==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAY-05 1ZP5 . COMPND 2 MOLECULE: NEUTROPHIL COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.CAMPESTRE,M.AGAMENNONE,P.TORTORELLA,S.PREZIUSO,A.BIASONE, . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.7 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 . 0 0.0 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 . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 80 A M 0 0 79 0, 0.0 126,-1.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 -48.5 0.1 33.3 -0.6 2 81 A L B -A 126 0A 78 124,-0.2 124,-0.2 126,-0.1 3,-0.1 -0.826 360.0-120.9 -96.5 111.3 2.1 36.3 0.7 3 82 A T > - 0 0 11 122,-1.0 3,-2.5 -2,-0.7 2,-0.2 -0.214 38.8 -99.8 -49.2 131.2 1.9 36.6 4.5 4 83 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 121,-0.0 -0.378 114.3 33.2 -59.3 120.2 0.3 40.0 5.2 5 84 A G T 3 S- 0 0 64 -2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.213 107.1-113.7 115.5 -10.0 3.2 42.3 6.1 6 85 A N < - 0 0 116 -3,-2.5 2,-0.2 1,-0.2 -1,-0.1 0.853 49.1-174.4 49.8 40.1 5.6 40.6 3.7 7 86 A P + 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.444 10.9 160.5 -68.7 135.7 7.7 39.4 6.7 8 87 A K - 0 0 79 -2,-0.2 2,-0.1 -3,-0.1 117,-0.1 -0.975 40.2 -96.4-151.6 162.8 10.9 37.7 5.7 9 88 A W - 0 0 29 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.489 16.4-157.3 -80.5 152.8 14.3 36.6 7.0 10 89 A E S S+ 0 0 156 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.646 77.8 70.5-101.5 -22.9 17.4 38.8 6.3 11 90 A R - 0 0 119 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 -0.723 64.4-159.4 -93.4 146.3 19.8 35.9 6.8 12 91 A T S S+ 0 0 80 -2,-0.3 36,-3.6 1,-0.2 2,-0.8 0.687 81.8 64.0 -95.5 -25.4 19.9 33.2 4.1 13 92 A N E S-b 48 0B 74 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.882 72.7-178.7-103.8 104.0 21.6 30.6 6.3 14 93 A L E -b 49 0B 0 34,-2.3 36,-3.0 -2,-0.8 2,-0.3 -0.832 17.5-140.1-107.3 142.2 19.2 29.8 9.1 15 94 A T E -b 50 0B 29 -2,-0.4 44,-2.2 34,-0.2 2,-0.3 -0.676 18.6-172.3 -96.3 153.3 19.7 27.4 12.0 16 95 A Y E -bc 51 59B 7 34,-2.1 36,-2.3 -2,-0.3 2,-0.4 -0.969 6.6-162.6-141.8 156.2 17.1 25.1 13.3 17 96 A R E - c 0 60B 27 42,-2.1 44,-3.0 -2,-0.3 2,-1.0 -0.978 19.6-139.8-145.4 130.1 16.9 22.8 16.3 18 97 A I E - c 0 61B 7 34,-0.4 44,-0.2 -2,-0.4 42,-0.1 -0.802 22.9-171.0 -87.4 105.6 14.6 19.9 17.1 19 98 A R - 0 0 98 42,-3.3 2,-0.3 -2,-1.0 43,-0.2 0.836 61.5 -14.6 -69.8 -36.0 14.1 20.6 20.8 20 99 A N - 0 0 51 41,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.890 