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 2ovq_1_B DATA FIRST_RESID 2263 DATA SEQUENCE TQVKHMMQVI EPQFQRDFIS LLPKELALYV LSFLEPKDLL QAAQTCRYWR DATA SEQUENCE ILAEDNLLWR EKCKEEGIDE PLHIKRRKVI KPGFIHSPWK SAYIRQHRID DATA SEQUENCE TNWRRGELKS PKVLKGHDDH VITCLQFCGN RIVSGSDDNT LKVWSAVTGK DATA SEQUENCE CLRTLVGHTG GVWSSQMRDN IIISGSTDRT LKVWNAETGE CIHTLYGHTS DATA SEQUENCE TVRCMHLHEK RVVSGSRDAT LRVWDIETGQ CLHVLMGHVA AVRCVQYDGR DATA SEQUENCE RVVSGAYDFM VKVWDPETET CLHTLQGHTN RVYSLQFDGI HVVSGSLDTS DATA SEQUENCE IRVWDVETGN CIHTLTGHQS LTSGMELKDN ILVSGNADST VKIWDIKTGQ DATA SEQUENCE CLQTLQGPNK HQSAVTCLQF NKNFVITSSD DGTVKLWDLK TGEFIRNLVT DATA SEQUENCE LESGGSGGVV WRIRASNTKL VCAVGSRNGT EETKLLVLDF DVDM 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 2263 T HA 0.000 nan 4.350 nan 0.000 0.228 2263 T C 0.000 174.724 174.700 0.039 0.000 1.109 2263 T CA 0.000 62.128 62.100 0.046 0.000 1.349 2263 T CB 0.000 68.896 68.868 0.047 0.000 0.612 2264 Q N -0.370 119.463 119.800 0.054 0.000 2.384 2264 Q HA -0.262 4.079 4.340 0.001 0.000 0.179 2264 Q C 1.255 177.246 176.000 -0.015 0.000 2.853 2264 Q CA 2.591 58.398 55.803 0.007 0.000 0.358 2264 Q CB -1.632 27.103 28.738 -0.005 0.000 0.345 2264 Q HN 0.598 nan 8.270 nan 0.000 0.478 2265 V N 0.857 120.760 119.914 -0.019 0.000 2.788 2265 V HA -0.094 4.027 4.120 0.001 0.000 0.251 2265 V C 2.284 178.355 176.094 -0.039 0.000 1.068 2265 V CA 1.968 64.231 62.300 -0.060 0.000 1.090 2265 V CB -0.309 31.478 31.823 -0.061 0.000 0.710 2265 V HN 0.253 nan 8.190 nan 0.000 0.467 2266 K N -0.762 119.641 120.400 0.005 0.000 2.031 2266 K HA -0.133 4.188 4.320 0.001 0.000 0.205 2266 K C 2.309 178.925 176.600 0.026 0.000 1.049 2266 K CA 1.146 57.441 56.287 0.013 0.000 0.939 2266 K CB -0.328 32.185 32.500 0.021 0.000 0.717 2266 K HN 0.388 nan 8.250 nan 0.000 0.438 2267 H N 0.557 119.604 119.070 -0.039 0.000 2.460 2267 H HA -0.073 4.484 4.556 0.001 0.000 0.297 2267 H C 1.808 177.101 175.328 -0.058 0.000 1.103 2267 H CA 1.330 57.355 56.048 -0.039 0.000 1.292 2267 H CB 0.293 30.032 29.762 -0.038 0.000 1.376 2267 H HN 0.118 nan 8.280 nan 0.000 0.531 2268 M N -0.717 118.925 119.600 0.070 0.000 2.236 2268 M HA -0.103 4.378 4.480 0.001 0.000 0.266 2268 M C 2.291 178.580 176.300 -0.018 0.000 1.070 2268 M CA 0.706 55.990 55.300 -0.026 0.000 1.137 2268 M CB -0.424 32.071 32.600 -0.175 0.000 1.378 2268 M HN 0.247 nan 8.290 nan 0.000 0.426 2269 M N -0.019 119.573 119.600 -0.014 0.000 2.175 2269 M HA -0.170 4.311 4.480 0.001 0.000 0.264 2269 M C 1.580 177.901 176.300 0.035 0.000 1.063 2269 M CA 1.465 56.782 55.300 0.028 0.000 1.119 2269 M CB -1.207 31.423 32.600 0.049 0.000 1.377 2269 M HN 0.360 nan 8.290 nan 0.000 0.415 2270 Q N -0.391 119.408 119.800 -0.002 0.000 2.415 2270 Q HA 0.055 4.396 4.340 0.001 0.000 0.206 2270 Q C 1.546 177.529 176.000 -0.027 0.000 0.946 2270 Q CA 0.226 56.015 55.803 -0.024 0.000 0.951 2270 Q CB 0.383 29.076 28.738 -0.075 0.000 1.026 2270 Q HN 0.342 nan 8.270 nan 0.000 0.510 2271 V N -1.033 118.882 119.914 0.002 0.000 3.371 2271 V HA 0.028 4.149 4.120 0.001 0.000 0.246 2271 V C 1.530 177.649 176.094 0.042 0.000 1.303 2271 V CA 0.332 62.645 62.300 0.021 0.000 1.156 2271 V CB 0.410 32.266 31.823 