REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mi1_1_B DATA FIRST_RESID 2140 DATA SEQUENCE GPVVLSTPAQ LIAPVVVAKG TLSITTTEIY FEVDEDDSAF KKIDTKVLAY DATA SEQUENCE TEGLHGKWXF SEIRAVFSRR YLLQNTALEV FXANRTSVXF NFPDQATVKK DATA SEQUENCE VVYSLPRVGV GTSYGLPQAR RISLATPRQL YKSSNXTQRW QRREISNFEY DATA SEQUENCE LXFLNTIAGR TYNDLNQYPV FPWVLTNYES EELDLTLPGN FRDLSKPIGA DATA SEQUENCE LNPKRAVFYA ERYETWEDDQ SPPYHYNTHY STATSTLSWL VRIEPFTTFF DATA SEQUENCE LNANDGKFDH PDRTFSSVAR SWRTSQRDTS DVKELIPEFY YLPEXFVNSX DATA SEQUENCE XXXXXXXXXX XXXNDVDLPP WAKKPEDFVR INRXALESEF VSCQLHQWID DATA SEQUENCE LIFGYKQRGP EAVRALNVFH YLTYEGSVNL DSITDPVLRE AXEAQIQNFG DATA SEQUENCE QTPSQLLIEP HPPR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2140 G HA2 0.000 nan 3.960 nan 0.000 0.244 2140 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 2140 G C 0.000 174.920 174.900 0.033 0.000 0.946 2140 G CA 0.000 45.116 45.100 0.026 0.000 0.502 2141 P HA 0.587 nan 4.420 nan 0.000 0.280 2141 P C -0.481 176.840 177.300 0.036 0.000 1.244 2141 P CA -0.174 62.940 63.100 0.022 0.000 0.784 2141 P CB 2.235 33.944 31.700 0.015 0.000 0.913 2142 V N 3.897 123.837 119.914 0.043 0.000 2.439 2142 V HA -0.048 4.072 4.120 0.000 0.000 0.271 2142 V C 1.767 177.894 176.094 0.054 0.000 1.040 2142 V CA 0.059 62.396 62.300 0.061 0.000 1.002 2142 V CB 0.997 32.855 31.823 0.059 0.000 1.000 2142 V HN 0.392 nan 8.190 nan 0.000 0.477 2143 V N 5.548 125.502 119.914 0.065 0.000 2.649 2143 V HA 0.157 4.277 4.120 0.000 0.000 0.248 2143 V C 0.441 176.575 176.094 0.066 0.000 1.054 2143 V CA 1.156 63.495 62.300 0.065 0.000 1.073 2143 V CB -0.074 31.800 31.823 0.084 0.000 0.699 2143 V HN 0.687 nan 8.190 nan 0.000 0.463 2144 L N -0.678 120.591 121.223 0.077 0.000 2.565 2144 L HA 0.646 4.986 4.340 0.000 0.000 0.261 2144 L C -1.131 175.786 176.870 0.079 0.000 0.932 2144 L CA -0.064 54.816 54.840 0.068 0.000 0.878 2144 L CB 2.201 44.297 42.059 0.062 0.000 1.333 2144 L HN -0.048 nan 8.230 nan 0.000 0.409 2145 S N 2.499 118.240 115.700 0.068 0.000 2.538 2145 S HA 0.865 5.335 4.470 0.000 0.000 0.288 2145 S C -1.020 173.628 174.600 0.080 0.000 1.108 2145 S CA 0.047 58.292 58.200 0.076 0.000 0.971 2145 S CB 1.840 65.074 63.200 0.057 0.000 1.041 2145 S HN 0.912 nan 8.310 nan 0.000 0.483 2146 T N 3.773 118.391 114.554 0.107 0.000 2.885 2146 T HA 0.646 4.996 4.350 0.000 0.000 0.322 2146 T C -3.242 171.544 174.700 0.143 0.000 1.387 2146 T CA -1.277 60.901 62.100 0.130 0.000 1.041 2146 T CB 1.503 70.480 68.868 0.182 0.000 1.287 2146 T HN 0.383 nan 8.240 nan 0.000 0.491 2147 P HA 0.614 nan 4.420 nan 0.000 0.271 2147 P C -1.242 176.131 177.300 0.122 0.000 1.216 2147 P CA -0.098 63.063 63.100 0.102 0.000 0.776 2147 P CB 0.914 32.662 31.700 0.081 0.000 0.881 2148 A N 2.338 125.215 122.820 0.095 0.000 2.586 2148 A HA 0.556 4.876 4.320 0.000 0.000 0.290 2148 A C -1.780 175.834 177.584 0.049 0.000 1.086 2148 A CA -0.608 51.397 52.037 -0.055 0.000 0.665 2148 A CB 1.224 20.042 19.000 -0.302 0.000 1.279 2148 A HN 0.475 nan 8.150 nan 0.000 0.423 2149 Q N 0.347 120.073 119.800 -0.123 0.000 2.330 2149 Q HA 0.518 4.859 4.340 0.000 0.000 0.269 2149 Q C -1.090 174.724 176.000 -0.309 0.000 1.022 2149 Q CA -0.877 54.862 55.803 -0.106 0.000 0.796 2149 Q CB 2.597 31.245 28.738 -0.151 0.000 1.271 2149 Q HN 0.670 nan 8.270 nan 0.000 0.450 2150 L N 3.613 124.608 121.223 -0.380 0.000 2.410 2150 L HA 0.200 4.541 4.340 0.000 0.000 0.273 2150 L C -1.000 175.583 176.870 -0.478 0.000 1.144 2150 L CA 0.286 54.721 54.840 -0.675 0.000 0.863 2150 L CB 0.391 42.072 42.059 -0.631 0.000 1.140 2150 L HN 0.536 nan 8.230 nan 0.000 0.463 2151 I N 6.467 126.701 120.570 -0.560 0.000 2.347 2151 I HA 0.444 4.615 4.170 0.000 0.000 0.283 2151 I C 0.460 176.382 176.117 -0.326 0.000 1.058 2151 I CA -0.295 60.744 61.300 -0.434 0.000 1.202 2151 I CB -0.013 37.696 38.000 -0.484 0.000 1.386 2151 I HN 0.766 nan 8.210 nan 0.000 0.475 2152 A N 8.100 130.791 122.820 -0.215 0.000 2.281 2152 A HA 0.748 5.068 4.320 0.000 0.000 0.329 2152 A C -1.628 175.920 177.584 -0.060 0.000 1.122 2152 A CA -1.529 50.428 52.037 -0.133 0.000 0.850 2152 A CB 0.584 19.531 19.000 -0.087 0.000 1.207 2152 A HN 0.437 nan 8.150 nan 0.000 0.495 2153 P HA -0.149 nan 4.420 nan 0.000 0.219 2153 P C 0.455 177.782 177.300 0.045 0.000 1.149 2153 P CA 1.903 65.069 63.100 0.111 0.000 0.835 2153 P CB 0.248 32.048 31.700 0.167 0.000 0.778 2154 V N -2.079 117.789 119.914 -0.076 0.000 4.337 2154 V HA 0.164 4.285 4.120 0.000 0.000 0.689 2154 V C -0.882 175.061 176.094 -0.252 0.000 2.062 2154 V CA -0.213 61.918 62.300 -0.281 0.000 2.964 2154 V CB 0.828 32.374 31.823 -0.462 0.000 1.062 2154 V HN -0.340 nan 8.190 nan 0.000 0.630 2155 V N 0.296 120.146 119.914 -0.106 0.000 2.932 2155 V HA 0.644 4.765 4.120 0.000 0.000 0.307 2155 V C -0.939 175.136 176.094 -0.031 0.000 1.147 2155 V CA -0.602 61.683 62.300 -0.024 0.000 0.951 2155 V CB 2.550 34.394 31.823 0.034 0.000 1.031 2155 V HN -0.022 nan 8.190 nan 0.000 0.426 2156 V N 3.177 123.101 119.914 0.016 0.000 2.462 2156 V HA 0.835 4.956 4.120 0.000 0.000 0.288 2156 V C -0.086 176.031 176.094 0.039 0.000 1.020 2156 V CA -0.336 61.948 62.300 -0.027 0.000 0.857 2156 V CB 1.544 33.374 31.823 0.011 0.000 1.013 2156 V HN 1.035 nan 8.190 nan 0.000 0.431 2157 A N 4.883 127.715 122.820 0.020 0.000 2.371 2157 A HA 0.807 5.127 4.320 0.000 0.000 0.311 2157 A C -0.344 177.276 177.584 0.060 0.000 1.068 2157 A CA -0.813 51.254 52.037 0.049 0.000 0.744 2157 A CB 1.269 20.275 19.000 0.010 0.000 1.239 2157 A HN 0.726 nan 8.150 nan 0.000 0.435 2158 K N 0.609 121.022 120.400 0.022 0.000 2.202 2158 K HA 0.606 4.926 4.320 0.000 0.000 0.264 2158 K C 0.479 177.078 176.600 -0.002 0.000 1.010 2158 K CA 0.584 56.899 56.287 0.046 0.000 0.940 2158 K CB 1.206 33.718 32.500 0.020 0.000 0.983 2158 K HN 1.020 nan 8.250 nan 0.000 0.475 2159 G N 0.053 108.875 108.800 0.037 0.000 2.428 2159 G HA2 0.216 4.176 3.960 0.000 0.000 0.304 2159 G HA3 0.216 4.176 3.960 0.000 0.000 0.304 2159 G C -1.486 173.326 174.900 -0.146 0.000 1.303 2159 G CA -0.694 44.257 45.100 -0.249 0.000 0.825 2159 G HN 0.391 nan 8.290 nan 0.000 0.484 2160 T N 0.607 114.964 114.554 -0.328 0.000 2.797 2160 T HA 0.588 4.938 4.350 0.000 0.000 0.279 2160 T C -0.495 174.195 174.700 -0.018 0.000 0.991 2160 T CA -0.239 61.799 62.100 -0.103 0.000 0.979 2160 T CB 1.467 70.278 68.868 -0.096 0.000 0.943 2160 T HN 0.606 nan 8.240 nan 0.000 0.444 2161 L N 2.823 124.137 121.223 0.151 0.000 2.280 2161 L HA 0.620 4.961 4.340 0.000 0.000 0.287 2161 L C -0.480 176.478 176.870 0.146 0.000 1.023 2161 L CA -0.220 54.737 54.840 0.195 0.000 0.819 2161 L CB 1.033 43.128 42.059 0.059 0.000 1.212 2161 L HN 0.531 nan 8.230 nan 0.000 0.420 2162 S N 6.323 122.134 115.700 0.186 0.000 2.474 2162 S HA 0.571 5.041 4.470 0.000 0.000 0.321 2162 S C -0.370 174.366 174.600 0.227 0.000 1.080 2162 S CA -0.549 57.764 58.200 0.189 0.000 1.106 2162 S CB 1.004 64.317 63.200 0.189 0.000 0.984 2162 S HN 0.378 nan 8.310 nan 0.000 0.464 2163 I N 3.235 123.909 120.570 0.173 0.000 2.312 2163 I HA 0.270 4.441 4.170 0.000 0.000 0.290 2163 I C 1.173 177.380 176.117 0.149 0.000 1.008 2163 I CA -0.096 61.315 61.300 0.185 0.000 1.226 2163 I CB 0.803 38.913 38.000 0.183 0.000 1.371 2163 I HN 0.543 nan 8.210 nan 0.000 0.468 2164 T N 3.433 118.039 114.554 0.087 0.000 3.753 2164 T HA 0.095 4.445 4.350 0.000 0.000 0.299 2164 T C 1.110 175.772 174.700 -0.063 0.000 1.202 2164 T CA 0.538 62.649 62.100 0.019 0.000 0.945 2164 T CB 0.911 69.781 68.868 0.002 0.000 2.279 2164 T HN 0.656 nan 8.240 nan 0.000 0.509 2165 T N -0.465 113.976 114.554 -0.190 0.000 3.040 2165 T HA 0.246 4.596 4.350 0.000 0.000 0.266 2165 T C 0.936 175.320 174.700 -0.528 0.000 1.005 2165 T CA 0.887 62.875 62.100 -0.187 0.000 0.906 2165 T CB -0.217 68.605 68.868 -0.076 0.000 1.082 2165 T HN 0.749 nan 8.240 nan 0.000 0.531 2166 T N -1.769 112.234 114.554 -0.918 0.000 3.252 2166 T HA 0.376 4.726 4.350 0.000 0.000 0.295 2166 T C -0.258 173.673 174.700 -1.282 0.000 0.897 2166 T CA -0.501 60.919 62.100 -1.133 0.000 0.905 2166 T CB 0.509 69.130 68.868 -0.411 0.000 1.202 2166 T HN 0.369 nan 8.240 nan 0.000 0.592 2167 E N 0.572 120.101 120.200 -1.118 0.000 2.430 2167 E HA 0.696 5.046 4.350 0.000 0.000 0.279 2167 E C -1.654 174.858 176.600 -0.147 0.000 1.003 2167 E CA -0.923 55.197 56.400 -0.466 0.000 0.801 2167 E CB 1.661 31.077 29.700 -0.474 0.000 1.313 2167 E HN 0.205 nan 8.360 nan 0.000 0.459 2168 I N 1.772 122.400 120.570 0.097 0.000 2.378 2168 I HA 0.394 4.564 4.170 0.000 0.000 0.291 2168 I C -1.022 175.194 176.117 0.165 0.000 0.992 2168 I CA -0.713 60.718 61.300 0.219 0.000 1.154 2168 I CB 0.725 38.937 38.000 0.354 0.000 1.315 2168 I HN 0.444 nan 8.210 nan 0.000 0.448 2169 Y N 5.396 125.870 120.300 0.291 0.000 2.509 2169 Y HA 0.575 5.126 4.550 0.000 0.000 0.341 2169 Y C -0.672 175.435 175.900 0.344 0.000 1.038 2169 Y CA -0.810 57.447 58.100 0.262 0.000 1.089 2169 Y CB 2.445 40.980 38.460 0.125 0.000 1.241 2169 Y HN 0.399 nan 8.280 nan 0.000 0.468 2170 F N 2.138 122.316 119.950 0.380 0.000 2.630 2170 F HA 0.412 4.939 4.527 0.000 0.000 0.325 2170 F C -1.507 174.391 175.800 0.164 0.000 1.184 2170 F CA -0.648 57.513 58.000 0.267 0.000 1.011 2170 F CB 1.250 40.520 39.000 0.450 0.000 1.268 2170 F HN 0.362 nan 8.300 nan 0.000 0.480 2171 E N 5.667 125.451 120.200 -0.694 0.000 2.216 2171 E HA 0.373 4.723 4.350 0.000 0.000 0.260 2171 E C -0.678 175.380 176.600 -0.902 0.000 0.880 2171 E CA -0.578 55.480 56.400 -0.572 0.000 0.765 2171 E CB 2.209 31.759 29.700 -0.251 0.000 1.174 2171 E HN 0.532 nan 8.360 nan 0.000 0.417 2172 V N 0.124 119.542 119.914 -0.826 0.000 3.139 2172 V HA 0.119 4.239 4.120 0.000 0.000 0.307 2172 V C 0.639 176.426 176.094 -0.512 0.000 1.095 2172 V CA -0.505 61.361 62.300 -0.722 0.000 1.160 2172 V CB 0.742 32.054 31.823 -0.852 0.000 1.003 2172 V HN 0.488 nan 8.190 nan 0.000 0.489 2173 D N 1.847 121.985 120.400 -0.437 0.000 2.422 2173 D HA 0.157 4.797 4.640 0.000 0.000 0.227 2173 D C 1.035 177.221 176.300 -0.189 0.000 1.190 2173 D CA -0.030 53.828 54.000 -0.236 0.000 0.905 2173 D CB 0.823 41.539 40.800 -0.140 0.000 1.034 2173 D HN 0.755 nan 8.370 nan 0.000 0.507 2174 E N 1.586 121.757 120.200 -0.048 0.000 2.338 2174 E HA -0.128 4.222 4.350 0.000 0.000 0.197 2174 E C 0.631 177.384 176.600 0.255 0.000 1.007 2174 E CA 0.595 57.157 56.400 0.269 0.000 0.849 2174 E CB 0.403 30.273 29.700 0.284 0.000 0.774 2174 E HN 0.476 nan 8.360 nan 0.000 0.506 2175 D N 1.100 121.570 120.400 0.118 0.000 2.347 2175 D HA -0.077 4.563 4.640 0.000 0.000 0.215 2175 D C 0.619 176.982 176.300 0.105 0.000 0.976 2175 D CA 0.475 54.532 54.000 0.095 0.000 0.884 2175 D CB -0.167 40.663 40.800 0.048 0.000 0.915 2175 D HN 0.167 nan 8.370 nan 0.000 0.526 2176 D N 0.728 121.203 120.400 0.124 0.000 2.419 2176 D HA -0.058 4.582 4.640 0.000 0.000 0.236 2176 D C 1.365 177.760 176.300 0.160 0.000 1.165 2176 D CA 0.235 54.310 54.000 0.124 0.000 0.882 2176 D CB 1.374 42.245 40.800 0.118 0.000 1.201 2176 D HN 0.015 nan 8.370 nan 0.000 0.443 2177 S N 3.218 118.987 115.700 0.115 0.000 2.336 2177 S HA -0.072 4.399 4.470 0.000 0.000 0.216 2177 S C 2.184 176.848 174.600 0.107 0.000 1.032 2177 S CA 0.847 59.103 58.200 0.093 0.000 0.973 2177 S CB -0.670 62.568 63.200 0.064 0.000 0.888 2177 S HN 0.614 nan 8.310 nan 0.000 0.455 2178 A N 1.911 124.801 122.820 0.118 0.000 1.896 2178 A HA -0.120 4.201 4.320 0.000 0.000 0.220 2178 A C 2.008 179.692 177.584 0.167 0.000 1.206 2178 A CA 2.058 54.169 52.037 0.125 0.000 0.647 2178 A CB -1.485 17.593 19.000 0.129 0.000 0.828 2178 A HN 0.560 nan 8.150 nan 0.000 0.455 2179 F N 0.884 120.861 119.950 0.045 0.000 2.043 2179 F HA -0.223 4.305 4.527 0.000 0.000 0.297 2179 F C 2.136 177.964 175.800 0.046 0.000 1.121 2179 F CA 2.340 60.368 58.000 0.047 0.000 1.199 2179 F CB -0.506 38.519 39.000 0.041 0.000 0.968 2179 F HN 0.204 nan 8.300 nan 0.000 0.478 2180 K N -0.064 120.313 120.400 -0.039 0.000 2.281 2180 K HA -0.188 4.133 4.320 0.000 0.000 0.203 2180 K C 1.827 178.359 176.600 -0.114 0.000 1.046 2180 K CA 1.456 57.660 56.287 -0.138 0.000 0.938 2180 K CB -0.176 32.316 32.500 -0.013 0.000 0.737 2180 K HN 0.356 nan 8.250 nan 0.000 0.458 2181 K N 0.421 120.790 120.400 -0.051 0.000 2.365 2181 K HA 0.089 4.410 4.320 0.000 0.000 0.197 2181 K C 0.500 177.079 176.600 -0.034 0.000 1.042 2181 K CA 0.216 56.488 56.287 -0.026 0.000 0.987 2181 K CB 0.187 32.696 32.500 0.015 0.000 0.779 2181 K HN 0.106 nan 8.250 nan 0.000 0.484 2182 I N 2.485 123.013 120.570 -0.071 0.000 2.556 2182 I HA -0.051 4.119 4.170 0.000 0.000 0.284 2182 I C 0.499 176.580 176.117 -0.059 0.000 1.114 2182 I CA -0.502 60.776 61.300 -0.036 0.000 1.418 2182 I CB 0.254 38.236 38.000 -0.030 0.000 1.394 2182 I HN 0.055 nan 8.210 nan 0.000 0.552 2183 D N 4.580 124.985 120.400 0.008 0.000 2.506 2183 D HA -0.054 4.586 4.640 0.000 0.000 0.234 2183 D C 1.095 177.399 176.300 0.005 0.000 1.143 2183 D CA 0.381 54.387 54.000 0.010 0.000 0.871 2183 D CB 1.148 41.977 40.800 0.048 0.000 1.190 2183 D HN 0.549 nan 8.370 nan 0.000 0.459 2184 T N 3.001 117.552 114.554 -0.005 0.000 2.788 2184 T HA -0.168 4.183 4.350 0.000 0.000 0.268 2184 T C 1.599 176.328 174.700 0.048 0.000 1.044 2184 T CA 1.293 63.394 62.100 0.001 0.000 1.139 2184 T CB -0.072 68.791 68.868 -0.007 0.000 0.867 2184 T HN 0.322 nan 8.240 nan 0.000 0.454 2185 K N 1.300 121.748 120.400 0.080 0.000 2.057 2185 K HA -0.000 4.320 4.320 0.000 0.000 0.207 2185 K C 2.041 178.784 176.600 0.239 0.000 1.049 2185 K CA 1.039 57.421 56.287 0.158 0.000 0.931 2185 K CB -0.890 31.699 32.500 0.149 0.000 0.714 2185 K HN 0.176 nan 8.250 nan 0.000 0.440 2186 V N 1.009 121.025 119.914 0.170 0.000 2.358 2186 V HA -0.207 3.914 4.120 0.000 0.000 0.246 2186 V C 2.262 178.451 176.094 0.158 0.000 1.047 2186 V CA 1.638 64.043 62.300 0.176 0.000 1.035 2186 V CB -0.391 31.528 31.823 0.161 0.000 0.658 2186 V HN 0.263 nan 8.190 nan 0.000 0.452 2187 L N 0.067 121.357 121.223 0.112 0.000 2.083 2187 L HA -0.167 4.173 4.340 0.000 0.000 0.209 2187 L C 2.738 179.669 176.870 0.101 0.000 1.083 2187 L CA 1.496 56.402 54.840 0.110 0.000 0.752 2187 L CB -0.838 41.262 42.059 0.068 0.000 0.899 2187 L HN 0.366 nan 8.230 nan 0.000 0.433 2188 A N -0.451 122.407 122.820 0.063 0.000 1.908 2188 A HA -0.231 4.090 4.320 0.000 0.000 0.218 2188 A C 1.796 179.305 177.584 -0.124 0.000 1.181 2188 A CA 1.503 53.508 52.037 -0.054 0.000 0.627 2188 A CB -0.878 18.035 19.000 -0.146 0.000 0.818 2188 A HN 0.446 nan 8.150 nan 0.000 0.445 2189 Y N 0.453 120.758 120.300 0.007 0.000 2.477 2189 Y HA 0.134 4.684 4.550 0.000 0.000 0.303 2189 Y C 0.416 176.308 175.900 -0.014 0.000 1.202 2189 Y CA 0.509 58.598 58.100 -0.019 0.000 1.282 2189 Y CB -0.188 38.234 38.460 -0.063 0.000 1.071 2189 Y HN 0.050 nan 8.280 nan 0.000 0.510 2190 T N 2.126 116.751 114.554 0.118 0.000 2.770 2190 T HA 0.250 4.600 4.350 0.000 0.000 0.283 2190 T C -0.307 174.450 174.700 0.095 0.000 0.988 2190 T CA -0.891 61.266 62.100 0.096 0.000 0.957 2190 T CB 0.667 69.596 68.868 0.102 0.000 0.930 2190 T HN 0.211 nan 8.240 nan 0.000 0.443 2191 E N 1.813 122.067 120.200 0.090 0.000 2.202 2191 E HA 0.660 5.010 4.350 0.000 0.000 0.272 2191 E C 0.639 177.336 176.600 0.162 0.000 0.951 2191 E CA -1.233 55.238 56.400 0.118 0.000 0.813 2191 E CB 1.827 31.595 29.700 0.113 0.000 1.151 2191 E HN 0.733 nan 8.360 nan 0.000 0.398 2192 G N 1.567 110.496 108.800 0.216 0.000 2.316 2192 G HA2 -0.278 3.682 3.960 0.000 0.000 0.203 2192 G HA3 -0.278 3.682 3.960 0.000 0.000 0.203 2192 G C 0.892 176.018 174.900 0.377 0.000 0.999 2192 G CA 0.044 45.353 45.100 0.348 0.000 0.649 2192 G HN 0.467 nan 8.290 nan 0.000 0.489 2193 L N 0.729 122.075 121.223 0.205 0.000 2.129 2193 L HA 0.026 4.366 4.340 0.000 0.000 0.212 2193 L C 1.304 177.973 176.870 -0.334 0.000 1.087 2193 L CA 1.381 56.224 54.840 0.005 0.000 0.757 2193 L CB -0.314 41.653 42.059 -0.154 0.000 0.896 2193 L HN 0.391 nan 8.230 nan 0.000 0.434 2194 H N -0.892 118.295 119.070 0.196 0.000 2.716 2194 H HA 0.356 4.913 4.556 0.000 0.000 0.230 2194 H C 0.355 175.747 175.328 0.105 0.000 1.401 2194 H CA -0.124 55.988 56.048 0.106 0.000 1.168 2194 H CB 0.345 30.136 29.762 0.047 0.000 1.935 2194 H HN 0.125 nan 8.280 nan 0.000 0.538 2195 G N 0.502 109.457 108.800 0.257 0.000 2.462 2195 G HA2 0.459 4.419 3.960 0.000 0.000 0.319 2195 G HA3 0.459 4.419 3.960 0.000 0.000 0.319 2195 G C -0.586 174.268 174.900 -0.076 0.000 1.171 2195 G CA -0.569 44.529 45.100 -0.003 0.000 0.920 2195 G HN 0.172 nan 8.290 nan 0.000 0.499 2196 K N 0.161 120.226 120.400 -0.558 0.000 2.482 2196 K HA 0.492 4.813 4.320 0.000 0.000 0.251 2196 K C -1.596 174.561 176.600 -0.737 0.000 0.936 2196 K CA -0.825 55.218 56.287 -0.407 0.000 0.791 2196 K CB 1.737 34.164 32.500 -0.123 0.000 1.213 2196 K HN 0.566 nan 8.250 nan 0.000 0.428 2200 S N 0.603 116.451 115.700 0.247 0.000 2.420 2200 S HA -0.164 4.306 4.470 0.000 0.000 0.237 2200 S C 1.350 176.021 174.600 0.118 0.000 1.023 2200 S CA 1.804 60.090 58.200 0.143 0.000 0.991 2200 S CB -0.262 63.000 63.200 0.102 0.000 0.792 2200 S HN 0.387 nan 8.310 nan 0.000 0.488 2201 E N 0.918 121.204 120.200 0.143 0.000 2.318 2201 E HA 0.289 4.639 4.350 0.000 0.000 0.193 2201 E C 0.728 177.405 176.600 0.127 0.000 0.998 2201 E CA -0.101 56.379 56.400 0.134 0.000 0.859 2201 E CB -0.207 29.591 29.700 0.163 0.000 0.812 2201 E HN 0.629 nan 8.360 nan 0.000 0.492 2202 I N 1.805 122.446 120.570 0.118 0.000 2.752 2202 I HA -0.084 4.087 4.170 0.000 0.000 0.287 2202 I C 1.607 177.753 176.117 0.049 0.000 1.188 2202 I CA 0.463 61.806 61.300 0.071 0.000 1.427 2202 I CB 0.489 38.481 38.000 -0.013 0.000 1.365 2202 I HN -0.108 nan 8.210 nan 0.000 0.585 2203 R N 3.738 124.278 120.500 0.067 0.000 2.561 2203 R HA 0.407 4.747 4.340 0.000 0.000 0.213 2203 R C -0.370 175.940 176.300 0.016 0.000 0.885 2203 R CA 0.090 56.215 56.100 0.041 0.000 1.002 2203 R CB 0.737 31.079 30.300 0.069 0.000 1.432 2203 R HN 0.673 nan 8.270 nan 0.000 0.651 2204 A N 0.848 123.729 122.820 0.101 0.000 2.449 2204 A HA 0.665 4.986 4.320 0.000 0.000 0.302 2204 A C -1.138 176.541 177.584 0.159 0.000 1.048 2204 A CA -0.445 51.634 52.037 0.070 0.000 0.708 2204 A CB 2.270 21.384 19.000 0.190 0.000 1.274 2204 A HN -0.082 nan 8.150 nan 0.000 0.410 2205 V N 2.954 122.852 119.914 -0.027 0.000 2.443 2205 V HA 0.354 4.475 4.120 0.000 0.000 0.272 2205 V C -1.364 174.739 176.094 0.015 0.000 1.002 2205 V CA -0.145 62.185 62.300 0.049 0.000 0.840 2205 V CB 0.158 31.942 31.823 -0.065 0.000 1.042 2205 V HN 0.703 nan 8.190 nan 0.000 0.446 2206 F N 1.799 121.814 119.950 0.108 0.000 2.385 2206 F HA 0.525 5.052 4.527 0.000 0.000 0.336 2206 F C 1.070 176.914 175.800 0.073 0.000 1.100 2206 F CA -0.046 58.007 58.000 0.088 0.000 1.116 2206 F CB 1.714 40.793 39.000 0.132 0.000 1.166 2206 F HN 0.380 nan 8.300 nan 0.000 0.511 2207 S N 2.790 118.633 115.700 0.238 0.000 2.592 2207 S HA 0.598 5.069 4.470 0.000 0.000 0.271 2207 S C -0.076 174.630 174.600 0.176 0.000 1.326 2207 S CA -0.498 57.798 58.200 0.161 0.000 1.024 2207 S CB 0.317 63.577 63.200 0.100 0.000 0.921 2207 S HN 0.518 nan 8.310 nan 0.000 0.527 2208 R N 1.461 122.046 120.500 0.142 0.000 2.831 2208 R HA 0.544 4.884 4.340 0.000 0.000 0.266 2208 R C -0.992 175.372 176.300 0.105 0.000 1.051 2208 R CA -0.749 55.418 56.100 0.111 0.000 0.943 2208 R CB 1.324 31.680 30.300 0.093 0.000 1.228 2208 R HN 0.741 nan 8.270 nan 0.000 0.467 2209 R N 0.501 121.055 120.500 0.089 0.000 2.686 2209 R HA 0.426 4.766 4.340 0.000 0.000 0.286 2209 R C -1.221 175.166 176.300 0.145 0.000 0.969 2209 R CA -0.898 55.260 56.100 0.096 0.000 0.898 2209 R CB 2.205 32.532 30.300 0.045 0.000 1.183 2209 R HN 0.462 nan 8.270 nan 0.000 0.456 2210 Y N 2.986 123.281 120.300 -0.009 0.000 2.331 2210 Y HA 0.276 4.827 4.550 0.000 0.000 0.334 2210 Y C 0.202 176.080 175.900 -0.037 0.000 0.960 2210 Y CA -1.327 56.757 58.100 -0.028 0.000 1.130 2210 Y CB 0.757 39.203 38.460 -0.023 0.000 1.164 2210 Y HN 0.693 nan 8.280 nan 0.000 0.458 2211 L N 8.294 129.215 121.223 -0.503 0.000 3.660 2211 L HA -0.375 3.965 4.340 0.000 0.000 0.440 2211 L C 0.540 177.264 176.870 -0.244 0.000 1.262 2211 L CA 0.846 55.406 54.840 -0.466 0.000 0.837 2211 L CB -1.327 40.340 42.059 -0.653 0.000 1.689 2211 L HN 0.956 nan 8.230 nan 0.000 0.890 2212 L N -3.779 117.349 121.223 -0.159 0.000 5.279 2212 L HA -0.294 4.047 4.340 0.000 0.000 0.428 2212 L C 0.834 177.673 176.870 -0.051 0.000 0.974 2212 L CA 1.199 55.978 54.840 -0.102 0.000 1.338 2212 L CB -1.002 40.984 42.059 -0.123 0.000 1.740 2212 L HN 0.551 nan 8.230 nan 0.000 0.657 2213 Q N 1.015 120.792 119.800 -0.038 0.000 2.294 2213 Q HA 0.253 4.593 4.340 0.000 0.000 0.257 2213 Q C 0.194 176.227 176.000 0.055 0.000 0.955 2213 Q CA 0.051 55.861 55.803 0.012 0.000 0.936 2213 Q CB 0.785 29.537 28.738 0.023 0.000 1.188 2213 Q HN 0.162 nan 8.270 nan 0.000 0.420 2214 N N 1.669 120.402 118.700 0.054 0.000 2.819 2214 N HA -0.017 4.723 4.740 0.000 0.000 0.284 2214 N C -0.105 175.463 175.510 0.096 0.000 1.196 2214 N CA 0.207 53.299 53.050 0.071 0.000 1.114 2214 N CB 0.072 38.592 38.487 0.056 0.000 1.437 2214 N HN 0.577 nan 8.380 nan 0.000 0.518 2215 T N -1.856 112.778 114.554 0.134 0.000 3.192 2215 T HA 0.488 4.838 4.350 0.000 0.000 0.295 2215 T C 0.392 175.248 174.700 0.260 0.000 0.947 2215 T CA -0.256 61.950 62.100 0.177 0.000 0.916 2215 T CB 0.050 69.022 68.868 0.172 0.000 1.169 2215 T HN 0.227 nan 8.240 nan 0.000 0.540 2216 A N 1.002 123.955 122.820 0.221 0.000 2.263 2216 A HA 0.952 5.272 4.320 0.000 0.000 0.318 2216 A C -1.088 176.652 177.584 0.261 0.000 1.111 2216 A CA -0.781 51.397 52.037 0.234 0.000 0.901 2216 A CB 1.048 20.123 19.000 0.124 0.000 1.280 2216 A HN 0.411 nan 8.150 nan 0.000 0.503 2217 L N -0.882 120.500 121.223 0.266 0.000 2.518 2217 L HA 0.598 4.938 4.340 0.000 0.000 0.257 2217 L C -0.876 176.093 176.870 0.165 0.000 0.980 2217 L CA -0.059 54.937 54.840 0.259 0.000 0.837 2217 L CB 2.250 44.546 42.059 0.396 0.000 1.410 2217 L HN 0.896 nan 8.230 nan 0.000 0.410 2218 E N 2.072 122.366 120.200 0.155 0.000 2.263 2218 E HA 0.672 5.022 4.350 0.000 0.000 0.268 2218 E C -1.970 174.701 176.600 0.119 0.000 0.884 2218 E CA -0.621 55.806 56.400 0.045 0.000 0.766 2218 E CB 2.012 31.736 29.700 0.039 0.000 1.196 2218 E HN 0.397 nan 8.360 nan 0.000 0.416 2219 V N 5.375 125.246 119.914 -0.072 0.000 2.417 2219 V HA 0.444 4.564 4.120 0.000 0.000 0.291 2219 V C -0.438 175.563 176.094 -0.156 0.000 1.024 2219 V CA -0.519 61.770 62.300 -0.018 0.000 0.861 2219 V CB 0.597 32.366 31.823 -0.090 0.000 0.985 2219 V HN 0.600 nan 8.190 nan 0.000 0.436 2223 N N 0.921 119.684 118.700 0.106 0.000 2.375 2223 N HA 0.134 4.874 4.740 0.000 0.000 0.220 2223 N C 0.486 176.055 175.510 0.099 0.000 1.170 2223 N CA 0.511 53.616 53.050 0.091 0.000 0.833 2223 N CB -0.298 38.241 38.487 0.087 0.000 1.069 2223 N HN 0.530 nan 8.380 nan 0.000 0.479 2224 R N -2.677 117.898 120.500 0.125 0.000 3.989 2224 R HA -0.147 4.193 4.340 0.000 0.000 0.377 2224 R C -0.447 175.937 176.300 0.141 0.000 1.158 2224 R CA 1.324 57.515 56.100 0.152 0.000 1.035 2224 R CB -2.712 27.653 30.300 0.108 0.000 1.557 2224 R HN 0.259 nan 8.270 nan 0.000 0.551 2225 T N 0.372 114.991 114.554 0.108 0.000 2.899 2225 T HA 0.526 4.876 4.350 0.000 0.000 0.284 2225 T C 0.307 174.944 174.700 -0.105 0.000 1.004 2225 T CA 0.202 62.331 62.100 0.047 0.000 1.043 2225 T CB 1.446 70.395 68.868 0.135 0.000 1.013 2225 T HN 0.331 nan 8.240 nan 0.000 0.518 2226 S N 0.427 115.962 115.700 -0.275 0.000 2.556 2226 S HA 0.800 5.270 4.470 0.000 0.000 0.271 2226 S C -0.944 173.326 174.600 -0.550 0.000 1.135 2226 S CA -0.778 57.052 58.200 -0.616 0.000 0.858 2226 S CB 1.652 64.128 63.200 -1.206 0.000 1.114 2226 S HN 0.640 nan 8.310 nan 0.000 0.468 2230 N N 1.236 119.664 118.700 -0.453 0.000 2.354 2230 N HA 0.722 5.462 4.740 0.000 0.000 0.287 2230 N C -1.679 173.590 175.510 -0.401 0.000 1.016 2230 N CA -0.347 52.524 53.050 -0.298 0.000 0.871 2230 N CB 1.090 39.402 38.487 -0.290 0.000 1.299 2230 N HN 0.371 nan 8.380 nan 0.000 0.482 2231 F N 2.594 122.582 119.950 0.063 0.000 2.557 2231 F HA 0.515 5.042 4.527 0.000 0.000 0.336 2231 F C -1.167 174.673 175.800 0.066 0.000 1.058 2231 F CA -2.037 56.000 58.000 0.062 0.000 0.988 2231 F CB 0.984 40.012 39.000 0.047 0.000 1.275 2231 F HN 0.430 nan 8.300 nan 0.000 0.488 2232 P HA -0.036 nan 4.420 nan 0.000 0.222 2232 P C -1.240 176.143 177.300 0.139 0.000 1.147 2232 P CA 1.423 64.620 63.100 0.161 0.000 0.790 2232 P CB -0.054 31.727 31.700 0.135 0.000 0.780 2233 D N -5.689 114.804 120.400 0.154 0.000 2.694 2233 D HA 0.056 4.696 4.640 0.000 0.000 0.260 2233 D C 0.408 176.761 176.300 0.088 0.000 1.250 2233 D CA -0.775 53.288 54.000 0.105 0.000 0.763 2233 D CB -0.015 40.828 40.800 0.073 0.000 1.311 2233 D HN -0.401 nan 8.370 nan 0.000 0.420 2234 Q N 0.161 120.000 119.800 0.066 0.000 2.135 2234 Q HA -0.153 4.188 4.340 0.000 0.000 0.204 2234 Q C 2.032 178.041 176.000 0.014 0.000 0.981 2234 Q CA 2.033 57.863 55.803 0.044 0.000 0.856 2234 Q CB -0.506 28.259 28.738 0.044 0.000 0.902 2234 Q HN 0.692 nan 8.270 nan 0.000 0.425 2235 A N -0.313 122.517 122.820 0.017 0.000 1.940 2235 A HA -0.167 4.154 4.320 0.000 0.000 0.219 2235 A C 2.267 179.835 177.584 -0.026 0.000 1.176 2235 A CA 1.997 54.035 52.037 0.003 0.000 0.631 2235 A CB -0.656 18.350 19.000 0.010 0.000 0.814 2235 A HN 0.410 nan 8.150 nan 0.000 0.446 2236 T N -0.495 114.035 114.554 -0.040 0.000 2.770 2236 T HA -0.082 4.268 4.350 0.000 0.000 0.263 2236 T C 1.901 176.420 174.700 -0.302 0.000 1.039 2236 T CA 1.383 63.414 62.100 -0.116 0.000 1.142 2236 T CB -0.435 68.412 68.868 -0.035 0.000 0.868 2236 T HN 0.158 nan 8.240 nan 0.000 0.435 2237 V N 1.815 121.549 119.914 -0.299 0.000 2.282 2237 V HA -0.259 3.861 4.120 0.000 0.000 0.249 2237 V C 2.499 178.466 176.094 -0.212 0.000 1.057 2237 V CA 1.987 64.066 62.300 -0.369 0.000 1.032 2237 V CB -0.591 31.163 31.823 -0.114 0.000 0.645 2237 V HN 0.446 nan 8.190 nan 0.000 0.447 2238 K N 0.084 120.438 120.400 -0.077 0.000 2.032 2238 K HA -0.256 4.065 4.320 0.000 0.000 0.209 2238 K C 2.207 178.861 176.600 0.090 0.000 1.048 2238 K CA 1.860 58.172 56.287 0.042 0.000 0.927 2238 K CB -0.158 32.393 32.500 0.085 0.000 0.712 2238 K HN 0.414 nan 8.250 nan 0.000 0.441 2239 K N 0.018 120.418 120.400 -0.001 0.000 2.002 2239 K HA -0.122 4.198 4.320 0.000 0.000 0.209 2239 K C 1.999 178.582 176.600 -0.028 0.000 1.048 2239 K CA 1.635 57.930 56.287 0.013 0.000 0.930 2239 K CB -0.278 32.204 32.500 -0.030 0.000 0.714 2239 K HN -0.046 nan 8.250 nan 0.000 0.438 2240 V N 1.148 120.958 119.914 -0.174 0.000 