==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (METALLOPROTEASE) 03-FEB-94 1CGE . COMPND 2 MOLECULE: FIBROBLAST COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.LOVEJOY,A.M.HASSELL,M.A.LUTHER,D.WEIGL,S.R.JORDAN . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 52.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 9.9 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 . 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 21.1 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 1 102 A L 0 0 211 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.9 -14.7 32.2 75.3 2 103 A T - 0 0 135 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.982 360.0-153.5-121.8 134.9 -15.2 33.6 71.8 3 104 A E - 0 0 80 -2,-0.4 2,-0.1 1,-0.0 0, 0.0 -0.895 8.5-140.7-112.3 136.8 -15.0 37.3 70.8 4 105 A G - 0 0 72 -2,-0.4 3,-0.0 1,-0.1 -1,-0.0 -0.357 26.7-102.1 -84.8 172.3 -16.8 38.9 67.8 5 106 A N - 0 0 106 -2,-0.1 -1,-0.1 1,-0.1 120,-0.0 -0.764 48.4 -83.5 -99.1 144.7 -15.3 41.6 65.6 6 107 A P + 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.164 58.1 170.8 -47.7 126.0 -16.3 45.3 66.0 7 108 A R - 0 0 74 78,-0.1 2,-0.5 79,-0.1 117,-0.1 -0.902 38.4-112.8-137.1 162.3 -19.5 46.2 64.1 8 109 A W - 0 0 21 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.825 20.7-155.2 -93.7 131.6 -21.9 49.1 63.8 9 110 A E S S+ 0 0 177 -2,-0.5 2,-0.2 2,-0.0 -1,-0.2 0.850 77.6 63.1 -76.1 -33.3 -25.3 48.1 65.3 10 111 A Q S S- 0 0 83 1,-0.1 -2,-0.1 -3,-0.1 3,-0.0 -0.577 72.0-147.4 -88.5 154.7 -27.2 50.6 63.2 11 112 A T S S+ 0 0 69 -2,-0.2 36,-2.6 1,-0.1 2,-0.6 0.411 82.6 72.2-100.0 -3.8 -27.3 50.3 59.4 12 113 A H E -a 47 0A 82 34,-0.2 2,-0.3 36,-0.0 36,-0.2 -0.942 67.2-177.0-115.8 113.4 -27.6 54.1 58.8 13 114 A L E -a 48 0A 0 34,-2.8 36,-2.7 -2,-0.6 2,-0.4 -0.730 17.5-142.0-112.2 156.3 -24.3 55.9 59.6 14 115 A R E -a 49 0A 102 -2,-0.3 44,-2.2 34,-0.2 43,-1.8 -0.916 19.7-174.8-114.6 140.8 -23.4 59.6 59.5 15 116 A Y E -ab 50 58A 7 34,-2.5 36,-2.8 -2,-0.4 2,-0.3 -0.923 8.5-167.0-134.2 158.2 -20.0 60.9 58.3 16 117 A R E - b 0 59A 62 42,-2.2 44,-3.2 -2,-0.3 2,-0.9 -0.975 20.4-140.0-147.3 134.7 -18.3 64.2 58.1 17 118 A I E - b 0 60A 10 -2,-0.3 44,-0.2 34,-0.3 3,-0.1 -0.864 20.1-166.6 -92.2 105.2 -15.2 65.4 56.3 18 119 A E - 0 0 87 42,-2.8 2,-0.3 -2,-0.9 43,-0.2 0.834 64.9 -3.6 -62.7 -38.4 -13.6 67.7 59.0 19 120 A N S S- 0 0 64 41,-0.7 2,-0.4 -3,-0.1 -1,-0.1 -0.952 70.3-118.9-151.5 166.9 -11.1 69.4 56.6 20 121 A Y - 0 0 54 -2,-0.3 6,-0.1 41,-0.1 41,-0.0 -0.878 21.0-118.0-119.4 145.1 -9.9 69.3 53.0 21 122 A T > - 0 0 3 -2,-0.4 3,-0.9 1,-0.1 8,-0.1 -0.606 17.7-138.7 -76.4 136.8 -6.6 68.6 51.4 22 123 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.619 92.3 84.0 -68.2 -14.0 -5.2 71.6 49.4 23 124 A D T 3 S+ 0 0 62 75,-0.1 78,-0.0 2,-0.0 75,-0.0 0.792 96.6 27.8 -60.3 -35.7 -4.2 69.0 46.7 24 125 A L S < S- 0 0 20 -3,-0.9 2,-0.1 79,-0.1 79,-0.1 -0.852 91.3 -98.7-127.5 158.5 -7.6 68.9 45.1 25 126 A P >> - 0 0 82 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.488 45.2-108.1 -70.1 157.5 -10.5 71.4 44.7 26 127 A R H 3> S+ 0 0 140 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.805 115.7 62.9 -60.2 -27.9 -13.2 70.6 47.3 27 128 A A H 3> S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 102.7 48.3 -64.1 -40.3 -15.6 69.3 44.6 28 129 A D H <> S+ 0 0 59 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.897 111.2 50.8 -67.4 -40.9 -13.2 66.4 43.7 29 130 A V H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.963 109.4 48.8 -62.6 -52.6 -12.7 65.4 47.3 30 131 A D H X S+ 0 0 34 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.899 114.5 47.2 -53.6 -43.5 -16.4 65.3 48.1 31 132 A H H X S+ 0 0 105 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.866 109.8 51.9 -69.0 -38.3 -17.0 63.2 45.1 32 133 A A H X S+ 0 0 13 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.944 115.8 41.4 -65.1 -44.1 -14.2 60.8 45.8 33 134 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 3,-0.5 0.940 114.9 49.4 -68.0 -49.4 -15.5 60.2 49.3 34 135 A E H X S+ 0 0 111 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.911 111.2 50.9 -56.8 -43.4 -19.2 60.0 48.4 35 136 A K H X S+ 0 0 76 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.3 0.777 106.0 55.7 -65.7 -30.1 -18.3 57.5 45.6 36 137 A A H X S+ 0 0 0 -4,-1.1 4,-0.9 -3,-0.5 3,-0.4 0.924 108.8 46.1 -69.8 -42.6 -16.3 55.4 48.1 37 138 A F H X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.2 3,-0.4 0.873 106.6 60.7 -65.8 -37.3 -19.3 55.0 50.5 38 139 A Q H X S+ 0 0 83 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.832 96.6 60.1 -59.7 -33.9 -21.5 54.2 47.5 39 140 A L H < S+ 0 0 15 -4,-1.0 4,-0.3 -3,-0.4 -1,-0.2 0.900 111.8 39.1 -60.9 -41.6 -19.4 51.2 46.7 40 141 A W H >X S+ 0 0 0 -4,-0.9 3,-1.3 -3,-0.4 4,-0.5 0.897 112.9 52.2 -77.5 -43.0 -20.2 49.7 50.1 41 142 A S H >< S+ 0 0 34 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.769 98.2 70.8 -66.7 -21.6 -23.9 50.7 50.4 42 143 A N T 3< S+ 0 0 107 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.760 107.0 33.8 -63.8 -28.6 -24.4 49.1 