0.055 0.000 0.929 2271 V HN 0.246 nan 8.190 nan 0.000 0.459 2272 I N -0.674 119.926 120.570 0.049 0.000 2.867 2272 I HA 0.121 4.292 4.170 0.001 0.000 0.265 2272 I C 0.501 176.665 176.117 0.078 0.000 1.162 2272 I CA 0.409 61.750 61.300 0.069 0.000 1.471 2272 I CB 0.247 38.295 38.000 0.080 0.000 1.123 2272 I HN 0.210 nan 8.210 nan 0.000 0.440 2273 E N 0.654 120.901 120.200 0.079 0.000 2.257 2273 E HA -0.154 4.197 4.350 0.001 0.000 0.217 2273 E C -2.174 174.496 176.600 0.118 0.000 1.248 2273 E CA 0.146 56.599 56.400 0.089 0.000 0.691 2273 E CB -1.456 28.283 29.700 0.066 0.000 1.185 2273 E HN 0.300 nan 8.360 nan 0.000 0.377 2274 P HA 0.177 nan 4.420 nan 0.000 0.266 2274 P C -0.200 177.202 177.300 0.169 0.000 1.586 2274 P CA 0.203 63.421 63.100 0.197 0.000 1.088 2274 P CB 0.563 32.446 31.700 0.304 0.000 1.584 2275 Q N 1.579 121.460 119.800 0.135 0.000 2.248 2275 Q HA 0.578 4.919 4.340 0.001 0.000 0.263 2275 Q C -0.669 175.446 176.000 0.192 0.000 1.007 2275 Q CA -0.844 55.036 55.803 0.128 0.000 0.877 2275 Q CB 1.002 29.812 28.738 0.120 0.000 1.315 2275 Q HN 0.289 nan 8.270 nan 0.000 0.454 2276 F N 1.604 121.543 119.950 -0.019 0.000 2.266 2276 F HA -0.223 4.304 4.527 0.000 0.000 0.394 2276 F C -1.681 174.102 175.800 -0.028 0.000 1.147 2276 F CA 0.360 58.346 58.000 -0.024 0.000 1.314 2276 F CB -0.268 38.727 39.000 -0.008 0.000 1.961 2276 F HN 0.439 nan 8.300 nan 0.000 0.768 2277 Q N 5.338 124.858 119.800 -0.467 0.000 2.321 2277 Q HA 0.439 4.779 4.340 0.001 0.000 0.270 2277 Q C 0.233 175.950 176.000 -0.471 0.000 1.032 2277 Q CA -0.714 54.820 55.803 -0.448 0.000 0.784 2277 Q CB 1.784 30.371 28.738 -0.253 0.000 1.264 2277 Q HN 0.700 nan 8.270 nan 0.000 0.448 2278 R N 1.251 121.473 120.500 -0.463 0.000 3.351 2278 R HA 0.155 4.496 4.340 0.001 0.000 0.296 2278 R C -0.498 175.728 176.300 -0.123 0.000 1.427 2278 R CA -0.118 55.802 56.100 -0.301 0.000 1.257 2278 R CB -0.249 29.881 30.300 -0.284 0.000 1.378 2278 R HN 0.503 nan 8.270 nan 0.000 0.610 2279 D N -2.239 118.125 120.400 -0.061 0.000 2.419 2279 D HA 0.073 4.713 4.640 0.001 0.000 0.234 2279 D C 0.329 176.725 176.300 0.160 0.000 1.014 2279 D CA -0.923 53.134 54.000 0.095 0.000 0.919 2279 D CB 0.744 41.664 40.800 0.199 0.000 1.366 2279 D HN -0.072 nan 8.370 nan 0.000 0.490 2280 F N 0.850 120.858 119.950 0.096 0.000 2.065 2280 F HA -0.215 4.312 4.527 0.000 0.000 0.298 2280 F C 1.919 177.755 175.800 0.060 0.000 1.112 2280 F CA 2.072 60.116 58.000 0.073 0.000 1.212 2280 F CB -0.038 39.014 39.000 0.086 0.000 0.975 2280 F HN 0.579 nan 8.300 nan 0.000 0.476 2281 I N -2.414 118.439 120.570 0.472 0.000 2.617 2281 I HA -0.111 4.060 4.170 0.001 0.000 0.256 2281 I C 2.012 178.219 176.117 0.150 0.000 1.167 2281 I CA 1.481 62.913 61.300 0.221 0.000 1.469 2281 I CB -0.558 37.335 38.000 -0.178 0.000 1.098 2281 I HN -0.051 nan 8.210 nan 0.000 0.436 2282 S N 1.394 117.180 115.700 0.143 0.000 2.447 2282 S HA 0.113 4.584 4.470 0.001 0.000 0.233 2282 S C 1.831 176.310 174.600 -0.201 0.000 1.006 2282 S CA 1.133 59.220 58.200 -0.188 0.000 0.957 2282 S CB -0.294 62.681 63.200 -0.376 0.000 0.773 2282 S HN 0.486 nan 8.310 nan 0.000 0.507 2283 L N 0.423 121.598 121.223 -0.081 0.000 2.477 2283 L HA 0.269 