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 2px6_1_B DATA FIRST_RESID 2221 DATA SEQUENCE SLLVNPEGPT LMRLNSVQSS ERPLFLVHPI EGSTTVFHSL ASRLSIPTYG DATA SEQUENCE LQCTRAAPLD SIHSLAAYYI DCIRQVQPEG PYRVAGYSYG ACVAFEMCSQ DATA SEQUENCE LQAQQSPAPT HNSLFLFDGS PTYXXXXXXX XXXXXXXXXE AEAETEAICF DATA SEQUENCE FVQQFTDMEH NRVLEALLPL KGLEERVAAA VDLIIKSHQG LDRQELSFAA DATA SEQUENCE RSFYYKLRAA EQYTPKAKYH GNVMLLRAKT GGXXXXXXXX DYNLSQVCDG DATA SEQUENCE KVSVHVIEGD HRTLLEGSGL ESIISIIHSS LAEPRVS 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 2221 S HA 0.000 nan 4.470 nan 0.000 0.327 2221 S C 0.000 174.600 174.600 0.000 0.000 1.055 2221 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 2221 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 2222 L N 2.288 123.509 121.223 -0.003 0.000 2.611 2222 L HA 0.470 4.681 4.340 -0.214 0.000 0.229 2222 L C -0.364 176.633 176.870 0.212 0.000 1.137 2222 L CA 0.466 55.340 54.840 0.057 0.000 0.901 2222 L CB 0.093 42.088 42.059 -0.106 0.000 1.098 2222 L HN 0.209 nan 8.230 nan 0.000 0.456 2223 L N -0.053 121.279 121.223 0.181 0.000 2.354 2223 L HA 0.650 4.861 4.340 -0.214 0.000 0.264 2223 L C -0.484 176.485 176.870 0.166 0.000 1.008 2223 L CA -0.943 54.023 54.840 0.210 0.000 0.819 2223 L CB 2.483 44.665 42.059 0.205 0.000 1.339 2223 L HN -0.247 nan 8.230 nan 0.000 0.420 2224 V N -0.879 119.156 119.914 0.202 0.000 3.001 2224 V HA 0.472 4.464 4.120 -0.214 0.000 0.314 2224 V C -0.503 175.676 176.094 0.141 0.000 1.099 2224 V CA -0.875 61.526 62.300 0.167 0.000 0.989 2224 V CB 1.916 33.854 31.823 0.192 0.000 1.040 2224 V HN 0.844 nan 8.190 nan 0.000 0.434 2225 N N 3.195 121.940 118.700 0.076 0.000 2.438 2225 N HA 0.286 4.897 4.740 -0.214 0.000 0.267 2225 N C -1.815 173.658 175.510 -0.061 0.000 1.222 2225 N CA -1.135 51.927 53.050 0.020 0.000 0.930 2225 N CB 1.298 39.793 38.487 0.014 0.000 1.083 2225 N HN 0.580 nan 8.380 nan 0.000 0.476 2226 P HA -0.065 nan 4.420 nan 0.000 0.225 2226 P C -0.236 176.836 177.300 -0.379 0.000 1.148 2226 P CA 1.126 63.892 63.100 -0.556 0.000 0.779 2226 P CB 0.318 31.655 31.700 -0.606 0.000 0.780 2227 E N -0.986 119.106 120.200 -0.180 0.000 2.499 2227 E HA 0.242 4.463 4.350 -0.214 0.000 0.199 2227 E C 1.108 177.682 176.600 -0.042 0.000 1.016 2227 E CA -0.274 56.064 56.400 -0.103 0.000 0.933 2227 E CB -0.251 29.406 29.700 -0.071 0.000 1.050 2227 E HN 0.099 nan 8.360 nan 0.000 0.462 2228 G N 1.997 110.781 108.800 -0.028 0.000 2.651 2228 G HA2 0.243 4.074 3.960 -0.214 0.000 0.260 2228 G HA3 0.243 4.074 3.960 -0.214 0.000 0.260 2228 G C -2.192 172.736 174.900 0.046 0.000 1.216 2228 G CA -1.046 44.065 45.100 0.018 0.000 0.913 2228 G HN -0.030 nan 8.290 nan 0.000 0.535 2229 P HA 0.157 nan 4.420 nan 0.000 0.271 2229 P C 0.756 178.126 177.300 0.117 0.000 1.216 2229 P CA -0.130 63.024 63.100 0.089 0.000 0.776 2229 P CB 1.151 32.902 31.700 0.086 0.000 0.881 2230 T N 1.677 116.322 114.554 0.151 0.000 2.701 2230 T HA -0.090 4.131 4.350 -0.214 0.000 0.263 2230 T C 0.822 175.584 174.700 0.104 0.000 1.040 2230 T CA 1.092 63.298 62.100 0.177 0.000 1.147 2230 T CB -0.339 68.687 68.868 0.263 0.000 0.865 2230 T HN 0.230 nan 8.240 nan 0.000 0.426 2231 L N 1.775 123.055 121.223 0.095 0.000 2.272 2231 L HA 0.526 4.737 4.340 -0.214 0.000 0.289 2231 L C -0.946 176.047 176.870 0.206 0.000 1.032 2231 L CA -0.103 54.817 54.840 0.133 0.000 0.810 2231 L CB 0.622 42.734 42.059 0.088 0.000 1.205 2231 L HN 0.131 nan 8.230 nan 0.000 0.422 2232 M N 5.019 124.761 119.600 0.237 0.000 2.259 2232 M HA 0.521 4.873 4.480 -0.214 0.000 0.304 2232 M C -0.312 176.047 176.300 0.099 0.000 1.019 2232 M CA -0.595 54.805 55.300 0.166 0.000 0.922 2232 M CB 2.057 34.727 32.600 0.116 0.000 1.600 2232 M HN 0.381 nan 8.290 nan 0.000 0.433 2233 R N 2.384 122.839 120.500 -0.075 0.000 2.489 2233 R HA 0.227 4.438 4.340 -0.214 0.000 0.287 2233 R C 0.236 176.425 176.300 -0.185 0.000 1.053 2233 R CA 0.217 56.074 56.100 -0.405 0.000 1.036 2233 R CB 0.646 30.695 30.300 -0.418 0.000 0.966 2233 R HN 0.797 nan 8.270 nan 0.000 0.432 2234 L N 2.264 123.370 121.223 -0.194 0.000 2.731 2234 L HA 0.109 4.320 4.340 -0.214 0.000 0.240 2234 L C 0.163 177.011 176.870 -0.038 0.000 1.120 2234 L CA -0.092 54.722 54.840 -0.044 0.000 0.913 2234 L CB -0.045 42.025 42.059 0.019 0.000 1.213 2234 L HN 0.647 nan 8.230 nan 0.000 0.515 2235 N N -2.631 115.998 118.700 -0.118 0.000 2.774 2235 N HA 0.189 4.801 4.740 -0.214 0.000 0.264 2235 N C -0.359 175.085 175.510 -0.111 0.000 1.415 2235 N CA -0.670 52.326 53.050 -0.090 0.000 0.815 2235 N CB 1.506 39.938 38.487 -0.092 0.000 1.514 2235 N HN -0.300 nan 8.380 nan 0.000 0.523 2236 S N -0.740 114.915 115.700 -0.075 0.000 2.629 2236 S HA 0.211 4.552 4.470 -0.214 0.000 0.236 2236 S C -0.243 174.325 174.600 -0.053 0.000 1.010 2236 S CA -0.448 57.714 58.200 -0.063 0.000 0.981 2236 S CB -0.013 63.164 63.200 -0.038 0.000 0.919 2236 S HN 0.445 nan 8.310 nan 0.000 0.514 2237 V N 3.346 123.224 119.914 -0.060 0.000 2.506 2237 V HA -0.039 3.953 4.120 -0.214 0.000 0.296 2237 V C 0.576 176.649 176.094 -0.036 0.000 1.004 2237 V CA 0.463 62.736 62.300 -0.046 0.000 1.150 2237 V CB -0.044 31.749 31.823 -0.051 0.000 0.911 2237 V HN 0.459 nan 8.190 nan 0.000 0.476 2238 Q N 4.226 124.013 119.800 -0.022 0.000 2.337 2238 Q HA 0.488 4.700 4.340 -0.214 0.000 0.255 2238 Q C -0.276 175.721 176.000 -0.006 0.000 0.997 2238 Q CA 0.046 55.843 55.803 -0.010 0.000 0.925 2238 Q CB 0.891 29.625 28.738 -0.006 0.000 1.212 2238 Q HN 0.845 nan 8.270 nan 0.000 0.436 2239 S N 1.575 117.275 115.700 0.001 0.000 2.552 2239 S HA 0.251 4.593 4.470 -0.214 0.000 0.272 2239 S C -0.010 174.597 174.600 0.013 0.000 1.150 2239 S CA -0.095 58.108 58.200 0.004 0.000 0.849 2239 S CB 1.360 64.559 63.200 -0.002 0.000 1.113 2239 S HN 0.698 nan 8.310 nan 0.000 0.458 2240 S N 1.362 117.070 115.700 0.012 0.000 2.548 2240 S HA 0.258 4.599 4.470 -0.214 0.000 0.215 2240 S C 0.236 174.844 174.600 0.014 0.000 0.976 2240 S CA -0.191 58.018 58.200 0.015 0.000 0.908 2240 S CB -0.185 63.022 63.200 0.012 0.000 0.781 2240 S HN 0.672 nan 8.310 nan 0.000 0.519 2241 E N 2.469 122.677 120.200 0.013 0.000 2.414 2241 E HA 0.117 4.339 4.350 -0.214 0.000 0.263 2241 E C -0.072 176.535 176.600 0.011 0.000 1.000 2241 E CA 0.095 56.502 56.400 0.012 0.000 0.914 2241 E CB 0.500 30.208 29.700 0.012 0.000 0.948 2241 E HN 0.442 nan 8.360 nan 0.000 0.444 2242 R N 3.474 123.980 120.500 0.011 0.000 2.538 2242 R HA 0.042 4.254 4.340 -0.214 0.000 0.282 2242 R C -2.001 174.290 176.300 -0.014 0.000 1.009 2242 R CA -1.072 55.036 56.100 0.013 0.000 1.063 2242 R CB -0.327 29.983 30.300 0.017 0.000 0.945 2242 R HN 0.222 nan 8.270 nan 0.000 0.414 2243 P HA -0.019 nan 4.420 nan 0.000 0.272 2243 P C -0.880 176.226 177.300 -0.324 0.000 1.230 2243 P CA -0.419 62.538 63.100 -0.238 0.000 0.788 2243 P CB 0.501 31.944 31.700 -0.430 0.000 0.949 2244 L N 3.104 124.169 121.223 -0.263 0.000 2.275 2244 L HA 0.456 4.668 4.340 -0.214 0.000 0.288 2244 L C -1.217 175.493 176.870 -0.268 0.000 1.046 2244 L CA -0.186 54.562 54.840 -0.153 0.000 0.805 2244 L CB -0.491 41.535 42.059 -0.056 0.000 1.193 2244 L HN 0.134 nan 8.230 nan 0.000 0.426 2245 F N 5.938 125.940 119.950 0.088 0.000 2.404 2245 F HA 0.508 4.861 4.527 -0.290 0.000 0.354 2245 F C -0.233 175.536 175.800 -0.051 0.000 1.122 2245 F CA -0.505 57.518 58.000 0.039 0.000 1.080 2245 F CB 1.007 40.015 39.000 0.013 0.000 1.131 2245 F HN 0.226 nan 8.300 nan 0.000 0.471 2246 L N 4.652 125.874 121.223 -0.002 0.000 2.313 2246 L HA 0.618 4.829 4.340 -0.214 0.000 0.283 2246 L C -0.783 175.984 176.870 -0.172 0.000 1.013 2246 L CA -1.078 53.578 54.840 -0.307 0.000 0.816 2246 L CB 1.640 43.139 42.059 -0.933 0.000 1.236 2246 L HN 0.272 nan 8.230 nan 0.000 0.419 2247 V N 1.430 121.335 119.914 -0.016 0.000 2.394 2247 V HA 0.198 4.189 4.120 -0.214 0.000 0.282 2247 V C 0.004 176.353 176.094 0.426 0.000 1.031 2247 V CA -0.928 61.439 62.300 0.111 0.000 0.881 2247 V CB 0.729 32.575 31.823 0.040 0.000 0.982 2247 V HN 0.830 nan 8.190 nan 0.000 0.451 2248 H N 5.633 125.052 119.070 0.582 0.000 3.058 2248 H HA 0.194 4.621 4.556 -0.216 0.000 0.347 2248 H C -2.413 173.203 175.328 0.479 0.000 1.087 2248 H CA -1.062 55.314 56.048 0.547 0.000 1.375 2248 H CB -0.383 29.606 29.762 0.378 0.000 1.312 2248 H HN 0.448 nan 8.280 nan 0.000 0.607 2249 P HA -0.009 nan 4.420 nan 0.000 0.286 2249 P C 1.179 178.737 177.300 0.431 0.000 1.293 2249 P CA -0.501 62.841 63.100 0.402 0.000 0.770 2249 P CB 1.132 32.990 31.700 0.264 0.000 1.206 2250 I N 0.228 120.926 120.570 0.213 0.000 2.248 2250 I HA -0.272 3.769 4.170 -0.214 0.000 0.248 2250 I C 2.261 178.416 176.117 0.064 0.000 1.107 2250 I CA 1.638 62.859 61.300 -0.132 0.000 1.373 2250 I CB -0.323 37.596 38.000 -0.135 0.000 1.055 2250 I HN 0.413 nan 8.210 nan 0.000 0.418 2251 E N 0.489 120.792 120.200 0.172 0.000 2.265 2251 E HA -0.153 4.069 4.350 -0.214 0.000 0.196 2251 E C 1.715 178.381 176.600 0.111 0.000 0.996 2251 E CA 1.147 57.649 56.400 0.169 0.000 0.832 2251 E CB -0.292 29.499 29.700 0.152 0.000 0.756 2251 E HN 0.606 nan 8.360 nan 0.000 0.491 2252 G N 1.119 109.961 108.800 0.068 0.000 2.234 2252 G HA2 -0.325 3.506 3.960 -0.214 0.000 0.235 2252 G HA3 -0.325 3.506 3.960 -0.214 0.000 0.235 2252 G C 0.515 175.405 174.900 -0.015 0.000 0.997 2252 G CA 0.475 