2.317 2240 V HA -0.285 3.835 4.120 0.000 0.000 0.251 2240 V C 2.219 178.225 176.094 -0.147 0.000 1.065 2240 V CA 1.773 63.946 62.300 -0.210 0.000 1.049 2240 V CB -0.419 31.108 31.823 -0.495 0.000 0.651 2240 V HN 0.148 nan 8.190 nan 0.000 0.450 2241 V N -1.819 118.000 119.914 -0.158 0.000 2.358 2241 V HA -0.234 3.886 4.120 0.000 0.000 0.246 2241 V C 1.891 177.820 176.094 -0.276 0.000 1.047 2241 V CA 1.777 63.944 62.300 -0.221 0.000 1.035 2241 V CB -0.684 30.976 31.823 -0.271 0.000 0.658 2241 V HN 0.597 nan 8.190 nan 0.000 0.452 2242 Y N -0.365 119.884 120.300 -0.084 0.000 2.465 2242 Y HA 0.071 4.621 4.550 0.000 0.000 0.311 2242 Y C 2.030 177.904 175.900 -0.044 0.000 1.204 2242 Y CA 0.412 58.476 58.100 -0.060 0.000 1.272 2242 Y CB 0.208 38.641 38.460 -0.045 0.000 1.083 2242 Y HN 0.168 nan 8.280 nan 0.000 0.508 2243 S N -0.917 114.802 115.700 0.030 0.000 2.604 2243 S HA 0.215 4.685 4.470 0.000 0.000 0.235 2243 S C -0.040 174.552 174.600 -0.014 0.000 1.043 2243 S CA -0.145 58.091 58.200 0.061 0.000 0.997 2243 S CB 0.498 63.746 63.200 0.079 0.000 0.956 2243 S HN -0.026 nan 8.310 nan 0.000 0.535 2244 L N 2.170 123.277 121.223 -0.193 0.000 2.387 2244 L HA 0.555 4.896 4.340 0.000 0.000 0.266 2244 L C -2.440 174.147 176.870 -0.471 0.000 1.059 2244 L CA -2.246 52.288 54.840 -0.511 0.000 0.801 2244 L CB -0.479 41.342 42.059 -0.395 0.000 1.223 2244 L HN -0.133 nan 8.230 nan 0.000 0.456 2245 P HA 0.025 nan 4.420 nan 0.000 0.267 2245 P C -0.641 176.528 177.300 -0.219 0.000 1.201 2245 P CA -0.190 62.715 63.100 -0.325 0.000 0.775 2245 P CB 0.283 31.807 31.700 -0.293 0.000 0.854 2246 R N 2.670 123.088 120.500 -0.137 0.000 3.268 2246 R HA 0.105 4.446 4.340 0.000 0.000 0.217 2246 R C 0.540 176.769 176.300 -0.117 0.000 1.568 2246 R CA -0.055 55.968 56.100 -0.128 0.000 1.322 2246 R CB -0.782 29.469 30.300 -0.081 0.000 1.280 2246 R HN 0.380 nan 8.270 nan 0.000 0.667 2247 V N 0.743 120.573 119.914 -0.141 0.000 3.643 2247 V HA 0.378 4.498 4.120 0.000 0.000 0.280 2247 V C 1.208 177.211 176.094 -0.153 0.000 1.351 2247 V CA 0.453 62.679 62.300 -0.124 0.000 1.073 2247 V CB -0.104 31.654 31.823 -0.109 0.000 0.863 2247 V HN 0.801 nan 8.190 nan 0.000 0.436 2248 G N 0.902 109.595 108.800 -0.178 0.000 2.565 2248 G HA2 -0.310 3.650 3.960 0.000 0.000 0.295 2248 G HA3 -0.310 3.650 3.960 0.000 0.000 0.295 2248 G C 0.577 175.295 174.900 -0.303 0.000 1.165 2248 G CA 0.704 45.679 45.100 -0.208 0.000 0.977 2248 G HN 1.055 nan 8.290 nan 0.000 0.546 2249 V N 1.923 121.617 119.914 -0.368 0.000 3.253 2249 V HA 0.608 4.728 4.120 0.000 0.000 0.320 2249 V C 1.166 176.954 176.094 -0.510 0.000 1.442 2249 V CA 1.880 63.763 62.300 -0.694 0.000 1.097 2249 V CB -0.324 31.040 31.823 -0.766 0.000 1.008 2249 V HN 2.675 nan 8.190 nan 0.000 0.463 2250 G N 0.969 109.589 108.800 -0.300 0.000 2.447 2250 G HA2 -0.089 3.871 3.960 0.000 0.000 0.220 2250 G HA3 -0.089 3.871 3.960 0.000 0.000 0.220 2250 G C 0.118 174.897 174.900 -0.202 0.000 1.261 2250 G CA 0.128 45.090 45.100 -0.230 0.000 1.000 2250 G HN 0.852 nan 8.290 nan 0.000 0.515 2251 T N -3.591 110.847 114.554 -0.194 0.000 3.633 2251 T HA 0.655 5.005 4.350 0.000 0.000 0.278 2251 T C 0.818 175.420 174.700 -0.164 0.000 0.991 2251 T CA 0.866 62.878 62.100 -0.146 0.000 1.036 2251 T CB 0.410 69.220 68.868 -0.096 0.000 1.148 2251 T HN 1.046 nan 8.240 nan 0.000 0.501 2252 S N -0.150 115.379 115.700 -0.285 0.000 2.539 2252 S HA 0.244 4.714 4.470 0.000 0.000 0.226 2252 S C 0.679 175.212 174.600 -0.111 0.000 1.054 2252 S CA -0.336 57.697 58.200 -0.278 0.000 0.910 2252 S CB -0.210 62.707 63.200 -0.472 0.000 0.818 2252 S HN 0.701 nan 8.310 nan 0.000 0.490 2253 Y N 1.508 121.769 120.300 -0.064 0.000 2.524 2253 Y HA 0.361 4.911 4.550 0.000 0.000 0.266 2253 Y C 1.708 177.532 175.900 -0.126 0.000 1.180 2253 Y CA -0.310 57.708 58.100 -0.137 0.000 1.244 2253 Y CB 0.236 38.688 38.460 -0.015 0.000 1.125 2253 Y HN 0.374 nan 8.280 nan 0.000 0.524 2254 G N 1.280 110.096 108.800 0.027 0.000 2.155 2254 G HA2 -0.309 3.651 3.960 0.000 0.000 0.257 2254 G HA3 -0.309 3.651 3.960 0.000 0.000 0.257 2254 G C -0.184 174.714 174.900 -0.003 0.000 0.983 2254 G CA 0.033 45.127 45.100 -0.010 0.000 0.676 2254 G HN 0.292 nan 8.290 nan 0.000 0.528 2255 L N 0.465 121.696 121.223 0.013 0.000 2.360 2255 L HA 0.550 4.891 4.340 0.000 0.000 0.271 2255 L C -1.586 175.264 176.870 -0.034 0.000 1.057 2255 L CA -2.377 52.463 54.840 0.000 0.000 0.803 2255 L CB 0.912 42.986 42.059 0.024 0.000 1.207 2255 L HN -0.120 nan 8.230 nan 0.000 0.445 2256 P HA 0.032 nan 4.420 nan 0.000 0.269 2256 P C -1.064 176.196 177.300 -0.066 0.000 1.209 2256 P CA -0.288 62.786 63.100 -0.044 0.000 0.776 2256 P CB 0.355 32.035 31.700 -0.033 0.000 0.876 2257 Q N 0.888 120.647 119.800 -0.067 0.000 3.027 2257 Q HA 0.473 4.813 4.340 0.000 0.000 0.260 2257 Q C -0.698 175.253 176.000 -0.081 0.000 1.379 2257 Q CA -0.280 55.472 55.803 -0.085 0.000 1.038 2257 Q CB -0.144 28.548 28.738 -0.075 0.000 1.578 2257 Q HN 0.461 nan 8.270 nan 0.000 0.571 2258 A N 1.140 123.907 122.820 -0.089 0.000 2.371 2258 A HA 0.376 4.696 4.320 0.000 0.000 0.311 2258 A C 0.421 177.930 177.584 -0.125 0.000 1.068 2258 A CA -0.683 51.304 52.037 -0.083 0.000 0.744 2258 A CB 1.107 20.078 19.000 -0.049 0.000 1.239 2258 A HN 0.700 nan 8.150 nan 0.000 0.435 2259 R N 0.493 120.893 120.500 -0.166 0.000 2.170 2259 R HA -0.146 4.194 4.340 0.000 0.000 0.242 2259 R C 1.703 177.861 176.300 -0.236 0.000 1.145 2259 R CA 1.362 57.288 56.100 -0.291 0.000 0.984 2259 R CB -0.062 29.912 30.300 -0.544 0.000 0.869 2259 R HN 0.655 nan 8.270 nan 0.000 0.455 2260 R N 0.435 120.866 120.500 -0.116 0.000 2.105 2260 R HA -0.139 4.201 4.340 0.000 0.000 0.239 2260 R C 2.153 178.417 176.300 -0.061 0.000 1.135 2260 R CA 1.270 57.341 56.100 -0.047 0.000 0.967 2260 R CB -0.466 29.835 30.300 0.001 0.000 0.861 2260 R HN 0.180 nan 8.270 nan 0.000 0.442 2261 I N 0.740 121.262 120.570 -0.081 0.000 2.226 2261 I HA -0.217 3.953 4.170 0.000 0.000 0.245 2261 I C 2.171 178.224 176.117 -0.106 0.000 1.100 2261 I CA 1.341 62.592 61.300 -0.081 0.000 1.374 2261 I CB -0.452 37.488 38.000 -0.100 0.000 1.057 2261 I HN -0.018 nan 8.210 nan 0.000 0.413 2262 S N -0.044 115.564 115.700 -0.153 0.000 2.465 2262 S HA -0.057 4.413 4.470 0.000 0.000 0.241 2262 S C 1.766 176.319 174.600 -0.077 0.000 1.000 2262 S CA 1.030 59.140 58.200 -0.151 0.000 0.964 2262 S CB -0.250 62.839 63.200 -0.185 0.000 0.763 2262 S HN 0.389 nan 8.310 nan 0.000 0.512 2263 L N 0.066 121.251 121.223 -0.063 0.000 2.701 2263 L HA 0.349 4.689 4.340 0.000 0.000 0.238 2263 L C 1.040 177.916 176.870 0.010 0.000 1.106 2263 L CA -0.320 54.510 54.840 -0.016 0.000 0.898 2263 L CB -0.293 41.762 42.059 -0.006 0.000 1.188 2263 L HN 0.153 nan 8.230 nan 0.000 0.508 2264 A N 0.582 123.402 122.820 0.001 0.000 2.547 2264 A HA 0.149 4.469 4.320 0.000 0.000 0.233 2264 A C 0.544 178.150 177.584 0.036 0.000 1.067 2264 A CA 0.439 52.487 52.037 0.019 0.000 0.763 2264 A CB -0.029 18.979 19.000 0.013 0.000 1.007 2264 A HN 0.134 nan 8.150 nan 0.000 0.506 2265 T N 2.581 117.160 114.554 0.041 0.000 2.898 2265 T HA 0.310 4.660 4.350 0.000 0.000 0.301 2265 T C -1.467 173.264 174.700 0.052 0.000 1.049 2265 T CA -0.542 61.585 62.100 0.046 0.000 1.095 2265 T CB 0.773 69.668 68.868 0.044 0.000 0.976 2265 T HN 0.491 nan 8.240 nan 0.000 0.539 2266 P HA -0.026 nan 4.420 nan 0.000 0.215 2266 P C 1.625 178.955 177.300 0.050 0.000 1.153 2266 P CA 0.961 64.081 63.100 0.032 0.000 0.853 2266 P CB 0.193 31.898 31.700 0.008 0.000 0.788 2267 R N -0.262 120.270 120.500 0.053 0.000 2.096 2267 R HA -0.130 4.210 4.340 0.000 0.000 0.235 2267 R C 2.361 178.737 176.300 0.127 0.000 1.127 2267 R CA 1.450 57.600 56.100 0.082 0.000 0.968 2267 R CB -0.563 29.773 30.300 0.059 0.000 0.861 2267 R HN 0.414 nan 8.270 nan 0.000 0.440 2268 Q N 0.401 120.255 119.800 0.091 0.000 2.079 2268 Q HA -0.092 4.249 4.340 0.000 0.000 0.200 2268 Q C 2.318 178.375 176.000 0.095 0.000 0.974 2268 Q CA 1.048 56.902 55.803 0.084 0.000 0.840 2268 Q CB -0.155 28.618 28.738 0.057 0.000 0.898 2268 Q HN 0.332 nan 8.270 nan 0.000 0.430 2269 L N -0.240 121.041 121.223 0.097 0.000 2.042 2269 L HA -0.230 4.110 4.340 0.000 0.000 0.210 2269 L C 2.485 179.445 176.870 0.150 0.000 1.076 2269 L CA 1.512 56.419 54.840 0.111 0.000 0.749 2269 L CB -0.628 41.496 42.059 0.108 0.000 0.893 2269 L HN 0.266 nan 8.230 nan 0.000 0.432 2270 Y N 1.089 121.417 120.300 0.046 0.000 2.145 2270 Y HA -0.304 4.246 4.550 0.000 0.000 0.286 2270 Y C 2.798 178.763 175.900 0.108 0.000 1.145 2270 Y CA 1.981 60.129 58.100 0.079 0.000 1.148 2270 Y CB -0.144 38.316 38.460 0.000 0.000 0.981 2270 Y HN -0.001 nan 8.280 nan 0.000 0.507 2271 K N -0.510 119.975 120.400 0.141 0.000 2.009 2271 K HA -0.156 4.164 4.320 0.000 0.000 0.210 2271 K C 1.984 178.569 176.600 -0.024 0.000 1.049 2271 K CA 1.949 58.269 56.287 0.055 0.000 0.929 2271 K CB -0.327 32.237 32.500 0.107 0.000 0.714 2271 K HN 0.279 nan 8.250 nan 0.000 0.440 2272 S N 0.435 116.141 115.700 0.009 0.000 2.561 2272 S HA -0.015 4.455 4.470 0.000 0.000 0.225 2272 S C 0.880 175.472 174.600 -0.013 0.000 0.977 2272 S CA 0.082 58.281 58.200 -0.001 0.000 0.926 2272 S CB 0.141 63.352 63.200 0.017 0.000 0.769 2272 S HN 0.387 nan 8.310 nan 0.000 0.533 2273 S N 2.511 118.200 115.700 -0.020 0.000 2.602 2273 S HA 0.245 4.716 4.470 0.000 0.000 0.257 2273 S C 0.111 174.651 174.600 -0.101 0.000 1.250 2273 S CA -0.495 57.690 58.200 -0.025 0.000 0.986 2273 S CB 0.220 63.441 63.200 0.034 0.000 1.040 2273 S HN 0.652 nan 8.310 nan 0.000 0.562 2277 Q N 2.597 122.347 119.800 -0.083 0.000 2.061 2277 Q HA -0.051 4.289 4.340 0.000 0.000 0.204 2277 Q C 2.061 178.006 176.000 -0.092 0.000 0.984 2277 Q CA 1.366 57.118 55.803 -0.086 0.000 0.846 2277 Q CB -0.569 28.119 28.738 -0.084 0.000 0.902 2277 Q HN 0.461 nan 8.270 nan 0.000 0.421 2278 R N -0.217 120.232 120.500 -0.085 0.000 2.117 2278 R HA -0.169 4.172 4.340 0.000 0.000 0.243 2278 R C 2.016 178.288 176.300 -0.047 0.000 1.143 2278 R CA 1.525 57.586 56.100 -0.066 0.000 0.968 2278 R CB -0.547 29.719 30.300 -0.056 0.000 0.863 2278 R HN 0.415 nan 8.270 nan 0.000 0.444 2279 W N 2.358 123.480 121.300 -0.297 0.000 2.379 2279 W HA -0.163 4.497 4.660 0.000 0.000 0.307 2279 W C 1.988 178.364 176.519 -0.238 0.000 1.200 2279 W CA 1.261 58.400 57.345 -0.343 0.000 1.297 2279 W CB -0.283 28.689 29.460 -0.812 0.000 1.140 2279 W HN 0.047 nan 8.180 nan 0.000 0.507 2280 Q N -0.097 119.484 119.800 -0.366 0.000 2.124 2280 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 2280 Q C 2.127 177.903 176.000 -0.372 0.000 0.977 2280 Q CA 1.622 57.117 55.803 -0.514 0.000 0.850 2280 Q CB -0.470 28.093 28.738 -0.291 0.000 0.901 2280 Q HN 0.344 nan 8.270 nan 0.000 0.429 2281 R N 0.081 120.439 120.500 -0.236 0.000 2.339 2281 R HA 0.040 4.380 4.340 0.000 0.000 0.199 2281 R C 0.181 176.383 176.300 -0.163 0.000 1.018 2281 R CA 0.127 56.124 56.100 -0.171 0.000 1.036 2281 R CB 0.236 30.468 30.300 -0.115 0.000 0.899 2281 R HN 0.153 nan 8.270 nan 0.000 0.473 2282 R N -0.882 119.495 120.500 -0.205 0.000 3.963 2282 R HA -0.209 4.131 4.340 0.000 0.000 0.394 2282 R C 0.237 176.501 176.300 -0.059 0.000 1.131 2282 R CA 1.214 57.225 56.100 -0.147 0.000 1.059 2282 R CB -1.902 28.315 30.300 -0.138 0.000 1.614 2282 R HN 0.466 nan 8.270 nan 0.000 0.546 2283 E N 0.073 120.246 120.200 -0.045 0.000 2.285 2283 E HA 0.036 4.386 4.350 0.000 0.000 0.194 2283 E C 0.219 176.837 176.600 0.031 0.000 0.997 2283 E CA 0.646 57.038 56.400 -0.012 0.000 0.845 2283 E CB 0.141 29.828 29.700 -0.021 0.000 0.782 2283 E HN 0.117 nan 8.360 nan 0.000 0.491 2284 I N 0.362 120.973 120.570 0.068 0.000 2.509 2284 I HA 0.047 4.217 4.170 0.000 0.000 0.293 2284 I C 0.060 176.316 176.117 0.231 0.000 1.020 2284 I CA -0.740 60.650 61.300 0.150 0.000 1.088 2284 I CB 1.893 39.993 38.000 0.168 0.000 1.267 2284 I HN -0.141 nan 8.210 nan 0.000 0.430 2285 S N 4.469 120.316 115.700 0.246 0.000 2.624 2285 S HA 0.308 4.778 4.470 0.000 0.000 0.263 2285 S C 0.947 175.799 174.600 0.419 0.000 1.287 2285 S CA -0.514 57.857 58.200 0.285 0.000 0.990 2285 S CB 0.623 63.967 63.200 0.241 0.000 0.950 2285 S HN 0.577 nan 8.310 nan 0.000 0.561 2286 N N 0.532 119.487 118.700 0.424 0.000 2.069 2286 N HA -0.115 4.625 4.740 0.000 0.000 0.191 2286 N C 1.265 176.937 175.510 0.270 0.000 1.031 2286 N CA 1.408 54.715 53.050 0.429 0.000 0.852 2286 N CB -0.876 37.821 38.487 0.349 0.000 1.018 2286 N HN 0.725 nan 8.380 nan 0.000 0.423 2287 F N 2.049 122.103 119.950 0.173 0.000 2.065 2287 F HA -0.232 4.295 4.527 0.000 0.000 0.298 2287 F C 2.296 178.240 175.800 0.239 0.000 1.112 2287 F CA 1.675 59.819 58.000 0.240 0.000 1.212 2287 F CB -0.115 39.001 39.000 0.193 0.000 0.975 2287 F HN 0.068 nan 8.300 nan 0.000 0.476 2288 E N -1.132 119.373 120.200 0.508 0.000 2.058 2288 E HA -0.285 4.065 4.350 0.000 0.000 0.194 2288 E C 1.999 178.754 176.600 0.257 0.000 0.997 2288 E CA 1.663 58.292 56.400 0.383 0.000 0.801 2288 E CB -0.496 29.402 29.700 0.329 0.000 0.746 2288 E HN 0.565 nan 8.360 nan 0.000 0.450 2289 Y N 1.242 121.568 120.300 0.045 0.000 2.200 2289 Y HA -0.069 4.482 4.550 0.000 0.000 0.290 2289 Y C 0.902 176.674 175.900 -0.213 0.000 1.137 2289 Y CA 0.823 58.857 58.100 -0.111 0.000 1.163 2289 Y CB -0.286 37.895 38.460 -0.464 0.000 0.988 2289 Y HN -0.115 nan 