4.610 4.340 0.001 0.000 0.220 2283 L C 0.420 177.257 176.870 -0.055 0.000 1.106 2283 L CA 0.069 54.852 54.840 -0.094 0.000 0.851 2283 L CB -0.182 41.799 42.059 -0.130 0.000 0.994 2283 L HN 0.168 nan 8.230 nan 0.000 0.462 2284 L N 0.831 122.050 121.223 -0.007 0.000 2.439 2284 L HA 0.179 4.520 4.340 0.001 0.000 0.269 2284 L C -1.890 175.005 176.870 0.042 0.000 1.179 2284 L CA -1.804 53.046 54.840 0.017 0.000 0.828 2284 L CB 0.101 42.215 42.059 0.093 0.000 1.106 2284 L HN -0.216 nan 8.230 nan 0.000 0.467 2285 P HA -0.007 nan 4.420 nan 0.000 0.266 2285 P C 0.096 177.427 177.300 0.050 0.000 1.195 2285 P CA -0.215 62.904 63.100 0.032 0.000 0.768 2285 P CB 0.456 32.164 31.700 0.012 0.000 0.838 2286 K N 2.945 123.380 120.400 0.059 0.000 2.030 2286 K HA -0.260 4.060 4.320 0.001 0.000 0.222 2286 K C 1.584 178.203 176.600 0.032 0.000 1.056 2286 K CA 1.995 58.311 56.287 0.049 0.000 0.957 2286 K CB -0.693 31.826 32.500 0.032 0.000 0.727 2286 K HN 0.587 nan 8.250 nan 0.000 0.452 2287 E N 0.619 120.836 120.200 0.028 0.000 2.065 2287 E HA -0.192 4.159 4.350 0.001 0.000 0.201 2287 E C 2.243 178.880 176.600 0.062 0.000 1.016 2287 E CA 1.263 57.683 56.400 0.034 0.000 0.818 2287 E CB -0.295 29.415 29.700 0.016 0.000 0.749 2287 E HN 0.281 nan 8.360 nan 0.000 0.453 2288 L N 0.365 121.617 121.223 0.049 0.000 2.191 2288 L HA -0.151 4.190 4.340 0.001 0.000 0.212 2288 L C 2.532 179.473 176.870 0.118 0.000 1.103 2288 L CA 0.716 55.602 54.840 0.077 0.000 0.769 2288 L CB -0.478 41.607 42.059 0.044 0.000 0.908 2288 L HN 0.134 nan 8.230 nan 0.000 0.438 2289 A N 0.032 122.896 122.820 0.073 0.000 1.929 2289 A HA -0.084 4.236 4.320 0.001 0.000 0.216 2289 A C 2.235 179.821 177.584 0.003 0.000 1.176 2289 A CA 0.989 53.042 52.037 0.026 0.000 0.628 2289 A CB -0.395 18.603 19.000 -0.004 0.000 0.816 2289 A HN 0.338 nan 8.150 nan 0.000 0.444 2290 L N -2.228 119.010 121.223 0.025 0.000 2.156 2290 L HA -0.141 4.200 4.340 0.001 0.000 0.208 2290 L C 2.530 179.433 176.870 0.054 0.000 1.095 2290 L CA 1.356 56.198 54.840 0.003 0.000 0.770 2290 L CB -0.528 41.532 42.059 0.002 0.000 0.914 2290 L HN 0.568 nan 8.230 nan 0.000 0.439 2291 Y N 0.235 120.536 120.300 0.001 0.000 2.181 2291 Y HA -0.231 4.319 4.550 0.001 0.000 0.288 2291 Y C 2.376 178.385 175.900 0.183 0.000 1.146 2291 Y CA 1.489 59.625 58.100 0.059 0.000 1.164 2291 Y CB -0.127 38.385 38.460 0.087 0.000 0.982 2291 Y HN -0.166 nan 8.280 nan 0.000 0.515 2292 V N 0.153 120.221 119.914 0.257 0.000 2.270 2292 V HA -0.318 3.803 4.120 0.001 0.000 0.245 2292 V C 2.379 178.535 176.094 0.103 0.000 1.043 2292 V CA 1.973 64.373 62.300 0.166 0.000 1.014 2292 V CB -0.756 31.081 31.823 0.023 0.000 0.645 2292 V HN 0.404 nan 8.190 nan 0.000 0.447 2293 L N 1.017 122.225 121.223 -0.026 0.000 2.261 2293 L HA -0.163 4.178 4.340 0.001 0.000 0.216 2293 L C 2.643 179.436 176.870 -0.129 0.000 1.114 2293 L CA 1.638 56.419 54.840 -0.098 0.000 0.777 2293 L CB -0.675 41.290 42.059 -0.157 0.000 0.910 2293 L HN 0.586 nan 8.230 nan 0.000 0.440 2294 S N -0.480 115.127 115.700 -0.154 0.000 2.423 2294 S HA -0.143 4.327 4.470 0.001 0.000 0.231 2294 S C 1.627 176.013 174.600 -0.358 0.000 1.014 2294 S CA 0.734 58.740 58.200 -0.323 0.000 0.965 