47.0 43 144 A V T <4 S+ 0 0 35 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.406 120.9 41.9-111.6 6.5 -24.0 45.6 48.4 44 145 A T S << S- 0 0 14 -3,-0.5 117,-0.2 -4,-0.5 116,-0.1 -0.715 86.4-103.2-140.8 177.1 -25.5 46.0 51.9 45 146 A P S S+ 0 0 57 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.294 79.5 126.2 -88.2 10.2 -28.4 47.6 53.7 46 147 A L - 0 0 2 -6,-0.2 2,-0.3 -34,-0.1 -34,-0.2 -0.490 39.7-171.0 -70.8 134.5 -26.0 50.3 54.9 47 148 A T E -a 12 0A 72 -36,-2.6 -34,-2.8 -2,-0.2 2,-0.4 -0.952 6.5-153.3-126.3 145.7 -26.9 54.0 54.2 48 149 A F E -a 13 0A 37 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.968 4.6-164.6-127.0 126.5 -24.7 57.0 54.8 49 150 A T E -a 14 0A 61 -36,-2.7 -34,-2.5 -2,-0.4 2,-0.6 -0.917 16.8-139.0-108.8 132.4 -25.7 60.6 55.5 50 151 A K E -a 15 0A 71 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.788 18.5-164.4 -90.9 120.9 -23.1 63.4 55.1 51 152 A V - 0 0 13 -36,-2.8 -34,-0.3 -2,-0.6 3,-0.1 -0.888 16.4-152.6-107.0 136.4 -23.4 66.0 57.9 52 153 A S S S- 0 0 90 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.541 79.8 -7.5 -83.1 -8.5 -21.7 69.4 57.5 53 154 A E S S+ 0 0 133 2,-0.2 -1,-0.2 -37,-0.0 2,-0.1 -0.958 101.6 45.1-174.7 164.5 -21.3 69.7 61.3 54 155 A G S S+ 0 0 45 -2,-0.3 -3,-0.1 -3,-0.1 0, 0.0 -0.436 94.3 0.3 91.3-163.4 -22.2 68.1 64.5 55 156 A Q + 0 0 77 -2,-0.1 2,-0.3 4,-0.0 -2,-0.2 -0.278 62.7 166.2 -63.2 147.2 -22.1 64.4 65.5 56 157 A A - 0 0 24 1,-0.1 -41,-0.2 -42,-0.1 3,-0.1 -0.958 35.1-144.2-160.9 143.1 -20.9 61.9 63.0 57 158 A D S S+ 0 0 41 -43,-1.8 2,-0.7 -2,-0.3 -42,-0.2 0.924 95.1 44.7 -76.0 -46.0 -19.9 58.3 63.3 58 159 A I E S-b 15 0A 0 -44,-2.2 -42,-2.2 35,-0.1 2,-0.5 -0.889 72.7-168.0-106.2 109.1 -17.2 58.4 60.7 59 160 A M E -b 16 0A 37 -2,-0.7 35,-1.7 -44,-0.2 2,-0.5 -0.890 6.8-160.7 -99.5 124.8 -14.9 61.5 60.9 60 161 A I E +bc 17 94A 0 -44,-3.2 -42,-2.8 -2,-0.5 -41,-0.7 -0.911 18.3 161.9-110.3 129.5 -12.7 62.0 57.9 61 162 A S E - c 0 95A 7 33,-2.0 35,-2.7 -2,-0.5 2,-0.6 -0.982 36.5-134.1-147.8 153.7 -9.6 64.2 58.1 62 163 A F E + c 0 96A 6 -2,-0.3 2,-0.2 33,-0.2 35,-0.2 -0.958 43.8 154.4-108.2 115.8 -6.3 65.0 56.3 63 164 A V E - c 0 97A 31 33,-2.3 35,-3.7 -2,-0.6 36,-0.4 -0.806 27.6-147.0-134.3 176.7 -3.5 65.1 58.8 64 165 A R - 0 0 132 -2,-0.2 33,-0.0 33,-0.2 32,-0.0 -0.977 56.4 -14.1-148.3 153.5 0.3 64.6 58.9 65 166 A G S S+ 0 0 25 -2,-0.3 8,-2.0 7,-0.1 2,-0.6 -0.104 121.0 3.9 53.1-146.3 2.9 63.4 61.4 66 167 A D + 0 0 123 6,-0.3 -2,-0.1 1,-0.1 4,-0.1 -0.591 64.1 171.3 -74.9 115.4 1.6 63.1 65.0 