45.460 45.100 -0.192 0.000 0.623 2252 G HN 0.718 nan 8.290 nan 0.000 0.514 2253 S N -0.190 115.579 115.700 0.115 0.000 2.669 2253 S HA 0.625 4.967 4.470 -0.214 0.000 0.270 2253 S C 1.144 175.854 174.600 0.183 0.000 1.225 2253 S CA 0.888 59.171 58.200 0.138 0.000 0.991 2253 S CB 1.633 64.891 63.200 0.098 0.000 0.987 2253 S HN 1.201 nan 8.310 nan 0.000 0.552 2254 T N -2.830 111.838 114.554 0.189 0.000 3.092 2254 T HA 0.170 4.392 4.350 -0.214 0.000 0.258 2254 T C 1.280 176.047 174.700 0.112 0.000 1.031 2254 T CA 0.065 62.328 62.100 0.271 0.000 0.925 2254 T CB -0.685 68.433 68.868 0.416 0.000 1.036 2254 T HN 0.589 nan 8.240 nan 0.000 0.544 2255 T N 2.969 117.534 114.554 0.019 0.000 2.759 2255 T HA -0.148 4.074 4.350 -0.214 0.000 0.269 2255 T C 2.275 176.934 174.700 -0.068 0.000 1.042 2255 T CA 1.759 63.851 62.100 -0.013 0.000 1.140 2255 T CB -0.675 68.176 68.868 -0.029 0.000 0.864 2255 T HN 0.570 nan 8.240 nan 0.000 0.455 2256 V N -0.635 119.137 119.914 -0.237 0.000 2.568 2256 V HA -0.123 3.868 4.120 -0.214 0.000 0.253 2256 V C 1.888 177.776 176.094 -0.344 0.000 1.072 2256 V CA 1.551 63.618 62.300 -0.388 0.000 1.084 2256 V CB -1.408 30.038 31.823 -0.628 0.000 0.676 2256 V HN 0.526 nan 8.190 nan 0.000 0.469 2257 F N -0.132 119.807 119.950 -0.018 0.000 2.789 2257 F HA 0.184 4.596 4.527 -0.192 0.000 0.300 2257 F C 2.272 178.070 175.800 -0.002 0.000 1.132 2257 F CA 0.658 58.641 58.000 -0.028 0.000 1.404 2257 F CB -0.463 38.564 39.000 0.045 0.000 1.114 2257 F HN 0.252 nan 8.300 nan 0.000 0.584 2258 H N 0.516 119.623 119.070 0.061 0.000 2.319 2258 H HA -0.166 4.258 4.556 -0.219 0.000 0.297 2258 H C 2.201 177.522 175.328 -0.011 0.000 1.097 2258 H CA 2.076 58.136 56.048 0.021 0.000 1.285 2258 H CB -0.247 29.510 29.762 -0.007 0.000 1.368 2258 H HN 0.006 nan 8.280 nan 0.000 0.495 2259 S N 0.009 115.604 115.700 -0.175 0.000 2.356 2259 S HA -0.128 4.213 4.470 -0.214 0.000 0.223 2259 S C 2.189 176.682 174.600 -0.178 0.000 1.032 2259 S CA 1.098 59.161 58.200 -0.229 0.000 1.005 2259 S CB -0.532 62.576 63.200 -0.154 0.000 0.867 2259 S HN 0.391 nan 8.310 nan 0.000 0.449 2260 L N 2.094 123.247 121.223 -0.117 0.000 2.012 2260 L HA -0.075 4.136 4.340 -0.214 0.000 0.210 2260 L C 2.348 179.162 176.870 -0.093 0.000 1.073 2260 L CA 2.062 56.837 54.840 -0.109 0.000 0.748 2260 L CB -1.046 40.958 42.059 -0.091 0.000 0.891 2260 L HN 0.250 nan 8.230 nan 0.000 0.431 2261 A N -0.962 121.823 122.820 -0.058 0.000 1.933 2261 A HA -0.214 3.978 4.320 -0.214 0.000 0.218 2261 A C 2.477 179.998 177.584 -0.104 0.000 1.175 2261 A CA 2.029 54.028 52.037 -0.063 0.000 0.628 2261 A CB -1.105 17.893 19.000 -0.002 0.000 0.814 2261 A HN 0.692 nan 8.150 nan 0.000 0.444 2262 S N -0.532 115.067 115.700 -0.167 0.000 2.428 2262 S HA -0.082 4.259 4.470 -0.214 0.000 0.230 2262 S C 1.835 176.355 174.600 -0.132 0.000 1.014 2262 S CA 0.756 58.852 58.200 -0.173 0.000 0.957 2262 S CB -0.298 62.737 63.200 -0.275 0.000 0.784 2262 S HN 0.577 nan 8.310 nan 0.000 0.499 2263 R N 0.608 121.031 120.500 -0.129 0.000 2.161 2263 R HA 0.336 4.548 4.340 -0.214 0.000 0.213 2263 R C 0.548 176.791 176.300 -0.095 0.000 1.055 2263 R CA 0.026 56.060 56.100 -0.109 0.000 0.996 2263 R CB -0.751 29.481 30.300 -0.113 0.000 0.901 2263 R HN 0.418 nan 8.270 nan 0.000 0.456 2264 L N 1.838 123.006 121.223 -0.092 0.000 2.426 2264 L HA 0.002 4.214 4.340 -0.214 0.000 0.271 2264 L C 1.360 178.190 176.870 -0.067 0.000 1.169 2264 L CA 0.065 54.858 54.840 -0.078 0.000 0.836 2264 L CB 1.079 43.090 42.059 -0.079 0.000 1.112 2264 L HN 0.103 nan 8.230 nan 0.000 0.465 2265 S N 2.462 118.131 115.700 -0.052 0.000 2.557 2265 S HA 0.285 4.627 4.470 -0.214 0.000 0.223 2265 S C 0.084 174.668 174.600 -0.026 0.000 0.969 2265 S CA -0.604 57.572 58.200 -0.041 0.000 0.927 2265 S CB -0.499 62.677 63.200 -0.040 0.000 0.806 2265 S HN 0.480 nan 8.310 nan 0.000 0.489 2266 I N -2.710 117.841 120.570 -0.032 0.000 2.957 2266 I HA 0.712 4.753 4.170 -0.214 0.000 0.310 2266 I C -3.220 172.863 176.117 -0.057 0.000 1.063 2266 I CA -3.357 57.925 61.300 -0.030 0.000 1.033 2266 I CB 1.274 39.264 38.000 -0.018 0.000 1.230 2266 I HN -0.290 nan 8.210 nan 0.000 0.447 2267 P HA 0.137 nan 4.420 nan 0.000 0.268 2267 P C -0.650 176.576 177.300 -0.123 0.000 1.204 2267 P CA 0.141 63.190 63.100 -0.085 0.000 0.768 2267 P CB 0.619 32.311 31.700 -0.013 0.000 0.842 2268 T N 1.581 116.012 114.554 -0.205 0.000 2.912 2268 T HA 0.625 4.847 4.350 -0.214 0.000 0.299 2268 T C -1.519 172.999 174.700 -0.304 0.000 1.052 2268 T CA -0.561 61.425 62.100 -0.190 0.000 0.996 2268 T CB 0.655 69.443 68.868 -0.133 0.000 1.070 2268 T HN 0.098 nan 8.240 nan 0.000 0.465 2269 Y N 0.788 120.980 120.300 -0.179 0.000 2.524 2269 Y HA 0.724 5.129 4.550 -0.242 0.000 0.344 2269 Y C 0.811 176.710 175.900 -0.001 0.000 1.012 2269 Y CA -0.532 57.541 58.100 -0.045 0.000 1.068 2269 Y CB 2.631 41.117 38.460 0.043 0.000 1.249 2269 Y HN 1.092 nan 8.280 nan 0.000 0.468 2270 G N 1.952 110.873 108.800 0.202 0.000 2.448 2270 G HA2 0.652 4.483 3.960 -0.214 0.000 0.324 2270 G HA3 0.652 4.483 3.960 -0.214 0.000 0.324 2270 G C -1.803 173.199 174.900 0.170 0.000 1.203 2270 G CA -0.818 44.386 45.100 0.173 0.000 0.954 2270 G HN 0.510 nan 8.290 nan 0.000 0.480 2271 L N 1.508 122.792 121.223 0.102 0.000 2.287 2271 L HA 0.427 4.638 4.340 -0.214 0.000 0.287 2271 L C 0.401 177.373 176.870 0.170 0.000 1.022 2271 L CA -0.630 54.173 54.840 -0.061 0.000 0.814 2271 L CB 1.645 43.375 42.059 -0.547 0.000 1.217 2271 L HN 0.717 nan 8.230 nan 0.000 0.420 2272 Q N 2.239 122.139 119.800 0.166 0.000 2.301 2272 Q HA 0.461 4.672 4.340 -0.214 0.000 0.267 2272 Q C -0.921 175.210 176.000 0.218 0.000 1.035 2272 Q CA -0.850 55.077 55.803 0.208 0.000 0.856 2272 Q CB 2.155 30.994 28.738 0.168 0.000 1.337 2272 Q HN 0.564 nan 8.270 nan 0.000 0.450 2273 C N 3.912 123.247 119.300 0.059 0.000 2.168 2273 C HA 0.531 4.862 4.460 -0.214 0.000 0.333 2273 C C 0.524 175.706 174.990 0.320 0.000 1.106 2273 C CA 0.263 59.391 59.018 0.184 0.000 1.574 2273 C CB -1.064 26.607 27.740 -0.116 0.000 2.055 2273 C HN 0.887 nan 8.230 nan 0.000 0.473 2274 T N 2.644 117.370 114.554 0.287 0.000 2.864 2274 T HA 0.391 4.612 4.350 -0.214 0.000 0.276 2274 T C 1.325 176.033 174.700 0.013 0.000 1.006 2274 T CA -0.542 61.601 62.100 0.071 0.000 0.970 2274 T CB 0.534 69.394 68.868 -0.014 0.000 1.420 2274 T HN 0.603 nan 8.240 nan 0.000 0.601 2275 R N -0.308 119.964 120.500 -0.379 0.000 2.193 2275 R HA 0.058 4.269 4.340 -0.214 0.000 0.229 2275 R C 2.527 178.778 176.300 -0.081 0.000 1.110 2275 R CA 1.032 56.993 56.100 -0.232 0.000 0.988 2275 R CB -0.728 29.383 30.300 -0.315 0.000 0.871 2275 R HN 0.743 nan 8.270 nan 0.000 0.458 2276 A N 1.315 124.088 122.820 -0.078 0.000 2.014 2276 A HA 0.117 4.309 4.320 -0.214 0.000 0.218 2276 A C 1.166 178.475 177.584 -0.459 0.000 1.163 2276 A CA 0.755 52.685 52.037 -0.178 0.000 0.652 2276 A CB -0.126 18.859 19.000 -0.024 0.000 0.808 2276 A HN 0.311 nan 8.150 nan 0.000 0.449 2277 A N 1.622 124.308 122.820 -0.223 0.000 2.522 2277 A HA 0.478 4.669 4.320 -0.214 0.000 0.256 2277 A C -2.286 175.169 177.584 -0.215 0.000 1.086 2277 A CA -0.978 50.923 52.037 -0.227 0.000 0.763 2277 A CB -0.315 18.798 19.000 0.189 0.000 1.024 2277 A HN 0.316 nan 8.150 nan 0.000 0.502 2278 P HA 0.250 nan 4.420 nan 0.000 0.287 2278 P C -0.399 176.830 177.300 -0.119 0.000 1.281 2278 P CA -0.237 62.752 63.100 -0.186 0.000 0.781 2278 P CB 1.224 32.819 31.700 -0.176 0.000 0.903 2279 L N 2.976 124.125 121.223 -0.123 0.000 2.857 2279 L HA 0.080 4.291 4.340 -0.214 0.000 0.249 2279 L C 1.707 178.505 176.870 -0.120 0.000 1.172 2279 L CA 0.649 55.436 54.840 -0.089 0.000 0.980 2279 L CB -0.810 41.212 42.059 -0.061 0.000 1.299 2279 L HN 0.389 nan 8.230 nan 0.000 0.535 2280 D N -0.999 119.323 120.400 -0.131 0.000 2.263 2280 D HA -0.074 4.437 4.640 -0.214 0.000 0.208 2280 D C 0.645 176.934 176.300 -0.018 0.000 0.971 2280 D CA 0.925 54.869 54.000 -0.095 0.000 0.867 2280 D CB 0.460 41.213 40.800 -0.079 0.000 0.929 2280 D HN 0.336 nan 8.370 nan 0.000 0.492 2281 S N -1.564 114.135 115.700 -0.003 0.000 2.611 2281 S HA 0.252 4.594 4.470 -0.214 0.000 0.270 2281 S C 0.545 175.131 174.600 -0.025 0.000 1.131 2281 S CA -0.879 57.343 58.200 0.037 0.000 0.826 2281 S CB 0.569 63.854 63.200 0.141 0.000 1.095 2281 S HN -0.128 nan 8.310 nan 0.000 0.461 2282 I N 1.591 122.092 120.570 -0.115 0.000 2.286 2282 I HA -0.151 3.891 4.170 -0.214 0.000 0.248 2282 I C 2.487 178.434 176.117 -0.282 0.000 1.115 2282 I CA 1.686 62.797 61.300 -0.315 0.000 1.392 2282 I CB -1.833 35.735 38.000 -0.720 0.000 1.065 2282 I HN 0.760 nan 8.210 nan 0.000 0.418 2283 H N 0.486 119.550 119.070 -0.010 0.000 2.319 2283 H HA -0.089 4.340 4.556 -0.212 0.000 0.299 2283 H C 2.489 177.798 175.328 -0.032 0.000 1.092 2283 H CA 1.717 57.771 56.048 0.010 0.000 1.302 2283 H CB -0.411 29.388 29.762 0.062 0.000 1.373 2283 H HN 0.263 nan 8.280 nan 0.000 0.497 2284 S N 0.912 116.667 115.700 0.093 0.000 2.356 2284 S HA -0.115 4.226 4.470 -0.214 0.000 0.223 2284 S C 2.313 176.887 174.600 -0.042 0.000 1.032 2284 S CA 0.906 59.117 58.200 0.018 0.000 1.005 2284 S CB -0.399 62.798 63.200 -0.005 0.000 0.867 2284 S HN 0.132 nan 8.310 nan 0.000 0.449 2285 L N 2.001 123.162 121.223 -0.103 0.000 2.012 2285 L HA -0.043 4.168 4.340 -0.214 0.000 0.210 