2294 S CB -0.643 62.295 63.200 -0.437 0.000 0.785 2294 S HN 0.342 nan 8.310 nan 0.000 0.495 2295 F N 1.861 121.660 119.950 -0.252 0.000 2.771 2295 F HA 0.385 4.913 4.527 0.001 0.000 0.299 2295 F C 0.986 176.687 175.800 -0.166 0.000 1.177 2295 F CA 0.001 57.878 58.000 -0.205 0.000 1.450 2295 F CB -0.360 38.535 39.000 -0.176 0.000 1.114 2295 F HN 0.139 nan 8.300 nan 0.000 0.587 2296 L N -0.060 121.141 121.223 -0.038 0.000 2.399 2296 L HA 0.271 4.612 4.340 0.001 0.000 0.265 2296 L C 0.466 177.256 176.870 -0.132 0.000 1.089 2296 L CA -0.877 53.925 54.840 -0.062 0.000 0.802 2296 L CB 0.671 42.693 42.059 -0.062 0.000 1.180 2296 L HN -0.151 nan 8.230 nan 0.000 0.454 2297 E N 1.463 121.609 120.200 -0.091 0.000 2.283 2297 E HA 0.202 4.553 4.350 0.001 0.000 0.271 2297 E C -1.748 174.779 176.600 -0.123 0.000 1.031 2297 E CA -1.861 54.478 56.400 -0.101 0.000 0.868 2297 E CB 1.193 30.874 29.700 -0.032 0.000 1.094 2297 E HN 0.274 nan 8.360 nan 0.000 0.401 2298 P HA -0.242 nan 4.420 nan 0.000 0.218 2298 P C 1.255 178.579 177.300 0.040 0.000 1.154 2298 P CA 1.898 64.913 63.100 -0.143 0.000 0.872 2298 P CB 0.266 31.839 31.700 -0.212 0.000 0.790 2299 K N -0.636 119.795 120.400 0.052 0.000 2.152 2299 K HA -0.194 4.126 4.320 0.001 0.000 0.206 2299 K C 1.408 178.043 176.600 0.058 0.000 1.048 2299 K CA 1.763 58.087 56.287 0.062 0.000 0.933 2299 K CB -0.316 32.222 32.500 0.064 0.000 0.721 2299 K HN 0.093 nan 8.250 nan 0.000 0.447 2300 D N 0.537 120.960 120.400 0.039 0.000 2.144 2300 D HA -0.105 4.535 4.640 0.001 0.000 0.207 2300 D C 1.958 178.304 176.300 0.076 0.000 0.970 2300 D CA 0.544 54.574 54.000 0.050 0.000 0.853 2300 D CB -0.098 40.718 40.800 0.028 0.000 1.007 2300 D HN 0.111 nan 8.370 nan 0.000 0.469 2301 L N 1.068 122.314 121.223 0.039 0.000 2.137 2301 L HA -0.157 4.183 4.340 0.001 0.000 0.213 2301 L C 2.447 179.444 176.870 0.211 0.000 1.085 2301 L CA 1.089 55.979 54.840 0.083 0.000 0.760 2301 L CB -1.145 40.877 42.059 -0.062 0.000 0.893 2301 L HN 0.127 nan 8.230 nan 0.000 0.434 2302 L N -1.459 119.883 121.223 0.200 0.000 2.240 2302 L HA -0.146 4.194 4.340 0.001 0.000 0.211 2302 L C 2.654 179.601 176.870 0.129 0.000 1.106 2302 L CA 0.601 55.546 54.840 0.174 0.000 0.793 2302 L CB -0.317 41.816 42.059 0.123 0.000 0.927 2302 L HN 0.309 nan 8.230 nan 0.000 0.446 2303 Q N -0.056 119.814 119.800 0.116 0.000 2.089 2303 Q HA -0.010 4.331 4.340 0.001 0.000 0.195 2303 Q C 2.473 178.551 176.000 0.129 0.000 0.963 2303 Q CA 1.436 57.296 55.803 0.095 0.000 0.834 2303 Q CB -0.249 28.534 28.738 0.074 0.000 0.906 2303 Q HN 0.442 nan 8.270 nan 0.000 0.452 2304 A N 1.268 124.206 122.820 0.197 0.000 1.978 2304 A HA -0.118 4.203 4.320 0.001 0.000 0.220 2304 A C 2.216 180.031 177.584 0.386 0.000 1.170 2304 A CA 1.807 54.059 52.037 0.358 0.000 0.636 2304 A CB -0.553 18.708 19.000 0.434 0.000 0.810 2304 A HN 0.340 nan 8.150 nan 0.000 0.448 2305 A N -1.100 121.885 122.820 0.275 0.000 2.121 2305 A HA -0.085 4.236 4.320 0.001 0.000 0.218 2305 A C 1.857 179.549 177.584 0.179 0.000 1.154 2305 A CA 1.290 53.479 52.037 0.254 0.000 0.679 2305 A CB -0.316 18.816 19.000 0.220 0.000 0.795 2305 A HN 0.674 nan 8.150 nan 0.000 0.458 2306 Q N -1.219 118.653 119.800 