67 168 A H - 0 0 36 -2,-0.6 -1,-0.1 2,-0.2 3,-0.1 -0.155 59.7 -92.9-118.0 40.1 -2.1 64.0 65.1 68 169 A R S S+ 0 0 92 1,-0.2 2,-0.2 2,-0.0 -2,-0.1 0.303 99.9 97.0 71.4 -12.1 -3.0 63.0 68.6 69 170 A D S S- 0 0 17 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 -0.530 90.1-102.1 -93.0-175.4 -4.0 59.5 67.9 70 171 A N S S+ 0 0 163 1,-0.2 -4,-0.0 -2,-0.2 -2,-0.0 0.295 104.3 66.1 -97.7 21.1 -1.6 56.7 68.4 71 172 A S S S- 0 0 51 -6,-0.1 -1,-0.2 11,-0.0 -2,-0.1 -0.676 71.2-166.8-137.0 77.3 -0.5 56.0 64.9 72 173 A P - 0 0 62 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.212 22.3-110.6 -65.3 151.5 1.4 59.1 63.6 73 174 A F - 0 0 16 -8,-2.0 -9,-0.1 1,-0.1 7,-0.1 -0.305 12.8-137.9 -79.6 174.1 2.2 59.5 59.9 74 175 A D - 0 0 77 1,-0.4 -1,-0.1 5,-0.4 6,-0.0 0.049 38.6-109.2-123.1 22.6 5.5 59.3 58.2 75 176 A G S S+ 0 0 14 4,-0.1 -1,-0.4 3,-0.0 24,-0.1 -0.356 79.9 2.3 79.4-164.2 5.8 62.0 55.6 76 177 A P S S- 0 0 105 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.188 119.9 -2.4 -57.9 142.1 5.7 61.2 51.8 77 178 A G S S+ 0 0 23 1,-0.2 -3,-0.3 22,-0.1 2,-0.2 -0.095 97.4 72.4 71.1-170.8 5.3 57.5 50.9 78 179 A G S S+ 0 0 63 -5,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.458 104.2 21.0 66.4-132.3 5.0 54.7 53.3 79 180 A N - 0 0 90 -2,-0.2 -5,-0.4 1,-0.2 3,-0.1 -0.533 63.1-179.6 -70.1 126.3 1.7 54.7 55.1 80 181 A L - 0 0 21 -2,-0.3 17,-2.8 1,-0.3 2,-0.3 0.761 62.9 -20.5 -95.6 -33.4 -0.8 56.8 53.0 81 182 A A E -D 96 0A 14 15,-0.2 -1,-0.3 -19,-0.0 2,-0.3 -0.953 51.9-159.1-164.8 172.1 -3.8 56.4 55.3 82 183 A H E -D 95 0A 27 13,-1.9 13,-3.3 -2,-0.3 2,-0.3 -0.946 5.1-164.8-162.4 148.9 -5.4 54.5 58.2 83 184 A A E -D 94 0A 16 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.969 19.0-122.4-137.2 154.9 -8.9 54.0 59.6 84 185 A F - 0 0 47 9,-2.1 8,-0.4 6,-0.3 40,-0.1 -0.729 27.7-107.0-103.7 149.4 -10.3 52.6 62.8 85 186 A Q - 0 0 66 -2,-0.3 7,-1.1 6,-0.2 8,-0.2 -0.228 57.8 -68.3 -65.7 158.0 -12.8 49.7 63.3 86 187 A P S S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 -0.029 84.2 93.0 -49.6 148.9 -16.4 50.5 64.4 87 188 A G S S- 0 0 25 4,-0.2 -3,-0.0 -3,-0.1 -79,-0.0 -0.881 73.1 -47.4 149.6 179.1 -17.0 51.9 67.9 88 189 A P S > S- 0 0 127 0, 0.0 3,-2.5 0, 0.0 2,-0.2 -0.223 101.8 -2.8 -76.1 168.3 -17.4 55.2 69.7 89 190 A G T 3 S+ 0 0 69 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.335 142.4 11.6 56.8-115.5 -15.1 58.3 69.5 90 191 A I T > S+ 0 0 98 -2,-0.2 3,-2.5 2,-0.1 -6,-0.3 0.671 100.8 118.8 -64.8 -22.6 -12.2 57.4 67.1 91 192 A G T < S+ 0 0 8 -3,-2.5 -4,-0.2 