68.0-120.0-153.9-176.6 12.2 17.4 21.5 21 100 A Y - 0 0 68 -2,-0.3 6,-0.1 42,-0.1 42,-0.1 -0.833 18.4-110.3-134.1 170.4 10.5 14.5 19.9 22 101 A T > - 0 0 3 -2,-0.3 3,-1.9 4,-0.1 8,-0.1 -0.857 25.1-134.5 -99.5 131.7 7.2 12.6 19.6 23 102 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.761 100.1 71.0 -55.8 -26.1 7.1 9.1 21.1 24 103 A Q T 3 S+ 0 0 93 77,-0.2 2,-0.3 2,-0.0 78,-0.0 0.629 103.1 40.1 -68.8 -14.7 5.4 7.8 18.0 25 104 A L S < S- 0 0 15 -3,-1.9 2,-0.1 79,-0.1 -3,-0.1 -0.960 86.6-111.8-134.4 152.4 8.6 8.2 15.9 26 105 A S > - 0 0 57 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.415 39.6-107.9 -74.2 159.5 12.2 7.5 16.5 27 106 A E H > S+ 0 0 127 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.827 120.5 59.7 -58.2 -28.6 14.3 10.7 16.6 28 107 A A H > S+ 0 0 65 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.934 103.1 46.7 -64.6 -50.6 15.7 9.5 13.2 29 108 A E H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.835 116.5 46.2 -61.9 -34.1 12.3 9.5 11.4 30 109 A V H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.926 113.1 50.0 -72.2 -45.5 11.6 12.9 12.9 31 110 A E H X S+ 0 0 27 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.916 113.5 46.0 -55.6 -50.0 15.0 14.1 12.0 32 111 A R H X S+ 0 0 116 -4,-3.4 4,-2.6 2,-0.2 5,-0.2 0.912 112.3 48.9 -61.5 -47.1 14.6 12.9 8.5 33 112 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.909 114.4 47.1 -62.9 -41.0 11.1 14.3 8.1 34 113 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.907 112.7 47.3 -67.3 -45.3 12.3 17.7 9.4 35 114 A K H X S+ 0 0 70 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.935 112.7 49.1 -62.7 -46.4 15.4 17.9 7.2 36 115 A D H X S+ 0 0 72 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.859 108.4 55.7 -61.7 -34.2 13.6 16.9 4.1 37 116 A A H X S+ 0 0 0 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.2 0.911 109.9 43.8 -64.9 -44.1 10.9 19.5 4.9 38 117 A F H >X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 3,-0.6 0.902 109.7 58.0 -66.9 -38.7 13.5 22.3 5.0 39 118 A E H 3X S+ 0 0 108 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.854 96.8 62.1 -59.2 -36.1 15.1 20.9 1.9 40 119 A L H 3< S+ 0 0 15 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.890 112.7 36.9 -56.5 -40.7 11.8 21.3 0.0 41 120 A W H X< S+ 0 0 0 -4,-0.9 3,-1.5 -3,-0.6 4,-0.3 0.864 112.0 57.2 -81.0 -38.1 12.1 25.0 0.6 42 121 A S H >< S+ 0 0 23 -4,-2.7 3,-0.8 1,-0.3 -2,-0.2 0.837 102.0 56.8 -63.7 -30.3 15.9 25.3 0.2 43 122 A V T 3< S+ 0 0 100 