0.121 0.000 2.319 2306 Q HA 0.045 4.386 4.340 0.001 0.000 0.202 2306 Q C 1.360 177.367 176.000 0.012 0.000 0.896 2306 Q CA 0.475 56.313 55.803 0.058 0.000 0.942 2306 Q CB 0.182 28.942 28.738 0.035 0.000 1.083 2306 Q HN 0.586 nan 8.270 nan 0.000 0.510 2307 T N 0.407 114.955 114.554 -0.011 0.000 2.643 2307 T HA -0.110 4.241 4.350 0.001 0.000 0.264 2307 T C 1.049 175.659 174.700 -0.151 0.000 1.045 2307 T CA 1.305 63.285 62.100 -0.199 0.000 1.155 2307 T CB -0.063 68.456 68.868 -0.583 0.000 0.863 2307 T HN 0.574 nan 8.240 nan 0.000 0.420 2308 C N -0.822 118.460 119.300 -0.030 0.000 3.306 2308 C HA 0.580 5.041 4.460 0.001 0.000 0.335 2308 C C 1.264 176.370 174.990 0.194 0.000 1.382 2308 C CA -1.548 57.501 59.018 0.051 0.000 1.254 2308 C CB 1.295 29.039 27.740 0.007 0.000 1.555 2308 C HN 0.385 nan 8.230 nan 0.000 0.463 2309 R N -0.542 120.074 120.500 0.192 0.000 2.103 2309 R HA -0.165 4.175 4.340 0.001 0.000 0.242 2309 R C 1.698 178.171 176.300 0.289 0.000 1.142 2309 R CA 2.512 58.751 56.100 0.233 0.000 0.960 2309 R CB -0.572 29.849 30.300 0.201 0.000 0.858 2309 R HN 0.832 nan 8.270 nan 0.000 0.439 2310 Y N 0.299 120.735 120.300 0.226 0.000 2.089 2310 Y HA -0.284 4.267 4.550 0.001 0.000 0.282 2310 Y C 1.953 178.035 175.900 0.305 0.000 1.139 2310 Y CA 1.499 59.744 58.100 0.241 0.000 1.123 2310 Y CB -0.375 38.240 38.460 0.258 0.000 0.980 2310 Y HN 0.014 nan 8.280 nan 0.000 0.493 2311 W N 0.762 122.178 121.300 0.193 0.000 2.317 2311 W HA -0.214 4.448 4.660 0.003 0.000 0.318 2311 W C 2.849 179.414 176.519 0.077 0.000 1.227 2311 W CA 2.272 59.688 57.345 0.118 0.000 1.269 2311 W CB -1.106 28.438 29.460 0.140 0.000 1.155 2311 W HN 0.025 nan 8.180 nan 0.000 0.484 2312 R N 0.475 121.192 120.500 0.363 0.000 2.112 2312 R HA -0.237 4.104 4.340 0.001 0.000 0.242 2312 R C 2.060 178.541 176.300 0.303 0.000 1.137 2312 R CA 2.597 58.886 56.100 0.315 0.000 0.944 2312 R CB -0.896 29.585 30.300 0.301 0.000 0.857 2312 R HN 0.204 nan 8.270 nan 0.000 0.435 2313 I N 0.811 121.489 120.570 0.180 0.000 2.264 2313 I HA -0.320 3.851 4.170 0.001 0.000 0.248 2313 I C 2.331 178.402 176.117 -0.077 0.000 1.111 2313 I CA 1.169 62.450 61.300 -0.032 0.000 1.382 2313 I CB -0.262 37.639 38.000 -0.165 0.000 1.060 2313 I HN 0.292 nan 8.210 nan 0.000 0.418 2314 L N 0.564 121.715 121.223 -0.120 0.000 2.005 2314 L HA -0.156 4.185 4.340 0.001 0.000 0.207 2314 L C 2.821 179.685 176.870 -0.009 0.000 1.072 2314 L CA 1.315 56.075 54.840 -0.134 0.000 0.744 2314 L CB -0.696 41.222 42.059 -0.236 0.000 0.895 2314 L HN 0.216 nan 8.230 nan 0.000 0.433 2315 A N -0.828 122.037 122.820 0.074 0.000 2.131 2315 A HA -0.174 4.146 4.320 0.001 0.000 0.220 2315 A C 1.850 179.646 177.584 0.353 0.000 1.158 2315 A CA 1.297 53.442 52.037 0.181 0.000 0.665 2315 A CB -0.325 18.823 19.000 0.247 0.000 0.795 2315 A HN 0.366 nan 8.150 nan 0.000 0.460 2316 E N 0.347 120.711 120.200 0.273 0.000 2.437 2316 E HA -0.008 4.343 4.350 0.001 0.000 0.189 2316 E C -0.531 176.213 176.600 0.240 0.000 1.054 2316 E CA -0.120 56.460 56.400 0.300 0.000 0.874 2316 E CB -0.253 29.590 29.700 0.239 0.000 1.011 2316 E HN 0.653 nan 8.360 nan 0.000 0.474 2317 D N 1.235 121.749 120.400 0.191 0.000 2.389 2317 D HA -0.062 