8.280 nan 0.000 0.518 2293 L N 2.061 122.577 121.223 -1.177 0.000 2.021 2293 L HA -0.276 4.065 4.340 0.000 0.000 0.215 2293 L C 2.111 178.338 176.870 -1.072 0.000 1.074 2293 L CA 2.159 56.157 54.840 -1.404 0.000 0.760 2293 L CB -1.024 40.063 42.059 -1.620 0.000 0.889 2293 L HN 0.410 nan 8.230 nan 0.000 0.433 2294 N N -0.468 117.805 118.700 -0.710 0.000 2.043 2294 N HA -0.172 4.569 4.740 0.000 0.000 0.193 2294 N C 1.787 177.102 175.510 -0.325 0.000 1.037 2294 N CA 2.202 55.055 53.050 -0.328 0.000 0.851 2294 N CB -0.411 37.969 38.487 -0.179 0.000 1.027 2294 N HN 0.371 nan 8.380 nan 0.000 0.422 2295 T N 2.592 116.920 114.554 -0.377 0.000 2.665 2295 T HA -0.123 4.228 4.350 0.000 0.000 0.268 2295 T C 2.040 176.538 174.700 -0.337 0.000 1.035 2295 T CA 1.371 63.252 62.100 -0.365 0.000 1.151 2295 T CB -0.290 68.385 68.868 -0.320 0.000 0.862 2295 T HN 0.471 nan 8.240 nan 0.000 0.438 2296 I N -0.431 119.900 120.570 -0.399 0.000 3.059 2296 I HA 0.306 4.476 4.170 0.000 0.000 0.270 2296 I C 2.412 178.420 176.117 -0.182 0.000 1.238 2296 I CA 0.616 61.791 61.300 -0.209 0.000 1.478 2296 I CB -0.428 37.371 38.000 -0.336 0.000 1.097 2296 I HN 0.077 nan 8.210 nan 0.000 0.455 2297 A N 1.384 124.049 122.820 -0.258 0.000 2.167 2297 A HA 0.374 4.695 4.320 0.000 0.000 0.214 2297 A C 2.046 179.599 177.584 -0.052 0.000 1.151 2297 A CA 0.910 52.880 52.037 -0.113 0.000 0.735 2297 A CB -0.735 18.266 19.000 0.001 0.000 0.802 2297 A HN 0.808 nan 8.150 nan 0.000 0.467 2298 G N -1.519 107.233 108.800 -0.080 0.000 2.195 2298 G HA2 -0.194 3.767 3.960 0.000 0.000 0.224 2298 G HA3 -0.194 3.767 3.960 0.000 0.000 0.224 2298 G C 0.384 175.242 174.900 -0.070 0.000 0.990 2298 G CA -0.038 45.033 45.100 -0.049 0.000 0.639 2298 G HN 0.433 nan 8.290 nan 0.000 0.514 2299 R N 0.709 121.152 120.500 -0.095 0.000 2.734 2299 R HA 0.531 4.871 4.340 0.000 0.000 0.266 2299 R C 0.173 176.372 176.300 -0.168 0.000 1.044 2299 R CA 1.147 57.175 56.100 -0.120 0.000 1.128 2299 R CB 0.707 30.930 30.300 -0.128 0.000 1.010 2299 R HN 0.526 nan 8.270 nan 0.000 0.461 2300 T N 0.163 114.597 114.554 -0.200 0.000 3.087 2300 T HA 0.212 4.562 4.350 0.000 0.000 0.351 2300 T C -0.020 174.551 174.700 -0.215 0.000 1.520 2300 T CA -0.625 61.364 62.100 -0.184 0.000 1.111 2300 T CB 0.514 69.335 68.868 -0.079 0.000 1.353 2300 T HN 0.499 nan 8.240 nan 0.000 0.481 2301 Y N 2.656 122.867 120.300 -0.148 0.000 2.632 2301 Y HA 0.122 4.673 4.550 0.000 0.000 0.301 2301 Y C 2.304 178.242 175.900 0.064 0.000 1.172 2301 Y CA 0.219 58.261 58.100 -0.097 0.000 1.328 2301 Y CB 0.103 38.538 38.460 -0.041 0.000 1.016 2301 Y HN 0.527 nan 8.280 nan 0.000 0.529 2302 N N -0.382 118.383 118.700 0.108 0.000 2.392 2302 N HA -0.064 4.676 4.740 0.000 0.000 0.177 2302 N C -0.316 175.214 175.510 0.033 0.000 1.066 2302 N CA 0.749 53.819 53.050 0.034 0.000 0.895 2302 N CB 0.316 38.737 38.487 -0.109 0.000 0.988 2302 N HN 0.224 nan 8.380 nan 0.000 0.457 2303 D N 0.530 120.972 120.400 0.070 0.000 2.358 2303 D HA 0.154 4.794 4.640 0.000 0.000 0.253 2303 D C 1.106 177.486 176.300 0.135 0.000 1.288 2303 D CA -0.329 53.717 54.000 0.077 0.000 0.950 2303 D CB 0.549 41.389 40.800 0.067 0.000 1.197 2303 D HN -0.130 nan 8.370 nan 0.000 0.550 2304 L N 2.183 123.490 121.223 0.139 0.000 2.263 2304 L HA -0.147 4.194 4.340 0.000 0.000 0.216 2304 L C 1.637 178.545 176.870 0.064 0.000 1.111 2304 L CA 0.656 55.563 54.840 0.112 0.000 0.773 2304 L CB -0.356 41.667 42.059 -0.059 0.000 0.906 2304 L HN 0.389 nan 8.230 nan 0.000 0.439 2305 N N 0.403 119.127 118.700 0.039 0.000 2.520 2305 N HA -0.117 4.623 4.740 0.000 0.000 0.185 2305 N C 0.862 176.352 175.510 -0.034 0.000 1.068 2305 N CA 0.914 53.955 53.050 -0.016 0.000 0.911 2305 N CB 0.156 38.622 38.487 -0.036 0.000 0.961 2305 N HN 0.596 nan 8.380 nan 0.000 0.446 2306 Q N -0.766 119.048 119.800 0.023 0.000 2.089 2306 Q HA 0.126 4.466 4.340 0.000 0.000 0.248 2306 Q C -0.812 175.209 176.000 0.035 0.000 0.828 2306 Q CA -0.410 55.389 55.803 -0.006 0.000 1.102 2306 Q CB 0.459 29.184 28.738 -0.022 0.000 1.221 2306 Q HN 0.189 nan 8.270 nan 0.000 0.455 2307 Y N 2.599 122.859 120.300 -0.066 0.000 2.757 2307 Y HA -0.045 4.506 4.550 0.000 0.000 0.344 2307 Y C -1.973 173.875 175.900 -0.085 0.000 1.263 2307 Y CA -0.809 57.238 58.100 -0.088 0.000 1.493 2307 Y CB 0.349 38.779 38.460 -0.050 0.000 1.342 2307 Y HN 0.092 nan 8.280 nan 0.000 0.627 2308 P HA 0.023 nan 4.420 nan 0.000 0.268 2308 P C -1.343 176.018 177.300 0.103 0.000 1.208 2308 P CA 0.186 63.170 63.100 -0.193 0.000 0.777 2308 P CB 0.480 31.925 31.700 -0.426 0.000 0.875 2309 V N 3.578 123.610 119.914 0.197 0.000 2.448 2309 V HA 0.453 4.574 4.120 0.000 0.000 0.295 2309 V C -0.421 175.898 176.094 0.374 0.000 1.025 2309 V CA -0.153 62.317 62.300 0.283 0.000 0.859 2309 V CB 0.636 32.566 31.823 0.178 0.000 0.988 2309 V HN 0.371 nan 8.190 nan 0.000 0.431 2310 F N 6.144 126.135 119.950 0.068 0.000 2.551 2310 F HA 0.694 5.221 4.527 0.000 0.000 0.316 2310 F C -2.322 173.286 175.800 -0.319 0.000 1.089 2310 F CA -2.217 55.690 58.000 -0.154 0.000 0.915 2310 F CB 3.105 42.002 39.000 -0.172 0.000 1.186 2310 F HN 0.292 nan 8.300 nan 0.000 0.456 2311 P HA 0.120 nan 4.420 nan 0.000 0.284 2311 P C -1.096 176.071 177.300 -0.223 0.000 1.258 2311 P CA -0.445 62.227 63.100 -0.712 0.000 0.824 2311 P CB 0.977 31.541 31.700 -1.894 0.000 1.038 2312 W N 1.269 122.494 121.300 -0.125 0.000 2.190 2312 W HA 0.141 4.801 4.660 0.000 0.000 0.330 2312 W C 1.302 177.779 176.519 -0.071 0.000 1.299 2312 W CA 0.003 57.322 57.345 -0.043 0.000 1.215 2312 W CB 0.319 29.812 29.460 0.056 0.000 1.147 2312 W HN 0.118 nan 8.180 nan 0.000 0.563 2313 V N 2.558 122.600 119.914 0.213 0.000 3.013 2313 V HA 0.149 4.269 4.120 0.000 0.000 0.238 2313 V C 0.531 176.557 176.094 -0.114 0.000 1.161 2313 V CA 0.291 62.650 62.300 0.097 0.000 1.170 2313 V CB -0.372 31.552 31.823 0.169 0.000 0.917 2313 V HN 0.279 nan 8.190 nan 0.000 0.478 2314 L N 0.739 121.817 121.223 -0.242 0.000 2.360 2314 L HA 0.410 4.750 4.340 0.000 0.000 0.271 2314 L C 1.229 177.650 176.870 -0.749 0.000 1.057 2314 L CA 0.356 54.832 54.840 -0.607 0.000 0.803 2314 L CB 1.652 43.306 42.059 -0.676 0.000 1.207 2314 L HN 0.303 nan 8.230 nan 0.000 0.445 2315 T N -3.381 110.679 114.554 -0.822 0.000 2.959 2315 T HA 0.075 4.425 4.350 0.000 0.000 0.254 2315 T C 0.411 174.674 174.700 -0.728 0.000 1.003 2315 T CA -0.286 61.277 62.100 -0.896 0.000 0.950 2315 T CB -0.100 68.591 68.868 -0.296 0.000 1.090 2315 T HN 0.407 nan 8.240 nan 0.000 0.503 2316 N N 0.761 119.047 118.700 -0.689 0.000 2.439 2316 N HA 0.297 5.037 4.740 0.000 0.000 0.249 2316 N C -1.128 174.206 175.510 -0.293 0.000 1.003 2316 N CA -0.745 52.090 53.050 -0.357 0.000 0.942 2316 N CB 0.460 38.808 38.487 -0.231 0.000 1.115 2316 N HN 0.325 nan 8.380 nan 0.000 0.505 2317 Y N 1.600 122.063 120.300 0.273 0.000 2.715 2317 Y HA 0.258 4.808 4.550 0.000 0.000 0.255 2317 Y C 0.431 176.471 175.900 0.232 0.000 1.139 2317 Y CA -0.284 58.049 58.100 0.387 0.000 1.151 2317 Y CB 0.570 39.171 38.460 0.235 0.000 1.201 2317 Y HN 0.685 nan 8.280 nan 0.000 0.556 2318 E N -1.926 118.479 120.200 0.343 0.000 2.665 2318 E HA 0.157 4.507 4.350 0.000 0.000 0.225 2318 E C 0.298 177.014 176.600 0.194 0.000 0.922 2318 E CA -0.051 56.477 56.400 0.213 0.000 1.242 2318 E CB 0.376 30.182 29.700 0.175 0.000 1.197 2318 E HN 0.053 nan 8.360 nan 0.000 0.581 2319 S N 2.023 117.870 115.700 0.246 0.000 2.580 2319 S HA -0.001 4.469 4.470 0.000 0.000 0.274 2319 S C 1.335 176.086 174.600 0.250 0.000 1.329 2319 S CA -0.274 58.039 58.200 0.188 0.000 1.036 2319 S CB 0.973 64.245 63.200 0.121 0.000 0.919 2319 S HN 0.300 nan 8.310 nan 0.000 0.515 2320 E N 2.977 123.273 120.200 0.160 0.000 2.219 2320 E HA -0.123 4.228 4.350 0.000 0.000 0.198 2320 E C -0.043 176.678 176.600 0.201 0.000 0.998 2320 E CA 1.298 57.788 56.400 0.149 0.000 0.818 2320 E CB -0.124 29.631 29.700 0.092 0.000 0.741 2320 E HN 0.743 nan 8.360 nan 0.000 0.477 2321 E N -0.590 119.722 120.200 0.186 0.000 2.390 2321 E HA 0.494 4.844 4.350 0.000 0.000 0.277 2321 E C -1.662 174.931 176.600 -0.011 0.000 0.939 2321 E CA -0.872 55.615 56.400 0.144 0.000 0.769 2321 E CB 2.021 31.771 29.700 0.082 0.000 1.251 2321 E HN -0.019 nan 8.360 nan 0.000 0.450 2322 L N 2.641 123.759 121.223 -0.176 0.000 2.318 2322 L HA 0.334 4.674 4.340 0.000 0.000 0.277 2322 L C -1.109 175.618 176.870 -0.239 0.000 1.008 2322 L CA -0.402 54.175 54.840 -0.438 0.000 0.846 2322 L CB 0.951 42.333 42.059 -1.130 0.000 1.220 2322 L HN 0.398 nan 8.230 nan 0.000 0.423 2323 D N 4.328 124.651 120.400 -0.129 0.000 2.352 2323 D HA 0.121 4.762 4.640 0.000 0.000 0.245 2323 D C 0.729 177.059 176.300 0.049 0.000 1.224 2323 D CA -0.024 53.961 54.000 -0.024 0.000 0.879 2323 D CB 0.740 41.549 40.800 0.015 0.000 1.057 2323 D HN 0.595 nan 8.370 nan 0.000 0.491 2324 L N 3.078 124.350 121.223 0.082 0.000 2.737 2324 L HA 0.051 4.391 4.340 0.000 0.000 0.246 2324 L C 0.995 178.098 176.870 0.389 0.000 1.153 2324 L CA 0.384 55.390 54.840 0.277 0.000 0.920 2324 L CB -0.586 41.587 42.059 0.190 0.000 1.090 2324 L HN 0.434 nan 8.230 nan 0.000 0.430 2325 T N -1.751 112.991 114.554 0.314 0.000 3.003 2325 T HA 0.191 4.541 4.350 0.000 0.000 0.261 2325 T C 0.540 175.512 174.700 0.454 0.000 1.003 2325 T CA -0.202 62.122 62.100 0.373 0.000 0.917 2325 T CB 0.553 69.502 68.868 0.135 0.000 1.084 2325 T HN 0.096 nan 8.240 nan 0.000 0.522 2326 L N 3.635 125.017 121.223 0.265 0.000 2.282 2326 L HA 0.275 4.616 4.340 0.000 0.000 0.287 2326 L C -1.830 175.016 176.870 -0.041 0.000 1.075 2326 L CA -2.371 52.529 54.840 0.099 0.000 0.839 2326 L CB 1.638 43.729 42.059 0.054 0.000 1.219 2326 L HN -0.095 nan 8.230 nan 0.000 0.434 2327 P HA -0.226 nan 4.420 nan 0.000 0.219 2327 P C 1.421 178.609 177.300 -0.186 0.000 1.158 2327 P CA 1.691 64.436 63.100 -0.591 0.000 0.895 2327 P CB 0.168 31.604 31.700 -0.441 0.000 0.792 2328 G N -0.693 108.054 108.800 -0.088 0.000 2.485 2328 G HA2 -0.288 3.672 3.960 0.000 0.000 0.221 2328 G HA3 -0.288 3.672 3.960 0.000 0.000 0.221 2328 G C 1.460 176.343 174.900 -0.029 0.000 1.115 2328 G CA 0.737 45.816 45.100 -0.035 0.000 0.751 2328 G HN 0.283 nan 8.290 nan 0.000 0.567 2329 N N -0.171 118.517 118.700 -0.020 0.000 2.512 2329 N HA 0.039 4.779 4.740 0.000 0.000 0.183 2329 N C 0.028 175.341 175.510 -0.329 0.000 1.073 2329 N CA 0.446 53.394 53.050 -0.171 0.000 0.911 2329 N CB -0.014 38.342 38.487 -0.217 0.000 0.964 2329 N HN 0.248 nan 8.380 nan 0.000 0.447 2330 F N 0.163 119.971 119.950 -0.237 0.000 2.461 2330 F HA 0.422 4.949 4.527 0.000 0.000 0.337 2330 F C 1.075 176.796 175.800 -0.131 0.000 1.079 2330 F CA -0.908 56.974 58.000 -0.198 0.000 1.032 2330 F CB 0.622 39.496 39.000 -0.210 0.000 1.327 2330 F HN -0.301 nan 8.300 nan 0.000 0.491 2331 R N 1.281 121.859 120.500 0.129 0.000 2.589 2331 R HA 0.185 4.526 4.340 0.000 0.000 0.293 2331 R C -1.417 174.966 176.300 0.137 0.000 0.963 2331 R CA -0.534 55.636 56.100 0.117 0.000 0.905 2331 R CB 1.397 31.762 30.300 0.109 0.000 1.144 2331 R HN 0.641 nan 8.270 nan 0.000 0.459 2332 D N 4.707 125.186 120.400 0.132 0.000 2.344 2332 D HA 0.043 4.683 4.640 0.000 0.000 0.253 2332 D C 0.990 177.375 176.300 0.141 0.000 1.255 2332 D CA -0.038 54.030 54.000 0.113 0.000 0.894 2332 D CB 0.643 41.502 40.800 0.098 0.000 1.067 2332 D HN 0.559 nan 8.370 nan 0.000 0.492 2333 L N 2.850 124.155 121.223 0.136 0.000 2.551 2333 L HA -0.096 4.244 4.340 0.000 0.000 0.228 2333 L C 2.126 179.117 176.870 0.201 0.000 1.153 2333 L CA 0.517 55.466 54.840 0.181 0.000 0.851 2333 L CB -0.230 41.919 42.059 0.150 0.000 0.959 2333 L HN 0.351 nan 8.230 nan 0.000 0.451 2334 S N -1.728 114.044 115.700 0.120 0.000 2.575 2334 S HA 0.114 4.585 4.470 0.000 0.000 0.215 2334 S C 0.605 175.248 174.600 0.071 0.000 0.966 2334 S CA -0.301 57.945 58.200 0.076 0.000 0.911 2334 S CB 0.044 63.271 63.200 0.044 0.000 0.780 2334 S HN 0.254 nan 8.310 nan 0.000 0.514 2335 K N 1.725 122.187 120.400 0.104 0.000 2.324 2335 K HA 0.539 4.859 4.320 0.000 0.000 0.253 2335 K C -3.081 173.583 176.600 0.108 0.000 0.932 2335 K CA -2.448 53.889 56.287 0.083 0.000 0.799 2335 K CB 1.704 34.255 32.500 0.085 0.000 1.154 2335 K HN 0.011 nan 8.250 nan 0.000 0.425 2336 P HA 0.021 nan 4.420 nan 0.000 0.271 2336 P C 0.756 178.098 177.300 0.070 0.000 1.244 2336 P CA -0.379 62.737 63.100 0.026 0.000 0.793 2336 P CB 0.474 32.142 31.700 -0.053 0.000 0.984 2337 I N 0.643 121.257 120.570 0.073 0.000 2.361 2337 I HA -0.126 4.044 4.170 0.000 0.000 0.251 2337 I C 2.196 178.339 176.117 0.042 0.000 1.133 2337 I CA 1.803 63.164 61.300 0.102 0.000 1.413 2337 I CB -1.929 36.170 38.000 0.164 0.000 1.073 2337 I HN 0.493 nan 8.210 nan 0.000 0.424 2338 G N 0.387 109.168 108.800 -0.032 0.000 2.443 2338 G HA2 -0.081 3.879 3.960 0.000 0.000 0.219 2338 G HA3 -0.081 3.879 3.960 0.000 0.000 0.219 2338 G C 1.526 176.582 174.900 0.261 0.000 1.131 2338 G CA 0.657 45.839 45.100 0.137 0.000 0.775 2338 G HN 0.479 nan 8.290 nan 0.000 0.547 2339 A N -0.122 122.797 122.820 0.165 0.000 2.337 2339 A HA 0.521 4.841 4.320 0.000 0.000 0.227 2339 A C 2.024 179.681 177.584 0.122 0.000 1.259 2339 A CA -0.166 51.962 52.037 0.152 0.000 0.870 2339 A CB -0.117 18.934 19.000 0.085 0.000 0.927 2339 A HN 0.322 nan 8.150 nan 0.000 0.497 2340 L N -0.603 120.689 121.223 0.115 0.000 2.095 2340 L