1,-0.3 -32,-0.2 -0.215 83.3 9.4 -48.5 128.4 -14.1 54.2 66.1 92 193 A G T 3 S+ 0 0 0 -7,-1.1 -1,-0.3 -8,-0.4 30,-0.1 0.278 93.7 139.5 85.0 -12.2 -14.8 54.4 62.4 93 194 A D < - 0 0 15 -3,-2.5 -9,-2.1 -8,-0.2 2,-0.5 -0.398 39.7-149.6 -70.7 143.5 -12.6 57.5 61.7 94 195 A A E -cD 60 83A 0 -35,-1.7 -33,-2.0 -11,-0.2 2,-0.5 -0.952 9.3-166.2-117.9 127.2 -10.5 57.7 58.5 95 196 A H E -cD 61 82A 13 -13,-3.3 -13,-1.9 -2,-0.5 2,-0.5 -0.953 2.0-162.0-117.0 130.2 -7.2 59.6 58.4 96 197 A F E -cD 62 81A 0 -35,-2.7 -33,-2.3 -2,-0.5 2,-0.6 -0.906 26.3-116.8-114.4 130.7 -5.3 60.6 55.3 97 198 A D E > -c 63 0A 0 -17,-2.8 3,-1.9 -2,-0.5 -33,-0.2 -0.487 18.2-159.3 -68.0 108.8 -1.7 61.6 55.2 98 199 A E T 3 S+ 0 0 16 -35,-3.7 -34,-0.2 -2,-0.6 -1,-0.2 0.729 86.2 72.8 -61.4 -22.0 -1.6 65.2 54.0 99 200 A D T 3 S+ 0 0 57 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.622 84.3 81.0 -70.8 -11.4 2.1 64.6 53.1 100 201 A E S < S- 0 0 8 -3,-1.9 2,-0.7 -20,-0.2 9,-0.1 -0.494 90.5-115.2 -86.3 161.4 1.0 62.5 50.1 101 202 A R - 0 0 130 7,-0.2 2,-0.4 -2,-0.2 -2,-0.1 -0.913 33.1-151.6 -98.7 114.2 -0.1 64.1 46.9 102 203 A W + 0 0 3 -2,-0.7 8,-0.2 -4,-0.2 2,-0.2 -0.754 20.3 179.9 -91.2 131.9 -3.7 63.1 46.5 103 204 A T B -e 110 0B 9 6,-2.3 8,-2.5 -2,-0.4 9,-0.4 -0.677 39.0-139.5-125.0-179.1 -5.1 62.9 43.0 104 205 A N S S+ 0 0 86 -2,-0.2 2,-0.2 6,-0.2 6,-0.1 -0.039 85.4 40.0-126.9 22.4 -8.2 62.1 40.9 105 206 A N S S- 0 0 74 2,-0.4 -2,-0.1 4,-0.0 38,-0.1 -0.705 109.3 -57.6-148.8-160.9 -6.4 60.2 38.2 106 207 A F S S+ 0 0 147 -2,-0.2 2,-0.2 2,-0.1 3,-0.1 0.641 93.8 109.3 -66.2 -18.8 -3.7 57.6 37.4 107 208 A R S S- 0 0 147 1,-0.2 -2,-0.4 2,-0.1 -4,-0.2 -0.431 90.1 -73.3 -63.2 131.7 -1.1 59.8 39.1 108 209 A E S S+ 0 0 109 -2,-0.2 -7,-0.2 1,-0.2 -1,-0.2 0.068 112.6 25.9 -42.6 127.9 0.0 58.2 42.3 109 210 A Y - 0 0 47 1,-0.2 -6,-2.3 -3,-0.1 2,-0.4 0.871 69.3-164.0 80.2 63.5 -2.2 58.2 45.2 110 211 A N B > -e 103 0B 9 -8,-0.2 4,-1.6 1,-0.2 -6,-0.2 -0.577 13.6-144.6 -66.6 117.9 -5.7 58.5 43.8 111 212 A L H > S+ 0 0 2 -8,-2.5 4,-3.2 -2,-0.4 5,-0.2 0.911 92.7 54.4 -56.4 -49.0 -7.8 59.5 46.7 112 213 A H H > S+ 0 0 33 -9,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.866 107.2 50.6 -55.7 -42.6 -10.9 57.6 45.8 113 214 A R H > S+ 0 0 14 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.893 115.5 42.1 -65.0 -40.6 -9.1 54.2 45.6 114 215 A V H X S+ 0 0 7 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.919 112.6 53.7 -73.6 -39.7 -7.5 54.7 49.0 115 216 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.880 