==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-APR-12 4ARE . COMPND 2 MOLECULE: COLLAGENASE G; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM HISTOLYTICUM; . AUTHOR U.ECKHARD,H.BRANDSTETTER . 678 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 487 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 28 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 43.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 4 1 3 1 0 3 0 3 2 2 1 2 1 4 0 1 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 0 1 1 0 2 0 0 0 1 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 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 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 1 110 A N 0 0 151 0, 0.0 2,-0.3 0, 0.0 12,-0.2 0.000 360.0 360.0 360.0 -55.5 -14.7 45.7 18.3 2 111 A L - 0 0 37 10,-1.2 14,-0.3 1,-0.1 3,-0.0 -0.735 360.0-177.6-104.2 146.3 -11.1 44.3 18.1 3 112 A Y + 0 0 188 -2,-0.3 2,-0.3 13,-0.0 -1,-0.1 0.074 63.8 67.6-127.5 22.7 -7.8 46.1 17.6 4 113 A F 0 0 77 0, 0.0 9,-0.0 0, 0.0 -1,-0.0 -0.998 360.0 360.0-144.5 145.2 -5.2 43.2 17.5 5 114 A Q 0 0 115 -2,-0.3 3,-0.2 4,-0.1 -2,-0.0 0.063 360.0 360.0 -37.5 360.0 -4.4 40.3 15.1 6 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 7 117 A T 0 0 132 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 53.8 -2.5 35.9 9.7 8 118 A M - 0 0 104 -3,-0.2 2,-0.5 26,-0.0 26,-0.2 -0.931 360.0-137.8-112.9 146.6 -6.2 35.2 9.5 9 119 A Y B -a 34 0A 37 24,-3.4 26,-2.5 -2,-0.4 2,-0.2 -0.914 8.5-153.5-121.0 127.1 -8.6 38.1 9.9 10 120 A D >> - 0 0 84 -2,-0.5 4,-1.9 24,-0.2 3,-0.5 -0.627 25.4-123.3 -92.3 152.3 -11.9 38.4 11.9 11 121 A F H 3> S+ 0 0 7 24,-0.4 4,-3.4 1,-0.2 5,-0.2 0.857 110.8 61.9 -61.3 -38.9 -14.7 40.8 11.0 12 122 A E H 34 S+ 0 0 62 1,-0.2 -10,-1.2 2,-0.2 4,-0.4 0.871 108.8 44.0 -56.9 -36.1 -14.6 42.4 14.5 13 123 A Y H X> S+ 0 0 44 -3,-0.5 3,-0.8 -12,-0.2 4,-0.5 0.903 114.3 47.5 -73.1 -44.3 -11.0 43.4 13.7 14 124 A L H >< S+ 0 0 4 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.896 105.4 60.5 -65.6 -38.5 -11.7 44.6 10.2 15 125 A N T 3< S+ 0 0 28 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.685 102.2 54.1 -60.1 -23.2 -14.7 46.6 11.5 16 126 A G T <4 S+ 0 0 32 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.603 91.4 92.7 -87.6 -15.7 -12.4 48.6 13.7 17 127 A L S << S- 0 0 23 -3,-1.3 2,-0.2 -4,-0.5 -3,-0.0 -0.332 83.8-104.1 -75.3 158.8 -10.0 49.7 10.9 18 128 A S > - 0 0 55 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.565 35.2-111.4 -73.3 149.2 -10.2 53.0 9.0 19 129 A Y H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.832 119.3 49.6 -52.6 -36.1 -11.6 52.5 5.4 20 130 A T H > S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 112.5 