4.579 4.640 0.001 0.000 0.263 2317 D C 1.119 177.557 176.300 0.229 0.000 1.255 2317 D CA 0.289 54.365 54.000 0.128 0.000 0.914 2317 D CB 0.100 40.924 40.800 0.039 0.000 1.116 2317 D HN -0.012 nan 8.370 nan 0.000 0.502 2318 N N 3.072 121.904 118.700 0.220 0.000 2.069 2318 N HA -0.221 4.519 4.740 0.001 0.000 0.196 2318 N C 1.562 177.229 175.510 0.261 0.000 1.024 2318 N CA 1.013 54.245 53.050 0.303 0.000 0.869 2318 N CB 0.025 38.671 38.487 0.265 0.000 1.035 2318 N HN 0.523 nan 8.380 nan 0.000 0.434 2319 L N 0.614 121.909 121.223 0.120 0.000 2.362 2319 L HA -0.120 4.221 4.340 0.001 0.000 0.219 2319 L C 2.298 179.121 176.870 -0.079 0.000 1.134 2319 L CA 0.130 54.969 54.840 -0.002 0.000 0.807 2319 L CB -0.216 41.835 42.059 -0.014 0.000 0.927 2319 L HN 0.301 nan 8.230 nan 0.000 0.447 2320 L N -1.190 119.991 121.223 -0.070 0.000 2.156 2320 L HA -0.099 4.241 4.340 0.001 0.000 0.208 2320 L C 1.929 178.578 176.870 -0.369 0.000 1.095 2320 L CA 1.725 56.413 54.840 -0.252 0.000 0.770 2320 L CB -0.332 41.536 42.059 -0.318 0.000 0.914 2320 L HN 0.147 nan 8.230 nan 0.000 0.439 2321 W N -0.381 120.875 121.300 -0.074 0.000 2.539 2321 W HA 0.093 4.754 4.660 0.001 0.000 0.281 2321 W C 2.738 179.179 176.519 -0.129 0.000 1.220 2321 W CA 0.775 58.089 57.345 -0.052 0.000 1.332 2321 W CB -0.214 29.297 29.460 0.084 0.000 1.095 2321 W HN 0.008 nan 8.180 nan 0.000 0.571 2322 R N 1.390 121.797 120.500 -0.155 0.000 2.117 2322 R HA -0.251 4.090 4.340 0.001 0.000 0.243 2322 R C 1.840 177.809 176.300 -0.551 0.000 1.143 2322 R CA 2.147 57.693 56.100 -0.923 0.000 0.968 2322 R CB -0.417 29.163 30.300 -1.200 0.000 0.863 2322 R HN 0.257 nan 8.270 nan 0.000 0.444 2323 E N -0.347 119.658 120.200 -0.325 0.000 2.299 2323 E HA -0.083 4.268 4.350 0.001 0.000 0.193 2323 E C 1.139 177.635 176.600 -0.173 0.000 0.998 2323 E CA 0.473 56.724 56.400 -0.248 0.000 0.851 2323 E CB 0.346 29.906 29.700 -0.234 0.000 0.795 2323 E HN 0.125 nan 8.360 nan 0.000 0.492 2324 K N -0.215 120.100 120.400 -0.142 0.000 2.365 2324 K HA 0.025 4.346 4.320 0.001 0.000 0.197 2324 K C 1.765 178.465 176.600 0.167 0.000 1.042 2324 K CA 0.298 56.540 56.287 -0.076 0.000 0.987 2324 K CB -0.194 32.140 32.500 -0.277 0.000 0.779 2324 K HN 0.222 nan 8.250 nan 0.000 0.484 2325 C N 0.602 120.016 119.300 0.189 0.000 2.485 2325 C HA 0.102 4.563 4.460 0.001 0.000 0.278 2325 C C 2.529 177.603 174.990 0.140 0.000 1.356 2325 C CA 0.121 59.319 59.018 0.301 0.000 1.747 2325 C CB -0.181 27.800 27.740 0.402 0.000 2.001 2325 C HN 0.458 nan 8.230 nan 0.000 0.501 2326 K N 0.925 121.325 120.400 -0.000 0.000 2.283 2326 K HA -0.167 4.154 4.320 0.001 0.000 0.202 2326 K C 1.872 178.478 176.600 0.010 0.000 1.048 2326 K CA 1.164 57.437 56.287 -0.023 0.000 0.948 2326 K CB -0.024 32.419 32.500 -0.096 0.000 0.742 2326 K HN 0.421 nan 8.250 nan 0.000 0.458 2327 E N 0.997 121.214 120.200 0.028 0.000 2.031 2327 E HA -0.160 4.191 4.350 0.001 0.000 0.193 2327 E C 1.141 177.782 176.600 0.068 0.000 0.994 2327 E CA 1.379 57.801 56.400 0.037 0.000 0.800 2327 E CB 0.194 29.923 29.700 0.047 0.000 0.752 2327 E HN 0.150 nan 8.360 nan 0.000 0.447 2328 E N -0.558 119.715 120.200 0.122 0.000 2.465 2328 E HA 0.125 4.476 4.350 0.001 0.000 0.191 