HA -0.012 4.328 4.340 0.000 0.000 0.204 2340 L C 0.929 177.848 176.870 0.082 0.000 1.080 2340 L CA 0.498 55.398 54.840 0.100 0.000 0.759 2340 L CB -0.252 41.867 42.059 0.100 0.000 0.914 2340 L HN 0.390 nan 8.230 nan 0.000 0.439 2341 N N 0.412 119.155 118.700 0.071 0.000 2.415 2341 N HA 0.092 4.833 4.740 0.000 0.000 0.246 2341 N C -1.850 173.706 175.510 0.075 0.000 1.078 2341 N CA -1.734 51.347 53.050 0.053 0.000 0.942 2341 N CB 1.569 40.069 38.487 0.022 0.000 1.140 2341 N HN -0.150 nan 8.380 nan 0.000 0.501 2342 P HA -0.213 nan 4.420 nan 0.000 0.218 2342 P C 0.892 178.226 177.300 0.058 0.000 1.154 2342 P CA 1.695 64.831 63.100 0.060 0.000 0.872 2342 P CB 0.450 32.177 31.700 0.045 0.000 0.790 2343 K N -0.849 119.576 120.400 0.042 0.000 1.991 2343 K HA -0.100 4.221 4.320 0.000 0.000 0.207 2343 K C 2.362 178.986 176.600 0.039 0.000 1.045 2343 K CA 1.110 57.414 56.287 0.028 0.000 0.937 2343 K CB -0.420 32.081 32.500 0.003 0.000 0.720 2343 K HN -0.031 nan 8.250 nan 0.000 0.438 2344 R N 0.951 121.474 120.500 0.037 0.000 2.127 2344 R HA -0.169 4.172 4.340 0.000 0.000 0.238 2344 R C 2.195 178.570 176.300 0.125 0.000 1.134 2344 R CA 1.309 57.430 56.100 0.035 0.000 0.975 2344 R CB -0.229 30.120 30.300 0.081 0.000 0.865 2344 R HN 0.227 nan 8.270 nan 0.000 0.447 2345 A N 0.327 123.263 122.820 0.195 0.000 1.849 2345 A HA -0.191 4.130 4.320 0.000 0.000 0.217 2345 A C 2.223 179.912 177.584 0.174 0.000 1.202 2345 A CA 2.105 54.292 52.037 0.251 0.000 0.629 2345 A CB -0.976 18.120 19.000 0.161 0.000 0.834 2345 A HN 0.216 nan 8.150 nan 0.000 0.447 2346 V N -0.525 119.453 119.914 0.108 0.000 2.370 2346 V HA -0.327 3.793 4.120 0.000 0.000 0.252 2346 V C 2.309 178.441 176.094 0.064 0.000 1.068 2346 V CA 2.385 64.730 62.300 0.075 0.000 1.061 2346 V CB -1.373 30.485 31.823 0.059 0.000 0.656 2346 V HN 0.613 nan 8.190 nan 0.000 0.455 2347 F N 1.000 120.881 119.950 -0.115 0.000 2.043 2347 F HA -0.280 4.247 4.527 0.000 0.000 0.297 2347 F C 2.298 177.988 175.800 -0.183 0.000 1.118 2347 F CA 1.802 59.677 58.000 -0.209 0.000 1.202 2347 F CB -0.948 37.818 39.000 -0.390 0.000 0.965 2347 F HN 0.210 nan 8.300 nan 0.000 0.482 2348 Y N 0.352 120.444 120.300 -0.347 0.000 2.128 2348 Y HA -0.219 4.331 4.550 0.000 0.000 0.284 2348 Y C 2.752 178.500 175.900 -0.254 0.000 1.154 2348 Y CA 1.308 59.123 58.100 -0.475 0.000 1.149 2348 Y CB -1.187 37.091 38.460 -0.304 0.000 0.976 2348 Y HN 0.224 nan 8.280 nan 0.000 0.505 2349 A N 0.036 122.891 122.820 0.059 0.000 1.940 2349 A HA -0.287 4.033 4.320 0.000 0.000 0.219 2349 A C 2.089 179.670 177.584 -0.005 0.000 1.176 2349 A CA 2.009 54.084 52.037 0.064 0.000 0.631 2349 A CB -0.742 18.295 19.000 0.062 0.000 0.814 2349 A HN 0.581 nan 8.150 nan 0.000 0.446 2350 E N -0.358 119.798 120.200 -0.073 0.000 2.028 2350 E HA -0.230 4.120 4.350 0.000 0.000 0.191 2350 E C 2.278 178.809 176.600 -0.115 0.000 0.988 2350 E CA 1.135 57.489 56.400 -0.075 0.000 0.799 2350 E CB -0.223 29.438 29.700 -0.066 0.000 0.755 2350 E HN 0.560 nan 8.360 nan 0.000 0.447 2351 R N -0.654 119.694 120.500 -0.252 0.000 2.154 2351 R HA -0.253 4.087 4.340 0.000 0.000 0.248 2351 R C 2.137 178.390 176.300 -0.079 0.000 1.155 2351 R CA 1.846 57.812 56.100 -0.223 0.000 0.979 2351 R CB -0.415 29.636 30.300 -0.414 0.000 0.869 2351 R HN 0.346 nan 8.270 nan 0.000 0.452 2352 Y N 1.016 121.150 120.300 -0.277 0.000 2.130 2352 Y HA -0.135 4.416 4.550 0.000 0.000 0.287 2352 Y C 2.189 177.987 175.900 -0.170 0.000 1.124 2352 Y CA 1.916 59.800 58.100 -0.361 0.000 1.118 2352 Y CB -0.095 38.014 38.460 -0.585 0.000 0.994 2352 Y HN 0.071 nan 8.280 nan 0.000 0.497 2353 E N -0.350 119.861 120.200 0.018 0.000 2.023 2353 E HA -0.154 4.197 4.350 0.000 0.000 0.196 2353 E C 1.435 178.013 176.600 -0.037 0.000 1.003 2353 E CA 1.919 58.316 56.400 -0.005 0.000 0.809 2353 E CB -0.720 28.995 29.700 0.027 0.000 0.755 2353 E HN 0.431 nan 8.360 nan 0.000 0.449 2354 T N -1.150 113.385 114.554 -0.031 0.000 4.099 2354 T HA 0.009 4.359 4.350 0.000 0.000 0.223 2354 T C 0.785 175.460 174.700 -0.042 0.000 0.968 2354 T CA -0.517 61.556 62.100 -0.045 0.000 0.966 2354 T CB -0.765 68.068 68.868 -0.058 0.000 1.328 2354 T HN 0.270 nan 8.240 nan 0.000 0.783 2355 W N 2.451 123.588 121.300 -0.272 0.000 2.327 2355 W HA -0.018 4.643 4.660 0.000 0.000 0.320 2355 W C -0.056 176.318 176.519 -0.241 0.000 1.161 2355 W CA 0.746 57.896 57.345 -0.324 0.000 1.232 2355 W CB -0.015 29.191 29.460 -0.424 0.000 1.203 2355 W HN 0.594 nan 8.180 nan 0.000 0.453 2356 E N 1.723 121.746 120.200 -0.295 0.000 6.165 2356 E HA -0.231 4.119 4.350 0.000 0.000 0.190 2356 E C -0.283 175.962 176.600 -0.592 0.000 1.399 2356 E CA 0.791 56.977 56.400 -0.357 0.000 1.382 2356 E CB -1.087 28.442 29.700 -0.285 0.000 0.979 2356 E HN 0.405 nan 8.360 nan 0.000 0.311 2357 D N 1.068 121.230 120.400 -0.397 0.000 1.874 2357 D HA -0.061 4.579 4.640 0.000 0.000 0.411 2357 D C -0.074 176.166 176.300 -0.100 0.000 1.282 2357 D CA 0.592 54.393 54.000 -0.331 0.000 1.161 2357 D CB -0.089 40.394 40.800 -0.527 0.000 2.504 2357 D HN 0.359 nan 8.370 nan 0.000 0.334 2358 D N 1.334 121.748 120.400 0.024 0.000 2.751 2358 D HA -0.194 4.446 4.640 0.000 0.000 0.233 2358 D C 0.248 176.555 176.300 0.012 0.000 1.149 2358 D CA 1.265 55.284 54.000 0.031 0.000 0.682 2358 D CB -0.962 39.836 40.800 -0.005 0.000 1.068 2358 D HN 0.475 nan 8.370 nan 0.000 0.429 2359 Q N -0.730 119.089 119.800 0.030 0.000 1.988 2359 Q HA 0.124 4.464 4.340 0.000 0.000 0.199 2359 Q C -0.897 175.119 176.000 0.026 0.000 0.767 2359 Q CA 0.389 56.204 55.803 0.020 0.000 0.966 2359 Q CB 0.667 29.415 28.738 0.017 0.000 1.219 2359 Q HN 0.175 nan 8.270 nan 0.000 0.432 2360 S N 1.074 116.800 115.700 0.043 0.000 2.305 2360 S HA 0.325 4.795 4.470 0.000 0.000 0.208 2360 S C -2.872 171.737 174.600 0.015 0.000 0.797 2360 S CA -0.624 57.560 58.200 -0.026 0.000 1.007 2360 S CB 0.751 64.047 63.200 0.159 0.000 1.334 2360 S HN 0.020 nan 8.310 nan 0.000 0.380 2361 P HA 0.042 nan 4.420 nan 0.000 0.270 2361 P C -2.549 174.321 177.300 -0.718 0.000 1.181 2361 P CA -0.193 62.703 63.100 -0.341 0.000 0.767 2361 P CB -0.228 31.303 31.700 -0.281 0.000 0.799 2362 P HA 0.048 nan 4.420 nan 0.000 0.267 2362 P C -1.130 175.572 177.300 -0.997 0.000 1.200 2362 P CA 0.677 62.503 63.100 -2.123 0.000 0.772 2362 P CB 0.049 30.510 31.700 -2.065 0.000 0.855 2363 Y N -1.566 118.132 120.300 -1.003 0.000 2.558 2363 Y HA 0.450 5.001 4.550 0.000 0.000 0.333 2363 Y C 0.293 175.987 175.900 -0.344 0.000 1.125 2363 Y CA -0.861 57.016 58.100 -0.371 0.000 1.039 2363 Y CB 0.255 38.548 38.460 -0.278 0.000 1.331 2363 Y HN 0.326 nan 8.280 nan 0.000 0.456 2364 H N 1.229 120.275 119.070 -0.040 0.000 2.415 2364 H HA 0.213 4.769 4.556 0.000 0.000 0.297 2364 H C -0.915 173.990 175.328 -0.706 0.000 1.048 2364 H CA 1.836 57.565 56.048 -0.532 0.000 1.365 2364 H CB 0.093 29.220 29.762 -1.058 0.000 1.421 2364 H HN 0.580 nan 8.280 nan 0.000 0.533 2365 Y N -0.155 120.120 120.300 -0.041 0.000 2.499 2365 Y HA 0.230 4.780 4.550 0.000 0.000 0.347 2365 Y C 0.286 176.101 175.900 -0.141 0.000 0.987 2365 Y CA -1.565 56.446 58.100 -0.148 0.000 1.044 2365 Y CB 0.994 39.100 38.460 -0.590 0.000 1.245 2365 Y HN 0.089 nan 8.280 nan 0.000 0.461 2366 N N -1.823 116.963 118.700 0.144 0.000 2.203 2366 N HA 0.183 4.923 4.740 0.000 0.000 0.207 2366 N C -0.454 175.081 175.510 0.042 0.000 1.130 2366 N CA -0.059 52.936 53.050 -0.093 0.000 0.861 2366 N CB 0.660 39.198 38.487 0.085 0.000 1.005 2366 N HN 0.426 nan 8.380 nan 0.000 0.507 2367 T N -0.665 113.986 114.554 0.162 0.000 2.932 2367 T HA 0.270 4.620 4.350 0.000 0.000 0.289 2367 T C -1.404 173.471 174.700 0.291 0.000 1.039 2367 T CA -0.465 61.761 62.100 0.209 0.000 1.024 2367 T CB 1.718 70.714 68.868 0.212 0.000 1.090 2367 T HN 0.209 nan 8.240 nan 0.000 0.496 2368 H N -0.328 118.837 119.070 0.159 0.000 2.670 2368 H HA 0.417 4.973 4.556 0.000 0.000 0.361 2368 H C 0.410 175.757 175.328 0.032 0.000 1.169 2368 H CA -0.818 55.251 56.048 0.036 0.000 1.198 2368 H CB 0.844 30.467 29.762 -0.232 0.000 1.700 2368 H HN 0.733 nan 8.280 nan 0.000 0.542 2369 Y N 0.127 120.265 120.300 -0.271 0.000 2.457 2369 Y HA 0.195 4.745 4.550 0.000 0.000 0.292 2369 Y C 0.613 176.597 175.900 0.139 0.000 1.125 2369 Y CA 0.160 58.242 58.100 -0.029 0.000 1.254 2369 Y CB -0.006 38.364 38.460 -0.149 0.000 1.012 2369 Y HN 0.237 nan 8.280 nan 0.000 0.555 2370 S N 0.558 116.449 115.700 0.319 0.000 2.707 2370 S HA 0.594 5.065 4.470 0.000 0.000 0.303 2370 S C -0.648 174.015 174.600 0.106 0.000 1.132 2370 S CA -0.236 58.121 58.200 0.263 0.000 1.046 2370 S CB 0.800 64.159 63.200 0.265 0.000 1.004 2370 S HN 0.533 nan 8.310 nan 0.000 0.483 2371 T N 1.491 116.096 114.554 0.085 0.000 2.900 2371 T HA 0.708 5.058 4.350 0.000 0.000 0.303 2371 T C 1.190 175.883 174.700 -0.011 0.000 1.142 2371 T CA -0.148 61.961 62.100 0.014 0.000 1.007 2371 T CB 1.198 70.090 68.868 0.040 0.000 1.156 2371 T HN 0.649 nan 8.240 nan 0.000 0.490 2372 A N 1.725 124.533 122.820 -0.021 0.000 1.940 2372 A HA 0.016 4.337 4.320 0.000 0.000 0.219 2372 A C 2.228 179.785 177.584 -0.044 0.000 1.176 2372 A CA 2.543 54.559 52.037 -0.035 0.000 0.631 2372 A CB -1.683 17.327 19.000 0.017 0.000 0.814 2372 A HN 0.978 nan 8.150 nan 0.000 0.446 2373 T N -0.004 114.551 114.554 0.002 0.000 2.701 2373 T HA -0.108 4.242 4.350 0.000 0.000 0.263 2373 T C 2.224 176.839 174.700 -0.142 0.000 1.040 2373 T CA 1.597 63.696 62.100 -0.003 0.000 1.147 2373 T CB -0.489 68.412 68.868 0.056 0.000 0.865 2373 T HN 0.482 nan 8.240 nan 0.000 0.426 2374 S N 1.596 117.222 115.700 -0.123 0.000 2.374 2374 S HA -0.158 4.312 4.470 0.000 0.000 0.227 2374 S C 2.396 176.811 174.600 -0.309 0.000 1.037 2374 S CA 1.709 59.762 58.200 -0.245 0.000 1.024 2374 S CB -0.903 62.309 63.200 0.021 0.000 0.861 2374 S HN 0.604 nan 8.310 nan 0.000 0.456 2375 T N 3.097 117.556 114.554 -0.158 0.000 2.652 2375 T HA -0.026 4.324 4.350 0.000 0.000 0.267 2375 T C 1.805 176.248 174.700 -0.428 0.000 1.039 2375 T CA 1.137 63.072 62.100 -0.275 0.000 1.153 2375 T CB -0.613 67.897 68.868 -0.597 0.000 0.863 2375 T HN 0.228 nan 8.240 nan 0.000 0.428 2376 L N 0.987 121.951 121.223 -0.432 0.000 2.043 2376 L HA -0.174 4.166 4.340 0.000 0.000 0.212 2376 L C 2.927 179.453 176.870 -0.573 0.000 1.075 2376 L CA 1.260 55.821 54.840 -0.464 0.000 0.752 2376 L CB -0.738 41.151 42.059 -0.284 0.000 0.891 2376 L HN 0.283 nan 8.230 nan 0.000 0.432 2377 S N -0.835 114.492 115.700 -0.621 0.000 2.359 2377 S HA -0.241 4.229 4.470 0.000 0.000 0.223 2377 S C 1.542 175.821 174.600 -0.534 0.000 1.039 2377 S CA 1.841 59.644 58.200 -0.662 0.000 1.042 2377 S CB -0.645 62.128 63.200 -0.712 0.000 0.915 2377 S HN 0.457 nan 8.310 nan 0.000 0.439 2378 W N 1.551 122.593 121.300 -0.431 0.000 2.342 2378 W HA 0.058 4.719 4.660 0.000 0.000 0.297 2378 W C 0.902 177.173 176.519 -0.414 0.000 1.213 2378 W CA 0.197 57.195 57.345 -0.577 0.000 1.251 2378 W CB -0.306 28.912 29.460 -0.404 0.000 1.136 2378 W HN 0.176 nan 8.180 nan 0.000 0.526 2379 L N 0.746 121.864 121.223 -0.175 0.000 3.084 2379 L HA 0.183 4.523 4.340 0.000 0.000 0.238 2379 L C 1.210 178.029 176.870 -0.084 0.000 1.327 2379 L CA -0.432 54.311 54.840 -0.162 0.000 1.094 2379 L CB 0.027 41.890 42.059 -0.326 0.000 1.477 2379 L HN -0.143 nan 8.230 nan 0.000 0.514 2380 V N 0.303 120.155 119.914 -0.104 0.000 2.951 2380 V HA -0.020 4.100 4.120 0.000 0.000 0.255 2380 V C 1.950 178.067 176.094 0.038 0.000 1.088 2380 V CA 1.193 63.445 62.300 -0.080 0.000 1.109 2380 V CB -0.069 31.651 31.823 -0.172 0.000 0.724 2380 V HN 0.607 nan 8.190 nan 0.000 0.471 2381 R N -0.085 120.419 120.500 0.008 0.000 2.449 2381 R HA 0.468 4.808 4.340 0.000 0.000 0.262 2381 R C -0.628 175.699 176.300 0.045 0.000 1.006 2381 R CA 0.161 56.264 56.100 0.006 0.000 1.104 2381 R CB 0.052 30.326 30.300 -0.043 0.000 1.206 2381 R HN 0.428 nan 8.270 nan 0.000 0.538 2382 I N -0.125 120.507 120.570 0.105 0.000 2.842 2382 I HA 0.171 4.341 4.170 0.000 0.000 0.297 2382 I C -1.056 175.101 176.117 0.067 0.000 1.380 2382 I CA -1.033 60.319 61.300 0.086 0.000 1.018 2382 I CB 2.595 40.679 38.000 0.139 0.000 1.311 2382 I HN 0.004 nan 8.210 nan 0.000 0.439 2383 E N 4.339 124.407 120.200 -0.220 0.000 2.431 2383 E HA 0.599 4.950 4.350 0.000 0.000 0.268 2383 E C -2.375 173.731 176.600 -0.823 0.000 0.953 2383 E CA -1.651 54.476 56.400 -0.455 0.000 0.810 2383 E CB -0.028 29.483 29.700 -0.315 0.000 1.369 2383 E HN 0.108 nan 8.360 nan 0.000 0.440 2384 P HA -0.309 nan 4.420 nan 0.000 0.230 2384 P C 0.622 177.843 177.300 -0.132 0.000 1.150 2384 P CA 1.972 64.819 63.100 -0.421 0.000 0.933 2384 P CB -0.233 31.272 31.700 -0.325 0.000 0.785 2385 F N -1.158 118.805 119.950 0.022 0.000 2.054 2385 F HA -0.359 4.169 4.527 0.000 0.000 0.294 2385 F C 2.455 178.364 175.800 0.183 0.000 1.126 2385 F CA 1.677 59.732 58.000 0.092 0.000 1.226 2385 F CB -2.106 36.890 39.000 -0.007 0.000 0.947 2385 F HN -0.051 nan 8.300 nan 0.000 0.509 2386 T N -0.353 114.385 114.554 0.306 0.000 2.597 2386 T HA -0.246 4.104 4.350 0.000 0.000 0.267 2386 T C 1.808 176.665 174.700 0.262 0.000 1.053 2386 T CA 2.407 64.699 62.100 0.320 0.000 1.165 2386 T CB -0.854 68.150 68.868 0.226 0.000 0.863 2386 T HN 0.361 nan 8.240 nan 0.000 0.427 2387 T N 1.733 116.363 114.554 0.128 0.000 2.720 2387 T HA -0.079 4.272 4.350 0.000 0.000 0.268 2387 