45.0 -73.0 -41.3 -8.2 53.4 4.0 21 131 A E H > S+ 0 0 111 2,-0.2 4,-1.7 3,-0.2 -2,-0.2 0.826 117.1 48.4 -67.5 -31.8 -6.3 50.9 6.3 22 132 A L H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.964 110.8 46.5 -72.2 -56.9 -8.9 48.3 5.5 23 133 A T H X S+ 0 0 21 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.895 114.1 50.2 -55.0 -42.0 -9.0 48.7 1.7 24 134 A N H X S+ 0 0 90 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.931 110.8 48.8 -62.1 -44.3 -5.2 48.6 1.7 25 135 A L H >< S+ 0 0 27 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.950 110.9 50.0 -59.2 -50.1 -5.2 45.5 3.8 26 136 A I H >< S+ 0 0 2 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.893 102.4 63.7 -53.4 -43.6 -7.7 43.8 1.5 27 137 A K H 3< S+ 0 0 55 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.710 110.7 35.7 -57.8 -24.5 -5.6 44.7 -1.6 28 138 A N T << S+ 0 0 103 -3,-1.4 2,-0.3 -4,-0.7 -1,-0.3 0.010 106.7 68.7-129.5 32.8 -2.7 42.5 -0.4 29 139 A I S < S- 0 0 17 -3,-1.4 2,-0.3 46,-0.1 49,-0.2 -0.827 81.3-107.8-124.5 174.8 -4.3 39.5 1.3 30 140 A K > - 0 0 59 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.728 28.5-114.6-100.4 155.9 -6.3 36.6 -0.3 31 141 A W G > S+ 0 0 89 -2,-0.3 3,-1.6 1,-0.3 6,-0.2 0.819 111.8 62.7 -61.2 -32.7 -10.0 36.3 0.2 32 142 A N G 3 S+ 0 0 96 1,-0.3 -1,-0.3 4,-0.1 4,-0.1 0.566 87.5 72.8 -72.5 -8.4 -9.7 33.1 2.2 33 143 A Q G < S+ 0 0 45 -3,-1.8 -24,-3.4 -25,-0.1 2,-0.7 0.525 78.8 86.6 -80.5 -8.7 -7.8 34.9 4.9 34 144 A I B X S-a 9 0A 11 -3,-1.6 3,-1.4 -26,-0.2 2,-0.2 -0.860 84.6-131.0 -94.0 112.3 -11.0 36.6 6.0 35 145 A N T 3 S- 0 0 53 -26,-2.5 -24,-0.4 -2,-0.7 -2,-0.1 -0.437 83.4 -2.3 -70.8 130.0 -12.8 34.3 8.5 36 146 A G T > S+ 0 0 30 -2,-0.2 3,-0.9 -4,-0.1 -1,-0.3 0.740 79.4 156.6 63.4 27.8 -16.4 33.7 7.8 37 147 A L T < S+ 0 0 7 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.846 79.9 32.5 -50.1 -44.1 -16.4 36.0 4.8 38 148 A F T 3 S+ 0 0 53 2,-0.1 2,-0.3 50,-0.1 -1,-0.3 0.453 103.1 97.3 -94.7 -5.0 -19.5 34.3 3.2 39 149 A N S < S- 0 0 111 -3,-0.9 2,-0.6 1,-0.0 5,-0.1 -0.633 75.8-125.6 -82.3 142.9 -21.0 33.4 6.6 40 150 A Y + 0 0 94 -2,-0.3 2,-0.2 4,-0.1 -2,-0.1 -0.821 48.9 142.1 -89.5 120.5 -23.8 35.6 8.0 41 151 A S > - 0 0 46 -2,-0.6 4,-1.1 -5,-0.1 5,-0.0 -0.735 67.5 -95.1-137.3-175.9 -22.9 36.8 11.5 42 152 A T H > S+ 0 0 118 -2,-0.2 4,-1.7 2,-0.2 5,-0.1 0.829 126.7 51.6 -70.3 -34.2 -23.2 39.9 13.7 43 153 A G H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.920 112.2 42.0 -69.6 -46.6 -19.7 40.8 12.6 44 154 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.807 110.5 61.1 -70.1 -29.2 -20.4 40.4 8.9 45 155 A Q H < S+ 0 0 52 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.920 109.8 39.3 -57.1 -46.8 -23.7 42.2 9.5 46 156 A K H < S+ 0 0 56 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.735 112.9 56.1 -81.2 -24.0 -21.8 45.3 10.7 47 157 A F H >< S+ 0 0 3 -4,-1.5 3,-0.6 -5,-0.1 -2,-0.2 0.983 117.3 32.5 -69.7 -61.7 -19.0 45.1 8.1 48 158 A F T 3< S+ 0 0 2 -4,-1.9 3,-0.1 1,-0.2 35,-0.0 -0.399 108.3 58.9 -76.8 168.6 -21.4 45.1 5.1 49 159 A G T 3 S+ 0 0 35 1,-0.2 2,-0.8 -2,-0.1 -1,-0.2 0.321 78.0 99.0 83.8 -18.0 -24.4 47.2 6.0 50 160 A D X> - 0 0 43 -3,-0.6 4,-1.7 1,-0.1 3,-0.7 -0.930 64.0-165.4 -89.6 97.6 -22.1 50.1 6.6 51 161 A K H 3> S+ 0 0 118 -2,-0.8 4,-1.9 1,-0.3 -1,-0.1 0.788 83.3 57.2 -58.6 -32.3 -22.9 51.6 3.1 52 162 A N H 3> S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.849 105.6 50.0 -66.1 -39.0 -19.9 53.9 3.4 53 163 A R H <> S+ 0 0 16 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.886 111.3 46.3 -69.7 -41.2 -17.5 51.0 3.9 54 164 A V H X S+ 0 0 3 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.913 112.4 51.7 -69.9 -36.8 -18.7 48.9 1.0 55 165 A Q H X S+ 0 0 64 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.838 107.3 54.1 -65.9 -31.7 -18.6 52.1 -1.2 56 166 A A H X S+ 0 0 17 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.904 110.1 46.4 -62.9 -41.7 -15.0 52.5 0.1 57 167 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.919 110.3 52.2 -68.1 -46.7 -14.2 49.0 -1.1 58 168 A I H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.899 110.5 49.8 -51.7 -45.0 -15.9 49.6 -4.5 59 169 A N H X S+ 0 0 84 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.906 108.6 51.0 -65.6 -42.6 -13.7 52.7 -4.8 60 170 A A H X S+ 0 0 17 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.922 110.1 50.9 -59.3 -44.8 -10.5 50.8 -4.0 61 171 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.905 107.9 52.4 -56.2 -46.3 -11.5 48.2 -6.7 62 172 A Q H X S+ 0 0 73 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.881 109.5 49.4 -59.9 -39.5 -12.0 51.0 -9.2 63 173 A E H X S+ 0 0 92 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.828 110.2 50.7 -68.6 -34.9 -8.6 52.4 -8.4 64 174 A S H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 3,-0.3 0.881 107.9 53.2 -67.2 -40.9 -7.1 48.9 -8.9 65 175 A G H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 53,-0.2 0.866 110.5 48.1 -61.0 -37.1 -8.9 48.5 -12.2 66 176 A R H < S+ 0 0 150 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.772 123.3 30.9 -71.7 -28.0 -7.3 51.8 -13.3 67 177 A T H < S+ 0 0 41 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.393 81.7 121.8-119.2 -0.5 -3.8 50.9 -12.2 68 178 A Y < - 0 0 2 -4,-1.7 52,-0.3 5,-0.1 2,-0.2 -0.374 41.2-158.3 -72.5 148.9 -3.2 47.1 -12.5 69 179 A T - 0 0 68 3,-1.8 3,-0.4 50,-0.1 -1,-0.1 -0.638 34.6 -96.1-116.2 175.3 -0.4 45.7 -14.7 70 180 A A S S+ 0 0 37 1,-0.2 57,-0.4 -2,-0.2 58,-0.4 0.814 125.4 36.2 -62.6 -32.0 0.3 42.4 -16.4 71 181 A N S S+ 0 0 91 1,-0.2 2,-0.4 56,-0.1 -1,-0.2 0.507 117.7 53.2 -98.8 -6.9 2.5 41.2 -13.5 72 182 A D - 0 0 81 -3,-0.4 -3,-1.8 1,-0.1 -1,-0.2 -0.980 55.3-167.0-138.5 122.3 0.5 42.8 -10.6 73 183 A M > - 0 0 32 -2,-0.4 3,-1.7 -5,-0.2 -5,-0.1 0.541 29.6-137.7 -88.5 -7.1 -3.2 42.3 -9.9 74 184 A K T 3 - 0 0 48 1,-0.3 -46,-0.1 -7,-0.1 -7,-0.1 0.833 64.5 -68.8 54.4 32.2 -3.5 45.2 -7.4 75 185 A G T 3> S+ 0 0 8 1,-0.1 4,-2.2 3,-0.1 -1,-0.3 0.726 90.2 145.5 61.5 28.0 -5.7 42.8 -5.3 76 186 A I H <> + 0 0 1 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.847 69.6 51.9 -65.3 -35.8 -8.6 42.8 -7.7 77 187 A E H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.951 111.0 45.1 -63.4 -51.0 -9.5 39.2 -7.0 78 188 A T H > S+ 0 0 6 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.904 113.8 51.2 -67.2 -37.1 -9.7 39.6 -3.2 79 189 A F H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.943 110.2 48.8 -57.5 -51.2 -11.7 42.9 -3.7 80 190 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.883 109.9 51.4 -61.7 -40.1 -14.2 41.2 -6.0 81 191 A E H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.866 108.0 52.2 -65.1 -37.4 -14.7 38.3 -3.6 82 192 A V H X S+ 0 0 4 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.927 113.4 44.1 -63.8 -44.4 -15.4 40.6 -0.6 83 193 A L H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.894 110.9 54.2 -66.7 -41.9 -18.0 42.4 -2.7 84 194 A R H X S+ 0 0 58 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.933 107.0 51.3 -55.6 -48.0 -19.5 39.1 -3.9 85 195 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.892 108.8 54.2 -55.0 -41.7 -19.8 38.0 -0.3 86 196 A G H X S+ 0 0 3 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.957 112.2 39.5 -55.7 -56.3 -21.6 41.3 0.3 87 197 A F H X S+ 0 0 7 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.802 116.1 53.8 -69.2 -30.2 -24.2 40.9 -2.4 88 198 A Y H X S+ 0 0 111 -4,-2.6 4,-1.7 -5,-0.2 3,-0.3 0.952 110.1 44.8 -64.9 -54.1 -24.6 37.2 -1.5 89 199 A L H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 7,-0.2 0.848 112.2 54.8 -60.3 -34.6 -25.2 37.8 2.2 90 200 A G H < S+ 0 0 4 -4,-1.9 10,-0.3 -5,-0.2 -1,-0.2 0.822 105.5 51.0 -70.3 -34.6 -27.7 40.6 1.2 91 201 A Y H < S+ 0 0 173 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.875 121.4 33.6 -65.6 -40.1 -29.7 38.3 -1.1 92 202 A Y H < S+ 0 0 72 -4,-1.7 2,-0.6 1,-0.2 -2,-0.2 0.764 114.4 60.0 -90.5 -27.0 -30.1 35.7 1.7 93 203 A N >< - 0 0 40 -4,-2.7 3,-1.8 -5,-0.2 -1,-0.2 -0.890 68.7-142.0-119.2 115.5 -30.2 37.9 4.9 94 204 A D T 3 S+ 0 0 141 -2,-0.6 -3,-0.1 1,-0.2 -2,-0.0 -0.443 92.5 53.5 -61.7 