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.578 113.4 41.0 -77.7 -5.1 15.7 23.9 -3.3 44 123 A A T < S+ 0 0 14 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.255 121.4 33.2-122.3 7.9 13.3 26.6 -4.3 45 124 A S S < S- 0 0 17 -3,-0.8 114,-0.1 -4,-0.3 118,-0.0 -0.892 86.0-101.8-151.1 177.2 14.9 29.6 -2.5 46 125 A P S S+ 0 0 65 0, 0.0 -4,-0.1 0, 0.0 -34,-0.0 0.565 81.0 119.8 -83.6 -7.1 18.3 31.0 -1.5 47 126 A L - 0 0 4 -6,-0.2 2,-0.5 -34,-0.1 -2,-0.2 -0.295 46.2-164.0 -64.9 138.3 17.7 29.8 2.1 48 127 A I E -b 13 0B 99 -36,-3.6 -34,-2.3 -5,-0.0 2,-0.5 -0.991 8.7-149.6-124.0 125.9 20.1 27.3 3.6 49 128 A F E -b 14 0B 30 -2,-0.5 2,-0.5 -36,-0.2 -34,-0.2 -0.857 10.6-169.4-104.7 126.5 19.1 25.4 6.7 50 129 A T E -b 15 0B 57 -36,-3.0 -34,-2.1 -2,-0.5 2,-0.3 -0.952 14.1-138.9-118.4 126.5 21.6 24.3 9.3 51 130 A R E -b 16 0B 83 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.611 16.2-172.9 -84.9 137.8 20.8 21.9 12.1 52 131 A I - 0 0 40 -36,-2.3 -34,-0.4 -2,-0.3 3,-0.1 -0.910 17.5-147.4-123.4 152.9 22.2 22.5 15.6 53 132 A S S S+ 0 0 67 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.666 76.9 8.2 -97.5 -18.3 21.8 19.9 18.4 54 133 A Q S S+ 0 0 153 2,-0.1 -1,-0.2 -37,-0.0 2,-0.1 -0.941 98.1 46.2-152.3 167.1 21.6 22.2 21.4 55 134 A G S S- 0 0 42 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.353 94.3 -37.4 90.9-174.0 21.4 25.9 22.1 56 135 A E - 0 0 125 -2,-0.1 2,-0.3 4,-0.0 -2,-0.1 -0.767 57.9-174.5 -94.7 131.9 19.2 28.6 20.5 57 136 A A - 0 0 3 -2,-0.4 3,-0.2 -40,-0.1 -41,-0.2 -0.753 38.4-114.3-118.9 166.2 18.4 28.4 16.8 58 137 A D S S+ 0 0 39 1,-0.3 2,-0.5 -2,-0.3 -42,-0.2 0.865 111.9 36.4 -66.9 -36.0 16.6 30.7 14.4 59 138 A I E S-c 16 0B 0 -44,-2.2 -42,-2.1 35,-0.1 2,-0.4 -0.900 75.5-166.6-125.3 106.0 14.0 28.0 14.0 60 139 A N E -c 17 0B 8 -2,-0.5 35,-2.9 -3,-0.2 2,-0.4 -0.752 5.1-164.7 -90.1 133.2 13.0 26.0 17.0 61 140 A I E +cd 18 95B 0 -44,-3.0 -42,-3.3 -2,-0.4 -41,-0.6 -0.954 18.9 156.4-118.1 135.8 11.0 22.9 16.3 62 141 A A E - d 0 96B 0 33,-1.6 35,-2.9 -2,-0.4 2,-0.6 -0.995 39.9-127.4-159.4 154.2 9.2 21.1 19.1 63 142 A F E + d 0 97B 6 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.926 40.6 163.2-105.7 119.9 6.3 18.8 19.9 64 143 A Y E - d 0 98B 66 33,-2.4 35,-3.4 -2,-0.6 36,-0.4 -0.889 26.5-137.8-132.2 164.5 4.0 20.2 22.6 65 144 A Q - 0 0 112 -2,-0.3 33,-0.0 2,-0.3 10,-0.0 -0.931 58.6 -36.1-125.7 151.5 0.6 19.4 23.8 66 145 A R S S+ 0 0 114 -2,-0.3 8,-2.4 7,-0.1 2,-0.3 -0.015 123.9 19.1 40.3-131.1 -2.3 21.8 24.8 67 146 A D + 0 0 126 6,-0.3 -2,-0.3 