2328 E C 0.069 176.703 176.600 0.056 0.000 1.053 2328 E CA 0.584 57.035 56.400 0.085 0.000 0.869 2328 E CB 0.346 30.098 29.700 0.087 0.000 0.977 2328 E HN 0.368 nan 8.360 nan 0.000 0.483 2329 G N 2.473 111.311 108.800 0.064 0.000 2.415 2329 G HA2 -0.215 3.746 3.960 0.001 0.000 0.283 2329 G HA3 -0.215 3.746 3.960 0.001 0.000 0.283 2329 G C 0.642 175.591 174.900 0.082 0.000 1.014 2329 G CA 0.115 45.248 45.100 0.056 0.000 1.323 2329 G HN 0.217 nan 8.290 nan 0.000 0.502 2330 I N 0.161 120.815 120.570 0.140 0.000 2.947 2330 I HA 0.080 4.251 4.170 0.001 0.000 0.263 2330 I C 1.788 178.042 176.117 0.228 0.000 1.130 2330 I CA 1.393 62.806 61.300 0.189 0.000 1.448 2330 I CB -0.887 37.288 38.000 0.291 0.000 1.222 2330 I HN 0.488 nan 8.210 nan 0.000 0.453 2331 D N 0.282 120.861 120.400 0.300 0.000 2.673 2331 D HA -0.248 4.392 4.640 0.001 0.000 0.186 2331 D C 0.518 177.072 176.300 0.424 0.000 1.079 2331 D CA 1.595 55.783 54.000 0.314 0.000 1.050 2331 D CB -0.673 40.226 40.800 0.165 0.000 1.118 2331 D HN 0.360 nan 8.370 nan 0.000 0.426 2332 E N 0.823 121.202 120.200 0.298 0.000 2.244 2332 E HA 0.383 4.734 4.350 0.001 0.000 0.260 2332 E C -2.584 173.851 176.600 -0.275 0.000 0.884 2332 E CA -1.660 54.751 56.400 0.018 0.000 0.777 2332 E CB 2.203 31.912 29.700 0.015 0.000 1.197 2332 E HN -0.073 nan 8.360 nan 0.000 0.416 2333 P HA 0.256 nan 4.420 nan 0.000 0.286 2333 P C -1.067 175.869 177.300 -0.608 0.000 1.261 2333 P CA -0.802 61.672 63.100 -1.045 0.000 0.821 2333 P CB 0.824 31.304 31.700 -2.034 0.000 1.013 2334 L N 0.948 121.894 121.223 -0.462 0.000 2.295 2334 L HA 0.525 4.866 4.340 0.001 0.000 0.285 2334 L C -0.098 176.531 176.870 -0.400 0.000 1.035 2334 L CA -0.150 54.502 54.840 -0.313 0.000 0.806 2334 L CB 0.112 42.072 42.059 -0.163 0.000 1.214 2334 L HN 0.320 nan 8.230 nan 0.000 0.426 2335 H N 5.080 124.073 119.070 -0.128 0.000 2.661 2335 H HA 0.444 5.001 4.556 0.001 0.000 0.290 2335 H C 0.331 175.618 175.328 -0.069 0.000 1.082 2335 H CA -0.330 55.660 56.048 -0.096 0.000 1.234 2335 H CB 1.378 31.087 29.762 -0.087 0.000 1.387 2335 H HN 0.897 nan 8.280 nan 0.000 0.476 2336 I N -0.483 120.089 120.570 0.003 0.000 3.503 2336 I HA 0.248 4.418 4.170 0.001 0.000 0.240 2336 I C 0.794 176.910 176.117 -0.001 0.000 1.315 2336 I CA -1.004 60.286 61.300 -0.015 0.000 0.759 2336 I CB 0.521 38.483 38.000 -0.062 0.000 1.733 2336 I HN 0.156 nan 8.210 nan 0.000 0.854 2337 K N 1.753 122.141 120.400 -0.019 0.000 2.437 2337 K HA 0.034 4.355 4.320 0.001 0.000 0.277 2337 K C -0.032 176.567 176.600 -0.000 0.000 1.073 2337 K CA 0.170 56.450 56.287 -0.012 0.000 1.105 2337 K CB 0.368 32.854 32.500 -0.024 0.000 0.881 2337 K HN 0.547 nan 8.250 nan 0.000 0.475 2338 R N 2.995 123.499 120.500 0.007 0.000 2.668 2338 R HA 0.391 4.731 4.340 0.001 0.000 0.268 2338 R C -0.231 176.078 176.300 0.015 0.000 1.232 2338 R CA -0.148 55.962 56.100 0.016 0.000 1.166 2338 R CB 0.538 30.845 30.300 0.012 0.000 1.179 2338 R HN 0.801 nan 8.270 nan 0.000 0.606 2339 R N -0.446 120.066 120.500 0.020 0.000 5.540 2339 R HA -0.120 4.221 4.340 0.001 0.000 0.196 2339 R C -1.301 175.014 176.300 0.025 0.000 0.842 2339 R CA -0.584 55.528 56.100 0.020 0.000 1.129 2339 R CB -0.437 29.870 