139.1 -32.7 40.6 5.7 95 205 A G T 3 S+ 0 0 45 -5,-0.1 -1,-0.2 -2,-0.1 3,-0.1 -0.022 108.0 53.7 112.0 -28.3 -30.8 43.4 7.4 96 206 A L S X> S+ 0 0 0 -3,-1.8 3,-1.4 -7,-0.2 4,-0.5 -0.098 73.5 125.0-114.9 29.6 -28.4 43.6 4.5 97 207 A S G >4 + 0 0 57 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.759 57.6 69.8 -61.0 -30.4 -31.4 44.0 2.1 98 208 A Y G >4 S+ 0 0 45 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.754 92.2 59.9 -62.5 -26.1 -30.1 47.2 0.6 99 209 A L G <4 S+ 0 0 4 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.804 95.3 62.1 -71.9 -30.4 -27.3 45.2 -1.1 100 210 A N G << S+ 0 0 80 -3,-0.9 2,-0.4 -4,-0.5 -1,-0.2 0.574 82.8 105.9 -67.9 -10.3 -29.9 43.1 -3.0 101 211 A D X> - 0 0 82 -3,-0.8 4,-2.0 -4,-0.3 3,-1.4 -0.605 68.9-143.2 -80.8 127.0 -31.1 46.4 -4.7 102 212 A R H 3> S+ 0 0 54 -2,-0.4 4,-2.2 1,-0.3 -1,-0.1 0.879 100.1 61.5 -55.5 -42.9 -30.1 46.8 -8.4 103 213 A N H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.789 109.1 43.0 -55.3 -30.8 -29.6 50.5 -7.9 104 214 A F H X4 S+ 0 0 34 -3,-1.4 3,-2.0 -6,-0.2 -1,-0.2 0.877 108.0 56.9 -81.0 -41.4 -26.9 49.8 -5.4 105 215 A Q H >< S+ 0 0 20 -4,-2.0 3,-2.1 1,-0.3 38,-0.4 0.850 95.4 68.2 -56.8 -33.8 -25.2 47.0 -7.4 106 216 A D G >< S+ 0 0 57 -4,-2.2 3,-1.3 1,-0.3 -1,-0.3 0.659 79.1 79.7 -62.2 -17.1 -24.8 49.5 -10.2 107 217 A K G < S+ 0 0 39 -3,-2.0 4,-0.3 1,-0.3 -1,-0.3 0.651 87.2 59.0 -64.5 -15.6 -22.3 51.3 -8.0 108 218 A C G X> S+ 0 0 0 -3,-2.1 4,-2.3 -4,-0.2 3,-0.7 0.671 83.3 82.2 -83.2 -17.8 -19.8 48.6 -9.1 109 219 A I H <> S+ 0 0 15 -3,-1.3 4,-3.4 1,-0.3 5,-0.3 0.901 86.5 54.5 -59.8 -44.3 -20.1 49.5 -12.8 110 220 A P H 3> S+ 0 0 59 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.864 110.5 49.1 -53.4 -35.5 -17.6 52.4 -12.6 111 221 A A H <> S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.3 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N H << S+ 0 0 36 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.712 131.7 28.4 -97.9 -27.2 -23.5 38.9 -8.1 142 252 A A S < S- 0 0 1 -4,-2.9 2,-0.3 -5,-0.1 -3,-0.2 0.527 98.9 -78.5-100.7-114.4 -23.6 42.7 -8.9 143 253 A S - 0 0 8 -38,-0.4 2,-0.3 -37,-0.0 -1,-0.1 -0.965 27.0-166.0-153.5 157.1 -24.7 44.2 -12.1 144 254 A A - 0 0 4 -2,-0.3 2,-0.2 39,-0.1 -38,-0.1 -0.922 8.2-158.0-137.5 167.2 -23.7 45.0 -15.7 145 255 A N > - 0 0 46 -2,-0.3 4,-1.9 -36,-0.1 5,-0.2 -0.762 44.6 -85.2-130.4-178.2 -25.1 47.3 -18.4 146 256 A A H > S+ 0 0 18 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.844 123.2 59.1 -60.3 -31.5 -24.8 47.3 -22.2 147 257 A E H > S+ 0 0 111 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.933 108.5 40.9 -65.3 -48.8 -21.6 49.3 -22.0 148 258 A V H 4 S+ 0 0 0 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.873 