1,-0.1 8,-0.0 -0.492 68.2 160.8 -68.1 126.2 -0.9 24.9 26.6 68 147 A H - 0 0 31 -2,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 -0.081 62.1 -82.1-143.2 41.3 2.8 25.3 25.8 69 148 A G S S+ 0 0 84 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.436 114.2 72.3 80.5 1.5 3.9 28.9 26.5 70 149 A D S S- 0 0 31 21,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.204 94.5-124.0-129.7 11.7 2.9 30.8 23.4 71 150 A N S S+ 0 0 144 1,-0.2 -4,-0.1 3,-0.0 -2,-0.0 0.719 86.0 107.1 48.9 31.3 -0.8 30.8 24.0 72 151 A S - 0 0 55 -6,-0.1 -1,-0.2 11,-0.0 -6,-0.0 -0.691 66.0-164.6-124.3 64.6 -1.8 29.3 20.7 73 152 A P - 0 0 57 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.239 14.5-119.9 -56.3 142.2 -2.5 26.2 22.8 74 153 A F - 0 0 9 -8,-2.4 7,-0.1 1,-0.1 -9,-0.1 -0.265 14.6-136.0 -77.0 173.4 -3.0 22.9 20.9 75 154 A D - 0 0 71 5,-0.4 -1,-0.1 1,-0.4 -10,-0.1 -0.015 36.2-106.2-126.1 31.3 -6.2 21.0 21.1 76 155 A G S S+ 0 0 1 4,-0.1 -1,-0.4 3,-0.1 4,-0.1 -0.151 82.4 6.6 72.6-175.3 -5.5 17.3 21.6 77 156 A P S S- 0 0 82 0, 0.0 24,-0.1 0, 0.0 3,-0.1 0.032 118.9 -14.8 -40.8 137.9 -6.0 14.8 18.8 78 157 A N S S+ 0 0 83 1,-0.2 2,-0.5 22,-0.1 -3,-0.3 0.046 99.6 76.0 59.6-167.4 -6.8 16.2 15.3 79 158 A G S S+ 0 0 60 -5,-0.1 2,-0.7 2,-0.0 -1,-0.2 -0.582 101.8 31.2 70.5-120.6 -8.0 19.8 14.7 80 159 A I - 0 0 81 -2,-0.5 -5,-0.4 1,-0.2 3,-0.1 -0.605 66.5-179.8 -73.1 113.3 -4.9 21.9 14.9 81 160 A L - 0 0 20 -2,-0.7 17,-2.6 1,-0.3 2,-0.3 0.827 60.5 -43.0 -84.1 -32.4 -1.9 19.8 13.8 82 161 A A E -E 97 0B 10 15,-0.3 -1,-0.3 -19,-0.0 2,-0.3 -0.961 52.4-149.8-177.0 179.0 0.7 22.4 14.3 83 162 A H E -E 96 0B 23 13,-2.4 13,-2.9 -2,-0.3 2,-0.3 -0.973 3.9-158.6-162.1 164.7 1.6 26.0 13.8 84 163 A A E -E 95 0B 20 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.959 18.8-119.2-147.0 162.3 4.5 28.3 13.2 85 164 A F - 0 0 49 9,-2.1 8,-1.6 6,-0.4 3,-0.2 -0.854 31.3-108.6-110.8 142.5 5.4 31.9 13.6 86 165 A Q - 0 0 101 -2,-0.4 7,-0.6 6,-0.2 8,-0.2 -0.122 61.6 -61.3 -61.0 160.9 6.3 34.3 10.8 87 166 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.190 91.0 108.6 -47.0 126.5 10.0 35.5 10.6 88 167 A G - 0 0 37 4,-0.3 2,-0.1 -30,-0.2 -3,-0.1 -0.952 66.9 -61.8-178.1-172.3 10.8 37.3 13.8 89 168 A Q S > S- 0 0 164 -2,-0.3 3,-2.7 2,-0.1 2,-0.9 -0.471 97.9 -8.4 -91.3 164.1 12.7 37.1 17.0 90 169 A G T 3 S+ 0 0 40 1,-0.3 -2,-0.1 -2,-0.1 4,-0.1 -0.310 145.7 14.5 55.2 -94.7 12.4 34.5 19.8 91 170 A I T > S+ 0 0 58 -2,-0.9 3,-2.4 2,-0.1 -6,-0.4 0.742 100.8 112.2 -83.3 -22.2 9.3 32.7 18.7 92 171 A