T C 1.597 176.389 174.700 0.154 0.000 1.037 2387 T CA 1.230 63.381 62.100 0.084 0.000 1.144 2387 T CB -0.592 68.295 68.868 0.031 0.000 0.864 2387 T HN 0.353 nan 8.240 nan 0.000 0.444 2388 F N 1.312 121.318 119.950 0.094 0.000 2.102 2388 F HA -0.010 4.518 4.527 0.000 0.000 0.298 2388 F C 1.915 177.821 175.800 0.176 0.000 1.105 2388 F CA 0.575 58.649 58.000 0.123 0.000 1.239 2388 F CB -0.604 38.492 39.000 0.160 0.000 0.991 2388 F HN 0.073 nan 8.300 nan 0.000 0.474 2389 F N 1.040 121.033 119.950 0.072 0.000 2.065 2389 F HA -0.239 4.288 4.527 0.000 0.000 0.298 2389 F C 2.084 177.797 175.800 -0.144 0.000 1.112 2389 F CA 1.785 59.766 58.000 -0.032 0.000 1.212 2389 F CB -0.984 38.106 39.000 0.150 0.000 0.975 2389 F HN -0.029 nan 8.300 nan 0.000 0.476 2390 L N -0.116 121.054 121.223 -0.087 0.000 2.187 2390 L HA -0.278 4.062 4.340 0.000 0.000 0.213 2390 L C 2.086 178.787 176.870 -0.281 0.000 1.100 2390 L CA 1.248 55.910 54.840 -0.297 0.000 0.765 2390 L CB -0.705 41.166 42.059 -0.312 0.000 0.904 2390 L HN 0.213 nan 8.230 nan 0.000 0.437 2391 N N -0.332 118.214 118.700 -0.256 0.000 2.376 2391 N HA -0.010 4.730 4.740 0.000 0.000 0.177 2391 N C 1.885 177.177 175.510 -0.362 0.000 1.024 2391 N CA 1.110 54.003 53.050 -0.262 0.000 0.893 2391 N CB 0.092 38.457 38.487 -0.204 0.000 0.980 2391 N HN 0.277 nan 8.380 nan 0.000 0.439 2392 A N 1.773 124.283 122.820 -0.516 0.000 1.855 2392 A HA -0.085 4.236 4.320 0.000 0.000 0.215 2392 A C 1.677 179.048 177.584 -0.354 0.000 1.191 2392 A CA 1.336 53.081 52.037 -0.486 0.000 0.613 2392 A CB -0.651 18.066 19.000 -0.470 0.000 0.829 2392 A HN 0.217 nan 8.150 nan 0.000 0.442 2393 N N 0.996 119.427 118.700 -0.450 0.000 2.567 2393 N HA 0.055 4.795 4.740 0.000 0.000 0.195 2393 N C -0.842 174.515 175.510 -0.254 0.000 1.242 2393 N CA 0.698 53.521 53.050 -0.378 0.000 0.884 2393 N CB -0.229 37.952 38.487 -0.511 0.000 1.007 2393 N HN 0.359 nan 8.380 nan 0.000 0.450 2394 D N -0.662 119.598 120.400 -0.232 0.000 2.927 2394 D HA -0.182 4.459 4.640 0.000 0.000 0.236 2394 D C 1.031 177.236 176.300 -0.159 0.000 1.163 2394 D CA 1.190 55.089 54.000 -0.169 0.000 0.801 2394 D CB -1.097 39.628 40.800 -0.126 0.000 0.975 2394 D HN 0.528 nan 8.370 nan 0.000 0.413 2395 G N -0.567 108.123 108.800 -0.183 0.000 1.929 2395 G HA2 -0.166 3.794 3.960 0.000 0.000 0.219 2395 G HA3 -0.166 3.794 3.960 0.000 0.000 0.219 2395 G C 0.023 174.789 174.900 -0.225 0.000 2.200 2395 G CA 0.315 45.314 45.100 -0.168 0.000 1.552 2395 G HN 0.457 nan 8.290 nan 0.000 0.498 2396 K N -0.340 119.920 120.400 -0.234 0.000 2.246 2396 K HA 0.815 5.135 4.320 0.000 0.000 0.239 2396 K C 0.180 176.586 176.600 -0.325 0.000 1.089 2396 K CA -1.004 55.094 56.287 -0.315 0.000 0.892 2396 K CB 0.186 32.580 32.500 -0.175 0.000 1.334 2396 K HN 0.107 nan 8.250 nan 0.000 0.507 2397 F N 0.499 120.405 119.950 -0.074 0.000 2.373 2397 F HA 0.084 4.611 4.527 0.000 0.000 0.285 2397 F C 0.969 176.711 175.800 -0.097 0.000 1.256 2397 F CA 0.474 58.440 58.000 -0.056 0.000 1.297 2397 F CB -0.038 39.000 39.000 0.064 0.000 1.400 2397 F HN 0.488 nan 8.300 nan 0.000 0.505 2398 D N -2.460 118.107 120.400 0.279 0.000 2.392 2398 D HA 0.169 4.809 4.640 0.000 0.000 0.246 2398 D C -1.176 175.238 176.300 0.189 0.000 1.013 2398 D CA -0.578 53.522 54.000 0.167 0.000 0.993 2398 D CB 0.612 41.547 40.800 0.226 0.000 1.219 2398 D HN 0.374 nan 8.370 nan 0.000 0.538 2399 H N 1.214 120.322 119.070 0.064 0.000 3.157 2399 H HA 0.096 4.653 4.556 0.000 0.000 0.299 2399 H C -1.808 173.548 175.328 0.047 0.000 0.961 2399 H CA -1.107 54.969 56.048 0.047 0.000 1.428 2399 H CB 0.968 30.750 29.762 0.033 0.000 1.459 2399 H HN 0.241 nan 8.280 nan 0.000 0.566 2400 P HA -0.237 nan 4.420 nan 0.000 0.218 2400 P C 0.888 178.004 177.300 -0.308 0.000 1.154 2400 P CA 1.930 64.861 63.100 -0.282 0.000 0.872 2400 P CB 0.322 31.870 31.700 -0.253 0.000 0.790 2401 D N -1.476 118.590 120.400 -0.557 0.000 2.224 2401 D HA -0.061 4.579 4.640 0.000 0.000 0.205 2401 D C 1.378 177.644 176.300 -0.057 0.000 0.965 2401 D CA 0.874 54.729 54.000 -0.243 0.000 0.852 2401 D CB -0.173 40.525 40.800 -0.169 0.000 0.947 2401 D HN 0.258 nan 8.370 nan 0.000 0.494 2402 R N 0.135 120.632 120.500 -0.005 0.000 2.586 2402 R HA 0.192 4.533 4.340 0.000 0.000 0.306 2402 R C -0.226 176.118 176.300 0.073 0.000 1.079 2402 R CA 0.048 56.199 56.100 0.085 0.000 1.083 2402 R CB 0.807 31.204 30.300 0.163 0.000 1.306 2402 R HN -0.113 nan 8.270 nan 0.000 0.567 2403 T N -0.025 114.549 114.554 0.034 0.000 2.893 2403 T HA 0.203 4.554 4.350 0.000 0.000 0.291 2403 T C -1.041 173.697 174.700 0.063 0.000 1.028 2403 T CA -0.576 61.556 62.100 0.054 0.000 0.995 2403 T CB 1.385 70.273 68.868 0.033 0.000 1.051 2403 T HN 0.004 nan 8.240 nan 0.000 0.470 2404 F N 3.883 123.764 119.950 -0.115 0.000 2.538 2404 F HA 0.249 4.776 4.527 0.000 0.000 0.382 2404 F C 1.208 176.969 175.800 -0.065 0.000 1.069 2404 F CA -0.281 57.666 58.000 -0.089 0.000 1.138 2404 F CB 0.100 39.026 39.000 -0.124 0.000 1.068 2404 F HN 0.569 nan 8.300 nan 0.000 0.556 2405 S N 1.421 116.923 115.700 -0.330 0.000 2.648 2405 S HA 0.264 4.734 4.470 0.000 0.000 0.270 2405 S C -0.170 174.184 174.600 -0.410 0.000 1.080 2405 S CA 0.327 58.308 58.200 -0.365 0.000 1.159 2405 S CB -0.152 62.936 63.200 -0.187 0.000 1.091 2405 S HN 0.660 nan 8.310 nan 0.000 0.605 2406 S N 0.212 115.694 115.700 -0.364 0.000 2.563 2406 S HA 0.525 4.996 4.470 0.000 0.000 0.279 2406 S C 0.235 174.838 174.600 0.005 0.000 1.155 2406 S CA -0.142 57.922 58.200 -0.227 0.000 0.928 2406 S CB 1.327 64.460 63.200 -0.112 0.000 1.107 2406 S HN 0.392 nan 8.310 nan 0.000 0.462 2407 V N 2.686 122.602 119.914 0.003 0.000 2.392 2407 V HA -0.118 4.002 4.120 0.000 0.000 0.249 2407 V C 2.454 178.593 176.094 0.075 0.000 1.059 2407 V CA 2.879 65.303 62.300 0.206 0.000 1.051 2407 V CB -1.000 30.727 31.823 -0.160 0.000 0.658 2407 V HN 1.121 nan 8.190 nan 0.000 0.455 2408 A N -0.014 122.806 122.820 0.000 0.000 1.877 2408 A HA -0.231 4.089 4.320 0.000 0.000 0.216 2408 A C 2.387 180.115 177.584 0.241 0.000 1.186 2408 A CA 2.012 54.140 52.037 0.151 0.000 0.620 2408 A CB -0.701 18.404 19.000 0.175 0.000 0.822 2408 A HN 0.606 nan 8.150 nan 0.000 0.443 2409 R N -0.133 120.468 120.500 0.170 0.000 2.070 2409 R HA -0.109 4.231 4.340 0.000 0.000 0.233 2409 R C 2.436 178.862 176.300 0.211 0.000 1.137 2409 R CA 1.855 58.047 56.100 0.153 0.000 0.945 2409 R CB -0.352 30.003 30.300 0.092 0.000 0.845 2409 R HN 0.493 nan 8.270 nan 0.000 0.430 2410 S N 0.342 116.242 115.700 0.333 0.000 2.374 2410 S HA -0.226 4.245 4.470 0.000 0.000 0.227 2410 S C 1.368 176.220 174.600 0.421 0.000 1.037 2410 S CA 1.402 59.876 58.200 0.457 0.000 1.024 2410 S CB -0.584 63.108 63.200 0.820 0.000 0.861 2410 S HN 0.565 nan 8.310 nan 0.000 0.456 2411 W N 2.958 124.357 121.300 0.165 0.000 2.355 2411 W HA -0.152 4.508 4.660 0.000 0.000 0.309 2411 W C 2.050 178.524 176.519 -0.076 0.000 1.206 2411 W CA 1.158 58.404 57.345 -0.165 0.000 1.284 2411 W CB -0.293 29.037 29.460 -0.216 0.000 1.145 2411 W HN 0.246 nan 8.180 nan 0.000 0.502 2412 R N -0.075 120.358 120.500 -0.112 0.000 2.083 2412 R HA -0.151 4.189 4.340 0.000 0.000 0.237 2412 R C 2.141 178.320 176.300 -0.203 0.000 1.137 2412 R CA 2.429 58.396 56.100 -0.221 0.000 0.951 2412 R CB -1.256 29.038 30.300 -0.010 0.000 0.851 2412 R HN 0.142 nan 8.270 nan 0.000 0.434 2413 T N 1.213 115.732 114.554 -0.058 0.000 2.737 2413 T HA -0.138 4.213 4.350 0.000 0.000 0.269 2413 T C 1.714 176.382 174.700 -0.053 0.000 1.040 2413 T CA 1.833 63.924 62.100 -0.014 0.000 1.142 2413 T CB -0.261 68.647 68.868 0.067 0.000 0.861 2413 T HN 0.397 nan 8.240 nan 0.000 0.456 2414 S N 0.310 115.936 115.700 -0.124 0.000 2.763 2414 S HA 0.213 4.683 4.470 0.000 0.000 0.237 2414 S C 1.221 175.603 174.600 -0.363 0.000 0.966 2414 S CA -0.255 57.856 58.200 -0.147 0.000 1.017 2414 S CB 0.075 63.249 63.200 -0.043 0.000 0.780 2414 S HN 0.257 nan 8.310 nan 0.000 0.476 2415 Q N 0.531 120.120 119.800 -0.351 0.000 2.427 2415 Q HA 0.197 4.537 4.340 0.000 0.000 0.249 2415 Q C 1.983 177.899 176.000 -0.141 0.000 0.783 2415 Q CA 0.272 55.870 55.803 -0.343 0.000 0.978 2415 Q CB 0.040 28.432 28.738 -0.575 0.000 1.273 2415 Q HN 0.596 nan 8.270 nan 0.000 0.524 2416 R N 0.859 121.290 120.500 -0.116 0.000 2.167 2416 R HA 0.067 4.408 4.340 0.000 0.000 0.201 2416 R C 0.107 176.382 176.300 -0.041 0.000 1.024 2416 R CA 0.383 56.441 56.100 -0.069 0.000 1.053 2416 R CB -0.330 29.928 30.300 -0.069 0.000 0.987 2416 R HN -0.060 nan 8.270 nan 0.000 0.493 2417 D N 2.339 122.730 120.400 -0.016 0.000 2.412 2417 D HA -0.059 4.581 4.640 0.000 0.000 0.257 2417 D C 0.443 176.794 176.300 0.084 0.000 1.217 2417 D CA 0.435 54.447 54.000 0.020 0.000 0.897 2417 D CB 1.441 42.266 40.800 0.041 0.000 1.132 2417 D HN 0.200 nan 8.370 nan 0.000 0.493 2418 T N 1.919 116.505 114.554 0.054 0.000 2.897 2418 T HA -0.126 4.224 4.350 0.000 0.000 0.271 2418 T C 1.146 176.046 174.700 0.333 0.000 1.084 2418 T CA 1.137 63.334 62.100 0.161 0.000 1.123 2418 T CB 0.129 68.960 68.868 -0.061 0.000 0.865 2418 T HN 0.218 nan 8.240 nan 0.000 0.496 2419 S N 1.222 117.055 115.700 0.222 0.000 2.526 2419 S HA 0.242 4.712 4.470 0.000 0.000 0.245 2419 S C -0.472 174.245 174.600 0.194 0.000 1.103 2419 S CA -0.584 57.753 58.200 0.229 0.000 1.095 2419 S CB 0.213 63.522 63.200 0.180 0.000 0.826 2419 S HN 0.490 nan 8.310 nan 0.000 0.468 2420 D N 1.848 122.366 120.400 0.197 0.000 2.381 2420 D HA 0.151 4.792 4.640 0.000 0.000 0.245 2420 D C 0.114 176.519 176.300 0.176 0.000 1.297 2420 D CA -0.234 53.868 54.000 0.170 0.000 0.931 2420 D CB 1.176 42.054 40.800 0.131 0.000 1.334 2420 D HN 0.177 nan 8.370 nan 0.000 0.535 2421 V N 0.639 120.663 119.914 0.184 0.000 3.043 2421 V HA 0.362 4.482 4.120 0.000 0.000 0.357 2421 V C 0.833 177.082 176.094 0.259 0.000 1.372 2421 V CA -0.675 61.711 62.300 0.143 0.000 1.214 2421 V CB -0.641 31.154 31.823 -0.046 0.000 1.224 2421 V HN 0.158 nan 8.190 nan 0.000 0.507 2422 K N 1.509 122.114 120.400 0.340 0.000 2.559 2422 K HA 0.146 4.467 4.320 0.000 0.000 0.279 2422 K C 0.090 177.044 176.600 0.590 0.000 0.967 2422 K CA 0.639 57.201 56.287 0.458 0.000 1.000 2422 K CB 0.525 33.352 32.500 0.546 0.000 0.890 2422 K HN 0.516 nan 8.250 nan 0.000 0.501 2423 E N 1.244 121.706 120.200 0.436 0.000 2.299 2423 E HA 0.326 4.676 4.350 0.000 0.000 0.260 2423 E C -0.995 175.481 176.600 -0.206 0.000 0.944 2423 E CA -0.757 55.793 56.400 0.249 0.000 0.815 2423 E CB 0.870 30.715 29.700 0.242 0.000 1.252 2423 E HN 0.217 nan 8.360 nan 0.000 0.418 2424 L N 1.421 122.223 121.223 -0.701 0.000 2.505 2424 L HA 0.509 4.849 4.340 0.000 0.000 0.226 2424 L C -0.023 176.580 176.870 -0.445 0.000 1.211 2424 L CA -0.141 54.033 54.840 -1.111 0.000 0.828 2424 L CB 0.408 41.611 42.059 -1.427 0.000 1.331 2424 L HN 0.622 nan 8.230 nan 0.000 0.513 2425 I N -3.979 116.361 120.570 -0.382 0.000 2.865 2425 I HA 0.436 4.606 4.170 0.000 0.000 0.302 2425 I C -2.243 173.926 176.117 0.087 0.000 1.140 2425 I CA -2.029 59.294 61.300 0.039 0.000 1.021 2425 I CB 1.712 39.816 38.000 0.174 0.000 1.233 2425 I HN 0.311 nan 8.210 nan 0.000 0.427 2426 P HA -0.267 nan 4.420 nan 0.000 0.222 2426 P C 1.027 178.507 177.300 0.300 0.000 1.159 2426 P CA 1.950 64.934 63.100 -0.194 0.000 0.920 2426 P CB 0.130 31.858 31.700 0.046 0.000 0.793 2427 E N -1.455 118.838 120.200 0.155 0.000 2.136 2427 E HA -0.230 4.120 4.350 0.000 0.000 0.208 2427 E C 1.614 178.078 176.600 -0.228 0.000 1.035 2427 E CA 1.427 57.621 56.400 -0.343 0.000 0.838 2427 E CB -1.390 28.173 29.700 -0.229 0.000 0.748 2427 E HN 0.308 nan 8.360 nan 0.000 0.459 2428 F N -1.302 118.544 119.950 -0.172 0.000 2.549 2428 F HA -0.166 4.361 4.527 0.000 0.000 0.295 2428 F C 0.813 176.376 175.800 -0.396 0.000 1.124 2428 F CA 0.938 58.825 58.000 -0.189 0.000 1.482 2428 F CB -0.179 38.544 39.000 -0.461 0.000 1.108 2428 F HN 0.124 nan 8.300 nan 0.000 0.602 2429 Y N -2.795 117.610 120.300 0.176 0.000 2.675 2429 Y HA 0.136 4.686 4.550 0.000 0.000 0.248 2429 Y C 0.564 176.590 175.900 0.211 0.000 1.161 2429 Y CA -0.602 57.618 58.100 0.200 0.000 1.203 2429 Y CB -0.211 38.455 38.460 0.345 0.000 1.262 2429 Y HN 0.206 nan 8.280 nan 0.000 0.544 2430 Y N -3.890 116.505 120.300 0.159 0.000 2.690 2430 Y HA 0.330 4.880 4.550 0.000 0.000 0.306 2430 Y C -1.010 174.944 175.900 0.090 0.000 0.927 2430 Y CA -1.010 57.130 58.100 0.067 0.000 1.039 2430 Y CB 0.042 38.491 38.460 -0.018 0.000 1.437 2430 Y HN -0.103 nan 8.280 nan 0.000 0.585 2431 L N 4.678 125.632 121.223 -0.448 0.000 2.321 2431 L HA 0.601 4.942 4.340 0.000 0.000 0.272 2431 L C -2.158 174.733 176.870 0.034 0.000 1.050 2431 L CA -2.059 52.629 54.840 -0.254 0.000 0.893 2431 L CB 1.208 42.983 42.059 -0.474 0.000 1.272 2431 L HN -0.135 nan 8.230 nan 0.000 0.435 2432 P HA -0.087 nan 4.420 nan 0.000 0.215 2432 P C 0.055 177.497 177.300 0.237 0.000 1.157 2432 P CA 0.802 64.035 63.100 0.223 0.000 0.863 2432 P CB 0.240 32.005 31.700 0.109 0.000 0.787 2436 V N -2.320 117.613 119.914 0.031 0.000 3.119 2436 V HA 0.703 4.824 4.120 0.000 0.000 0.311 2436 V C -1.053 175.025 176.094 -0.028 0.000 1.259 2436 V CA -0.730 61.570 62.300 0.000 0.000 1.067 2436 V CB 2.328 34.162 31.823 0.018 0.000 1.123 2436 V HN 0.143 nan 8.190 nan 0.000 0.463 2437 N N 0.471 119.155 118.700 -0.025 0.000 2.448 2437 N HA 0.675 5.415 