2285 L C 2.389 179.064 176.870 -0.325 0.000 1.073 2285 L CA 1.988 56.688 54.840 -0.234 0.000 0.748 2285 L CB -1.123 40.812 42.059 -0.207 0.000 0.891 2285 L HN 0.254 nan 8.230 nan 0.000 0.431 2286 A N -0.610 122.091 122.820 -0.198 0.000 1.908 2286 A HA -0.149 4.043 4.320 -0.214 0.000 0.218 2286 A C 2.448 179.983 177.584 -0.081 0.000 1.181 2286 A CA 1.994 53.952 52.037 -0.132 0.000 0.627 2286 A CB -1.192 17.740 19.000 -0.113 0.000 0.818 2286 A HN 0.591 nan 8.150 nan 0.000 0.445 2287 A N -1.416 121.378 122.820 -0.042 0.000 1.877 2287 A HA -0.112 4.079 4.320 -0.214 0.000 0.216 2287 A C 2.151 179.742 177.584 0.012 0.000 1.186 2287 A CA 1.717 53.746 52.037 -0.014 0.000 0.620 2287 A CB -0.894 18.115 19.000 0.015 0.000 0.822 2287 A HN 0.744 nan 8.150 nan 0.000 0.443 2288 Y N -0.559 119.682 120.300 -0.097 0.000 2.128 2288 Y HA -0.302 4.128 4.550 -0.199 0.000 0.284 2288 Y C 2.199 178.133 175.900 0.058 0.000 1.154 2288 Y CA 1.841 59.910 58.100 -0.053 0.000 1.149 2288 Y CB -0.697 37.704 38.460 -0.098 0.000 0.976 2288 Y HN 0.464 nan 8.280 nan 0.000 0.505 2289 Y N -0.770 119.423 120.300 -0.178 0.000 2.242 2289 Y HA -0.248 4.382 4.550 0.133 0.000 0.291 2289 Y C 2.563 178.254 175.900 -0.347 0.000 1.137 2289 Y CA 0.765 58.690 58.100 -0.291 0.000 1.181 2289 Y CB -0.239 38.150 38.460 -0.117 0.000 0.989 2289 Y HN 0.115 nan 8.280 nan 0.000 0.527 2290 I N 0.338 120.825 120.570 -0.138 0.000 2.163 2290 I HA -0.360 3.682 4.170 -0.214 0.000 0.243 2290 I C 1.791 177.749 176.117 -0.266 0.000 1.085 2290 I CA 1.430 62.568 61.300 -0.271 0.000 1.347 2290 I CB -0.382 37.486 38.000 -0.219 0.000 1.044 2290 I HN 0.228 nan 8.210 nan 0.000 0.408 2291 D N 0.287 120.572 120.400 -0.192 0.000 2.158 2291 D HA -0.187 4.325 4.640 -0.214 0.000 0.197 2291 D C 2.246 178.420 176.300 -0.210 0.000 0.995 2291 D CA 1.315 55.217 54.000 -0.163 0.000 0.846 2291 D CB -0.488 40.255 40.800 -0.096 0.000 0.941 2291 D HN 0.402 nan 8.370 nan 0.000 0.456 2292 C N 0.928 120.047 119.300 -0.301 0.000 2.466 2292 C HA -0.019 4.313 4.460 -0.214 0.000 0.278 2292 C C 2.805 177.628 174.990 -0.278 0.000 1.288 2292 C CA 0.055 58.905 59.018 -0.281 0.000 1.722 2292 C CB -0.965 26.573 27.740 -0.336 0.000 2.017 2292 C HN 0.454 nan 8.230 nan 0.000 0.488 2293 I N 0.153 120.476 120.570 -0.411 0.000 2.394 2293 I HA -0.124 3.918 4.170 -0.214 0.000 0.251 2293 I C 2.451 178.338 176.117 -0.383 0.000 1.136 2293 I CA 1.573 62.484 61.300 -0.647 0.000 1.425 2293 I CB -0.656 36.542 38.000 -1.337 0.000 1.079 2293 I HN 0.237 nan 8.210 nan 0.000 0.425 2294 R N 0.787 121.127 120.500 -0.267 0.000 2.285 2294 R HA -0.052 4.160 4.340 -0.214 0.000 0.213 2294 R C 2.140 178.413 176.300 -0.046 0.000 1.068 2294 R CA 0.867 56.911 56.100 -0.094 0.000 1.004 2294 R CB -0.166 30.079 30.300 -0.090 0.000 0.873 2294 R HN 0.629 nan 8.270 nan 0.000 0.467 2295 Q N -0.394 119.361 119.800 -0.075 0.000 2.245 2295 Q HA -0.040 4.171 4.340 -0.214 0.000 0.201 2295 Q C 1.694 177.682 176.000 -0.019 0.000 0.955 2295 Q CA 0.901 56.682 55.803 -0.037 0.000 0.870 2295 Q CB 0.491 29.204 28.738 -0.040 0.000 0.945 2295 Q HN 0.150 nan 8.270 nan 0.000 0.461 2296 V N -0.460 119.432 119.914 -0.037 0.000 3.307 2296 V HA 0.003 3.995 4.120 -0.214 0.000 0.253 2296 V C 0.553 176.685 176.094 0.064 0.000 1.149 2296 V CA 0.592 62.883 62.300 -0.015 0.000 1.112 2296 V CB 0.640 32.366 31.823 -0.162 0.000 0.777 2296 V HN 0.204 nan 8.190 nan 0.000 0.464 2297 Q N -0.270 119.591 119.800 0.103 0.000 2.878 2297 Q HA 0.240 4.452 4.340 -0.214 0.000 0.232 2297 Q C -2.353 173.733 176.000 0.144 0.000 0.893 2297 Q CA -1.393 54.498 55.803 0.147 0.000 0.742 2297 Q CB 2.363 31.272 28.738 0.286 0.000 1.354 2297 Q HN 0.207 nan 8.270 nan 0.000 0.466 2298 P HA -0.108 nan 4.420 nan 0.000 0.219 2298 P C -0.592 176.762 177.300 0.091 0.000 1.146 2298 P CA 1.204 64.346 63.100 0.070 0.000 0.808 2298 P CB 0.381 32.100 31.700 0.032 0.000 0.779 2299 E N -1.524 118.681 120.200 0.008 0.000 2.336 2299 E HA 0.517 4.739 4.350 -0.214 0.000 0.267 2299 E C 0.190 176.527 176.600 -0.439 0.000 0.906 2299 E CA -0.994 55.363 56.400 -0.073 0.000 0.781 2299 E CB 1.710 31.374 29.700 -0.060 0.000 1.261 2299 E HN -0.108 nan 8.360 nan 0.000 0.436 2300 G N 1.146 109.677 108.800 -0.448 0.000 2.563 2300 G HA2 0.342 4.173 3.960 -0.214 0.000 0.283 2300 G HA3 0.342 4.173 3.960 -0.214 0.000 0.283 2300 G C -2.169 172.543 174.900 -0.312 0.000 1.309 2300 G CA -0.781 43.917 45.100 -0.670 0.000 1.022 2300 G HN 0.316 nan 8.290 nan 0.000 0.501 2301 P HA 0.150 nan 4.420 nan 0.000 0.269 2301 P C -1.423 175.730 177.300 -0.246 0.000 1.215 2301 P CA 0.135 63.151 63.100 -0.140 0.000 0.780 2301 P CB 0.506 32.199 31.700 -0.013 0.000 0.898 2302 Y N 0.525 120.875 120.300 0.084 0.000 2.387 2302 Y HA 0.448 4.878 4.550 -0.199 0.000 0.336 2302 Y C 1.094 177.092 175.900 0.164 0.000 1.067 2302 Y CA -0.631 57.552 58.100 0.138 0.000 1.114 2302 Y CB 1.833 40.341 38.460 0.079 0.000 1.208 2302 Y HN 0.151 nan 8.280 nan 0.000 0.458 2303 R N 1.967 122.706 120.500 0.398 0.000 2.246 2303 R HA 0.600 4.812 4.340 -0.214 0.000 0.332 2303 R C -1.360 175.172 176.300 0.386 0.000 0.974 2303 R CA -0.628 55.674 56.100 0.336 0.000 0.837 2303 R CB 1.549 32.009 30.300 0.268 0.000 1.145 2303 R HN 0.457 nan 8.270 nan 0.000 0.467 2304 V N 1.003 121.098 119.914 0.302 0.000 2.841 2304 V HA 0.949 4.941 4.120 -0.214 0.000 0.310 2304 V C -1.402 174.792 176.094 0.167 0.000 1.090 2304 V CA -0.538 61.902 62.300 0.233 0.000 0.930 2304 V CB 2.003 33.911 31.823 0.142 0.000 1.014 2304 V HN 0.829 nan 8.190 nan 0.000 0.425 2305 A N 3.624 126.497 122.820 0.089 0.000 2.539 2305 A HA 1.024 5.216 4.320 -0.214 0.000 0.296 2305 A C -0.227 177.335 177.584 -0.037 0.000 1.073 2305 A CA -0.225 51.778 52.037 -0.056 0.000 0.700 2305 A CB 1.996 20.883 19.000 -0.188 0.000 1.296 2305 A HN 2.036 nan 8.150 nan 0.000 0.405 2306 G N -0.557 108.221 108.800 -0.037 0.000 2.638 2306 G HA2 0.537 4.369 3.960 -0.214 0.000 0.302 2306 G HA3 0.537 4.369 3.960 -0.214 0.000 0.302 2306 G C -1.784 173.341 174.900 0.374 0.000 1.365 2306 G CA -0.390 44.814 45.100 0.173 0.000 0.987 2306 G HN 1.046 nan 8.290 nan 0.000 0.495 2307 Y N 2.893 123.490 120.300 0.495 0.000 2.331 2307 Y HA 0.526 4.938 4.550 -0.231 0.000 0.338 2307 Y C 0.975 177.102 175.900 0.379 0.000 0.976 2307 Y CA 0.299 58.712 58.100 0.521 0.000 1.137 2307 Y CB 1.356 40.157 38.460 0.569 0.000 1.172 2307 Y HN 1.128 nan 8.280 nan 0.000 0.478 2308 S N 4.267 119.904 115.700 -0.105 0.000 4.151 2308 S HA -0.435 3.907 4.470 -0.214 0.000 0.603 2308 S C 1.210 175.923 174.600 0.189 0.000 1.878 2308 S CA 1.867 60.042 58.200 -0.041 0.000 4.246 2308 S CB -1.825 61.140 63.200 -0.393 0.000 0.211 2308 S HN 0.997 nan 8.310 nan 0.000 0.469 2309 Y N 2.390 122.757 120.300 0.113 0.000 2.193 2309 Y HA -0.007 4.403 4.550 -0.234 0.000 0.285 2309 Y C 2.413 178.392 175.900 0.130 0.000 1.166 2309 Y CA 2.669 60.880 58.100 0.184 0.000 1.181 2309 Y CB -1.028 37.532 38.460 0.165 0.000 0.976 2309 Y HN 0.531 nan 8.280 nan 0.000 0.520 2310 G N -0.602 108.370 108.800 0.286 0.000 2.470 2310 G HA2 -0.210 3.621 3.960 -0.214 0.000 0.220 2310 G HA3 -0.210 3.621 3.960 -0.214 0.000 0.220 2310 G C 1.755 176.702 174.900 0.078 0.000 1.121 2310 G CA 0.695 45.888 45.100 0.155 0.000 0.766 2310 G HN 0.598 nan 8.290 nan 0.000 0.553 2311 A N 0.155 123.026 122.820 0.084 0.000 1.902 2311 A HA -0.143 4.048 4.320 -0.214 0.000 0.217 2311 A C 2.612 180.170 177.584 -0.043 0.000 1.181 2311 A CA 1.851 53.906 52.037 0.030 0.000 0.623 2311 A CB -1.139 17.891 19.000 0.050 0.000 0.818 2311 A HN 0.646 nan 8.150 nan 0.000 0.443 2312 C N -0.993 118.226 119.300 -0.134 0.000 2.457 2312 C HA 0.017 4.349 4.460 -0.214 0.000 0.278 2312 C C 2.578 177.400 174.990 -0.280 0.000 1.309 2312 C CA 1.190 60.063 59.018 -0.242 0.000 1.735 2312 C CB -1.381 26.155 27.740 -0.341 0.000 1.992 2312 C HN 0.372 nan 8.230 nan 0.000 0.493 2313 V N 2.060 121.819 119.914 -0.258 0.000 2.307 2313 V HA -0.068 3.923 4.120 -0.214 0.000 0.245 2313 V C 3.119 179.152 176.094 -0.103 0.000 1.045 2313 V CA 2.162 64.342 62.300 -0.200 0.000 1.024 2313 V CB -1.483 30.302 31.823 -0.064 0.000 0.651 2313 V HN 0.675 nan 8.190 nan 0.000 0.449 2314 A N -0.449 122.343 122.820 -0.047 0.000 1.933 2314 A HA -0.239 3.952 4.320 -0.214 0.000 0.218 2314 A C 2.113 179.638 177.584 -0.099 0.000 1.175 2314 A CA 1.967 53.978 52.037 -0.044 0.000 0.628 2314 A CB -0.721 18.271 19.000 -0.013 0.000 0.814 2314 A HN 0.533 nan 8.150 nan 0.000 0.444 2315 F N 0.797 120.614 119.950 -0.223 0.000 2.134 2315 F HA -0.145 4.249 4.527 -0.221 0.000 0.299 2315 F C 2.186 177.817 175.800 -0.283 0.000 1.097 2315 F CA 2.180 60.002 58.000 -0.297 0.000 1.264 2315 F CB -0.112 38.748 39.000 -0.232 0.000 1.001 2315 F HN 0.337 nan 8.300 nan 0.000 0.479 2316 E N 0.276 120.392 120.200 -0.139 0.000 2.107 2316 E HA -0.182 4.040 4.350 -0.214 0.000 0.191 2316 E C 2.128 178.616 176.600 -0.187 0.000 0.982 2316 E CA 1.624 57.938 56.400 -0.142 0.000 0.809 2316 E CB -0.340 29.254 29.700 -0.177 0.000 0.756 2316 E HN 0.497 nan 8.360 nan 0.000 0.459 2317 M N -0.418 119.073 119.600 -0.182 0.000 2.082 2317 M HA -0.253 4.098 4.480 -0.214 0.000 0.258 2317 M C 2.446 178.616 176.300 -0.216 0.000 1.071 2317 M CA 1.866 57.062 55.300 -0.172 0.000 1.103 2317 M CB -0.577 31.939 32.600 -0.141 0.000 1.307 2317 M HN 0.270 nan 