G T < S+ 0 0 6 -3,-2.7 -4,-0.3 1,-0.3 -6,-0.2 -0.250 87.9 12.6 -52.8 130.2 9.3 34.1 15.2 93 172 A G T 3 S+ 0 0 0 -8,-1.6 -1,-0.3 -7,-0.6 30,-0.1 0.136 97.1 133.4 88.7 -22.0 10.0 31.3 12.7 94 173 A D < - 0 0 11 -3,-2.4 -9,-2.1 -8,-0.2 2,-0.4 -0.273 43.8-150.5 -65.0 148.3 9.5 28.6 15.3 95 174 A A E -dE 61 84B 0 -35,-2.9 -33,-1.6 -11,-0.2 2,-0.4 -0.985 10.0-170.2-125.5 126.5 7.4 25.6 14.5 96 175 A H E -dE 62 83B 13 -13,-2.9 -13,-2.4 -2,-0.4 2,-0.4 -0.941 5.2-159.4-117.2 136.7 5.4 23.7 17.1 97 176 A F E -dE 63 82B 0 -35,-2.9 -33,-2.4 -2,-0.4 2,-0.6 -0.939 29.7-108.5-117.1 138.3 3.7 20.4 16.4 98 177 A D E > -d 64 0B 0 -17,-2.6 3,-1.7 -2,-0.4 -33,-0.2 -0.526 24.2-153.9 -67.7 113.2 0.9 19.0 18.4 99 178 A A T 3 S+ 0 0 26 -35,-3.4 -34,-0.2 -2,-0.6 -1,-0.2 0.635 88.1 67.2 -63.9 -16.7 2.4 16.1 20.4 100 179 A E T 3 S+ 0 0 56 -36,-0.4 -1,-0.3 -22,-0.1 2,-0.2 0.357 80.6 103.8 -88.3 8.2 -1.0 14.4 20.6 101 180 A E S < S- 0 0 2 -3,-1.7 2,-1.7 -20,-0.2 -77,-0.2 -0.500 84.5-110.2 -86.7 160.4 -1.2 13.7 16.9 102 181 A T - 0 0 72 -2,-0.2 2,-0.1 -78,-0.0 -2,-0.1 -0.578 47.7-167.7 -88.1 73.8 -0.6 10.3 15.2 103 182 A W + 0 0 7 -2,-1.7 2,-0.3 -4,-0.2 8,-0.2 -0.362 13.6 164.8 -67.5 141.7 2.7 11.4 13.6 104 183 A T B -f 111 0C 25 6,-1.8 8,-2.5 2,-0.2 9,-0.4 -0.977 43.9-133.8-153.6 159.0 4.2 9.2 10.9 105 184 A N S S+ 0 0 31 -2,-0.3 2,-0.1 6,-0.2 6,-0.1 0.368 89.8 66.1 -96.3 3.6 6.8 9.4 8.2 106 185 A T S S- 0 0 75 4,-0.1 -2,-0.2 2,-0.1 7,-0.1 -0.223 103.8 -78.6-108.2-161.7 4.5 7.7 5.7 107 186 A S S S+ 0 0 57 -2,-0.1 4,-0.3 4,-0.1 3,-0.1 0.698 91.2 93.2 -79.8 -24.1 1.2 8.7 4.0 108 187 A A S S- 0 0 67 1,-0.2 2,-0.3 2,-0.1 -4,-0.2 -0.124 90.6 -33.4 -66.7 168.3 -1.5 8.1 6.8 109 188 A N S S+ 0 0 96 1,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.509 126.9 16.1 -65.6 121.8 -2.7 10.8 9.2 110 189 A Y - 0 0 28 -2,-0.3 -6,-1.8 -6,-0.2 2,-0.6 0.415 64.0-167.5-128.4 130.4 -0.5 12.6 9.8 111 190 A N B > -f 104 0C 0 -4,-0.3 4,-2.1 -8,-0.2 -6,-0.2 -0.518 11.2-159.1 -68.8 114.1 2.6 12.8 7.7 112 191 A L H > S+ 0 0 0 -8,-2.5 4,-3.2 -2,-0.6 5,-0.3 0.861 89.2 58.9 -60.6 -39.9 5.1 14.9 9.7 113 192 A F H > S+ 0 0 16 -9,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.955 109.3 43.6 -55.4 -52.5 7.1 15.7 6.6 114 193 A L H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 116.6 45.4 -60.6 -46.1 4.1 17.4 4.9 115 194 A V H X S+ 0 0 6 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.935 114.4 48.1 -66.5 -45.2 3.0 19.2 8.1 116 195 A A H X S+ 0 0 0 -4,-3.2 4,-3.2 2,-0.2 5,-0.2 0.935 110.6 