4.740 0.000 0.000 0.279 2437 N C -1.100 174.409 175.510 -0.003 0.000 1.025 2437 N CA 0.029 53.064 53.050 -0.025 0.000 0.898 2437 N CB 2.070 40.531 38.487 -0.044 0.000 1.303 2437 N HN 0.953 nan 8.380 nan 0.000 0.495 2454 D N 0.440 120.761 120.400 -0.131 0.000 2.529 2454 D HA 0.336 4.977 4.640 0.000 0.000 0.273 2454 D C -0.367 175.808 176.300 -0.210 0.000 1.197 2454 D CA -0.293 53.620 54.000 -0.145 0.000 1.070 2454 D CB 0.983 41.723 40.800 -0.100 0.000 1.134 2454 D HN 0.094 nan 8.370 nan 0.000 0.590 2455 V N 1.424 121.199 119.914 -0.231 0.000 2.455 2455 V HA 0.036 4.156 4.120 0.000 0.000 0.273 2455 V C -0.297 175.636 176.094 -0.268 0.000 1.045 2455 V CA -0.445 61.649 62.300 -0.344 0.000 0.976 2455 V CB 0.699 32.320 31.823 -0.337 0.000 0.993 2455 V HN 0.308 nan 8.190 nan 0.000 0.475 2456 D N 5.767 126.007 120.400 -0.268 0.000 2.346 2456 D HA 0.217 4.858 4.640 0.000 0.000 0.267 2456 D C 0.138 176.271 176.300 -0.279 0.000 1.320 2456 D CA 0.294 54.163 54.000 -0.219 0.000 0.951 2456 D CB 0.397 41.099 40.800 -0.162 0.000 1.079 2456 D HN 0.341 nan 8.370 nan 0.000 0.509 2457 L N 3.486 124.517 121.223 -0.321 0.000 2.436 2457 L HA 0.280 4.620 4.340 0.000 0.000 0.265 2457 L C -1.752 174.876 176.870 -0.404 0.000 1.168 2457 L CA -1.786 52.779 54.840 -0.459 0.000 0.815 2457 L CB 0.075 41.861 42.059 -0.454 0.000 1.109 2457 L HN 0.045 nan 8.230 nan 0.000 0.462 2458 P HA 0.057 nan 4.420 nan 0.000 0.270 2458 P C -2.080 174.890 177.300 -0.549 0.000 1.227 2458 P CA -0.886 61.871 63.100 -0.572 0.000 0.788 2458 P CB 0.064 31.113 31.700 -1.084 0.000 0.926 2459 P HA -0.175 nan 4.420 nan 0.000 0.214 2459 P C 1.178 178.425 177.300 -0.088 0.000 1.163 2459 P CA 1.640 64.670 63.100 -0.116 0.000 0.889 2459 P CB -0.528 31.202 31.700 0.050 0.000 0.790 2460 W N -0.570 120.753 121.300 0.039 0.000 2.611 2460 W HA 0.240 4.901 4.660 0.000 0.000 0.251 2460 W C 0.091 176.637 176.519 0.045 0.000 1.265 2460 W CA 0.376 57.742 57.345 0.034 0.000 1.295 2460 W CB -1.382 28.094 29.460 0.027 0.000 1.129 2460 W HN -0.087 nan 8.180 nan 0.000 0.630 2461 A N 2.560 125.147 122.820 -0.388 0.000 2.412 2461 A HA 0.347 4.668 4.320 0.000 0.000 0.334 2461 A C 1.111 178.571 177.584 -0.207 0.000 1.419 2461 A CA -0.643 51.216 52.037 -0.297 0.000 0.930 2461 A CB 0.618 19.284 19.000 -0.556 0.000 1.149 2461 A HN -0.097 nan 8.150 nan 0.000 0.515 2462 K N 2.059 122.404 120.400 -0.091 0.000 1.997 2462 K HA 0.064 4.385 4.320 0.000 0.000 0.212 2462 K C 0.393 176.936 176.600 -0.094 0.000 1.033 2462 K CA 1.165 57.405 56.287 -0.078 0.000 0.950 2462 K CB -0.524 31.958 32.500 -0.030 0.000 0.751 2462 K HN 0.627 nan 8.250 nan 0.000 0.444 2463 K N 0.707 121.069 120.400 -0.064 0.000 2.090 2463 K HA 0.157 4.477 4.320 0.000 0.000 0.249 2463 K C -1.872 174.675 176.600 -0.088 0.000 0.995 2463 K CA -1.865 54.383 56.287 -0.064 0.000 0.914 2463 K CB 0.682 33.164 32.500 -0.030 0.000 1.057 2463 K HN -0.221 nan 8.250 nan 0.000 0.462 2464 P HA -0.169 nan 4.420 nan 0.000 0.216 2464 P C 0.296 177.553 177.300 -0.072 0.000 1.150 2464 P CA 1.336 64.358 63.100 -0.130 0.000 0.837 2464 P CB 0.279 31.974 31.700 -0.008 0.000 0.786 2465 E N -0.700 119.491 120.200 -0.016 0.000 2.209 2465 E HA -0.173 4.177 4.350 0.000 0.000 0.196 2465 E C 1.592 178.196 176.600 0.006 0.000 0.993 2465 E CA 1.163 57.567 56.400 0.008 0.000 0.819 2465 E CB -0.826 28.885 29.700 0.018 0.000 0.745 2465 E HN 0.323 nan 8.360 nan 0.000 0.477 2466 D N -0.479 119.924 120.400 0.004 0.000 2.103 2466 D HA -0.112 4.528 4.640 0.000 0.000 0.199 2466 D C 1.614 177.952 176.300 0.064 0.000 0.978 2466 D CA 0.556 54.578 54.000 0.037 0.000 0.829 2466 D CB -0.406 40.416 40.800 0.038 0.000 0.981 2466 D HN 0.149 nan 8.370 nan 0.000 0.464 2467 F N 1.739 121.587 119.950 -0.171 0.000 2.154 2467 F HA -0.231 4.297 4.527 0.000 0.000 0.301 2467 F C 2.045 177.790 175.800 -0.092 0.000 1.087 2467 F CA 1.045 58.922 58.000 -0.205 0.000 1.274 2467 F CB -0.277 38.397 39.000 -0.543 0.000 1.009 2467 F HN -0.205 nan 8.300 nan 0.000 0.485 2468 V N 0.769 120.562 119.914 -0.202 0.000 2.358 2468 V HA -0.260 3.861 4.120 0.000 0.000 0.246 2468 V C 2.460 178.503 176.094 -0.086 0.000 1.047 2468 V CA 2.246 64.434 62.300 -0.187 0.000 1.035 2468 V CB -0.722 31.089 31.823 -0.020 0.000 0.658 2468 V HN 0.254 nan 8.190 nan 0.000 0.452 2469 R N -0.071 120.418 120.500 -0.018 0.000 2.066 2469 R HA -0.025 4.315 4.340 0.000 0.000 0.232 2469 R C 2.282 178.602 176.300 0.033 0.000 1.131 2469 R CA 1.599 57.715 56.100 0.025 0.000 0.955 2469 R CB -0.430 29.893 30.300 0.038 0.000 0.851 2469 R HN 0.411 nan 8.270 nan 0.000 0.432 2470 I N 1.130 121.728 120.570 0.048 0.000 2.226 2470 I HA -0.278 3.892 4.170 0.000 0.000 0.245 2470 I C 2.183 178.292 176.117 -0.014 0.000 1.100 2470 I CA 1.203 62.538 61.300 0.059 0.000 1.374 2470 I CB -0.398 37.733 38.000 0.218 0.000 1.057 2470 I HN 0.202 nan 8.210 nan 0.000 0.413 2471 N N 0.958 119.599 118.700 -0.099 0.000 2.120 2471 N HA -0.167 4.574 4.740 0.000 0.000 0.188 2471 N C 1.231 176.820 175.510 0.132 0.000 1.024 2471 N CA 0.868 53.824 53.050 -0.156 0.000 0.852 2471 N CB -0.048 38.070 38.487 -0.615 0.000 1.003 2471 N HN 0.078 nan 8.380 nan 0.000 0.424 2475 L N 0.806 122.197 121.223 0.281 0.000 2.189 2475 L HA -0.057 4.284 4.340 0.000 0.000 0.214 2475 L C 1.401 178.389 176.870 0.196 0.000 1.097 2475 L CA 2.739 57.708 54.840 0.215 0.000 0.764 2475 L CB -0.236 41.885 42.059 0.103 0.000 0.900 2475 L HN 0.468 nan 8.230 nan 0.000 0.436 2476 E N -0.699 119.618 120.200 0.195 0.000 2.460 2476 E HA 0.137 4.488 4.350 0.000 0.000 0.200 2476 E C 1.074 177.749 176.600 0.124 0.000 1.011 2476 E CA 0.601 57.097 56.400 0.161 0.000 0.912 2476 E CB -0.076 29.708 29.700 0.139 0.000 0.953 2476 E HN 0.629 nan 8.360 nan 0.000 0.494 2477 S N 1.042 116.833 115.700 0.151 0.000 2.563 2477 S HA -0.053 4.417 4.470 0.000 0.000 0.269 2477 S C 1.220 175.830 174.600 0.018 0.000 1.364 2477 S CA -0.086 58.171 58.200 0.096 0.000 1.010 2477 S CB 1.290 64.615 63.200 0.207 0.000 0.877 2477 S HN -0.092 nan 8.310 nan 0.000 0.549 2478 E N 0.714 120.846 120.200 -0.114 0.000 2.268 2478 E HA -0.002 4.348 4.350 0.000 0.000 0.195 2478 E C 1.153 177.652 176.600 -0.167 0.000 0.995 2478 E CA 1.036 57.333 56.400 -0.173 0.000 0.836 2478 E CB -0.439 29.096 29.700 -0.276 0.000 0.763 2478 E HN 0.731 nan 8.360 nan 0.000 0.491 2479 F N -0.529 119.293 119.950 -0.213 0.000 2.146 2479 F HA -0.127 4.401 4.527 0.000 0.000 0.298 2479 F C 2.247 177.939 175.800 -0.181 0.000 1.096 2479 F CA 0.858 58.649 58.000 -0.349 0.000 1.275 2479 F CB -0.719 37.719 39.000 -0.937 0.000 1.008 2479 F HN -0.044 nan 8.300 nan 0.000 0.480 2480 V N -1.184 118.810 119.914 0.134 0.000 2.379 2480 V HA -0.230 3.890 4.120 0.000 0.000 0.245 2480 V C 2.307 178.523 176.094 0.202 0.000 1.044 2480 V CA 1.809 64.224 62.300 0.191 0.000 1.036 2480 V CB -1.007 30.956 31.823 0.232 0.000 0.664 2480 V HN 0.251 nan 8.190 nan 0.000 0.453 2481 S N 0.875 116.670 115.700 0.159 0.000 2.359 2481 S HA -0.295 4.176 4.470 0.000 0.000 0.223 2481 S C 2.042 176.735 174.600 0.155 0.000 1.039 2481 S CA 2.025 60.313 58.200 0.148 0.000 1.042 2481 S CB -0.791 62.412 63.200 0.006 0.000 0.915 2481 S HN 0.883 nan 8.310 nan 0.000 0.439 2482 C N 0.440 119.804 119.300 0.108 0.000 2.491 2482 C HA 0.186 4.646 4.460 0.000 0.000 0.277 2482 C C 1.624 176.796 174.990 0.304 0.000 1.455 2482 C CA -0.021 59.070 59.018 0.122 0.000 1.758 2482 C CB -0.926 26.854 27.740 0.067 0.000 1.745 2482 C HN 0.354 nan 8.230 nan 0.000 0.558 2483 Q N -0.507 119.494 119.800 0.336 0.000 2.140 2483 Q HA 0.249 4.590 4.340 0.000 0.000 0.227 2483 Q C 1.531 177.710 176.000 0.298 0.000 0.798 2483 Q CA -0.107 55.895 55.803 0.330 0.000 0.987 2483 Q CB 0.185 29.032 28.738 0.181 0.000 1.161 2483 Q HN 0.599 nan 8.270 nan 0.000 0.480 2484 L N 2.287 123.773 121.223 0.438 0.000 2.131 2484 L HA -0.166 4.174 4.340 0.000 0.000 0.210 2484 L C 2.426 179.554 176.870 0.430 0.000 1.092 2484 L CA 2.001 57.079 54.840 0.397 0.000 0.759 2484 L CB -0.426 41.905 42.059 0.454 0.000 0.903 2484 L HN 0.328 nan 8.230 nan 0.000 0.435 2485 H N -1.439 117.906 119.070 0.459 0.000 2.387 2485 H HA -0.174 4.382 4.556 0.000 0.000 0.299 2485 H C 1.718 177.226 175.328 0.301 0.000 1.099 2485 H CA 1.547 57.879 56.048 0.473 0.000 1.315 2485 H CB -0.821 29.303 29.762 0.605 0.000 1.380 2485 H HN 0.476 nan 8.280 nan 0.000 0.513 2486 Q N 0.080 119.635 119.800 -0.409 0.000 2.077 2486 Q HA -0.190 4.150 4.340 0.000 0.000 0.206 2486 Q C 2.230 178.255 176.000 0.041 0.000 0.989 2486 Q CA 1.667 57.350 55.803 -0.199 0.000 0.853 2486 Q CB -0.614 28.005 28.738 -0.198 0.000 0.907 2486 Q HN 0.614 nan 8.270 nan 0.000 0.418 2487 W N 1.425 122.679 121.300 -0.078 0.000 2.358 2487 W HA -0.151 4.509 4.660 0.000 0.000 0.303 2487 W C 1.922 178.379 176.519 -0.103 0.000 1.208 2487 W CA 1.245 58.541 57.345 -0.082 0.000 1.274 2487 W CB -0.387 29.030 29.460 -0.072 0.000 1.138 2487 W HN 0.038 nan 8.180 nan 0.000 0.515 2488 I N 0.476 121.083 120.570 0.062 0.000 2.264 2488 I HA -0.341 3.830 4.170 0.000 0.000 0.248 2488 I C 1.982 178.001 176.117 -0.163 0.000 1.111 2488 I CA 1.739 62.971 61.300 -0.114 0.000 1.382 2488 I CB -0.658 37.176 38.000 -0.278 0.000 1.060 2488 I HN -0.077 nan 8.210 nan 0.000 0.418 2489 D N 0.702 121.068 120.400 -0.057 0.000 2.218 2489 D HA -0.126 4.514 4.640 0.000 0.000 0.204 2489 D C 2.293 178.567 176.300 -0.043 0.000 0.976 2489 D CA 1.218 55.251 54.000 0.055 0.000 0.853 2489 D CB 0.012 40.958 40.800 0.242 0.000 0.939 2489 D HN 0.370 nan 8.370 nan 0.000 0.481 2490 L N 0.217 121.303 121.223 -0.230 0.000 2.102 2490 L HA -0.052 4.288 4.340 0.000 0.000 0.202 2490 L C 2.306 178.875 176.870 -0.501 0.000 1.076 2490 L CA 0.447 55.093 54.840 -0.325 0.000 0.761 2490 L CB -0.049 41.777 42.059 -0.389 0.000 0.921 2490 L HN -0.013 nan 8.230 nan 0.000 0.444 2491 I N -1.032 119.013 120.570 -0.874 0.000 2.406 2491 I HA -0.137 4.033 4.170 0.000 0.000 0.249 2491 I C 1.600 177.061 176.117 -1.094 0.000 1.122 2491 I CA 1.846 62.430 61.300 -1.194 0.000 1.431 2491 I CB -0.592 36.230 38.000 -1.963 0.000 1.087 2491 I HN 0.184 nan 8.210 nan 0.000 0.424 2492 F N -0.053 119.642 119.950 -0.425 0.000 2.856 2492 F HA 0.431 4.958 4.527 0.000 0.000 0.338 2492 F C 1.528 177.167 175.800 -0.268 0.000 1.100 2492 F CA -0.354 57.445 58.000 -0.335 0.000 1.150 2492 F CB -0.635 38.112 39.000 -0.422 0.000 1.101 2492 F HN -0.126 nan 8.300 nan 0.000 0.548 2493 G N 0.142 108.908 108.800 -0.056 0.000 2.504 2493 G HA2 0.061 4.021 3.960 0.000 0.000 0.257 2493 G HA3 0.061 4.021 3.960 0.000 0.000 0.257 2493 G C 0.746 175.738 174.900 0.152 0.000 1.451 2493 G CA -0.007 45.110 45.100 0.028 0.000 1.059 2493 G HN 0.474 nan 8.290 nan 0.000 0.550 2494 Y N -1.641 118.634 120.300 -0.042 0.000 2.516 2494 Y HA 0.304 4.854 4.550 0.000 0.000 0.291 2494 Y C 1.899 177.780 175.900 -0.031 0.000 1.131 2494 Y CA 0.341 58.425 58.100 -0.026 0.000 1.281 2494 Y CB 0.090 38.549 38.460 -0.002 0.000 1.013 2494 Y HN 0.175 nan 8.280 nan 0.000 0.554 2495 K N 1.421 121.798 120.400 -0.039 0.000 2.551 2495 K HA -0.014 4.307 4.320 0.000 0.000 0.204 2495 K C 1.536 178.082 176.600 -0.090 0.000 1.033 2495 K CA 0.063 56.217 56.287 -0.222 0.000 1.187 2495 K CB 0.124 32.499 32.500 -0.208 0.000 0.900 2495 K HN 0.487 nan 8.250 nan 0.000 0.499 2496 Q N 1.670 121.450 119.800 -0.034 0.000 2.302 2496 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 2496 Q C 0.029 176.077 176.000 0.081 0.000 0.936 2496 Q CA 0.668 56.476 55.803 0.008 0.000 0.886 2496 Q CB 0.468 29.202 28.738 -0.007 0.000 0.986 2496 Q HN 0.283 nan 8.270 nan 0.000 0.487 2497 R N -2.726 117.769 120.500 -0.008 0.000 2.733 2497 R HA 0.650 4.990 4.340 0.000 0.000 0.272 2497 R C -0.389 175.855 176.300 -0.094 0.000 1.029 2497 R CA -0.414 55.636 56.100 -0.085 0.000 0.888 2497 R CB 0.600 30.807 30.300 -0.155 0.000 1.251 2497 R HN 0.094 nan 8.270 nan 0.000 0.464 2498 G N 0.307 109.041 108.800 -0.110 0.000 2.698 2498 G HA2 -0.179 3.781 3.960 0.000 0.000 0.225 2498 G HA3 -0.179 3.781 3.960 0.000 0.000 0.225 2498 G C -2.055 172.798 174.900 -0.079 0.000 1.345 2498 G CA -0.424 44.628 45.100 -0.080 0.000 0.871 2498 G HN 0.479 nan 8.290 nan 0.000 0.540 2499 P HA -0.085 nan 4.420 nan 0.000 0.216 2499 P C 1.622 178.857 177.300 -0.108 0.000 1.157 2499 P CA 1.941 65.001 63.100 -0.067 0.000 0.880 2499 P CB 0.055 31.725 31.700 -0.050 0.000 0.791 2500 E N -0.536 119.574 120.200 -0.150 0.000 2.118 2500 E HA -0.170 4.180 4.350 0.000 0.000 0.195 2500 E C 1.975 178.445 176.600 -0.217 0.000 0.992 2500 E CA 1.562 57.819 56.400 -0.239 0.000 0.804 2500 E CB -1.094 28.352 29.700 -0.424 0.000 0.741 2500 E HN 0.118 nan 8.360 nan 0.000 0.458 2501 A N -0.418 122.303 122.820 -0.164 0.000 2.066 2501 A HA -0.070 4.251 4.320 0.000 0.000 0.218 2501 A C 2.332 179.840 177.584 -0.127 0.000 1.157 2501 A CA 1.206 53.173 52.037 -0.116 0.000 0.670 2501 A CB -0.300 18.673 19.000 -0.046 0.000 0.804 2501 A HN 0.168 nan 8.150 nan 0.000 0.453 2502 V N 0.344 120.177 119.914 -0.136 0.000 2.270 2502 V HA -0.265 3.855 4.120 0.000 0.000 0.245 2502 V C 2.552 178.535 176.094 -0.185 0.000 1.043 2502 V CA 2.094 64.284 62.300 -0.184 0.000 1.014 2502 V CB -0.964 30.755 31.823 -0.173 0.000 0.645 2502 V HN 0.544 nan 8.190 nan 0.000 0.447 2503 R N 1.072 121.485 120.500 -0.144 0.000 2.083 2503 R HA -0.134 4.206 4.340 0.000 0.000 