==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (METALLOPROTEASE) 12-JAN-94 1MNC . COMPND 2 MOLECULE: NEUTROPHIL COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.STAMS,J.C.SPURLINO,D.L.SMITH,B.RUBIN . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.5 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 . 1 0.6 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 . 5 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 20.9 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 . 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 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 1 106 A G 0 0 78 0, 0.0 2,-0.2 0, 0.0 157,-0.1 0.000 360.0 360.0 360.0 133.6 14.2 44.8 12.9 2 107 A P - 0 0 61 0, 0.0 155,-0.1 0, 0.0 118,-0.1 -0.459 360.0-170.6 -66.1 131.9 15.3 42.4 15.6 3 108 A K S S+ 0 0 117 116,-0.5 2,-0.3 -2,-0.2 117,-0.1 0.928 92.3 47.7 -78.4 -49.6 13.3 41.8 18.8 4 109 A W S S- 0 0 17 115,-0.4 -1,-0.1 1,-0.1 5,-0.0 -0.702 77.8-156.4 -81.4 132.2 16.4 39.8 20.0 5 110 A E S S+ 0 0 164 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.551 74.0 63.7 -90.4 -5.9 19.6 41.8 19.4 6 111 A R - 0 0 119 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 -0.819 64.5-154.1-115.9 152.6 21.8 38.6 19.4 7 112 A T S S+ 0 0 65 -2,-0.3 36,-2.7 1,-0.1 2,-0.7 0.566 82.1 70.3-100.3 -24.0 21.7 35.7 17.0 8 113 A N E S-a 43 0A 85 34,-0.2 2,-0.3 36,-0.0 36,-0.2 -0.917 70.4-179.9-103.0 104.6 23.1 33.0 19.3 9 114 A L E -a 44 0A 0 34,-2.3 36,-2.1 -2,-0.7 2,-0.3 -0.774 16.3-143.1-109.3 147.0 20.4 32.4 21.9 10 115 A T E -a 45 0A 37 -2,-0.3 44,-1.9 34,-0.2 43,-0.6 -0.772 13.3-169.3-111.0 155.3 20.4 30.0 24.8 11 116 A Y E -ab 46 54A 23 34,-2.1 36,-1.7 -2,-0.3 2,-0.4 -0.966 5.6-162.8-140.3 154.5 17.6 27.9 26.2 12 117 A R E - b 0 55A 51 42,-1.8 44,-2.8 -2,-0.3 2,-0.9 -0.994 17.8-140.1-143.4 130.8 17.0 25.8 29.3 13 118 A I E - b 0 56A 24 -2,-0.4 44,-0.2 34,-0.3 3,-0.1 -0.808 20.9-170.2 -91.6 101.8 14.4 23.2 30.0 14 119 A R - 0 0 110 42,-2.6 2,-0.3 -2,-0.9 43,-0.2 0.861 62.9 -12.7 -64.6 -46.0 13.5 23.9 33.6 15 120 A N - 0 0 55 41,-0.5 2,-0.3 44,-0.0 -1,-0.1 -0.868 69.9-127.0-149.0 173.2 11.4 20.9 34.4 16 121 A Y - 0 0 66 -2,-0.3 6,-0.1 41,-0.1 42,-0.1 -0.835 18.3-112.4-126.2 160.1 9.7 18.1 32.4 17 122 A T > - 0 0 4 -2,-0.3 3,-1.1 4,-0.1 8,-0.1 -0.819 24.4-142.9 -91.0 137.4 6.3 16.5 31.9 18 123 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.505 89.8 81.8 -78.1 -6.0 6.5 12.9 33.3 19 124 A Q T 3 S+ 0 0 82 