52.7 -60.0 -43.7 6.5 20.4 8.9 117 196 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 -5,-0.3 -1,-0.2 0.946 111.7 46.2 -55.1 -49.2 6.9 21.5 5.2 118 197 A H H >X S+ 0 0 22 -4,-2.4 4,-1.2 1,-0.2 3,-0.6 0.942 113.4 48.1 -58.3 -52.0 3.7 23.5 5.5 119 198 A E H 3X S+ 0 0 13 -4,-3.2 4,-2.3 1,-0.3 3,-0.5 0.890 106.9 56.1 -59.3 -40.5 4.7 25.0 8.9 120 199 A F H 3X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.3 -1,-0.3 0.804 97.7 63.5 -64.1 -26.6 8.1 26.0 7.6 121 200 A G H <<>S+ 0 0 0 -4,-1.3 5,-2.9 -3,-0.6 3,-0.4 0.935 107.6 42.9 -59.1 -44.2 6.4 27.9 4.8 122 201 A H H ><5S+ 0 0 31 -4,-1.2 3,-1.6 -3,-0.5 -2,-0.2 0.902 107.6 59.4 -66.0 -42.3 5.0 30.0 7.6 123 202 A S H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.781 108.6 46.7 -57.1 -26.8 8.4 30.1 9.3 124 203 A L T 3<5S- 0 0 0 -4,-1.5 -115,-0.4 -3,-0.4 -1,-0.3 0.452 130.6 -90.4 -96.0 -4.1 9.8 31.7 6.1 125 204 A G T < 5S+ 0 0 0 -3,-1.6 -122,-1.0 1,-0.3 2,-0.3 0.474 78.2 138.0 111.6 2.3 7.0 34.2 5.8 126 205 A L B < -A 2 0A 1 -5,-2.9 -1,-0.3 -6,-0.2 -124,-0.2 -0.618 35.2-156.2 -84.9 141.9 4.4 32.5 3.6 127 206 A A - 0 0 18 -126,-1.6 -124,-0.2 -2,-0.3 2,-0.1 -0.364 40.7 -65.9 -99.1-175.8 0.8 32.8 4.4 128 207 A H - 0 0 85 -2,-0.1 2,-0.3 -126,-0.1 9,-0.2 -0.378 47.7-139.5 -73.7 152.9 -1.9 30.4 3.4 129 208 A S - 0 0 9 7,-1.7 -1,-0.0 2,-0.2 25,-0.0 -0.808 10.8-141.1-110.9 154.9 -2.8 29.8 -0.2 130 209 A S S S+ 0 0 113 -2,-0.3 -1,-0.1 7,-0.1 7,-0.1 0.446 74.4 106.3 -91.7 -2.9 -6.3 29.4 -1.7 131 210 A D > - 0 0 71 1,-0.2 3,-1.7 2,-0.0 -2,-0.2 -0.686 63.4-152.5 -79.3 115.4 -4.9 26.8 -4.1 132 211 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.766 96.2 53.4 -60.8 -23.2 -6.2 23.4 -2.8 133 212 A G T 3 S+ 0 0 25 3,-0.0 2,-0.2 -3,-0.0 19,-0.0 0.560 89.4 101.4 -88.2 -8.1 -3.1 21.8 -4.4 134 213 A A S X S- 0 0 7 -3,-1.7 3,-1.6 1,-0.1 -5,-0.1 -0.491 75.0-132.6 -79.3 146.0 -0.7 24.1 -2.7 135 214 A L T 3 S+ 0 0 17 1,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.855 108.8 58.5 -62.7 -33.9 1.3 23.0 0.3 136 215 A M T 3 S+ 0 0 3 -8,-0.1 -7,-1.7 -15,-0.1 -1,-0.3 0.316 75.3 130.2 -81.6 11.2 0.3 26.2 2.0 137 216 A Y S < S- 0 0 76 -3,-1.6 -7,-0.1 -9,-0.2 4,-0.1 -0.339 70.8-117.4 -59.5 146.9 -3.4 25.4 1.6 138 217 A P S S+ 0 0 60 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.834 93.1 63.0 -59.5 -33.9 -5.1 25.9 5.0 139 218 A N S S- 0 0 114 1,-0.0 -2,-0.1 -7,-0.0 2,-0.1 -0.792 89.5-110.4-104.2 139.7 -6.1 22.3 5.4 140 219 A Y + 0 0 66 -2,-0.4 2,-0.3 -4,-0.1 -1,-0.0 -0.373 41.8 166.7 -60.8 129.8 -3.9 19.2 