103.5 56.8 -61.0 -40.2 -10.7 56.0 50.5 116 217 A A H X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.896 111.0 44.7 -59.1 -39.4 -12.6 53.0 49.3 117 218 A H H >X S+ 0 0 8 -4,-1.1 3,-1.2 -3,-0.2 4,-1.1 0.960 113.3 46.1 -69.4 -55.9 -10.1 50.8 51.2 118 219 A E H 3X S+ 0 0 17 -4,-2.4 4,-1.8 1,-0.3 -2,-0.2 0.820 108.2 58.4 -59.2 -32.8 -10.0 52.7 54.5 119 220 A L H 3X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.3 0.788 96.0 63.8 -68.4 -23.8 -13.8 53.0 54.5 120 221 A G H X<>S+ 0 0 0 -3,-1.2 5,-2.3 -4,-0.7 3,-0.6 0.944 105.4 45.3 -62.9 -44.5 -13.8 49.2 54.5 121 222 A H H ><5S+ 0 0 18 -4,-1.1 3,-1.5 1,-0.2 -2,-0.2 0.881 105.0 60.0 -63.7 -44.0 -12.0 49.3 57.9 122 223 A S H 3<5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.766 109.3 45.7 -57.1 -26.1 -14.4 52.0 59.2 123 224 A L T <<5S- 0 0 0 -4,-1.1 -115,-0.3 -3,-0.6 -1,-0.3 0.446 131.6 -88.6 -96.6 -4.1 -17.2 49.5 58.6 124 225 A G T < 5S+ 0 0 5 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.2 0.481 78.7 133.4 116.3 -0.1 -15.4 46.5 60.2 125 226 A L < - 0 0 16 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.2 -0.525 36.8-154.1 -85.9 149.7 -13.3 44.8 57.5 126 227 A S - 0 0 91 -2,-0.2 2,-0.1 1,-0.2 -1,-0.0 -0.470 41.3 -65.9-106.6-176.3 -9.7 43.7 58.0 127 228 A H - 0 0 98 -2,-0.2 2,-0.2 1,-0.1 9,-0.2 -0.378 46.4-139.0 -72.0 155.3 -7.1 43.3 55.2 128 229 A S - 0 0 15 7,-1.4 -1,-0.1 2,-0.2 23,-0.0 -0.685 10.6-137.8-107.1 162.3 -7.5 40.6 52.6 129 230 A T S S+ 0 0 141 -2,-0.2 2,-0.7 7,-0.1 7,-0.1 0.337 75.5 104.8-100.1 2.9 -4.7 38.4 51.2 130 231 A D > - 0 0 85 1,-0.1 3,-2.0 2,-0.0 6,-0.2 -0.781 61.5-154.8 -88.2 115.0 -6.0 38.8 47.7 131 232 A I T 3 S+ 0 0 107 -2,-0.7 -1,-0.1 1,-0.3 5,-0.1 0.698 97.3 57.3 -60.5 -15.3 -3.9 41.2 45.6 132 233 A G T 3 S+ 0 0 60 3,-0.0 -1,-0.3 -3,-0.0 2,-0.2 0.545 89.1 94.1 -93.2 -8.9 -7.2 41.7 43.6 133 234 A A S X S- 0 0 2 -3,-2.0 3,-1.3 1,-0.1 14,-0.1 -0.536 76.7-130.3 -84.8 152.4 -9.3 42.9 46.5 134 235 A L T 3 S+ 0 0 8 1,-0.2 -1,-0.1 -2,-0.2 6,-0.1 0.867 108.0 61.6 -64.7 -34.0 -9.9 46.5 47.6 135 236 A M T 3 S+ 0 0 3 -8,-0.1 -7,-1.4 -15,-0.1 -1,-0.2 0.310 73.5 119.3 -78.8 8.8 -9.0 45.5 51.2 136 237 A Y < - 0 0 59 -3,-1.3 -7,-0.1 -9,-0.2 4,-0.1 -0.580 68.9-131.4 -72.2 139.5 -5.5 44.5 50.1 137 238 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.665 79.2 85.2 -66.4 -25.8 -3.0 46.7 52.1 138 239 A S S S- 0 0 62 1,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.605 86.0-109.9 -85.7 142.7 -0.9 47.8 49.1 139 240 A Y + 0 0 50 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.557 