2,-0.1 2,-0.3 80,-0.0 78,-0.0 0.736 97.9 36.6 -72.0 -25.8 4.2 11.8 30.4 20 125 A L S < S- 0 0 17 -3,-1.1 79,-0.0 1,-0.1 -4,-0.0 -0.852 96.9-100.3-122.2 159.9 7.1 11.6 28.0 21 126 A S > - 0 0 59 -2,-0.3 4,-1.6 1,-0.1 -4,-0.1 -0.251 37.3-108.7 -69.9 170.5 10.7 10.5 28.7 22 127 A E H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.870 119.6 51.8 -68.1 -31.4 13.4 13.3 29.1 23 128 A A H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.850 107.4 51.9 -70.0 -37.3 15.0 12.5 25.8 24 129 A E H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 110.9 48.4 -65.6 -40.9 11.6 12.7 24.0 25 130 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.943 111.1 50.3 -64.0 -54.4 11.0 16.1 25.6 26 131 A E H X S+ 0 0 88 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.836 111.4 48.1 -57.3 -36.1 14.5 17.4 24.6 27 132 A R H X S+ 0 0 148 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.895 109.9 50.7 -72.5 -42.3 14.1 16.3 21.0 28 133 A A H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.900 113.4 46.7 -60.4 -46.2 10.6 17.9 20.5 29 134 A I H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.900 114.6 46.3 -61.5 -41.4 12.0 21.2 21.9 30 135 A K H X S+ 0 0 114 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.902 111.7 50.6 -66.9 -47.4 15.2 21.0 19.7 31 136 A D H X S+ 0 0 70 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.846 108.0 56.0 -61.1 -36.7 13.2 20.1 16.6 32 137 A A H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.835 110.3 42.5 -64.7 -40.1 11.0 23.1 17.4 33 138 A F H >X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 3,-0.9 0.936 107.3 59.7 -75.4 -43.8 13.9 25.6 17.5 34 139 A E H 3X S+ 0 0 55 -4,-2.4 4,-1.9 1,-0.3 -2,-0.2 0.807 96.7 63.5 -55.9 -28.8 15.6 24.2 14.4 35 140 A L H 3< S+ 0 0 14 -4,-1.1 110,-0.3 1,-0.2 -1,-0.3 0.883 110.6 36.9 -58.9 -48.3 12.4 25.0 12.4 36 141 A W H X< S+ 0 0 0 -3,-0.9 3,-1.1 -4,-0.7 6,-0.3 0.829 112.3 61.6 -73.3 -41.4 12.9 28.8 13.1 37 142 A S H >< S+ 0 0 18 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.826 97.2 56.5 -57.2 -36.4 16.7 28.4 12.8 38 143 A V T 3< S+ 0 0 126 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.673 110.6 45.3 -74.9 -8.6 16.6 27.3 9.1 39 144 A A T < S+ 0 0 15 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.273 118.8 28.4-115.1 9.9 14.7 30.4 8.0 40 145 A S S < S- 0 0 18 -3,-1.0 114,-0.1 2,-0.2 118,-0.1 -0.817 89.2 -93.6-154.9 179.2 16.6 33.1 9.9 41 146 A P S S+ 0 0 54 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.318 