8.290 nan 0.000 0.409 2318 C N -0.645 118.477 119.300 -0.296 0.000 2.429 2318 C HA -0.114 4.217 4.460 -0.214 0.000 0.277 2318 C C 3.221 178.068 174.990 -0.238 0.000 1.262 2318 C CA 1.355 60.208 59.018 -0.276 0.000 1.733 2318 C CB -1.067 26.418 27.740 -0.425 0.000 2.010 2318 C HN 0.673 nan 8.230 nan 0.000 0.483 2319 S N 0.030 115.420 115.700 -0.516 0.000 2.400 2319 S HA -0.230 4.111 4.470 -0.214 0.000 0.232 2319 S C 1.875 176.418 174.600 -0.095 0.000 1.025 2319 S CA 1.648 59.677 58.200 -0.286 0.000 0.993 2319 S CB -0.294 62.644 63.200 -0.438 0.000 0.808 2319 S HN 0.750 nan 8.310 nan 0.000 0.478 2320 Q N -0.090 119.650 119.800 -0.100 0.000 2.163 2320 Q HA 0.148 4.359 4.340 -0.214 0.000 0.198 2320 Q C 2.273 178.244 176.000 -0.047 0.000 0.954 2320 Q CA 0.986 56.758 55.803 -0.051 0.000 0.851 2320 Q CB -0.174 28.536 28.738 -0.047 0.000 0.928 2320 Q HN 0.510 nan 8.270 nan 0.000 0.459 2321 L N 0.831 122.017 121.223 -0.062 0.000 2.012 2321 L HA -0.274 3.937 4.340 -0.214 0.000 0.210 2321 L C 2.726 179.605 176.870 0.016 0.000 1.073 2321 L CA 1.569 56.393 54.840 -0.027 0.000 0.748 2321 L CB -0.503 41.542 42.059 -0.023 0.000 0.891 2321 L HN 0.337 nan 8.230 nan 0.000 0.431 2322 Q N 0.194 120.014 119.800 0.034 0.000 2.096 2322 Q HA -0.267 3.944 4.340 -0.214 0.000 0.204 2322 Q C 2.257 178.257 176.000 -0.000 0.000 0.982 2322 Q CA 1.951 57.767 55.803 0.022 0.000 0.850 2322 Q CB -0.136 28.619 28.738 0.028 0.000 0.901 2322 Q HN 0.508 nan 8.270 nan 0.000 0.422 2323 A N 0.775 123.591 122.820 -0.007 0.000 1.940 2323 A HA -0.246 3.946 4.320 -0.214 0.000 0.219 2323 A C 1.917 179.497 177.584 -0.006 0.000 1.176 2323 A CA 1.809 53.841 52.037 -0.009 0.000 0.631 2323 A CB -0.531 18.462 19.000 -0.012 0.000 0.814 2323 A HN 0.620 nan 8.150 nan 0.000 0.446 2324 Q N -1.139 118.659 119.800 -0.005 0.000 2.389 2324 Q HA -0.070 4.141 4.340 -0.214 0.000 0.204 2324 Q C 1.795 177.797 176.000 0.003 0.000 0.944 2324 Q CA 1.069 56.871 55.803 -0.002 0.000 0.908 2324 Q CB -0.002 28.734 28.738 -0.003 0.000 1.002 2324 Q HN 0.798 nan 8.270 nan 0.000 0.493 2325 Q N -0.026 119.777 119.800 0.005 0.000 2.396 2325 Q HA 0.113 4.325 4.340 -0.214 0.000 0.209 2325 Q C 0.476 176.469 176.000 -0.011 0.000 0.906 2325 Q CA -0.172 55.631 55.803 -0.001 0.000 0.927 2325 Q CB 0.685 29.424 28.738 0.001 0.000 1.069 2325 Q HN 0.002 nan 8.270 nan 0.000 0.523 2326 S N 1.504 117.201 115.700 -0.006 0.000 2.549 2326 S HA 0.050 4.392 4.470 -0.214 0.000 0.286 2326 S C -1.608 172.988 174.600 -0.006 0.000 1.314 2326 S CA -1.116 57.083 58.200 -0.002 0.000 1.062 2326 S CB 0.584 63.790 63.200 0.011 0.000 0.865 2326 S HN 0.122 nan 8.310 nan 0.000 0.498 2327 P HA 0.282 nan 4.420 nan 0.000 0.255 2327 P C -0.161 177.121 177.300 -0.030 0.000 1.248 2327 P CA -0.131 62.961 63.100 -0.014 0.000 0.807 2327 P CB -0.121 31.570 31.700 -0.015 0.000 1.150 2328 A N 2.581 125.379 122.820 -0.037 0.000 2.531 2328 A HA 0.288 4.480 4.320 -0.214 0.000 0.236 2328 A C -1.817 175.709 177.584 -0.097 0.000 1.062 2328 A CA -0.563 51.439 52.037 -0.059 0.000 0.760 2328 A CB -0.664 18.303 19.000 -0.054 0.000 0.995 2328 A HN 0.071 nan 8.150 nan 0.000 0.501 2329 P HA 0.163 nan 4.420 nan 0.000 0.214 2329 P C -0.142 176.855 177.300 -0.505 0.000 1.849 2329 P CA -0.091 62.856 63.100 -0.255 0.000 1.022 2329 P CB -0.019 31.576 31.700 -0.176 0.000 1.912 2330 T N 1.169 115.514 114.554 -0.348 0.000 2.869 2330 T HA 0.135 4.357 4.350 -0.214 0.000 0.295 2330 T C -0.064 174.405 174.700 -0.386 0.000 0.987 2330 T CA -0.302 61.596 62.100 -0.337 0.000 1.109 2330 T CB 0.007 68.799 68.868 -0.128 0.000 0.932 2330 T HN 0.263 nan 8.240 nan 0.000 0.518 2331 H N 5.141 124.208 119.070 -0.005 0.000 2.700 2331 H HA 0.316 4.742 4.556 -0.216 0.000 0.269 2331 H C 0.134 175.476 175.328 0.023 0.000 1.222 2331 H CA -0.766 55.279 56.048 -0.005 0.000 1.254 2331 H CB 0.065 29.817 29.762 -0.017 0.000 1.413 2331 H HN 0.579 nan 8.280 nan 0.000 0.507 2332 N N 1.190 119.969 118.700 0.133 0.000 2.508 2332 N HA 0.042 4.654 4.740 -0.214 0.000 0.264 2332 N C 0.043 175.618 175.510 0.108 0.000 1.216 2332 N CA -0.002 53.139 53.050 0.152 0.000 0.943 2332 N CB 1.050 39.655 38.487 0.196 0.000 1.113 2332 N HN 0.318 nan 8.380 nan 0.000 0.447 2333 S N 1.394 117.139 115.700 0.075 0.000 2.438 2333 S HA 0.324 4.666 4.470 -0.214 0.000 0.293 2333 S C -0.217 174.275 174.600 -0.179 0.000 1.141 2333 S CA -0.625 57.516 58.200 -0.098 0.000 1.080 2333 S CB 0.523 63.704 63.200 -0.032 0.000 0.978 2333 S HN 0.327 nan 8.310 nan 0.000 0.479 2334 L N 4.732 125.757 121.223 -0.330 0.000 2.325 2334 L HA 0.655 4.866 4.340 -0.214 0.000 0.281 2334 L C -1.716 174.854 176.870 -0.500 0.000 1.004 2334 L CA -0.447 54.233 54.840 -0.268 0.000 0.823 2334 L CB 0.282 42.274 42.059 -0.113 0.000 1.236 2334 L HN 0.518 nan 8.230 nan 0.000 0.415 2335 F N 5.685 125.566 119.950 -0.116 0.000 2.467 2335 F HA 0.554 4.943 4.527 -0.230 0.000 0.336 2335 F C -0.435 175.111 175.800 -0.424 0.000 1.123 2335 F CA -0.636 57.219 58.000 -0.242 0.000 0.964 2335 F CB 1.515 40.321 39.000 -0.323 0.000 1.136 2335 F HN 0.166 nan 8.300 nan 0.000 0.447 2336 L N 4.582 125.719 121.223 -0.143 0.000 2.294 2336 L HA 0.438 4.650 4.340 -0.214 0.000 0.283 2336 L C -0.971 175.881 176.870 -0.030 0.000 1.015 2336 L CA -0.514 54.251 54.840 -0.124 0.000 0.831 2336 L CB 0.946 42.991 42.059 -0.023 0.000 1.217 2336 L HN 0.563 nan 8.230 nan 0.000 0.420 2337 F N 2.127 122.240 119.950 0.271 0.000 2.405 2337 F HA 0.102 4.494 4.527 -0.225 0.000 0.358 2337 F C 0.770 176.779 175.800 0.349 0.000 1.151 2337 F CA -0.536 57.657 58.000 0.322 0.000 1.161 2337 F CB 0.321 39.580 39.000 0.432 0.000 1.245 2337 F HN 0.581 nan 8.300 nan 0.000 0.545 2338 D N 2.488 123.140 120.400 0.420 0.000 2.704 2338 D HA -0.145 4.367 4.640 -0.214 0.000 0.232 2338 D C -0.033 176.559 176.300 0.487 0.000 1.183 2338 D CA 1.366 55.614 54.000 0.414 0.000 0.647 2338 D CB -0.608 40.515 40.800 0.538 0.000 1.013 2338 D HN 0.828 nan 8.370 nan 0.000 0.415 2339 G N -0.909 108.125 108.800 0.390 0.000 2.720 2339 G HA2 0.577 4.408 3.960 -0.214 0.000 0.295 2339 G HA3 0.577 4.408 3.960 -0.214 0.000 0.295 2339 G C -0.707 174.346 174.900 0.255 0.000 1.437 2339 G CA -0.116 45.181 45.100 0.329 0.000 0.886 2339 G HN 0.447 nan 8.290 nan 0.000 0.509 2340 S N 1.087 116.807 115.700 0.034 0.000 2.617 2340 S HA 0.643 4.984 4.470 -0.214 0.000 0.283 2340 S C -1.651 172.731 174.600 -0.363 0.000 1.189 2340 S CA -1.379 56.733 58.200 -0.146 0.000 1.036 2340 S CB 2.653 65.674 63.200 -0.299 0.000 1.014 2340 S HN 0.431 nan 8.310 nan 0.000 0.522 2341 P HA 0.050 nan 4.420 nan 0.000 0.230 2341 P C 0.435 177.469 177.300 -0.443 0.000 1.158 2341 P CA 0.942 63.691 63.100 -0.585 0.000 0.769 2341 P CB 0.038 30.964 31.700 -1.290 0.000 0.807 2342 T N -2.429 111.842 114.554 -0.471 0.000 2.749 2342 T HA 0.505 4.726 4.350 -0.214 0.000 0.310 2342 T C -1.963 172.405 174.700 -0.553 0.000 1.496 2342 T CA -0.470 61.455 62.100 -0.292 0.000 1.006 2342 T CB 0.684 69.432 68.868 -0.200 0.000 1.457 2342 T HN -0.279 nan 8.240 nan 0.000 0.497 2361 A N 1.149 123.943 122.820 -0.043 0.000 2.015 2361 A HA -0.163 4.029 4.320 -0.214 0.000 0.219 2361 A C 1.661 179.207 177.584 -0.063 0.000 1.163 2361 A CA 1.832 53.827 52.037 -0.069 0.000 0.646 2361 A CB -0.095 18.878 19.000 -0.046 0.000 0.806 2361 A HN 0.544 nan 8.150 nan 0.000 0.448 2362 E N -0.207 119.977 120.200 -0.028 0.000 2.076 2362 E HA -0.036 4.186 4.350 -0.214 0.000 0.190 2362 E C 2.247 178.850 176.600 0.004 0.000 0.979 2362 E CA 0.783 57.179 56.400 -0.006 0.000 0.807 2362 E CB -0.138 29.568 29.700 0.011 0.000 0.761 2362 E HN 0.520 nan 8.360 nan 0.000 0.454 2363 A N 1.476 124.304 122.820 0.014 0.000 1.877 2363 A HA -0.222 3.970 4.320 -0.214 0.000 0.216 2363 A C 1.935 179.525 177.584 0.011 0.000 1.186 2363 A CA 1.687 53.764 52.037 0.067 0.000 0.620 2363 A CB -0.524 18.567 19.000 0.152 0.000 0.822 2363 A HN 0.261 nan 8.150 nan 0.000 0.443 2364 E N -0.925 119.132 120.200 -0.237 0.000 2.051 2364 E HA -0.134 4.087 4.350 -0.214 0.000 0.192 2364 E C 2.132 178.601 176.600 -0.218 0.000 0.991 2364 E CA 1.602 57.675 56.400 -0.545 0.000 0.799 2364 E CB -0.369 28.932 29.700 -0.664 0.000 0.748 2364 E HN 0.583 nan 8.360 nan 0.000 0.449 2365 T N 1.303 115.784 114.554 -0.122 0.000 2.652 2365 T HA -0.165 4.057 4.350 -0.214 0.000 0.267 2365 T C 1.660 176.376 174.700 0.027 0.000 1.039 2365 T CA 1.215 63.286 62.100 -0.049 0.000 1.153 2365 T CB -0.165 68.681 68.868 -0.037 0.000 0.863 2365 T HN 0.120 nan 8.240 nan 0.000 0.428 2366 E N 0.997 121.237 120.200 0.067 0.000 2.077 2366 E HA -0.040 4.181 4.350 -0.214 0.000 0.193 2366 E C 2.560 179.302 176.600 0.237 0.000 0.989 2366 E CA 1.120 57.614 56.400 0.157 0.000 0.800 2366 E CB -0.473 29.311 29.700 0.139 0.000 0.746 2366 E HN 0.503 nan 8.360 nan 0.000 0.452 2367 A N 1.228 124.169 122.820 0.202 0.000 1.877 2367 A HA -0.137 4.054 4.320 -0.214 0.000 0.216 2367 A C 2.310 180.196 177.584 0.503 0.000 1.186 2367 A CA 1.185 53.415 52.037 0.323 0.000 0.620 2367 A CB -0.623 18.514 19.000 0.227 0.000 0.822 2367 A HN 0.165 nan 8.150 nan 0.000 0.443 2368 I N -1.229 119.501 120.570 0.267 0.000 2.439 2368 I HA -0.218 3.823 4.170 -0.214 0.000 0.251 2368 I C 2.607 178.873 176.117 0.249 0.000 1.139 2368 I CA 0.603 62.038 61.300 0.224 0.000 1.438 2368 I CB -0.387 37.627 38.000 0.023 0.000 1.085 