 93.8 115.5-101.4 -3.6 2.6 4.6 9.6 81 111 A G < - 0 0 3 -3,-1.1 2,-0.4 -4,-0.3 34,-0.4 -0.441 43.0-166.2 -76.8 143.4 4.6 2.0 7.5 82 112 A V + 0 0 31 -2,-0.1 2,-0.4 -43,-0.1 -43,-0.2 -0.974 10.9 173.3-133.5 120.5 8.4 2.2 7.4 83 113 A V - 0 0 2 -2,-0.4 2,-0.5 33,-0.4 -39,-0.2 -0.989 5.6-177.7-125.3 123.8 10.6 0.3 4.9 84 114 A L + 0 0 70 -41,-3.1 3,-0.1 -2,-0.4 34,-0.1 -0.982 9.9 177.8-124.3 123.5 14.3 1.0 4.8 85 115 A L + 0 0 0 -2,-0.5 52,-0.3 1,-0.1 53,-0.1 -0.617 16.2 155.9-122.7 71.3 16.6 -0.8 2.3 86 116 A P + 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.695 68.5 5.7 -70.1 -20.0 20.0 0.7 2.9 87 117 A D S > S- 0 0 79 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.908 86.5 -84.7-154.3 177.6 21.9 -2.3 1.5 88 118 A N H > S+ 0 0 88 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.872 119.4 57.5 -60.3 -40.4 21.5 -5.6 -0.3 89 119 A A H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.929 110.1 44.3 -58.9 -44.8 20.8 -7.6 2.8 90 120 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 111.2 54.8 -65.1 -41.0 17.8 -5.5 3.7 91 121 A K H X S+ 0 0 24 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.890 108.3 49.0 -58.9 -41.0 16.6 -5.6 0.0 92 122 A D H X S+ 0 0 65 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.875 108.5 51.9 -70.1 -38.4 16.7 -9.4 0.1 93 123 A R H X S+ 0 0 97 -4,-1.9 4,-2.1 -5,-0.2 -47,-0.4 0.886 111.6 49.2 -61.0 -38.8 14.7 -9.6 3.4 94 124 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.941 113.0 45.9 -65.6 -49.3 12.2 -7.3 1.8 95 125 A I H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.921 116.3 44.3 -58.6 -48.6 11.9 -9.4 -1.4 96 126 A N H X S+ 0 0 92 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.884 112.0 50.7 -70.9 -38.6 11.7 -12.7 0.4 97 127 A S H X S+ 0 0 14 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.879 113.4 46.6 -67.5 -37.2 9.2 -11.6 3.1 98 128 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.922 111.6 49.7 -71.5 -46.1 6.9 -10.2 0.4 99 129 A Q H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.899 109.9 52.8 -56.5 -41.1 7.1 -13.2 -1.9 100 130 A S H X S+ 0 0 75 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.893 109.8 48.2 -62.9 -38.8 6.3 -15.4 1.1 101 131 A L H X S+ 0 0 17 -4,-1.5 4,-2.1 2,-0.2 6,-0.3 0.904 111.6 48.7 -69.7 -41.6 3.2 -13.4 1.9 102 132 A I H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 5,-0.5 0.902 114.0 47.5 -61.2 -43.6 2.0 -13.5 -1.7 103 133 A D H < S+ 0 0 97 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.892 113.0 50.0 -62.8 -40.6 2.6 -17.2 -1.7 104 134 A K H < S+ 0 0 103 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.851 125.8 21.6 -70.2 -37.4 0.8 -17.6 1.7 105 135 A Y H < S- 0 0 3 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.528 99.5-119.0-112.5 -9.9 -2.4 -15.7 0.9 106 136 A G < - 0 0 18 -4,-2.0 -34,-0.2 -5,-0.3 -3,-0.2 0.782 41.1-174.9 74.5 28.8 -2.5 -15.7 -2.9 107 137 A F - 0 0 8 -5,-0.5 -34,-0.2 -6,-0.3 -1,-0.2 -0.292 24.4-140.2 -55.5 142.2 -2.3 -12.0 -3.4 108 138 A D S S- 0 0 31 -36,-3.4 46,-2.4 1,-0.1 2,-0.3 0.508 70.4 -34.9 -80.0 -13.6 -2.7 -10.9 -7.1 109 139 A G E -de 73 154A 0 -37,-0.6 -35,-2.5 44,-0.3 2,-0.3 -0.978 64.0 -90.6 175.2-175.7 -0.1 -8.2 -6.8 110 140 A I E -de 74 155A 0 44,-2.2 46,-2.1 -2,-0.3 2,-0.4 -0.938 17.7-152.4-127.6 151.3 1.6 -5.5 -4.7 111 141 A D E -de 75 156A 0 -37,-2.4 -35,-2.8 -2,-0.3 2,-0.8 -0.989 14.1-143.3-119.9 128.4 0.9 -1.8 -4.1 112 142 A I E +de 76 157A 1 44,-2.5 46,-2.5 -2,-0.4 -35,-0.1 -0.833 31.4 159.6 -94.8 109.1 3.8 0.4 -3.1 113 143 A D E +d 77 0A 5 -37,-2.4 -35,-2.7 -2,-0.8 2,-0.5 -0.407 11.7 156.5-124.1 56.6 2.5 3.0 -0.7 114 144 A L E +d 78 0A 1 -37,-0.2 -37,-0.1 1,-0.1 -35,-0.1 -0.736 10.0 169.5 -90.1 124.2 5.7 4.1 1.0 115 145 A Q + 0 0 39 -2,-0.5 2,-0.3 -37,-0.5 -1,-0.1 0.176 59.3 42.1-122.6 14.0 5.4 7.6 2.5 116 146 A S S S+ 0 0 48 -33,-0.1 -33,-0.4 -35,-0.1 3,-0.1 -0.966 96.5 37.1-155.9 158.0 8.5 7.9 4.6 117 147 A G S S+ 0 0 14 -2,-0.3 2,-0.6 1,-0.2 17,-0.1 0.534 82.2 118.7 74.2 7.3 12.2 7.0 4.3 118 148 A I + 0 0 0 -34,-0.1 2,-0.3 16,-0.1 -1,-0.2 -0.918 31.3 144.3-113.0 110.3 12.2 8.0 0.6 119 149 A Y - 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0 0 77 -6,-1.6 -1,-0.2 -7,-0.1 -2,-0.1 -0.847 37.4-149.0 -96.3 110.2 -14.8 17.9 -22.8 281 311 A P - 0 0 84 0, 0.0 6,-0.1 0, 0.0 -9,-0.0 -0.122 16.4-156.0 -78.0 171.1 -14.0 21.1 -20.8 282 312 A F - 0 0 55 -10,-0.0 -10,-0.1 -8,-0.0 -11,-0.1 0.084 59.0 -86.7-136.2 21.8 -16.0 22.6 -18.0 283 313 A G S S+ 0 0 81 1,-0.2 2,-0.0 3,-0.1 0, 0.0 0.745 79.8 152.8 77.9 24.1 -14.9 26.3 -18.1 284 314 A G - 0 0 34 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.255 54.5-122.2 -81.5 172.6 -12.0 25.6 -15.9 285 315 A K S S+ 0 0 108 -2,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.797 87.9 83.4 -86.4 -30.4 -8.7 27.5 -15.8 286 316 A Y - 0 0 8 1,-0.0 2,-0.6 -81,-0.0 -2,-0.2 -0.586 69.1-148.2 -79.9 134.5 -6.5 24.6 -16.5 287 317 A K - 0 0 144 -2,-0.3 4,-0.1 -6,-0.1 -2,-0.0 -0.903 18.1-124.6-106.2 121.0 -6.0 23.7 -20.2 288 318 A L - 0 0 4 -2,-0.6 3,-0.2 1,-0.1 -68,-0.1 -0.318 12.5-130.6 -64.2 142.3 -5.5 20.0 -20.9 289 319 A S S S+ 0 0 47 1,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.794 105.2 38.2 -64.7 -32.4 -2.3 19.2 -22.9 290 320 A N S > S- 0 0 63 1,-0.1 3,-2.2 -14,-0.1 -1,-0.3 -0.930 76.9-164.2-119.7 102.2 -4.3 17.1 -25.3 291 321 A Q T 3 S+ 0 0 88 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.577 86.9 56.7 -73.1 -7.8 -7.6 18.9 -25.8 292 322 A S T 3 S- 0 0 91 1,-0.3 -1,-0.3 -12,-0.1 -12,-0.1 0.244 112.3-123.5 -99.6 10.3 -9.4 15.8 -27.3 293 323 A G < - 0 0 5 -3,-2.2 -1,-0.3 1,-0.1 -16,-0.2 -0.043 12.4 -82.1 89.9 177.5 -8.5 13.8 -24.2 294 324 A Y > - 0 0 22 -18,-2.9 3,-2.2 1,-0.1 -1,-0.1 -0.825 39.5-174.4-126.6 82.3 -6.8 10.6 -23.1 295 325 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.798 78.6 58.9 -54.7 -32.4 -9.4 8.0 -23.6 296 326 A A T 3 + 0 0 48 -3,-0.1 -49,-0.2 -292,-0.0 -19,-0.1 0.363 68.7 143.0 -86.1 6.6 -7.4 5.2 -22.0 297 327 A F < - 0 0 0 -3,-2.2 -52,-0.2 1,-0.1 -49,-0.1 -0.221 51.3-134.8 -45.5 131.8 -7.1 7.0 -18.7 298 328 A R - 0 0 26 -51,-2.1 -293,-3.3 -54,-1.0 2,-0.3 0.728 35.5-111.5 -81.2 -26.1 -7.3 4.0 -16.2 299 329 A G E -ai 5 248A 0 -52,-0.6 -50,-1.7 -295,-0.3 2,-0.4 -0.960 41.0 -41.7 136.6-152.8 -9.8 5.2 -13.5 300 330 A L E -ai 6 249A 0 -295,-2.1 -293,-2.4 -2,-0.3 2,-0.3 -0.940 30.3-160.0-126.3 141.1 -9.9 6.1 -9.9 301 331 A M E -ai 7 250A 0 -52,-2.8 -50,-2.2 -2,-0.4 2,-0.4 -0.791 19.0-160.9-105.1 155.5 -8.4 4.8 -6.7 302 332 A S E -ai 8 251A 0 -295,-2.2 -293,-2.2 -2,-0.3 2,-0.7 -0.990 23.4-119.1-141.5 138.7 -9.8 5.7 -3.2 303 333 A W E S+ i 0 252A 39 -52,-1.5 -50,-2.4 -2,-0.4 -49,-0.4 -0.956 88.6 21.6 -95.0 105.3 -8.9 5.7 0.4 304 334 A S > + 0 0 0 -2,-0.7 4,-2.6 -295,-0.4 -1,-0.2 0.680 27.7 179.6-156.3 172.9 -11.0 3.8 1.1 305 335 A I H > S+ 0 0 3 -296,-2.9 4,-2.5 -3,-0.3 -295,-0.2 0.910 110.2 49.3 -54.0 -45.4 -13.5 0.9 0.8 306 336 A N H > S+ 0 0 1 -297,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.896 111.7 46.7 -65.0 -42.5 -14.2 1.3 4.5 307 337 A W H > S+ 0 0 42 2,-0.2 4,-0.6 1,-0.2 3,-0.3 0.909 111.2 53.5 -64.5 -40.8 -14.7 5.0 4.3 308 338 A D H ><>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-1.7 0.941 104.9 53.3 -58.0 -50.6 -16.9 4.6 1.2 309 339 A A H 3<5S+ 0 0 33 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.803 109.9 49.6 -55.3 -29.9 -19.2 2.1 3.1 310 340 A K H 3<5S+ 0 0 122 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.570 105.7 58.9 -85.7 -11.4 -19.6 4.7 5.8 311 341 A N T X<5S- 0 0 37 -3,-1.7 3,-2.1 -4,-0.6 -1,-0.2 -0.312 125.8 -87.7-116.0 47.1 -20.5 7.5 3.4 312 342 A N T 3 5S- 0 0 142 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.751 71.3 -79.6 59.9 24.2 -23.5 6.0 1.6 313 343 A F T 3> + 0 0 51 -3,-2.1 4,-2.3 -6,-0.4 5,-0.3 0.907 65.8 44.5 -53.5 -49.6 -21.0 7.7 -2.6 315 345 A F H > S+ 0 0 5 -62,-0.4 4,-2.2 2,-0.2 5,-0.4 0.960 117.6 41.0 -64.2 -53.0 -17.6 7.0 -4.2 316 346 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.928 119.6 44.0 -67.0 -43.6 -18.2 3.5 -5.5 317 347 A N H X S+ 0 0 67 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.926 116.2 45.7 -66.4 -46.1 -21.8 4.1 -6.7 318 348 A N H X S+ 0 0 48 -4,-2.3 4,-1.7 -5,-0.4 -2,-0.2 0.911 119.4 38.4 -63.9 -44.7 -21.1 7.4 -8.4 319 349 A Y H X S+ 0 0 3 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.807 112.5 54.7 -84.7 -29.1 -18.0 6.4 -10.2 320 350 A R H X S+ 0 0 25 -4,-1.9 4,-3.1 -5,-0.4 5,-0.3 0.944 112.7 44.9 -63.3 -46.8 -19.0 2.9 -11.2 321 351 A T H X S+ 0 0 81 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.900 114.2 50.2 -63.9 -38.9 -22.1 4.3 -12.8 322 352 A Y H X S+ 0 0 24 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.961 115.2 41.3 -62.5 -52.3 -20.1 7.1 -14.4 323 353 A F H >< S+ 0 0 9 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.920 116.5 48.7 -63.8 -44.6 -17.5 4.7 -15.8 324 354 A D H 3< S+ 0 0 111 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.861 108.0 58.1 -59.1 -35.3 -20.1 2.1 -16.9 325 355 A G H 3< 0 0 66 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.622 360.0 360.0 -72.6 -13.9 -22.0 5.0 -18.5 326 356 A L << 0 0 85 -3,-1.1 -3,-0.0 -4,-0.6 -4,-0.0 -0.391 360.0 360.0 -60.7 360.0 -19.1 5.9 -20.8