82.6 119.8 -84.5 5.7 20.1 33.9 11.2 42 147 A L - 0 0 2 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.443 41.2-170.8 -82.2 141.2 19.2 32.5 14.7 43 148 A I E -a 8 0A 85 -36,-2.7 -34,-2.3 -2,-0.2 2,-0.4 -0.990 9.8-148.2-129.6 135.1 21.0 29.6 16.4 44 149 A F E -a 9 0A 13 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.941 12.4-176.9-114.9 129.7 19.9 27.9 19.6 45 150 A T E -a 10 0A 72 -36,-2.1 -34,-2.1 -2,-0.4 2,-0.3 -0.989 19.6-136.2-127.0 134.1 21.9 26.3 22.3 46 151 A G E -a 11 0A 42 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.618 20.8-166.8 -86.4 143.0 20.8 24.4 25.4 47 152 A I - 0 0 49 -36,-1.7 -34,-0.3 -2,-0.3 3,-0.1 -0.937 16.4-151.8-127.0 153.6 22.5 25.1 28.8 48 153 A S S S+ 0 0 98 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.730 76.6 21.9 -95.5 -36.9 22.3 23.1 32.0 49 154 A Q S S+ 0 0 157 2,-0.1 -1,-0.2 -37,-0.0 2,-0.1 -0.929 99.8 22.0-136.5 156.8 22.9 25.7 34.6 50 155 A G S S- 0 0 46 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.281 95.9 -14.5 87.8-168.1 22.6 29.5 34.8 51 156 A E - 0 0 163 -2,-0.1 2,-0.3 4,-0.0 -2,-0.1 -0.611 55.2-170.4 -78.6 127.5 20.7 32.1 32.9 52 157 A A - 0 0 12 -2,-0.3 -41,-0.2 1,-0.1 3,-0.2 -0.813 28.3-134.3-113.0 154.3 19.1 31.2 29.6 53 158 A D S S+ 0 0 21 -43,-0.6 2,-0.5 -2,-0.3 -42,-0.2 0.873 102.2 33.9 -69.3 -40.8 17.5 33.7 27.2 54 159 A I E S-b 11 0A 0 -44,-1.9 -42,-1.8 34,-0.1 2,-0.4 -0.987 74.5-166.6-116.6 110.0 14.5 31.3 26.8 55 160 A N E -b 12 0A 25 -2,-0.5 35,-2.1 -44,-0.2 2,-0.4 -0.852 8.1-158.5 -97.1 136.5 13.4 29.3 29.9 56 161 A I E +bc 13 90A 0 -44,-2.8 -42,-2.6 -2,-0.4 -41,-0.5 -0.931 20.5 158.5-115.5 137.0 10.9 26.4 29.2 57 162 A A E - c 0 91A 1 33,-1.6 35,-2.4 -2,-0.4 2,-0.5 -0.995 38.5-128.7-161.1 158.0 8.7 24.9 31.9 58 163 A F E + c 0 92A 10 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.962 37.0 178.5-104.7 111.4 5.5 23.0 32.6 59 164 A Y E - c 0 93A 77 33,-2.9 35,-2.5 -2,-0.5 36,-0.4 -0.933 23.7-138.2-127.7 158.0 3.3 24.6 35.1 60 165 A Q - 0 0 121 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.855 60.7 -51.5-107.5 132.0 -0.1 24.0 36.8 61 166 A R S S+ 0 0 129 -2,-0.4 8,-2.4 7,-0.1 2,-0.4 -0.089 122.0 26.7 43.2-121.6 -2.7 26.8 37.3 62 167 A D + 0 0 139 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.613 66.1 161.7 -75.0 118.8 -1.2 29.9 39.1 63 168 A H - 0 0 33 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.139 62.5 -82.6-131.6 21.5 2.4 30.0 38.3 64 169 A G S S+ 0 0 82 1,-0.4 