2368 I HN 0.526 nan 8.210 nan 0.000 0.427 2369 C N 0.923 120.341 119.300 0.196 0.000 2.388 2369 C HA -0.286 4.046 4.460 -0.214 0.000 0.277 2369 C C 2.820 177.955 174.990 0.242 0.000 1.210 2369 C CA 1.298 60.405 59.018 0.149 0.000 1.743 2369 C CB -0.964 26.826 27.740 0.083 0.000 2.047 2369 C HN 0.585 nan 8.230 nan 0.000 0.458 2370 F N 0.148 120.241 119.950 0.238 0.000 2.126 2370 F HA -0.120 4.277 4.527 -0.216 0.000 0.299 2370 F C 1.898 177.783 175.800 0.141 0.000 1.096 2370 F CA 2.178 60.316 58.000 0.231 0.000 1.255 2370 F CB -0.744 38.441 39.000 0.308 0.000 0.997 2370 F HN 0.348 nan 8.300 nan 0.000 0.479 2371 F N 0.504 120.534 119.950 0.133 0.000 2.065 2371 F HA -0.267 4.130 4.527 -0.218 0.000 0.298 2371 F C 2.206 177.983 175.800 -0.037 0.000 1.112 2371 F CA 2.248 60.159 58.000 -0.149 0.000 1.212 2371 F CB -0.895 38.014 39.000 -0.153 0.000 0.975 2371 F HN -0.167 nan 8.300 nan 0.000 0.476 2372 V N 0.328 120.319 119.914 0.128 0.000 2.332 2372 V HA -0.365 3.626 4.120 -0.214 0.000 0.248 2372 V C 2.266 178.339 176.094 -0.036 0.000 1.055 2372 V CA 2.354 64.680 62.300 0.042 0.000 1.038 2372 V CB -0.908 30.956 31.823 0.069 0.000 0.651 2372 V HN 0.442 nan 8.190 nan 0.000 0.450 2373 Q N -0.926 118.815 119.800 -0.098 0.000 2.291 2373 Q HA -0.234 3.977 4.340 -0.214 0.000 0.206 2373 Q C 2.229 178.069 176.000 -0.267 0.000 0.976 2373 Q CA 1.086 56.796 55.803 -0.155 0.000 0.875 2373 Q CB -0.089 28.558 28.738 -0.152 0.000 0.927 2373 Q HN 0.525 nan 8.270 nan 0.000 0.450 2374 Q N -1.232 118.333 119.800 -0.392 0.000 2.432 2374 Q HA 0.018 4.229 4.340 -0.214 0.000 0.205 2374 Q C 0.551 176.255 176.000 -0.494 0.000 0.945 2374 Q CA 0.858 56.368 55.803 -0.488 0.000 0.924 2374 Q CB 0.368 28.723 28.738 -0.639 0.000 1.016 2374 Q HN 0.321 nan 8.270 nan 0.000 0.503 2375 F N -1.253 118.479 119.950 -0.363 0.000 2.717 2375 F HA 0.209 4.605 4.527 -0.218 0.000 0.297 2375 F C 0.864 176.648 175.800 -0.028 0.000 1.113 2375 F CA 0.197 58.049 58.000 -0.246 0.000 1.319 2375 F CB 0.606 39.421 39.000 -0.308 0.000 1.097 2375 F HN -0.169 nan 8.300 nan 0.000 0.595 2376 T N -4.059 110.551 114.554 0.093 0.000 2.916 2376 T HA 0.311 4.533 4.350 -0.214 0.000 0.292 2376 T C 0.017 174.717 174.700 -0.001 0.000 1.064 2376 T CA -0.695 61.444 62.100 0.065 0.000 1.011 2376 T CB 2.027 70.916 68.868 0.035 0.000 1.152 2376 T HN -0.200 nan 8.240 nan 0.000 0.510 2377 D N 0.713 121.107 120.400 -0.010 0.000 2.336 2377 D HA 0.221 4.732 4.640 -0.214 0.000 0.228 2377 D C 0.563 176.852 176.300 -0.018 0.000 1.120 2377 D CA 0.027 54.014 54.000 -0.022 0.000 0.839 2377 D CB -0.093 40.694 40.800 -0.022 0.000 0.932 2377 D HN 0.532 nan 8.370 nan 0.000 0.509 2378 M N 1.187 120.778 119.600 -0.015 0.000 2.252 2378 M HA -0.032 4.319 4.480 -0.214 0.000 0.329 2378 M C 0.746 177.049 176.300 0.005 0.000 1.101 2378 M CA 0.464 55.758 55.300 -0.009 0.000 1.117 2378 M CB 0.665 33.258 32.600 -0.012 0.000 1.563 2378 M HN -0.132 nan 8.290 nan 0.000 0.445 2379 E N 1.136 121.343 120.200 0.012 0.000 2.360 2379 E HA -0.036 4.185 4.350 -0.214 0.000 0.269 2379 E C 0.379 177.012 176.600 0.055 0.000 1.022 2379 E CA -0.091 56.332 56.400 0.039 0.000 0.887 2379 E CB 0.544 30.262 29.700 0.030 0.000 0.990 2379 E HN 0.649 nan 8.360 nan 0.000 0.426 2380 H N 3.797 122.874 119.070 0.013 0.000 2.319 2380 H HA -0.188 4.239 4.556 -0.215 0.000 0.297 2380 H C 1.569 176.914 175.328 0.028 0.000 1.097 2380 H CA 2.433 58.497 56.048 0.027 0.000 1.285 2380 H CB 0.269 30.055 29.762 0.040 0.000 1.368 2380 H HN 0.511 nan 8.280 nan 0.000 0.495 2381 N N -0.452 118.257 118.700 0.015 0.000 2.396 2381 N HA -0.103 4.509 4.740 -0.214 0.000 0.180 2381 N C 1.438 176.913 175.510 -0.059 0.000 1.028 2381 N CA 0.383 53.412 53.050 -0.034 0.000 0.893 2381 N CB 0.128 38.645 38.487 0.051 0.000 0.967 2381 N HN 0.288 nan 8.380 nan 0.000 0.440 2382 R N 0.533 121.008 120.500 -0.040 0.000 2.090 2382 R HA 0.003 4.214 4.340 -0.214 0.000 0.228 2382 R C 2.236 178.502 176.300 -0.056 0.000 1.110 2382 R CA 0.555 56.633 56.100 -0.036 0.000 0.973 2382 R CB -1.127 29.161 30.300 -0.019 0.000 0.869 2382 R HN 0.118 nan 8.270 nan 0.000 0.440 2383 V N 1.460 121.326 119.914 -0.081 0.000 2.307 2383 V HA -0.191 3.801 4.120 -0.214 0.000 0.245 2383 V C 2.417 178.444 176.094 -0.111 0.000 1.045 2383 V CA 1.368 63.617 62.300 -0.086 0.000 1.024 2383 V CB -0.656 31.116 31.823 -0.086 0.000 0.651 2383 V HN 0.085 nan 8.190 nan 0.000 0.449 2384 L N 0.682 121.791 121.223 -0.191 0.000 2.017 2384 L HA -0.196 4.015 4.340 -0.214 0.000 0.208 2384 L C 2.691 179.509 176.870 -0.087 0.000 1.073 2384 L CA 2.437 57.173 54.840 -0.173 0.000 0.745 2384 L CB -0.711 41.194 42.059 -0.258 0.000 0.894 2384 L HN 0.567 nan 8.230 nan 0.000 0.432 2385 E N -0.513 119.645 120.200 -0.070 0.000 2.160 2385 E HA -0.254 3.967 4.350 -0.214 0.000 0.195 2385 E C 1.877 178.456 176.600 -0.036 0.000 0.991 2385 E CA 1.242 57.618 56.400 -0.040 0.000 0.810 2385 E CB -0.154 29.528 29.700 -0.029 0.000 0.742 2385 E HN 0.557 nan 8.360 nan 0.000 0.466 2386 A N 0.980 123.776 122.820 -0.041 0.000 1.930 2386 A HA 0.013 4.204 4.320 -0.214 0.000 0.215 2386 A C 2.194 179.756 177.584 -0.036 0.000 1.176 2386 A CA 0.801 52.818 52.037 -0.034 0.000 0.632 2386 A CB -0.280 18.701 19.000 -0.031 0.000 0.819 2386 A HN 0.303 nan 8.150 nan 0.000 0.445 2387 L N -1.304 119.892 121.223 -0.044 0.000 2.249 2387 L HA 0.033 4.245 4.340 -0.214 0.000 0.207 2387 L C 2.347 179.189 176.870 -0.047 0.000 1.090 2387 L CA 0.164 54.976 54.840 -0.046 0.000 0.802 2387 L CB -0.340 41.691 42.059 -0.048 0.000 0.947 2387 L HN 0.341 nan 8.230 nan 0.000 0.453 2388 L N 1.562 122.759 121.223 -0.042 0.000 2.012 2388 L HA -0.123 4.088 4.340 -0.214 0.000 0.210 2388 L C -0.278 176.573 176.870 -0.032 0.000 1.073 2388 L CA 2.243 57.062 54.840 -0.035 0.000 0.748 2388 L CB -1.457 40.586 42.059 -0.026 0.000 0.891 2388 L HN 0.156 nan 8.230 nan 0.000 0.431 2389 P HA -0.045 nan 4.420 nan 0.000 0.241 2389 P C 0.662 177.945 177.300 -0.027 0.000 1.191 2389 P CA 0.428 63.514 63.100 -0.024 0.000 0.771 2389 P CB 0.023 31.711 31.700 -0.020 0.000 0.929 2390 L N -0.046 121.157 121.223 -0.034 0.000 2.476 2390 L HA 0.073 4.284 4.340 -0.214 0.000 0.264 2390 L C 2.048 178.895 176.870 -0.040 0.000 1.224 2390 L CA -0.066 54.752 54.840 -0.036 0.000 0.821 2390 L CB 0.231 42.265 42.059 -0.043 0.000 1.101 2390 L HN -0.141 nan 8.230 nan 0.000 0.488 2391 K N 1.130 121.508 120.400 -0.036 0.000 2.103 2391 K HA 0.093 4.285 4.320 -0.214 0.000 0.215 2391 K C 0.753 177.325 176.600 -0.047 0.000 1.027 2391 K CA 0.707 56.973 56.287 -0.035 0.000 0.953 2391 K CB -0.325 32.160 32.500 -0.024 0.000 0.904 2391 K HN 0.768 nan 8.250 nan 0.000 0.454 2392 G N 1.328 110.101 108.800 -0.044 0.000 2.653 2392 G HA2 0.092 3.923 3.960 -0.214 0.000 0.265 2392 G HA3 0.092 3.923 3.960 -0.214 0.000 0.265 2392 G C 0.820 175.664 174.900 -0.093 0.000 1.237 2392 G CA -0.278 44.790 45.100 -0.054 0.000 0.946 2392 G HN 0.331 nan 8.290 nan 0.000 0.522 2393 L N -0.814 120.339 121.223 -0.117 0.000 2.083 2393 L HA 0.012 4.223 4.340 -0.214 0.000 0.209 2393 L C 2.423 179.220 176.870 -0.123 0.000 1.083 2393 L CA 2.232 56.961 54.840 -0.184 0.000 0.752 2393 L CB -0.471 41.456 42.059 -0.221 0.000 0.899 2393 L HN 0.593 nan 8.230 nan 0.000 0.433 2394 E N -0.217 119.944 120.200 -0.065 0.000 2.268 2394 E HA -0.156 4.065 4.350 -0.214 0.000 0.195 2394 E C 2.014 178.587 176.600 -0.044 0.000 0.995 2394 E CA 0.988 57.364 56.400 -0.039 0.000 0.836 2394 E CB -0.002 29.693 29.700 -0.008 0.000 0.763 2394 E HN 0.632 nan 8.360 nan 0.000 0.491 2395 E N -0.453 119.717 120.200 -0.050 0.000 2.076 2395 E HA -0.061 4.160 4.350 -0.214 0.000 0.190 2395 E C 2.164 178.731 176.600 -0.055 0.000 0.979 2395 E CA 0.390 56.763 56.400 -0.045 0.000 0.807 2395 E CB -0.012 29.664 29.700 -0.040 0.000 0.761 2395 E HN 0.133 nan 8.360 nan 0.000 0.454 2396 R N 0.575 121.028 120.500 -0.078 0.000 2.083 2396 R HA -0.135 4.076 4.340 -0.214 0.000 0.237 2396 R C 2.448 178.699 176.300 -0.082 0.000 1.137 2396 R CA 1.332 57.380 56.100 -0.087 0.000 0.951 2396 R CB -0.387 29.837 30.300 -0.127 0.000 0.851 2396 R HN 0.024 nan 8.270 nan 0.000 0.434 2397 V N 0.746 120.600 119.914 -0.099 0.000 2.407 2397 V HA -0.235 3.757 4.120 -0.214 0.000 0.248 2397 V C 2.358 178.412 176.094 -0.066 0.000 1.055 2397 V CA 1.894 64.132 62.300 -0.103 0.000 1.049 2397 V CB -0.715 31.040 31.823 -0.112 0.000 0.662 2397 V HN 0.439 nan 8.190 nan 0.000 0.455 2398 A N 0.220 123.012 122.820 -0.048 0.000 1.877 2398 A HA -0.107 4.084 4.320 -0.214 0.000 0.216 2398 A C 2.467 180.035 177.584 -0.026 0.000 1.186 2398 A CA 2.069 54.088 52.037 -0.030 0.000 0.620 2398 A CB -0.888 18.099 19.000 -0.023 0.000 0.822 2398 A HN 0.560 nan 8.150 nan 0.000 0.443 2399 A N -0.072 122.731 122.820 -0.029 0.000 1.908 2399 A HA 0.088 4.280 4.320 -0.214 0.000 0.218 2399 A C 2.519 180.093 177.584 -0.016 0.000 1.181 2399 A CA 2.357 54.380 52.037 -0.023 0.000 0.627 2399 A CB -1.098 17.885 19.000 -0.027 0.000 0.818 2399 A HN 1.119 nan 8.150 nan 0.000 0.445 2400 A N -0.498 122.312 122.820 -0.017 0.000 1.883 2400 A HA -0.056 4.135 4.320 -0.214 0.000 0.217 2400 A C 2.242 179.830 177.584 0.007 0.000 1.186 2400 A CA 1.990 54.032 52.037 0.009 0.000 0.624 2400 A CB -1.088 17.920 19.000 0.013 0.000 0.822 2400 A HN 0.479 nan 8.150 nan 0.000 0.444 2401 V N 0.832 120.738 