114.8 54.0 -68.6 -36.5 -19.6 46.8 -19.9 149 259 A V H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 4,-0.2 0.937 109.7 45.4 -62.1 -49.7 -21.1 43.9 -21.9 150 260 A N H >< S+ 0 0 39 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.724 102.7 67.1 -68.2 -20.8 -20.0 45.4 -25.2 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0.944 118.5 49.3 -62.5 -50.2 -20.2 35.2 -20.4 181 291 A K H X S+ 0 0 63 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.878 110.9 50.8 -60.3 -41.6 -22.0 33.1 -17.6 182 292 A G H X S+ 0 0 7 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.931 110.9 47.3 -60.4 -49.4 -21.8 35.9 -15.1 183 293 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.900 113.7 48.0 -59.9 -43.6 -23.3 38.5 -17.5 184 294 A E H X S+ 0 0 27 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.875 108.5 54.1 -68.2 -37.5 -26.1 36.1 -18.5 185 295 A F H X S+ 0 0 131 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.895 113.0 43.8 -61.2 -41.9 -26.9 35.3 -14.9 186 296 A D H X S+ 0 0 16 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.941 116.2 45.3 -68.5 -48.6 -27.3 39.0 -14.1 187 297 A F H X S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 5,-0.2 0.922 115.3 45.6 -66.2 -44.9 -29.3 39.8 -17.2 188 298 A S H X S+ 0 0 40 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.862 112.4 54.5 -66.8 -33.4 -31.7 36.8 -16.9 189 299 A G H < S+ 0 0 49 -4,-1.5 3,-0.3 -5,-0.3 -2,-0.2 0.937 115.4 37.5 -60.4 -49.3 -32.0 37.7 -13.2 190 300 A A H < S+ 0 0 48 -4,-2.7 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A R H <5S+ 0 0 36 -4,-1.8 -73,-2.6 -5,-0.2 -72,-0.3 0.844 133.1 18.0 -81.4 -38.8 -41.1 -10.8 -18.8 423 533 A Y H <5S+ 0 0 17 -4,-2.7 -3,-0.2 -5,-0.2 -76,-0.2 0.576 128.6 28.8-116.9 -12.0 -40.9 -14.2 -17.2 424 534 A L T <5S+ 0 0 1 -4,-1.9 2,-0.7 -5,-0.5 -3,-0.2 0.780 104.9 53.7-120.9 -49.4 -40.2 -14.0 -13.5 425 535 A V S S- 0 0 115 3,-0.4 3,-2.4 1,-0.1 -2,-0.0 -0.584 82.9 -88.0 -88.6 141.1 -44.1 -3.4 -13.6 429 539 A W T 3 S- 0 0 67 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.167 107.1 -8.0 -54.9 118.8 -40.3 -3.6 -13.4 430 540 A G T 3 S+ 0 0 29 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.539 114.9 93.9 75.6 8.9 -39.1 -2.6 -9.9 431 541 A Q < + 0 0 149 -3,-2.4 -3,-0.4 5,-0.0 -2,-0.1 -0.397 63.5 79.3-135.2 54.8 -42.6 -1.4 -8.8 432 542 A G S >> S- 0 0 16 -5,-0.1 3,-2.8 0, 0.0 4,-0.7 -0.811 98.1 -65.1-141.4-173.1 -44.3 -4.3 -7.0 433 543 A P G >4 S+ 0 0 52 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.786 126.3 61.6 -45.2 -37.9 -44.3 -6.1 -3.6 434 544 A F G 34>S+ 0 0 6 1,-0.2 6,-0.7 2,-0.1 5,-0.6 0.477 108.9 42.0 -76.0 -1.9 -40.7 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