2,-0.2 2,-0.0 -2,-0.1 0.465 99.6 82.0 97.0 1.8 3.6 33.5 39.0 65 170 A D S S- 0 0 38 2,-0.0 -1,-0.4 21,-0.0 -2,-0.2 -0.520 94.0 -91.2-120.1-169.4 2.7 35.6 36.0 66 171 A G S S+ 0 0 75 -2,-0.2 -4,-0.0 1,-0.2 -2,-0.0 0.597 106.3 71.2 -83.8 -11.4 -0.6 37.1 35.0 67 172 A S - 0 0 61 -6,-0.0 -1,-0.2 -4,-0.0 -2,-0.0 -0.790 65.8-165.7-112.3 84.1 -1.9 34.2 33.1 68 173 A P - 0 0 69 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.256 25.7-113.5 -63.0 150.1 -2.9 31.2 35.2 69 174 A F - 0 0 9 -8,-2.4 7,-0.1 1,-0.1 -9,-0.1 -0.322 17.6-144.5 -78.3 164.4 -3.4 27.8 33.3 70 175 A D - 0 0 73 1,-0.4 -1,-0.1 5,-0.4 -10,-0.1 0.021 35.5-104.1-128.6 30.4 -6.9 26.3 33.2 71 176 A G S S+ 0 0 2 3,-0.1 -1,-0.4 5,-0.0 25,-0.1 -0.121 79.5 0.3 76.6-168.4 -6.7 22.5 33.4 72 177 A P S S- 0 0 82 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.003 119.1 -8.7 -48.0 142.9 -7.1 20.2 30.4 73 178 A N S S+ 0 0 83 1,-0.1 2,-0.2 24,-0.1 -3,-0.2 -0.101 97.5 81.4 58.3-163.5 -7.8 21.8 27.0 74 179 A G S S+ 0 0 61 -5,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.571 104.4 14.1 69.5-129.8 -8.6 25.5 26.7 75 180 A I - 0 0 93 -2,-0.2 -5,-0.4 1,-0.1 3,-0.1 -0.621 66.1-173.8 -77.1 130.1 -5.2 27.3 26.7 76 181 A L - 0 0 24 1,-0.4 17,-2.6 -2,-0.4 2,-0.3 0.803 60.7 -25.8 -95.6 -30.1 -2.3 24.9 26.1 77 182 A A E -D 92 0A 12 15,-0.3 -1,-0.4 -19,-0.1 2,-0.3 -0.947 53.4-149.2-170.3 168.8 0.7 27.1 26.6 78 183 A H E -D 91 0A 30 13,-2.2 13,-2.6 -2,-0.3 2,-0.3 -0.953 6.4-163.9-148.6 160.8 1.9 30.7 26.4 79 184 A A E -D 90 0A 19 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.981 16.3-127.5-144.4 156.0 5.1 32.6 25.7 80 185 A F - 0 0 52 9,-2.2 8,-0.8 6,-0.3 3,-0.1 -0.887 28.2-111.0-106.9 147.3 6.4 36.1 26.2 81 186 A Q - 0 0 79 -2,-0.4 7,-0.5 1,-0.2 8,-0.2 -0.210 57.5 -63.2 -68.8 158.8 7.9 38.4 23.5 82 187 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.042 84.8 106.5 -47.0 135.1 11.7 39.3 23.6 83 188 A G - 0 0 41 -30,-0.2 2,-0.3 4,-0.1 -3,-0.0 -0.950 68.3 -62.5 175.5-171.1 12.7 41.2 26.6 84 189 A Q S > S+ 0 0 199 -2,-0.3 3,-0.9 2,-0.1 2,-0.6 -0.707 101.7 2.6-100.7 145.3 14.6 41.0 29.9 85 190 A G T 3 S+ 0 0 65 -2,-0.3 -2,-0.1 1,-0.3 4,-0.1 -0.707 142.9 7.8 80.7-120.4 13.5 38.7 32.7 86 191 A I T > S+ 0 0 76 -2,-0.6 3,-2.9 2,-0.1 -6,-0.3 0.650 99.6 118.9 -67.1 -19.3 10.5 36.7 31.6 87 192 A G T < S+ 0 0 7 -3,-0.9 -6,-0.2 1,-0.3 -4,-0.1 -0.170 79.3 20.3 -51.6 130.9 10.8 38.0 28.0 88 193 A G T 3 S+ 0 0 0 -8,-0.8 -1,-0.3 -7,-0.5 30,-0.1 0.083 94.3 