5.6 141 220 A A - 0 0 49 -2,-0.1 -4,-0.1 -6,-0.1 -2,-0.0 -0.878 33.9-123.5-149.8 109.9 -4.2 17.1 2.5 142 221 A F - 0 0 44 -2,-0.3 2,-0.3 -35,-0.1 -35,-0.1 -0.238 28.8-175.6 -59.7 143.4 -1.7 14.3 2.0 143 222 A R - 0 0 103 -8,-0.0 2,-0.4 5,-0.0 5,-0.1 -0.978 48.6 -72.3-137.8 146.2 0.4 14.3 -1.2 144 223 A E - 0 0 119 -2,-0.3 4,-0.1 1,-0.2 5,-0.1 -0.135 48.6-171.8 -42.8 94.4 2.9 11.8 -2.5 145 224 A T S S+ 0 0 26 -2,-0.4 3,-0.2 2,-0.2 -1,-0.2 0.777 70.9 70.8 -64.2 -29.5 5.7 12.5 -0.0 146 225 A S S S+ 0 0 77 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.968 120.4 10.9 -50.9 -81.6 8.2 10.2 -1.8 147 226 A N S S+ 0 0 136 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.190 95.9 156.4 -83.6 16.6 8.8 12.2 -5.0 148 227 A Y - 0 0 27 -3,-0.2 2,-0.5 -4,-0.1 -3,-0.1 -0.250 20.4-173.7 -51.6 109.0 7.0 15.1 -3.3 149 228 A S - 0 0 90 -2,-0.2 3,-0.1 -5,-0.1 -2,-0.1 -0.937 39.9 -92.3-110.0 126.4 8.2 18.2 -5.0 150 229 A L - 0 0 8 -2,-0.5 5,-0.1 -110,-0.1 -1,-0.1 -0.003 53.2-104.0 -34.3 125.9 7.0 21.5 -3.6 151 230 A P > - 0 0 23 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.178 26.9-114.0 -56.1 152.9 3.8 22.5 -5.5 152 231 A Q H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 114.7 56.8 -59.5 -38.7 4.2 25.3 -8.0 153 232 A D H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 107.9 48.6 -60.3 -38.0 2.1 27.7 -6.1 154 233 A D H > S+ 0 0 1 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.845 108.7 52.9 -70.8 -34.3 4.3 27.4 -3.1 155 234 A I H X S+ 0 0 40 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.932 109.6 49.2 -65.2 -44.4 7.4 27.9 -5.3 156 235 A D H X S+ 0 0 79 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.913 111.5 51.5 -59.7 -41.5 5.8 31.1 -6.6 157 236 A G H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.939 113.9 39.6 -60.9 -50.8 5.1 32.1 -3.0 158 237 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.5 0.843 115.6 53.0 -69.4 -33.8 8.6 31.6 -1.7 159 238 A Q H X S+ 0 0 83 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.866 104.6 56.6 -68.4 -35.3 10.2 33.0 -4.8 160 239 A A H < S+ 0 0 62 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.853 114.9 37.9 -64.1 -35.0 8.0 36.1 -4.4 161 240 A I H < S+ 0 0 21 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.933 135.4 16.1 -82.0 -50.8 9.4 36.7 -1.0 162 241 A Y H < 0 0 28 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.572 360.0 360.0-103.1 -13.7 13.1 35.7 -1.4 163 242 A G < 0 0 56 -4,-2.0 -3,-0.2 -5,-0.5 -4,-0.1 0.720 360.0 360.0 92.5 360.0 13.5 35.7 -5.1