119.914 -0.012 0.000 2.332 2401 V HA -0.271 3.721 4.120 -0.214 0.000 0.248 2401 V C 2.154 178.245 176.094 -0.004 0.000 1.055 2401 V CA 2.309 64.602 62.300 -0.013 0.000 1.038 2401 V CB -0.921 30.893 31.823 -0.016 0.000 0.651 2401 V HN 0.515 nan 8.190 nan 0.000 0.450 2402 D N 0.284 120.681 120.400 -0.005 0.000 2.117 2402 D HA -0.112 4.400 4.640 -0.214 0.000 0.197 2402 D C 2.154 178.453 176.300 -0.001 0.000 0.987 2402 D CA 1.195 55.193 54.000 -0.003 0.000 0.829 2402 D CB -0.266 40.530 40.800 -0.007 0.000 0.961 2402 D HN 0.366 nan 8.370 nan 0.000 0.460 2403 L N 0.286 121.509 121.223 -0.000 0.000 2.093 2403 L HA -0.079 4.133 4.340 -0.214 0.000 0.208 2403 L C 2.468 179.345 176.870 0.012 0.000 1.085 2403 L CA 0.710 55.551 54.840 0.002 0.000 0.755 2403 L CB -0.325 41.735 42.059 0.002 0.000 0.904 2403 L HN -0.005 nan 8.230 nan 0.000 0.435 2404 I N -0.572 120.010 120.570 0.021 0.000 2.406 2404 I HA -0.221 3.820 4.170 -0.214 0.000 0.249 2404 I C 2.399 178.561 176.117 0.074 0.000 1.122 2404 I CA 0.646 61.979 61.300 0.056 0.000 1.431 2404 I CB -0.121 37.876 38.000 -0.005 0.000 1.087 2404 I HN 0.140 nan 8.210 nan 0.000 0.424 2405 I N 1.276 121.870 120.570 0.040 0.000 2.208 2405 I HA -0.268 3.773 4.170 -0.214 0.000 0.245 2405 I C 2.354 178.481 176.117 0.015 0.000 1.097 2405 I CA 1.680 63.003 61.300 0.038 0.000 1.363 2405 I CB -1.055 36.959 38.000 0.022 0.000 1.051 2405 I HN 0.273 nan 8.210 nan 0.000 0.413 2406 K N -0.120 120.278 120.400 -0.003 0.000 2.280 2406 K HA -0.131 4.060 4.320 -0.214 0.000 0.202 2406 K C 2.254 178.817 176.600 -0.063 0.000 1.047 2406 K CA 1.274 57.546 56.287 -0.025 0.000 0.942 2406 K CB -0.050 32.435 32.500 -0.023 0.000 0.739 2406 K HN 0.168 nan 8.250 nan 0.000 0.457 2407 S N -0.500 115.151 115.700 -0.082 0.000 2.441 2407 S HA -0.015 4.326 4.470 -0.214 0.000 0.224 2407 S C -0.151 174.162 174.600 -0.477 0.000 1.043 2407 S CA 0.244 58.298 58.200 -0.243 0.000 0.948 2407 S CB 0.167 63.260 63.200 -0.178 0.000 0.810 2407 S HN 0.312 nan 8.310 nan 0.000 0.504 2408 H N 0.812 119.893 119.070 0.019 0.000 3.021 2408 H HA 0.368 4.797 4.556 -0.213 0.000 0.293 2408 H C 0.152 175.494 175.328 0.023 0.000 1.244 2408 H CA -0.496 55.566 56.048 0.024 0.000 1.596 2408 H CB 1.058 30.848 29.762 0.047 0.000 1.720 2408 H HN 0.088 nan 8.280 nan 0.000 0.537 2409 Q N 1.762 121.616 119.800 0.090 0.000 2.311 2409 Q HA -0.006 4.205 4.340 -0.214 0.000 0.203 2409 Q C 1.927 177.964 176.000 0.062 0.000 0.954 2409 Q CA 0.987 56.824 55.803 0.057 0.000 0.885 2409 Q CB 0.321 29.075 28.738 0.027 0.000 0.963 2409 Q HN 0.821 nan 8.270 nan 0.000 0.471 2410 G N 0.217 109.063 108.800 0.077 0.000 2.920 2410 G HA2 0.091 3.922 3.960 -0.214 0.000 0.208 2410 G HA3 0.091 3.922 3.960 -0.214 0.000 0.208 2410 G C 0.618 175.554 174.900 0.060 0.000 1.159 2410 G CA -0.172 44.964 45.100 0.060 0.000 0.784 2410 G HN 0.107 nan 8.290 nan 0.000 0.535 2411 L N 1.068 122.338 121.223 0.079 0.000 2.371 2411 L HA 0.225 4.436 4.340 -0.214 0.000 0.272 2411 L C -0.045 176.858 176.870 0.056 0.000 1.124 2411 L CA -0.753 54.131 54.840 0.073 0.000 0.816 2411 L CB 1.209 43.327 42.059 0.098 0.000 1.129 2411 L HN 0.043 nan 8.230 nan 0.000 0.448 2412 D N 2.814 123.246 120.400 0.052 0.000 2.348 2412 D HA 0.033 4.544 4.640 -0.214 0.000 0.253 2412 D C 0.989 177.314 176.300 0.041 0.000 1.161 2412 D CA -0.068 53.959 54.000 0.044 0.000 0.876 2412 D CB 1.095 41.922 40.800 0.045 0.000 1.160 2412 D HN 0.447 nan 8.370 nan 0.000 0.459 2413 R N 2.252 122.771 120.500 0.032 0.000 2.115 2413 R HA -0.131 4.080 4.340 -0.214 0.000 0.230 2413 R C 2.014 178.334 176.300 0.033 0.000 1.111 2413 R CA 1.248 57.364 56.100 0.025 0.000 0.976 2413 R CB 0.181 30.492 30.300 0.019 0.000 0.870 2413 R HN 0.616 nan 8.270 nan 0.000 0.445 2414 Q N 0.048 119.872 119.800 0.041 0.000 2.137 2414 Q HA -0.105 4.106 4.340 -0.214 0.000 0.198 2414 Q C 1.718 177.775 176.000 0.095 0.000 0.960 2414 Q CA 0.978 56.814 55.803 0.054 0.000 0.847 2414 Q CB 0.125 28.883 28.738 0.034 0.000 0.915 2414 Q HN 0.428 nan 8.270 nan 0.000 0.448 2415 E N 0.857 121.113 120.200 0.094 0.000 2.072 2415 E HA -0.138 4.083 4.350 -0.214 0.000 0.191 2415 E C 2.007 178.694 176.600 0.145 0.000 0.985 2415 E CA 0.778 57.264 56.400 0.144 0.000 0.801 2415 E CB 0.015 29.785 29.700 0.117 0.000 0.750 2415 E HN 0.305 nan 8.360 nan 0.000 0.452 2416 L N 0.391 121.657 121.223 0.071 0.000 2.109 2416 L HA -0.126 4.086 4.340 -0.214 0.000 0.207 2416 L C 2.665 179.514 176.870 -0.035 0.000 1.086 2416 L CA 0.662 55.508 54.840 0.010 0.000 0.760 2416 L CB -0.252 41.786 42.059 -0.034 0.000 0.910 2416 L HN 0.114 nan 8.230 nan 0.000 0.437 2417 S N -0.105 115.598 115.700 0.005 0.000 2.355 2417 S HA -0.206 4.136 4.470 -0.214 0.000 0.222 2417 S C 1.988 176.589 174.600 0.002 0.000 1.031 2417 S CA 1.047 59.240 58.200 -0.013 0.000 0.993 2417 S CB -0.310 62.908 63.200 0.030 0.000 0.859 2417 S HN 0.403 nan 8.310 nan 0.000 0.453 2418 F N 2.449 122.372 119.950 -0.046 0.000 2.171 2418 F HA 0.104 4.496 4.527 -0.225 0.000 0.300 2418 F C 2.218 177.988 175.800 -0.051 0.000 1.090 2418 F CA 1.152 59.138 58.000 -0.024 0.000 1.293 2418 F CB -0.889 38.115 39.000 0.007 0.000 1.013 2418 F HN 0.271 nan 8.300 nan 0.000 0.486 2419 A N 0.369 123.066 122.820 -0.205 0.000 1.898 2419 A HA 0.031 4.222 4.320 -0.214 0.000 0.216 2419 A C 2.426 179.600 177.584 -0.682 0.000 1.181 2419 A CA 1.623 53.490 52.037 -0.283 0.000 0.620 2419 A CB -1.496 17.580 19.000 0.127 0.000 0.819 2419 A HN 0.488 nan 8.150 nan 0.000 0.442 2420 A N -0.219 121.993 122.820 -1.013 0.000 1.855 2420 A HA -0.130 4.061 4.320 -0.214 0.000 0.215 2420 A C 2.251 179.505 177.584 -0.550 0.000 1.191 2420 A CA 1.696 52.935 52.037 -1.330 0.000 0.613 2420 A CB -0.547 17.906 19.000 -0.911 0.000 0.829 2420 A HN 0.530 nan 8.150 nan 0.000 0.442 2421 R N 0.318 120.605 120.500 -0.356 0.000 2.083 2421 R HA -0.168 4.044 4.340 -0.214 0.000 0.237 2421 R C 2.455 178.670 176.300 -0.141 0.000 1.137 2421 R CA 2.297 58.284 56.100 -0.189 0.000 0.951 2421 R CB -0.302 29.965 30.300 -0.054 0.000 0.851 2421 R HN 0.658 nan 8.270 nan 0.000 0.434 2422 S N -0.557 114.975 115.700 -0.280 0.000 2.406 2422 S HA -0.137 4.204 4.470 -0.214 0.000 0.228 2422 S C 1.879 176.411 174.600 -0.113 0.000 1.020 2422 S CA 0.698 58.757 58.200 -0.236 0.000 0.965 2422 S CB -0.609 62.172 63.200 -0.699 0.000 0.798 2422 S HN 0.475 nan 8.310 nan 0.000 0.488 2423 F N 1.508 121.294 119.950 -0.273 0.000 2.126 2423 F HA -0.171 4.225 4.527 -0.219 0.000 0.299 2423 F C 2.333 178.078 175.800 -0.091 0.000 1.096 2423 F CA 1.770 59.682 58.000 -0.148 0.000 1.255 2423 F CB -0.455 38.491 39.000 -0.090 0.000 0.997 2423 F HN 0.286 nan 8.300 nan 0.000 0.479 2424 Y N -0.019 120.121 120.300 -0.266 0.000 2.114 2424 Y HA -0.291 4.132 4.550 -0.211 0.000 0.284 2424 Y C 2.057 177.770 175.900 -0.312 0.000 1.143 2424 Y CA 1.884 59.764 58.100 -0.366 0.000 1.135 2424 Y CB -1.326 36.892 38.460 -0.403 0.000 0.980 2424 Y HN 0.209 nan 8.280 nan 0.000 0.499 2425 Y N 0.362 120.413 120.300 -0.415 0.000 2.274 2425 Y HA -0.205 4.216 4.550 -0.216 0.000 0.290 2425 Y C 2.486 178.202 175.900 -0.307 0.000 1.145 2425 Y CA 1.425 59.269 58.100 -0.426 0.000 1.203 2425 Y CB -0.164 38.187 38.460 -0.182 0.000 0.984 2425 Y HN 0.071 nan 8.280 nan 0.000 0.533 2426 K N 0.168 120.502 120.400 -0.109 0.000 2.057 2426 K HA -0.167 4.024 4.320 -0.214 0.000 0.207 2426 K C 1.904 178.464 176.600 -0.065 0.000 1.049 2426 K CA 1.241 57.483 56.287 -0.076 0.000 0.931 2426 K CB -0.260 32.070 32.500 -0.282 0.000 0.714 2426 K HN 0.274 nan 8.250 nan 0.000 0.440 2427 L N 0.443 121.478 121.223 -0.313 0.000 1.976 2427 L HA -0.190 4.021 4.340 -0.214 0.000 0.209 2427 L C 2.707 179.443 176.870 -0.223 0.000 1.071 2427 L CA 1.249 55.905 54.840 -0.308 0.000 0.746 2427 L CB -0.408 41.358 42.059 -0.488 0.000 0.890 2427 L HN 0.193 nan 8.230 nan 0.000 0.432 2428 R N 0.118 120.417 120.500 -0.335 0.000 2.113 2428 R HA -0.268 3.944 4.340 -0.214 0.000 0.244 2428 R C 2.207 178.446 176.300 -0.102 0.000 1.142 2428 R CA 1.952 57.895 56.100 -0.261 0.000 0.953 2428 R CB -0.328 29.712 30.300 -0.433 0.000 0.860 2428 R HN 0.412 nan 8.270 nan 0.000 0.438 2429 A N 0.259 123.046 122.820 -0.054 0.000 1.930 2429 A HA -0.050 4.142 4.320 -0.214 0.000 0.217 2429 A C 2.307 179.913 177.584 0.037 0.000 1.175 2429 A CA 1.564 53.609 52.037 0.013 0.000 0.627 2429 A CB -0.603 18.416 19.000 0.032 0.000 0.815 2429 A HN 0.554 nan 8.150 nan 0.000 0.443 2430 A N -0.141 122.698 122.820 0.033 0.000 1.930 2430 A HA -0.129 4.062 4.320 -0.214 0.000 0.217 2430 A C 1.876 179.498 177.584 0.063 0.000 1.175 2430 A CA 1.541 53.594 52.037 0.026 0.000 0.627 2430 A CB -0.440 18.527 19.000 -0.055 0.000 0.815 2430 A HN 0.633 nan 8.150 nan 0.000 0.443 2431 E N -0.331 119.864 120.200 -0.008 0.000 2.152 2431 E HA -0.162 4.060 4.350 -0.214 0.000 0.192 2431 E C 1.939 178.562 176.600 0.038 0.000 0.983 2431 E CA 1.060 57.458 56.400 -0.004 0.000 0.818 2431 E CB -0.124 29.547 29.700 -0.048 0.000 0.758 2431 E HN 0.717 nan 8.360 nan 0.000 0.467 2432 Q N -0.260 119.572 119.800 0.053 0.000 2.451 2432 Q HA -0.040 4.171 4.340 -0.214 0.000 0.206 2432 Q C -0.143 175.923 176.000 0.111 0.000 0.947 2432 Q CA 0.099 55.944 55.803 0.069 0.000 0.937 2432 Q CB 0.160 28.940 28.738 0.069 0.000 1.025 2432 Q HN 0.235 nan 8.270 nan 0.000 0.511 2433 Y N 2.186 