134.3 91.9 -18.2 11.4 35.0 25.7 89 194 A D < - 0 0 18 -3,-2.9 -9,-2.2 -8,-0.2 2,-0.4 -0.242 40.8-154.8 -68.5 151.8 10.0 32.4 28.1 90 195 A A E -cD 56 79A 0 -35,-2.1 -33,-1.6 -11,-0.2 2,-0.4 -0.962 7.3-167.5-126.9 124.3 7.6 29.6 27.2 91 196 A H E -cD 57 78A 13 -13,-2.6 -13,-2.2 -2,-0.4 2,-0.4 -0.952 4.7-157.1-113.4 135.2 5.2 28.0 29.7 92 197 A F E -cD 58 77A 0 -35,-2.4 -33,-2.9 -2,-0.4 2,-0.6 -0.958 27.2-112.7-119.9 138.0 3.3 24.7 29.1 93 198 A D E > -c 59 0A 0 -17,-2.6 3,-1.8 -2,-0.4 -33,-0.2 -0.544 23.9-157.6 -68.1 110.5 0.1 23.7 30.9 94 199 A A T 3 S+ 0 0 34 -35,-2.5 -34,-0.2 -2,-0.6 -1,-0.1 0.620 84.9 70.8 -64.5 -17.1 1.2 20.7 32.9 95 200 A E T 3 S+ 0 0 56 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.1 0.412 81.4 92.9 -83.6 2.1 -2.4 19.5 33.0 96 201 A E S < S- 0 0 3 -3,-1.8 2,-0.6 -20,-0.2 9,-0.1 -0.421 85.8-108.3 -88.0 168.7 -2.5 18.6 29.4 97 202 A T - 0 0 84 -2,-0.1 2,-0.5 -78,-0.0 -2,-0.1 -0.836 40.5-159.6 -86.4 124.7 -1.9 15.2 27.8 98 203 A W + 0 0 5 -2,-0.6 2,-0.2 -4,-0.1 8,-0.2 -0.957 19.1 161.9-114.0 130.2 1.5 15.7 26.0 99 204 A T B -e 106 0B 15 6,-2.7 8,-3.0 -2,-0.5 9,-0.3 -0.691 45.9-139.1-135.4-178.3 2.5 13.4 23.2 100 205 A N S S+ 0 0 77 -2,-0.2 2,-0.2 6,-0.2 6,-0.1 -0.246 86.2 71.8-132.7 32.8 4.8 13.0 20.2 101 206 A T S S- 0 0 76 2,-0.4 -2,-0.1 39,-0.0 4,-0.1 -0.550 106.0 -82.9-128.7-164.6 2.1 11.4 18.0 102 207 A S S S+ 0 0 81 -2,-0.2 4,-0.1 2,-0.1 2,-0.1 0.464 96.9 107.0 -83.6 -7.0 -1.1 12.8 16.3 103 208 A A S S- 0 0 49 2,-0.1 -2,-0.4 1,-0.1 -4,-0.2 -0.528 86.0 -56.9 -72.4 145.3 -2.9 12.4 19.6 104 209 A N S S+ 0 0 86 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.494 116.5 20.2 -72.6 133.1 -3.6 15.7 21.5 105 210 A Y - 0 0 33 -2,-0.2 -6,-2.7 -6,-0.1 2,-0.4 0.444 65.4-163.2-118.9 136.5 -1.5 17.5 22.2 106 211 A N B > -e 99 0B 1 -8,-0.2 4,-1.6 1,-0.2 -6,-0.2 -0.611 13.1-151.5 -68.2 119.7 1.8 17.1 20.2 107 212 A L H > S+ 0 0 1 -8,-3.0 4,-3.2 -2,-0.4 5,-0.2 0.804 89.8 56.9 -63.7 -43.2 4.6 18.8 22.1 108 213 A F H > S+ 0 0 14 -9,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.890 110.2 43.3 -53.7 -48.2 6.7 19.7 19.1 109 214 A L H > S+ 0 0 10 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.884 116.1 48.8 -72.4 -35.5 3.9 21.6 17.3 110 215 A V H X S+ 0 0 7 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.926 113.9 45.1 -70.3 -45.0 2.9 23.4 20.6 111 216 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.874 109.3 57.0 -64.8 -34.0 6.5 24.3 21.4 112 217 