0.237 2503 R C 2.419 178.635 176.300 -0.140 0.000 1.137 2503 R CA 1.560 57.588 56.100 -0.119 0.000 0.951 2503 R CB -0.888 29.354 30.300 -0.096 0.000 0.851 2503 R HN 0.506 nan 8.270 nan 0.000 0.434 2504 A N 1.604 124.330 122.820 -0.157 0.000 2.139 2504 A HA -0.099 4.221 4.320 0.000 0.000 0.221 2504 A C 1.289 178.752 177.584 -0.202 0.000 1.159 2504 A CA 0.843 52.792 52.037 -0.147 0.000 0.662 2504 A CB -0.225 18.692 19.000 -0.138 0.000 0.796 2504 A HN 0.433 nan 8.150 nan 0.000 0.463 2505 L N -1.539 119.457 121.223 -0.378 0.000 3.730 2505 L HA -0.195 4.145 4.340 0.000 0.000 0.410 2505 L C 0.468 177.001 176.870 -0.562 0.000 1.234 2505 L CA 1.179 55.561 54.840 -0.763 0.000 0.911 2505 L CB -2.269 39.588 42.059 -0.336 0.000 1.942 2505 L HN 0.799 nan 8.230 nan 0.000 0.860 2506 N N -1.168 117.327 118.700 -0.340 0.000 2.235 2506 N HA 0.153 4.893 4.740 0.000 0.000 0.231 2506 N C 0.246 175.920 175.510 0.273 0.000 1.177 2506 N CA -0.169 52.901 53.050 0.033 0.000 0.874 2506 N CB 0.617 39.120 38.487 0.027 0.000 1.097 2506 N HN 0.154 nan 8.380 nan 0.000 0.518 2507 V N 2.276 122.340 119.914 0.250 0.000 2.530 2507 V HA 0.311 4.432 4.120 0.000 0.000 0.282 2507 V C -0.197 176.152 176.094 0.426 0.000 1.048 2507 V CA 0.077 62.643 62.300 0.444 0.000 0.997 2507 V CB 0.296 32.338 31.823 0.365 0.000 0.987 2507 V HN 0.044 nan 8.190 nan 0.000 0.477 2508 F N 1.443 121.677 119.950 0.473 0.000 2.585 2508 F HA 0.483 5.010 4.527 0.000 0.000 0.350 2508 F C 0.674 176.673 175.800 0.331 0.000 1.074 2508 F CA -0.977 57.221 58.000 0.331 0.000 1.032 2508 F CB 0.421 39.488 39.000 0.112 0.000 1.330 2508 F HN 0.435 nan 8.300 nan 0.000 0.495 2509 H N 0.996 120.142 119.070 0.126 0.000 3.038 2509 H HA -0.110 4.446 4.556 0.000 0.000 0.338 2509 H C 0.791 176.348 175.328 0.381 0.000 1.041 2509 H CA 0.396 56.435 56.048 -0.013 0.000 1.394 2509 H CB 0.266 29.846 29.762 -0.303 0.000 1.357 2509 H HN 0.740 nan 8.280 nan 0.000 0.600 2510 Y N 3.410 124.079 120.300 0.614 0.000 2.421 2510 Y HA -0.059 4.491 4.550 0.000 0.000 0.292 2510 Y C 1.635 177.793 175.900 0.430 0.000 1.136 2510 Y CA 0.293 58.693 58.100 0.500 0.000 1.255 2510 Y CB 0.007 38.636 38.460 0.282 0.000 0.991 2510 Y HN 0.391 nan 8.280 nan 0.000 0.552 2511 L N 1.370 122.431 121.223 -0.270 0.000 2.713 2511 L HA 0.099 4.439 4.340 0.000 0.000 0.245 2511 L C 0.658 177.381 176.870 -0.245 0.000 1.169 2511 L CA 0.919 55.437 54.840 -0.538 0.000 0.962 2511 L CB -0.498 41.221 42.059 -0.567 0.000 1.161 2511 L HN 0.332 nan 8.230 nan 0.000 0.427 2512 T N -2.121 112.357 114.554 -0.126 0.000 3.004 2512 T HA 0.224 4.575 4.350 0.000 0.000 0.266 2512 T C -0.283 174.161 174.700 -0.426 0.000 0.986 2512 T CA -0.071 61.850 62.100 -0.299 0.000 0.902 2512 T CB 0.008 68.675 68.868 -0.334 0.000 1.118 2512 T HN -0.054 nan 8.240 nan 0.000 0.522 2513 Y N 2.918 123.169 120.300 -0.082 0.000 2.387 2513 Y HA 0.411 4.961 4.550 0.000 0.000 0.330 2513 Y C 0.621 176.477 175.900 -0.073 0.000 1.133 2513 Y CA -2.088 55.976 58.100 -0.060 0.000 1.152 2513 Y CB 0.606 39.066 38.460 0.001 0.000 1.215 2513 Y HN 0.140 nan 8.280 nan 0.000 0.466 2514 E N 0.436 120.685 120.200 0.081 0.000 2.452 2514 E HA 0.313 4.663 4.350 0.000 0.000 0.261 2514 E C 0.925 177.556 176.600 0.052 0.000 0.987 2514 E CA 0.590 57.008 56.400 0.031 0.000 0.926 2514 E CB 0.281 29.996 29.700 0.025 0.000 0.934 2514 E HN 0.898 nan 8.360 nan 0.000 0.452 2515 G N 2.290 111.104 108.800 0.023 0.000 2.199 2515 G HA2 -0.418 3.543 3.960 0.000 0.000 0.254 2515 G HA3 -0.418 3.543 3.960 0.000 0.000 0.254 2515 G C 1.039 175.955 174.900 0.027 0.000 0.982 2515 G CA 0.500 45.617 45.100 0.029 0.000 0.632 2515 G HN 0.613 nan 8.290 nan 0.000 0.529 2516 S N -1.248 114.458 115.700 0.010 0.000 2.370 2516 S HA 0.236 4.706 4.470 0.000 0.000 0.226 2516 S C 1.067 175.627 174.600 -0.066 0.000 1.033 2516 S CA 2.111 60.288 58.200 -0.039 0.000 1.011 2516 S CB -0.036 63.091 63.200 -0.121 0.000 0.852 2516 S HN 1.692 nan 8.310 nan 0.000 0.457 2517 V N 0.714 120.590 119.914 -0.063 0.000 3.048 2517 V HA 0.510 4.630 4.120 0.000 0.000 0.303 2517 V C -1.564 174.511 176.094 -0.031 0.000 1.214 2517 V CA -1.027 61.244 62.300 -0.048 0.000 0.984 2517 V CB 2.016 33.786 31.823 -0.087 0.000 1.054 2517 V HN 0.424 nan 8.190 nan 0.000 0.430 2518 N N 4.760 123.453 118.700 -0.011 0.000 2.621 2518 N HA 0.395 5.135 4.740 0.000 0.000 0.237 2518 N C 0.892 176.398 175.510 -0.006 0.000 0.997 2518 N CA -0.546 52.502 53.050 -0.003 0.000 0.918 2518 N CB 1.034 39.528 38.487 0.013 0.000 1.122 2518 N HN 0.739 nan 8.380 nan 0.000 0.510 2519 L N 1.541 122.753 121.223 -0.018 0.000 2.261 2519 L HA -0.159 4.181 4.340 0.000 0.000 0.216 2519 L C 1.170 178.041 176.870 0.002 0.000 1.114 2519 L CA 0.897 55.726 54.840 -0.019 0.000 0.777 2519 L CB -0.202 41.837 42.059 -0.033 0.000 0.910 2519 L HN 0.605 nan 8.230 nan 0.000 0.440 2520 D N -0.642 119.765 120.400 0.012 0.000 2.149 2520 D HA -0.138 4.502 4.640 0.000 0.000 0.201 2520 D C 2.401 178.713 176.300 0.020 0.000 0.972 2520 D CA 1.387 55.399 54.000 0.021 0.000 0.835 2520 D CB 0.078 40.895 40.800 0.027 0.000 0.966 2520 D HN 0.277 nan 8.370 nan 0.000 0.476 2521 S N 0.150 115.861 115.700 0.018 0.000 2.399 2521 S HA -0.110 4.360 4.470 0.000 0.000 0.231 2521 S C 1.106 175.717 174.600 0.019 0.000 1.022 2521 S CA 0.261 58.474 58.200 0.020 0.000 0.983 2521 S CB -0.372 62.841 63.200 0.022 0.000 0.803 2521 S HN 0.106 nan 8.310 nan 0.000 0.480 2522 I N 3.854 124.433 120.570 0.015 0.000 2.755 2522 I HA 0.019 4.189 4.170 0.000 0.000 0.303 2522 I C 1.276 177.402 176.117 0.015 0.000 1.168 2522 I CA 0.361 61.669 61.300 0.013 0.000 1.588 2522 I CB -1.605 36.398 38.000 0.005 0.000 1.509 2522 I HN 0.300 nan 8.210 nan 0.000 0.734 2523 T N 2.647 117.212 114.554 0.018 0.000 2.777 2523 T HA -0.147 4.203 4.350 0.000 0.000 0.266 2523 T C 0.876 175.586 174.700 0.017 0.000 1.040 2523 T CA 0.868 62.979 62.100 0.018 0.000 1.141 2523 T CB -0.181 68.698 68.868 0.019 0.000 0.868 2523 T HN 0.551 nan 8.240 nan 0.000 0.444 2524 D N 2.030 122.439 120.400 0.016 0.000 2.363 2524 D HA 0.063 4.703 4.640 0.000 0.000 0.263 2524 D C -1.753 174.555 176.300 0.014 0.000 1.258 2524 D CA -2.137 51.872 54.000 0.015 0.000 0.907 2524 D CB 1.267 42.076 40.800 0.015 0.000 1.107 2524 D HN 0.024 nan 8.370 nan 0.000 0.495 2525 P HA -0.215 nan 4.420 nan 0.000 0.216 2525 P C 1.555 178.862 177.300 0.012 0.000 1.157 2525 P CA 0.602 63.711 63.100 0.015 0.000 0.880 2525 P CB 0.228 31.939 31.700 0.018 0.000 0.791 2526 V N -0.884 119.037 119.914 0.011 0.000 2.515 2526 V HA -0.174 3.946 4.120 0.000 0.000 0.250 2526 V C 2.040 178.136 176.094 0.004 0.000 1.058 2526 V CA 1.548 63.853 62.300 0.008 0.000 1.064 2526 V CB -0.994 30.835 31.823 0.010 0.000 0.675 2526 V HN 0.017 nan 8.190 nan 0.000 0.461 2527 L N -0.471 120.755 121.223 0.006 0.000 2.217 2527 L HA -0.074 4.266 4.340 0.000 0.000 0.211 2527 L C 2.677 179.543 176.870 -0.006 0.000 1.107 2527 L CA 1.584 56.426 54.840 0.003 0.000 0.783 2527 L CB -0.487 41.579 42.059 0.010 0.000 0.919 2527 L HN 0.294 nan 8.230 nan 0.000 0.442 2528 R N 0.195 120.693 120.500 -0.004 0.000 2.055 2528 R HA -0.177 4.163 4.340 0.000 0.000 0.228 2528 R C 2.366 178.652 176.300 -0.024 0.000 1.143 2528 R CA 1.360 57.453 56.100 -0.013 0.000 0.945 2528 R CB -0.161 30.138 30.300 -0.002 0.000 0.841 2528 R HN 0.186 nan 8.270 nan 0.000 0.429 2529 E N 0.926 121.118 120.200 -0.013 0.000 2.130 2529 E HA -0.154 4.196 4.350 0.000 0.000 0.196 2529 E C 0.334 176.914 176.600 -0.034 0.000 0.998 2529 E CA 1.098 57.488 56.400 -0.016 0.000 0.806 2529 E CB -0.148 29.552 29.700 -0.000 0.000 0.738 2529 E HN 0.392 nan 8.360 nan 0.000 0.459 2533 A N 1.660 124.395 122.820 -0.143 0.000 1.978 2533 A HA -0.253 4.067 4.320 0.000 0.000 0.220 2533 A C 2.074 179.505 177.584 -0.255 0.000 1.170 2533 A CA 2.036 53.984 52.037 -0.149 0.000 0.636 2533 A CB -0.491 18.449 19.000 -0.101 0.000 0.810 2533 A HN 0.242 nan 8.150 nan 0.000 0.448 2534 Q N -0.530 119.077 119.800 -0.323 0.000 2.084 2534 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 2534 Q C 1.968 177.547 176.000 -0.701 0.000 0.978 2534 Q CA 1.645 57.089 55.803 -0.597 0.000 0.844 2534 Q CB -0.233 28.219 28.738 -0.477 0.000 0.898 2534 Q HN 0.751 nan 8.270 nan 0.000 0.426 2535 I N 0.426 120.742 120.570 -0.424 0.000 2.226 2535 I HA -0.306 3.864 4.170 0.000 0.000 0.245 2535 I C 2.157 178.103 176.117 -0.284 0.000 1.100 2535 I CA 1.261 62.357 61.300 -0.340 0.000 1.374 2535 I CB -0.217 37.617 38.000 -0.275 0.000 1.057 2535 I HN 0.301 nan 8.210 nan 0.000 0.413 2536 Q N 0.138 119.793 119.800 -0.243 0.000 2.436 2536 Q HA -0.107 4.233 4.340 0.000 0.000 0.209 2536 Q C 1.706 177.631 176.000 -0.126 0.000 0.965 2536 Q CA 0.714 56.420 55.803 -0.161 0.000 0.910 2536 Q CB -0.004 28.672 28.738 -0.104 0.000 0.980 2536 Q HN 0.524 nan 8.270 nan 0.000 0.491 2537 N N -0.402 118.181 118.700 -0.196 0.000 2.387 2537 N HA 0.036 4.776 4.740 0.000 0.000 0.176 2537 N C 1.096 176.684 175.510 0.130 0.000 1.022 2537 N CA 0.673 53.673 53.050 -0.084 0.000 0.883 2537 N CB 0.179 38.557 38.487 -0.181 0.000 1.019 2537 N HN 0.249 nan 8.380 nan 0.000 0.435 2538 F N 1.127 121.014 119.950 -0.105 0.000 2.780 2538 F HA 0.179 4.706 4.527 0.000 0.000 0.299 2538 F C 1.531 177.222 175.800 -0.182 0.000 1.146 2538 F CA -0.188 57.746 58.000 -0.110 0.000 1.428 2538 F CB 0.233 39.104 39.000 -0.214 0.000 1.115 2538 F HN -0.018 nan 8.300 nan 0.000 0.583 2539 G N 1.368 110.108 108.800 -0.100 0.000 2.795 2539 G HA2 -0.208 3.752 3.960 0.000 0.000 0.664 2539 G HA3 -0.208 3.752 3.960 0.000 0.000 0.664 2539 G C -1.093 173.452 174.900 -0.592 0.000 1.381 2539 G CA -0.925 43.939 45.100 -0.394 0.000 0.853 2539 G HN 0.285 nan 8.290 nan 0.000 0.545 2540 Q N -0.183 119.173 119.800 -0.740 0.000 2.310 2540 Q HA 0.563 4.904 4.340 0.000 0.000 0.270 2540 Q C -0.468 175.106 176.000 -0.711 0.000 1.025 2540 Q CA -0.727 54.719 55.803 -0.596 0.000 0.772 2540 Q CB 2.080 30.611 28.738 -0.346 0.000 1.253 2540 Q HN 0.583 nan 8.270 nan 0.000 0.450 2541 T N 4.232 118.405 114.554 -0.635 0.000 2.814 2541 T HA 0.210 4.560 4.350 0.000 0.000 0.297 2541 T C -2.183 172.345 174.700 -0.286 0.000 0.956 2541 T CA -1.035 60.780 62.100 -0.476 0.000 1.123 2541 T CB 0.267 68.758 68.868 -0.628 0.000 0.902 2541 T HN 0.267 nan 8.240 nan 0.000 0.528 2542 P HA 0.040 nan 4.420 nan 0.000 0.267 2542 P C -0.189 177.053 177.300 -0.096 0.000 1.195 2542 P CA -0.014 63.000 63.100 -0.143 0.000 0.773 2542 P CB 0.370 31.933 31.700 -0.228 0.000 0.837 2543 S N 0.765 116.453 115.700 -0.021 0.000 2.579 2543 S HA 0.025 4.495 4.470 0.000 0.000 0.275 2543 S C 0.174 174.788 174.600 0.023 0.000 1.345 2543 S CA -0.395 57.805 58.200 0.000 0.000 1.031 2543 S CB 0.060 63.263 63.200 0.005 0.000 0.892 2543 S HN 0.441 nan 8.310 nan 0.000 0.529 2544 Q N 1.437 121.246 119.800 0.014 0.000 2.288 2544 Q HA 0.263 4.603 4.340 0.000 0.000 0.258 2544 Q C 0.297 176.278 176.000 -0.032 0.000 0.957 2544 Q CA -0.215 55.590 55.803 0.003 0.000 0.919 2544 Q CB 0.358 29.105 28.738 0.014 0.000 1.185 2544 Q HN 0.700 nan 8.270 nan 0.000 0.408 2545 L N 4.353 125.515 121.223 -0.102 0.000 2.253 2545 L HA 0.185 4.525 4.340 0.000 0.000 0.205 2545 L C 0.423 177.108 176.870 -0.308 0.000 1.078 2545 L CA 0.327 55.017 54.840 -0.249 0.000 0.805 2545 L CB -0.078 41.670 42.059 -0.517 0.000 0.963 2545 L HN 0.597 nan 8.230 nan 0.000 0.459 2546 L N -2.479 118.568 121.223 -0.293 0.000 2.415 2546 L HA 0.491 4.831 4.340 0.000 0.000 0.256 2546 L C 0.157 176.997 176.870 -0.051 0.000 1.010 2546 L CA -0.783 53.948 54.840 -0.182 0.000 0.826 2546 L CB 1.977 43.862 42.059 -0.289 0.000 1.405 2546 L HN -0.004 nan 8.230 nan 0.000 0.410 2547 I N -3.191 117.386 120.570 0.011 0.000 4.082 2547 I HA 0.387 4.557 4.170 0.000 0.000 0.337 2547 I C 0.038 176.208 176.117 0.089 0.000 1.352 2547 I CA -0.135 61.212 61.300 0.078 0.000 1.097 2547 I CB 0.402 38.446 38.000 0.074 0.000 1.048 2547 I HN 0.547 nan 8.210 nan 0.000 0.393 2548 E N 2.273 122.459 120.200 -0.023 0.000 2.254 2548 E HA 0.511 4.861 4.350 0.000 0.000 0.258 2548 E C -2.536 173.805 176.600 -0.432 0.000 1.033 2548 E CA -2.260 54.061 56.400 -0.132 0.000 0.893 2548 E CB 0.153 29.826 29.700 -0.045 0.000 1.204 2548 E HN -0.040 nan 8.360 nan 0.000 0.425 2549 P HA 0.090 nan 4.420 nan 0.000 0.275 2549 P C -0.631 176.581 177.300 -0.146 0.000 1.227 2549 P CA 0.125 62.854 63.100 -0.618 0.000 0.781 2549 P CB 0.270 31.742 31.700 -0.380 0.000 0.906 2550 H N 4.801 123.811 119.070 -0.099 0.000 2.767 2550 H HA 0.214 4.771 4.556 0.000 0.000 0.316 2550 H C -1.923 173.521 175.328 0.194 0.000 1.059 2550 H CA -1.639 54.468 56.048 0.097 0.000 1.461 2550 H CB 0.119 29.974 29.762 0.154 0.000 1.475 2550 H HN 0.296 nan 8.280 nan 0.000 0.531 2551 P HA 0.081 nan 4.420 nan 0.000 0.269 2551 P C -2.748 174.469 177.300 -0.138 0.000 1.215 2551 P CA -1.330 61.679 63.100 -0.152 0.000 0.780 2551 P CB 0.581 32.181 31.700 -0.166 0.000 0.898 2552 P HA 0.182 nan 4.420 nan 0.000 0.276 2552 P C -1.202 175.926 177.300 -0.288 0.000 1.252 2552 P CA -0.992 61.765 63.100 -0.570 0.000 0.802 2552 P CB 1.475 32.763 31.700 -0.687 0.000 1.035 2553 R N 0.000 120.258 120.500 -0.403 0.000 2.786 2553 R HA 0.000 4.340 4.340 0.000 0.000 0.208 2553 R CA 0.000 55.543 56.100 -0.928 0.000 0.921 2553 R CB 0.000 29.576 30.300 -1.206 0.000 0.687 2553 R HN 0.000 nan 8.270 nan 0.000 0.535