48.5 158.7 -72.2 130.3 -1.7 50.6 46.9 140 241 A T - 0 0 54 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.0 -0.973 13.1-178.8-150.0 141.9 -2.8 49.4 43.4 141 242 A F + 0 0 49 -2,-0.3 4,-0.1 1,-0.1 -33,-0.0 -0.964 17.7 172.6-150.2 132.0 -4.8 51.3 40.8 142 243 A S - 0 0 99 2,-0.5 3,-0.1 -2,-0.3 -36,-0.1 0.232 66.5 -91.8-122.6 12.2 -6.1 50.3 37.4 143 244 A G S S+ 0 0 22 -38,-0.1 2,-0.4 1,-0.1 -37,-0.0 -0.107 108.5 68.7 105.2 -39.2 -8.3 53.2 36.5 144 245 A D - 0 0 131 2,-0.0 2,-0.6 -31,-0.0 -2,-0.5 -0.952 64.4-156.3-119.2 136.7 -11.4 51.6 37.9 145 246 A V + 0 0 13 -2,-0.4 2,-0.3 -4,-0.1 -4,-0.0 -0.947 30.7 149.3-115.3 107.7 -12.2 50.9 41.6 146 247 A Q - 0 0 137 -2,-0.6 2,-0.2 -33,-0.0 -12,-0.1 -0.923 48.6 -94.2-132.7 157.1 -14.7 48.2 42.1 147 248 A L - 0 0 28 -2,-0.3 2,-0.2 -108,-0.1 -14,-0.1 -0.532 32.4-135.5 -76.4 138.8 -15.2 45.6 44.9 148 249 A A >> - 0 0 23 -2,-0.2 4,-2.3 1,-0.1 3,-0.7 -0.518 30.3-107.3 -83.5 161.0 -13.7 42.1 44.5 149 250 A Q H 3> S+ 0 0 117 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.881 122.4 60.3 -59.2 -31.9 -15.9 39.2 45.4 150 251 A D H 3> S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.870 106.6 44.0 -61.3 -40.2 -13.7 38.8 48.5 151 252 A D H <> S+ 0 0 2 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.878 114.6 51.4 -71.6 -39.4 -14.7 42.3 49.7 152 253 A I H X S+ 0 0 31 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.922 112.3 43.6 -62.8 -47.8 -18.3 41.6 48.8 153 254 A D H X S+ 0 0 83 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.883 113.8 54.3 -66.4 -37.4 -18.5 38.4 50.7 154 255 A G H X S+ 0 0 25 -4,-1.8 4,-0.6 -5,-0.3 -2,-0.2 0.927 112.5 39.3 -61.8 -50.1 -16.6 40.0 53.6 155 256 A I H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.9 0.897 114.6 53.6 -70.8 -38.2 -19.0 43.0 54.0 156 257 A Q H 3X S+ 0 0 48 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.851 98.0 64.3 -67.8 -29.2 -22.1 40.9 53.5 157 258 A A H 3< S+ 0 0 87 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.789 113.4 35.5 -63.2 -25.4 -21.1 38.4 56.2 158 259 A I H << S+ 0 0 46 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.927 134.4 18.0 -91.6 -55.5 -21.4 41.2 58.6 159 260 A Y H < S- 0 0 30 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.553 99.2-125.4 -97.6 -11.3 -24.4 43.4 57.4 160 261 A G < 0 0 30 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.1 -0.236 360.0 360.0 89.0 177.6 -26.2 41.1 55.0 161 262 A R 0 0 235 -117,-0.2 -117,-0.3 -116,-0.1 -118,-0.1 -0.457 360.0 360.0 -86.3 360.0 -27.2 41.7 51.4