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.902 109.1 46.7 -66.1 -37.6 7.1 25.5 17.7 113 218 A H H X S+ 0 0 22 -4,-1.6 4,-1.0 2,-0.2 3,-0.4 0.932 112.2 48.8 -67.3 -49.7 4.1 27.9 18.1 114 219 A E H >X S+ 0 0 11 -4,-1.9 4,-1.8 1,-0.2 3,-0.5 0.894 107.0 56.1 -57.1 -44.9 5.3 29.2 21.5 115 220 A F H 3X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.773 97.4 61.9 -61.4 -33.1 8.9 29.8 20.2 116 221 A G H 3<>S+ 0 0 0 -4,-1.1 5,-3.1 -3,-0.4 4,-0.4 0.895 108.0 45.3 -56.6 -45.0 7.5 32.0 17.3 117 222 A H H X<5S+ 0 0 20 -4,-1.0 3,-1.8 -3,-0.5 -2,-0.2 0.944 107.5 57.7 -61.2 -47.2 6.3 34.3 20.2 118 223 A S H 3<5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.755 109.3 45.5 -52.9 -31.6 9.6 34.0 22.0 119 224 A L T 3<5S- 0 0 0 -4,-1.3 -116,-0.5 -3,-0.3 -115,-0.4 0.442 130.2 -91.0 -94.8 -8.3 11.3 35.4 18.9 120 225 A G T < 5S+ 0 0 12 -3,-1.8 -3,-0.2 -4,-0.4 2,-0.2 0.433 76.6 138.8 110.7 4.1 8.8 38.2 18.4 121 226 A L < - 0 0 10 -5,-3.1 -1,-0.3 -6,-0.2 2,-0.2 -0.515 36.8-148.8 -82.3 154.0 6.1 36.9 16.1 122 227 A A - 0 0 71 1,-0.2 2,-0.1 -2,-0.2 30,-0.0 -0.480 38.8 -67.0-104.0-177.9 2.4 37.6 16.6 123 228 A H - 0 0 101 -2,-0.2 2,-0.3 1,-0.1 9,-0.3 -0.344 48.7-132.9 -72.6 155.8 -0.5 35.4 15.7 124 229 A S - 0 0 14 7,-1.7 -1,-0.1 2,-0.1 25,-0.0 -0.809 9.6-149.0-107.4 148.4 -1.4 34.7 12.1 125 230 A S S S+ 0 0 114 -2,-0.3 -1,-0.1 7,-0.1 7,-0.1 0.590 76.5 95.1 -91.7 -9.1 -4.8 34.9 10.4 126 231 A D > - 0 0 68 1,-0.2 3,-2.0 2,-0.0 6,-0.2 -0.707 67.0-152.0 -84.4 114.0 -3.8 32.0 8.0 127 232 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.607 95.3 59.0 -63.4 -13.2 -5.0 28.7 9.4 128 233 A G T 3 S+ 0 0 23 3,-0.0 2,-0.2 10,-0.0 19,-0.1 0.549 89.2 97.2 -91.8 -8.3 -2.2 26.8 7.7 129 234 A A S X S- 0 0 7 -3,-2.0 3,-1.3 1,-0.1 -5,-0.1 -0.540 76.1-134.8 -84.1 146.4 0.4 28.9 9.6 130 235 A L T 3 S+ 0 0 16 1,-0.3 -1,-0.1 -2,-0.2 -14,-0.1 0.784 106.1 61.3 -66.6 -28.5 2.1 27.7 12.7 131 236 A M T 3 S+ 0 0 2 -5,-0.1 -7,-1.7 -8,-0.1 -1,-0.3 0.349 76.0 120.8 -82.5 3.8 1.4 31.1 14.4 132 237 A Y S < S- 0 0 66 -3,-1.3 -7,-0.1 -9,-0.3 -9,-0.0 -0.483 71.0-125.9 -66.0 139.5 -2.3 30.6 14.0 133 238 A P S S+ 0 0 71 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.430 85.4 71.7 -74.9 1.0 -4.0 30.7 17.5 134 239 A N S S- 0 0 102 -7,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.916 84.1-118.6-119.8 132.0 -5.8 27.4 17.4 135 240 A Y + 0 0 63 -2,-0.4 2,-0.3 -22,-0.0 -5,-0.0 -0.543 36.5 168.5 -72.5 138.3 -4.0 24.1 17.6 136 241 A A - 0 0 52 -2,-0.3 