122.487 120.300 0.002 0.000 2.404 2433 Y HA 0.149 4.580 4.550 -0.198 0.000 0.344 2433 Y C -0.302 175.600 175.900 0.004 0.000 0.995 2433 Y CA -0.335 57.751 58.100 -0.023 0.000 1.201 2433 Y CB 0.704 39.105 38.460 -0.099 0.000 1.151 2433 Y HN -0.159 nan 8.280 nan 0.000 0.517 2434 T N 5.715 119.913 114.554 -0.592 0.000 2.881 2434 T HA 0.545 4.767 4.350 -0.214 0.000 0.290 2434 T C -3.014 171.269 174.700 -0.695 0.000 1.000 2434 T CA -2.517 59.227 62.100 -0.594 0.000 0.978 2434 T CB 1.714 70.447 68.868 -0.227 0.000 0.997 2434 T HN 0.365 nan 8.240 nan 0.000 0.443 2435 P HA 0.213 nan 4.420 nan 0.000 0.266 2435 P C 0.542 177.824 177.300 -0.030 0.000 1.195 2435 P CA -0.476 62.521 63.100 -0.172 0.000 0.768 2435 P CB 0.586 32.351 31.700 0.109 0.000 0.838 2436 K N 0.959 121.395 120.400 0.061 0.000 2.379 2436 K HA 0.320 4.511 4.320 -0.214 0.000 0.194 2436 K C 0.699 177.308 176.600 0.016 0.000 1.031 2436 K CA 0.374 56.671 56.287 0.016 0.000 1.037 2436 K CB 0.366 32.858 32.500 -0.013 0.000 0.824 2436 K HN 0.519 nan 8.250 nan 0.000 0.516 2437 A N 0.682 123.526 122.820 0.040 0.000 2.593 2437 A HA 0.496 4.687 4.320 -0.214 0.000 0.290 2437 A C -1.062 176.551 177.584 0.048 0.000 1.126 2437 A CA -0.746 51.306 52.037 0.024 0.000 0.695 2437 A CB 1.322 20.318 19.000 -0.005 0.000 1.290 2437 A HN -0.123 nan 8.150 nan 0.000 0.414 2438 K N 0.823 121.233 120.400 0.016 0.000 2.297 2438 K HA 0.209 4.401 4.320 -0.214 0.000 0.286 2438 K C -1.523 174.983 176.600 -0.156 0.000 1.053 2438 K CA 0.011 56.317 56.287 0.032 0.000 0.940 2438 K CB 0.896 33.451 32.500 0.091 0.000 1.019 2438 K HN 0.638 nan 8.250 nan 0.000 0.475 2439 Y N 3.869 124.099 120.300 -0.115 0.000 2.365 2439 Y HA 0.034 4.461 4.550 -0.205 0.000 0.340 2439 Y C 1.133 176.974 175.900 -0.099 0.000 1.016 2439 Y CA 0.060 58.023 58.100 -0.229 0.000 1.196 2439 Y CB 0.422 38.778 38.460 -0.173 0.000 1.167 2439 Y HN 0.589 nan 8.280 nan 0.000 0.509 2440 H N 2.926 121.718 119.070 -0.463 0.000 2.512 2440 H HA 0.139 4.567 4.556 -0.213 0.000 0.279 2440 H C 1.276 176.280 175.328 -0.541 0.000 0.999 2440 H CA 0.522 56.322 56.048 -0.414 0.000 1.283 2440 H CB -0.425 29.168 29.762 -0.281 0.000 1.421 2440 H HN 0.748 nan 8.280 nan 0.000 0.554 2441 G N 0.711 108.936 108.800 -0.959 0.000 2.667 2441 G HA2 0.065 3.896 3.960 -0.214 0.000 0.250 2441 G HA3 0.065 3.896 3.960 -0.214 0.000 0.250 2441 G C -0.109 174.688 174.900 -0.171 0.000 1.212 2441 G CA -0.598 44.162 45.100 -0.567 0.000 0.874 2441 G HN 0.345 nan 8.290 nan 0.000 0.561 2442 N N -1.575 117.139 118.700 0.023 0.000 2.518 2442 N HA 0.407 5.018 4.740 -0.214 0.000 0.283 2442 N C -0.607 174.975 175.510 0.120 0.000 1.119 2442 N CA -0.579 52.508 53.050 0.061 0.000 0.983 2442 N CB 2.424 40.911 38.487 0.000 0.000 1.139 2442 N HN 0.386 nan 8.380 nan 0.000 0.465 2443 V N 2.361 122.343 119.914 0.113 0.000 2.735 2443 V HA 0.557 4.549 4.120 -0.214 0.000 0.310 2443 V C -1.176 174.920 176.094 0.003 0.000 1.061 2443 V CA -0.820 61.522 62.300 0.069 0.000 0.913 2443 V CB 1.886 33.820 31.823 0.185 0.000 1.005 2443 V HN 0.712 nan 8.190 nan 0.000 0.428 2444 M N 6.593 126.157 119.600 -0.060 0.000 2.125 2444 M HA 0.556 4.907 4.480 -0.214 0.000 0.321 2444 M C -1.734 174.608 176.300 0.070 0.000 0.983 2444 M CA -0.907 54.416 55.300 0.038 0.000 0.934 2444 M CB 1.500 34.166 32.600 0.110 0.000 1.542 2444 M HN 0.798 nan 8.290 nan 0.000 0.424 2445 L N 6.518 127.775 121.223 0.056 0.000 2.276 2445 L HA 0.454 4.666 4.340 -0.214 0.000 0.286 2445 L C -1.618 175.301 176.870 0.083 0.000 1.061 2445 L CA -0.221 54.623 54.840 0.007 0.000 0.807 2445 L CB 0.847 42.835 42.059 -0.118 0.000 1.177 2445 L HN 0.586 nan 8.230 nan 0.000 0.429 2446 L N 6.230 127.541 121.223 0.146 0.000 2.277 2446 L HA 0.485 4.696 4.340 -0.214 0.000 0.284 2446 L C 0.113 177.066 176.870 0.139 0.000 1.028 2446 L CA 0.019 54.992 54.840 0.221 0.000 0.835 2446 L CB 0.619 42.925 42.059 0.410 0.000 1.215 2446 L HN 0.728 nan 8.230 nan 0.000 0.425 2447 R N 2.222 122.749 120.500 0.045 0.000 2.474 2447 R HA 0.737 4.948 4.340 -0.214 0.000 0.295 2447 R C -0.175 176.193 176.300 0.114 0.000 0.980 2447 R CA -0.493 55.600 56.100 -0.012 0.000 0.934 2447 R CB 1.486 31.698 30.300 -0.148 0.000 1.101 2447 R HN 0.692 nan 8.270 nan 0.000 0.469 2448 A N 3.596 126.526 122.820 0.183 0.000 2.440 2448 A HA 0.092 4.284 4.320 -0.214 0.000 0.251 2448 A C 0.845 178.517 177.584 0.146 0.000 1.089 2448 A CA -0.206 51.939 52.037 0.179 0.000 0.779 2448 A CB 0.592 19.734 19.000 0.237 0.000 1.022 2448 A HN 1.039 nan 8.150 nan 0.000 0.492 2449 K N 1.271 121.739 120.400 0.113 0.000 2.057 2449 K HA -0.080 4.111 4.320 -0.214 0.000 0.206 2449 K C 0.415 177.070 176.600 0.091 0.000 1.050 2449 K CA 1.731 58.073 56.287 0.092 0.000 0.935 2449 K CB -0.010 32.534 32.500 0.072 0.000 0.715 2449 K HN 0.684 nan 8.250 nan 0.000 0.439 2450 T N 0.932 115.542 114.554 0.094 0.000 3.341 2450 T HA 0.164 4.385 4.350 -0.214 0.000 0.234 2450 T C 0.652 175.414 174.700 0.102 0.000 0.890 2450 T CA -0.136 62.015 62.100 0.085 0.000 0.952 2450 T CB 0.697 69.608 68.868 0.072 0.000 1.146 2450 T HN 0.372 nan 8.240 nan 0.000 0.591 2451 G N 1.252 110.122 108.800 0.117 0.000 2.632 2451 G HA2 0.538 4.370 3.960 -0.214 0.000 0.183 2451 G HA3 0.538 4.370 3.960 -0.214 0.000 0.183 2451 G C 0.492 175.440 174.900 0.080 0.000 1.592 2451 G CA 0.382 45.558 45.100 0.126 0.000 0.880 2451 G HN 0.800 nan 8.290 nan 0.000 0.399 2462 Y N 1.306 121.585 120.300 -0.036 0.000 3.234 2462 Y HA -0.387 4.032 4.550 -0.217 0.000 0.207 2462 Y C 0.748 176.575 175.900 -0.121 0.000 1.316 2462 Y CA 0.503 58.562 58.100 -0.068 0.000 1.309 2462 Y CB -1.789 36.635 38.460 -0.060 0.000 1.408 2462 Y HN 0.379 nan 8.280 nan 0.000 0.544 2463 N N -2.886 115.815 118.700 0.002 0.000 2.961 2463 N HA -0.246 4.365 4.740 -0.214 0.000 0.223 2463 N C 0.281 175.742 175.510 -0.082 0.000 0.866 2463 N CA 1.492 54.500 53.050 -0.070 0.000 1.030 2463 N CB -0.906 37.495 38.487 -0.143 0.000 1.037 2463 N HN 0.480 nan 8.380 nan 0.000 0.608 2464 L N 1.606 122.794 121.223 -0.059 0.000 2.473 2464 L HA 0.013 4.224 4.340 -0.214 0.000 0.265 2464 L C 1.911 178.776 176.870 -0.009 0.000 1.243 2464 L CA 1.337 56.142 54.840 -0.059 0.000 0.822 2464 L CB 0.288 42.333 42.059 -0.022 0.000 1.101 2464 L HN 0.490 nan 8.230 nan 0.000 0.507 2465 S N -1.965 113.751 115.700 0.027 0.000 2.524 2465 S HA -0.381 3.960 4.470 -0.214 0.000 0.249 2465 S C 1.087 175.707 174.600 0.034 0.000 1.261 2465 S CA 1.676 59.903 58.200 0.045 0.000 1.551 2465 S CB -1.253 61.967 63.200 0.034 0.000 1.976 2465 S HN 0.837 nan 8.310 nan 0.000 0.639 2466 Q N 0.356 120.161 119.800 0.008 0.000 2.398 2466 Q HA 0.278 4.489 4.340 -0.214 0.000 0.204 2466 Q C 2.154 178.160 176.000 0.010 0.000 0.932 2466 Q CA 1.309 57.113 55.803 0.002 0.000 0.916 2466 Q CB 0.421 29.146 28.738 -0.021 0.000 1.024 2466 Q HN 1.145 nan 8.270 nan 0.000 0.504 2467 V N -4.760 115.163 119.914 0.015 0.000 3.548 2467 V HA 0.290 4.281 4.120 -0.214 0.000 0.279 2467 V C 0.334 176.569 176.094 0.235 0.000 1.446 2467 V CA -0.598 61.748 62.300 0.076 0.000 1.023 2467 V CB 0.513 32.312 31.823 -0.040 0.000 0.820 2467 V HN 0.153 nan 8.190 nan 0.000 0.438 2468 C N 0.901 120.321 119.300 0.201 0.000 2.411 2468 C HA 0.725 5.057 4.460 -0.214 0.000 0.330 2468 C C 0.903 176.001 174.990 0.179 0.000 1.224 2468 C CA 0.158 59.347 59.018 0.285 0.000 1.770 2468 C CB 1.456 29.395 27.740 0.332 0.000 2.297 2468 C HN 0.579 nan 8.230 nan 0.000 0.507 2469 D N 1.616 122.127 120.400 0.184 0.000 2.454 2469 D HA 0.216 4.728 4.640 -0.214 0.000 0.214 2469 D C 1.026 177.381 176.300 0.093 0.000 1.088 2469 D CA 0.621 54.713 54.000 0.152 0.000 0.855 2469 D CB 0.556 41.522 40.800 0.277 0.000 1.025 2469 D HN 0.799 nan 8.370 nan 0.000 0.502 2470 G N -0.083 108.767 108.800 0.083 0.000 2.543 2470 G HA2 0.317 4.148 3.960 -0.214 0.000 0.267 2470 G HA3 0.317 4.148 3.960 -0.214 0.000 0.267 2470 G C -0.475 174.449 174.900 0.040 0.000 1.406 2470 G CA -0.553 44.568 45.100 0.035 0.000 1.048 2470 G HN -0.017 nan 8.290 nan 0.000 0.548 2471 K N -0.394 120.019 120.400 0.022 0.000 2.349 2471 K HA 0.395 4.586 4.320 -0.214 0.000 0.288 2471 K C -0.653 175.970 176.600 0.038 0.000 1.058 2471 K CA -0.027 56.271 56.287 0.019 0.000 0.953 2471 K CB 1.344 33.843 32.500 -0.002 0.000 0.997 2471 K HN 0.077 nan 8.250 nan 0.000 0.477 2472 V N 2.988 122.924 119.914 0.036 0.000 2.347 2472 V HA 0.203 4.195 4.120 -0.214 0.000 0.280 2472 V C -0.178 175.925 176.094 0.016 0.000 1.021 2472 V CA -0.629 61.695 62.300 0.039 0.000 0.847 2472 V CB 1.333 33.181 31.823 0.042 0.000 0.990 2472 V HN 0.782 nan 8.190 nan 0.000 0.444 2473 S N 4.812 120.525 115.700 0.021 0.000 2.475 2473 S HA 0.769 5.110 4.470 -0.214 0.000 0.298 2473 S C -0.845 173.753 174.600 -0.002 0.000 1.119 2473 S CA -0.513 57.690 58.200 0.005 0.000 1.085 2473 S CB 1.728 64.970 63.200 0.070 0.000 1.028 2473 S HN 0.999 nan 8.310 nan 0.000 0.489 2474 V N 4.840 124.691 119.914 -0.105 0.000 2.638 2474 V HA 0.678 4.670 4.120 -0.214 0.000 0.306 2474 V C -1.929 174.022 176.094 -0.239 0.000 1.052 2474 V CA -0.417 61.830 62.300 -0.088 0.000 0.885 2474 V CB 1.556 33.339 31.823 -0.067 0.000 0.999 2474 V HN 1.100 nan 8.190 nan 0.000 0.424 2475 H N 3.548 122.640 119.070 0.036 0.000 2.529 2475 H HA 0.667 5.094 4.556 -0.215 0.000 0.348 2475 H C -0.424 174.928 175.328 0.040 0.000 1.079 