2,-0.3 -6,-0.1 -2,-0.0 -0.994 35.9-120.9-148.0 136.9 -4.3 21.7 14.6 137 242 A F + 0 0 72 -2,-0.3 3,-0.1 1,-0.2 -35,-0.1 -0.708 34.2 171.0 -80.1 133.8 -2.2 18.6 14.1 138 243 A R - 0 0 141 1,-0.7 2,-0.3 -2,-0.3 -1,-0.2 0.748 51.4 -86.9-114.2 -43.7 -0.4 18.9 10.8 139 244 A E - 0 0 65 -38,-0.1 -1,-0.7 2,-0.1 -30,-0.1 -0.801 27.5-148.0 156.4-162.7 2.0 16.0 10.7 140 245 A T S > S+ 0 0 48 -2,-0.3 3,-2.2 -3,-0.1 -39,-0.0 0.177 73.3 88.1-157.1 -44.9 5.5 15.9 12.2 141 246 A S T 3 S+ 0 0 101 1,-0.3 2,-0.4 0, 0.0 -2,-0.1 0.753 113.3 3.5 -31.3 -84.2 7.4 13.6 9.9 142 247 A N T 3 S+ 0 0 153 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 -0.500 92.7 157.4-109.0 58.9 8.7 16.1 7.2 143 248 A Y < + 0 0 30 -3,-2.2 2,-0.3 -2,-0.4 -3,-0.0 -0.688 9.4 166.8 -83.6 135.2 7.2 19.1 8.9 144 249 A S - 0 0 83 -2,-0.4 -109,-0.1 -109,-0.0 -2,-0.0 -0.889 47.8 -68.3-140.1 158.9 8.9 22.4 7.9 145 250 A L - 0 0 13 -110,-0.3 -16,-0.1 -2,-0.3 5,-0.1 -0.350 51.1-117.5 -61.8 133.1 7.8 25.9 8.5 146 251 A P >> - 0 0 27 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.177 29.9-106.7 -59.2 152.3 4.7 27.0 6.6 147 252 A Q H 3> S+ 0 0 133 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.873 116.0 56.0 -48.3 -48.8 5.2 30.0 4.1 148 253 A D H 3> S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.884 107.5 48.2 -59.4 -40.9 3.4 32.6 6.3 149 254 A D H <> S+ 0 0 2 -3,-0.7 4,-2.5 2,-0.2 5,-0.3 0.872 108.8 53.8 -70.9 -33.8 5.7 32.0 9.3 150 255 A I H X S+ 0 0 54 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.920 109.1 49.1 -65.2 -43.2 8.8 32.2 7.1 151 256 A D H X S+ 0 0 86 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.897 112.6 49.7 -59.1 -40.6 7.6 35.6 5.8 152 257 A G H X S+ 0 0 24 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.865 113.0 42.8 -70.9 -39.9 7.0 36.6 9.5 153 258 A I H >X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 3,-0.7 0.884 115.3 50.8 -71.0 -39.5 10.5 35.6 10.8 154 259 A Q H 3X S+ 0 0 96 -4,-2.3 4,-1.8 1,-0.3 -2,-0.2 0.880 102.3 61.1 -62.9 -40.1 12.2 37.1 7.7 155 260 A A H 3< S+ 0 0 80 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.775 115.0 34.1 -63.1 -25.1 10.3 40.4 8.2 156 261 A I H << S+ 0 0 31 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.854 134.6 14.2 -99.1 -41.6 12.0 40.8 11.6 157 262 A Y H < 0 0 31 -4,-2.5 -3,-0.2 -155,-0.1 -2,-0.2 0.499 360.0 360.0-114.8 -7.5 15.5 39.3 11.4 158 263 A G < 0 0 56 -4,-1.8 -4,-0.2 -5,-0.4 -3,-0.1 0.779 360.0 360.0 80.4 360.0 16.4 38.8 7.7