2475 H CA -0.546 55.530 56.048 0.047 0.000 1.198 2475 H CB 2.147 31.952 29.762 0.072 0.000 1.521 2475 H HN 0.656 nan 8.280 nan 0.000 0.514 2476 V N 4.886 124.882 119.914 0.137 0.000 2.530 2476 V HA 0.140 4.132 4.120 -0.214 0.000 0.282 2476 V C -0.129 176.036 176.094 0.118 0.000 1.048 2476 V CA -0.211 62.152 62.300 0.105 0.000 0.997 2476 V CB 0.596 32.464 31.823 0.075 0.000 0.987 2476 V HN 0.587 nan 8.190 nan 0.000 0.477 2477 I N 3.493 124.126 120.570 0.105 0.000 2.509 2477 I HA 0.363 4.404 4.170 -0.214 0.000 0.293 2477 I C 0.110 176.268 176.117 0.069 0.000 1.020 2477 I CA -1.038 60.313 61.300 0.086 0.000 1.088 2477 I CB 1.719 39.772 38.000 0.089 0.000 1.267 2477 I HN 0.595 nan 8.210 nan 0.000 0.430 2478 E N 3.887 124.116 120.200 0.047 0.000 2.558 2478 E HA 0.421 4.642 4.350 -0.214 0.000 0.255 2478 E C 0.206 176.827 176.600 0.035 0.000 0.968 2478 E CA 0.975 57.398 56.400 0.037 0.000 0.939 2478 E CB 0.265 29.978 29.700 0.021 0.000 0.921 2478 E HN 0.866 nan 8.360 nan 0.000 0.477 2479 G N 3.815 112.642 108.800 0.046 0.000 2.355 2479 G HA2 0.099 3.931 3.960 -0.214 0.000 0.619 2479 G HA3 0.099 3.931 3.960 -0.214 0.000 0.619 2479 G C -1.000 173.950 174.900 0.083 0.000 1.337 2479 G CA -0.381 44.749 45.100 0.049 0.000 0.993 2479 G HN 0.732 nan 8.290 nan 0.000 0.599 2480 D N -1.910 118.546 120.400 0.094 0.000 2.539 2480 D HA 0.502 5.014 4.640 -0.214 0.000 0.280 2480 D C 1.365 177.794 176.300 0.214 0.000 1.208 2480 D CA -0.038 54.049 54.000 0.144 0.000 1.088 2480 D CB 0.058 40.935 40.800 0.129 0.000 1.149 2480 D HN 0.524 nan 8.370 nan 0.000 0.596 2481 H N -0.770 118.392 119.070 0.153 0.000 2.394 2481 H HA -0.119 4.309 4.556 -0.213 0.000 0.297 2481 H C 1.768 177.270 175.328 0.289 0.000 1.113 2481 H CA 2.247 58.428 56.048 0.222 0.000 1.277 2481 H CB 0.263 30.136 29.762 0.186 0.000 1.370 2481 H HN 0.336 nan 8.280 nan 0.000 0.506 2482 R N -1.378 119.208 120.500 0.143 0.000 2.055 2482 R HA 0.015 4.226 4.340 -0.214 0.000 0.221 2482 R C 2.327 178.596 176.300 -0.052 0.000 1.154 2482 R CA 1.499 57.616 56.100 0.029 0.000 0.975 2482 R CB -0.578 29.739 30.300 0.029 0.000 0.869 2482 R HN 0.449 nan 8.270 nan 0.000 0.437 2483 T N 0.040 114.588 114.554 -0.010 0.000 3.160 2483 T HA 0.053 4.274 4.350 -0.214 0.000 0.257 2483 T C 1.853 176.524 174.700 -0.048 0.000 1.147 2483 T CA 0.160 62.236 62.100 -0.040 0.000 1.064 2483 T CB -0.134 68.727 68.868 -0.013 0.000 0.949 2483 T HN 0.138 nan 8.240 nan 0.000 0.526 2484 L N 0.201 121.411 121.223 -0.021 0.000 2.064 2484 L HA -0.044 4.167 4.340 -0.214 0.000 0.216 2484 L C 1.665 178.456 176.870 -0.131 0.000 1.077 2484 L CA 1.674 56.498 54.840 -0.026 0.000 0.766 2484 L CB -0.188 41.904 42.059 0.055 0.000 0.890 2484 L HN 0.370 nan 8.230 nan 0.000 0.435 2485 L N -0.647 120.445 121.223 -0.220 0.000 2.685 2485 L HA 0.217 4.428 4.340 -0.214 0.000 0.233 2485 L C 0.102 176.844 176.870 -0.213 0.000 1.173 2485 L CA -0.328 54.333 54.840 -0.298 0.000 0.961 2485 L CB -0.110 41.682 42.059 -0.445 0.000 1.217 2485 L HN 0.167 nan 8.230 nan 0.000 0.478 2486 E N -0.556 119.554 120.200 -0.150 0.000 2.378 2486 E HA 0.579 4.800 4.350 -0.214 0.000 0.265 2486 E C 0.531 177.079 176.600 -0.087 0.000 0.932 2486 E CA 0.059 56.392 56.400 -0.113 0.000 0.795 2486 E CB 1.403 31.048 29.700 -0.092 0.000 1.296 2486 E HN 0.059 nan 8.360 nan 0.000 0.438 2487 G N 1.240 109.996 108.800 -0.073 0.000 2.651 2487 G HA2 -0.426 3.406 3.960 -0.214 0.000 0.315 2487 G HA3 -0.426 3.406 3.960 -0.214 0.000 0.315 2487 G C 1.155 176.024 174.900 -0.052 0.000 1.258 2487 G CA 1.118 46.185 45.100 -0.055 0.000 1.002 2487 G HN 0.500 nan 8.290 nan 0.000 0.551 2488 S N 0.433 116.111 115.700 -0.037 0.000 2.348 2488 S HA -0.005 4.337 4.470 -0.214 0.000 0.221 2488 S C 2.616 177.198 174.600 -0.031 0.000 1.033 2488 S CA 2.176 60.359 58.200 -0.029 0.000 1.010 2488 S CB -1.096 62.095 63.200 -0.015 0.000 0.891 2488 S HN 1.770 nan 8.310 nan 0.000 0.442 2489 G N 1.673 110.455 108.800 -0.030 0.000 2.440 2489 G HA2 -0.174 3.657 3.960 -0.214 0.000 0.218 2489 G HA3 -0.174 3.657 3.960 -0.214 0.000 0.218 2489 G C 1.402 176.264 174.900 -0.063 0.000 1.154 2489 G CA 1.138 46.219 45.100 -0.030 0.000 0.767 2489 G HN 0.507 nan 8.290 nan 0.000 0.552 2490 L N 0.701 121.868 121.223 -0.093 0.000 2.012 2490 L HA -0.048 4.164 4.340 -0.214 0.000 0.210 2490 L C 2.538 179.344 176.870 -0.106 0.000 1.073 2490 L CA 2.577 57.340 54.840 -0.129 0.000 0.748 2490 L CB -0.615 41.360 42.059 -0.140 0.000 0.891 2490 L HN 0.388 nan 8.230 nan 0.000 0.431 2491 E N -1.261 118.891 120.200 -0.080 0.000 2.110 2491 E HA -0.230 3.992 4.350 -0.214 0.000 0.193 2491 E C 2.227 178.791 176.600 -0.059 0.000 0.988 2491 E CA 1.256 57.615 56.400 -0.069 0.000 0.804 2491 E CB -0.053 29.613 29.700 -0.056 0.000 0.745 2491 E HN 0.582 nan 8.360 nan 0.000 0.458 2492 S N 0.119 115.789 115.700 -0.049 0.000 2.368 2492 S HA -0.118 4.223 4.470 -0.214 0.000 0.225 2492 S C 1.948 176.515 174.600 -0.055 0.000 1.030 2492 S CA 0.951 59.127 58.200 -0.040 0.000 0.999 2492 S CB -0.134 63.055 63.200 -0.018 0.000 0.844 2492 S HN 0.272 nan 8.310 nan 0.000 0.459 2493 I N 1.317 121.849 120.570 -0.065 0.000 2.353 2493 I HA -0.135 3.906 4.170 -0.214 0.000 0.248 2493 I C 1.945 178.012 176.117 -0.084 0.000 1.119 2493 I CA 0.685 61.946 61.300 -0.065 0.000 1.417 2493 I CB -0.295 37.639 38.000 -0.109 0.000 1.078 2493 I HN 0.304 nan 8.210 nan 0.000 0.421 2494 I N 0.455 120.969 120.570 -0.093 0.000 2.226 2494 I HA -0.248 3.794 4.170 -0.214 0.000 0.245 2494 I C 2.654 178.747 176.117 -0.040 0.000 1.100 2494 I CA 1.495 62.746 61.300 -0.082 0.000 1.374 2494 I CB -1.253 36.694 38.000 -0.088 0.000 1.057 2494 I HN 0.178 nan 8.210 nan 0.000 0.413 2495 S N 1.100 116.778 115.700 -0.037 0.000 2.348 2495 S HA -0.114 4.228 4.470 -0.214 0.000 0.221 2495 S C 2.112 176.717 174.600 0.009 0.000 1.033 2495 S CA 1.205 59.404 58.200 -0.001 0.000 1.010 2495 S CB -0.311 62.878 63.200 -0.019 0.000 0.891 2495 S HN 0.328 nan 8.310 nan 0.000 0.442 2496 I N 1.339 121.877 120.570 -0.055 0.000 2.118 2496 I HA -0.237 3.804 4.170 -0.214 0.000 0.241 2496 I C 2.102 178.210 176.117 -0.014 0.000 1.070 2496 I CA 1.345 62.591 61.300 -0.089 0.000 1.327 2496 I CB -0.485 37.394 38.000 -0.202 0.000 1.034 2496 I HN 0.247 nan 8.210 nan 0.000 0.405 2497 I N -0.243 120.280 120.570 -0.079 0.000 2.127 2497 I HA -0.390 3.652 4.170 -0.214 0.000 0.241 2497 I C 2.738 178.844 176.117 -0.018 0.000 1.075 2497 I CA 1.688 62.876 61.300 -0.188 0.000 1.334 2497 I CB -0.807 36.961 38.000 -0.387 0.000 1.040 2497 I HN 0.371 nan 8.210 nan 0.000 0.405 2498 H N 1.184 120.216 119.070 -0.064 0.000 2.289 2498 H HA -0.226 4.201 4.556 -0.216 0.000 0.294 2498 H C 2.431 177.766 175.328 0.012 0.000 1.095 2498 H CA 2.477 58.510 56.048 -0.025 0.000 1.256 2498 H CB 0.062 29.804 29.762 -0.034 0.000 1.359 2498 H HN 0.426 nan 8.280 nan 0.000 0.487 2499 S N -0.711 114.957 115.700 -0.054 0.000 2.406 2499 S HA -0.118 4.223 4.470 -0.214 0.000 0.228 2499 S C 2.479 177.056 174.600 -0.038 0.000 1.020 2499 S CA 1.132 59.282 58.200 -0.083 0.000 0.965 2499 S CB -0.446 62.766 63.200 0.020 0.000 0.798 2499 S HN 0.376 nan 8.310 nan 0.000 0.488 2500 S N 1.050 116.779 115.700 0.049 0.000 2.402 2500 S HA 0.158 4.499 4.470 -0.214 0.000 0.229 2500 S C 1.753 176.424 174.600 0.119 0.000 1.021 2500 S CA 0.832 59.112 58.200 0.133 0.000 0.974 2500 S CB -0.514 62.879 63.200 0.323 0.000 0.800 2500 S HN 0.600 nan 8.310 nan 0.000 0.484 2501 L N 0.718 121.998 121.223 0.095 0.000 2.162 2501 L HA 0.298 4.509 4.340 -0.214 0.000 0.205 2501 L C 1.212 178.060 176.870 -0.036 0.000 1.086 2501 L CA 0.423 55.302 54.840 0.065 0.000 0.778 2501 L CB -0.484 41.622 42.059 0.079 0.000 0.928 2501 L HN 0.273 nan 8.230 nan 0.000 0.446 2502 A N 0.489 123.218 122.820 -0.152 0.000 2.289 2502 A HA 0.303 4.495 4.320 -0.214 0.000 0.298 2502 A C -0.285 177.235 177.584 -0.107 0.000 1.208 2502 A CA -0.440 51.494 52.037 -0.173 0.000 0.845 2502 A CB 0.121 18.904 19.000 -0.361 0.000 1.125 2502 A HN 0.156 nan 8.150 nan 0.000 0.517 2503 E N 2.833 122.997 120.200 -0.060 0.000 2.480 2503 E HA 0.227 4.449 4.350 -0.214 0.000 0.258 2503 E C -2.202 174.375 176.600 -0.039 0.000 0.984 2503 E CA -0.398 55.978 56.400 -0.040 0.000 0.930 2503 E CB -0.195 29.491 29.700 -0.025 0.000 0.936 2503 E HN 0.413 nan 8.360 nan 0.000 0.466 2504 P HA -0.020 nan 4.420 nan 0.000 0.262 2504 P C -0.908 176.388 177.300 -0.007 0.000 1.199 2504 P CA -0.024 63.067 63.100 -0.015 0.000 0.763 2504 P CB 0.420 32.116 31.700 -0.006 0.000 0.790 2505 R N 2.399 122.900 120.500 0.001 0.000 2.560 2505 R HA 0.577 4.788 4.340 -0.214 0.000 0.270 2505 R C 0.048 176.353 176.300 0.008 0.000 1.074 2505 R CA -0.897 55.206 56.100 0.006 0.000 1.140 2505 R CB -0.072 30.236 30.300 0.013 0.000 1.073 2505 R HN 0.277 nan 8.270 nan 0.000 0.527 2506 V N -1.823 118.095 119.914 0.006 0.000 3.177 2506 V HA 0.724 4.715 4.120 -0.214 0.000 0.319 2506 V C 0.041 176.140 176.094 0.008 0.000 1.125 2506 V CA -0.821 61.483 62.300 0.006 0.000 1.029 2506 V CB 1.695 33.520 31.823 0.004 0.000 1.119 2506 V HN 1.028 nan 8.190 nan 0.000 0.452 2507 S N 0.000 115.704 115.700 0.007 0.000 2.498 2507 S HA 0.000 4.341 4.470 -0.214 0.000 0.327 2507 S CA 0.000 58.204 58.200 0.007 0.000 1.107 2507 S CB 0.000 63.204 63.200 0.007 0.000 0.593 2507 S HN 0.000 nan 8.310 nan 0.000 0.517