30.300 0.013 0.000 1.369 2339 R HN 0.469 nan 8.270 nan 0.000 0.595 2340 K N 2.339 122.752 120.400 0.021 0.000 2.255 2340 K HA -0.064 4.257 4.320 0.001 0.000 0.245 2340 K C 0.253 176.870 176.600 0.030 0.000 1.352 2340 K CA 1.078 57.379 56.287 0.023 0.000 1.315 2340 K CB -0.937 31.574 32.500 0.018 0.000 0.732 2340 K HN 0.455 nan 8.250 nan 0.000 0.526 2341 V N 2.594 122.530 119.914 0.038 0.000 3.230 2341 V HA 0.021 4.141 4.120 0.001 0.000 0.302 2341 V C 0.837 176.958 176.094 0.046 0.000 1.158 2341 V CA -0.640 61.690 62.300 0.050 0.000 1.279 2341 V CB 0.316 32.173 31.823 0.056 0.000 0.983 2341 V HN 0.586 nan 8.190 nan 0.000 0.506 2342 I N 2.554 123.156 120.570 0.054 0.000 2.713 2342 I HA 0.445 4.616 4.170 0.001 0.000 0.300 2342 I C 0.936 177.085 176.117 0.053 0.000 1.009 2342 I CA -0.361 60.967 61.300 0.046 0.000 1.305 2342 I CB 0.941 38.967 38.000 0.044 0.000 1.430 2342 I HN 0.931 nan 8.210 nan 0.000 0.546 2343 K N 4.790 125.218 120.400 0.047 0.000 2.608 2343 K HA -0.074 4.247 4.320 0.001 0.000 0.281 2343 K C -2.016 174.622 176.600 0.064 0.000 0.670 2343 K CA 0.814 57.131 56.287 0.049 0.000 0.845 2343 K CB -1.828 30.698 32.500 0.043 0.000 0.275 2343 K HN 0.497 nan 8.250 nan 0.000 1.060 2344 P HA -0.114 nan 4.420 nan 0.000 0.240 2344 P C -0.185 177.181 177.300 0.109 0.000 1.079 2344 P CA 0.873 64.023 63.100 0.084 0.000 0.839 2344 P CB -0.331 31.423 31.700 0.090 0.000 0.750 2345 G N 2.503 111.362 108.800 0.099 0.000 2.699 2345 G HA2 0.330 4.291 3.960 0.001 0.000 0.246 2345 G HA3 0.330 4.291 3.960 0.001 0.000 0.246 2345 G C -1.081 173.915 174.900 0.159 0.000 1.219 2345 G CA -0.117 45.050 45.100 0.112 0.000 0.866 2345 G HN 0.424 nan 8.290 nan 0.000 0.572 2346 F N -0.563 119.347 119.950 -0.066 0.000 2.604 2346 F HA 0.440 4.968 4.527 0.001 0.000 0.316 2346 F C -0.364 175.302 175.800 -0.223 0.000 1.136 2346 F CA -0.939 56.959 58.000 -0.168 0.000 0.989 2346 F CB 1.652 40.482 39.000 -0.282 0.000 1.258 2346 F HN 0.293 nan 8.300 nan 0.000 0.451 2347 I N 6.713 127.029 120.570 -0.423 0.000 2.269 2347 I HA 0.158 4.329 4.170 0.001 0.000 0.293 2347 I C 0.127 176.165 176.117 -0.132 0.000 1.106 2347 I CA -0.371 60.802 61.300 -0.211 0.000 1.248 2347 I CB -0.156 37.715 38.000 -0.215 0.000 1.444 2347 I HN 0.438 nan 8.210 nan 0.000 0.497 2348 H N 3.500 122.671 119.070 0.169 0.000 2.771 2348 H HA 0.052 4.609 4.556 0.001 0.000 0.364 2348 H C 0.357 175.730 175.328 0.075 0.000 1.133 2348 H CA 0.210 56.370 56.048 0.186 0.000 1.423 2348 H CB 1.386 31.224 29.762 0.126 0.000 1.425 2348 H HN 0.404 nan 8.280 nan 0.000 0.606 2349 S N 2.809 118.623 115.700 0.191 0.000 2.422 2349 S HA 0.165 4.636 4.470 0.001 0.000 0.298 2349 S C -1.657 172.946 174.600 0.004 0.000 1.118 2349 S CA -1.546 56.719 58.200 0.109 0.000 1.083 2349 S CB 0.904 64.186 63.200 0.137 0.000 0.971 2349 S HN 0.346 nan 8.310 nan 0.000 0.478 2350 P HA -0.027 nan 4.420 nan 0.000 0.215 2350 P C 0.535 177.640 177.300 -0.326 0.000 1.153 2350 P CA 1.142 64.022 63.100 -0.366 0.000 0.853 2350 P CB 0.013 31.267 31.700 -0.743 0.000 0.788 2351 W N 0.222 121.492 121.300 -0.049 0.000 2.388 2351 W HA -0.034 4.627 4.660 0.001 0.000 0.294 2351 W C 2.544 179.057 176.519 -0.010 0.000 1.212 2351 W CA 0.843 58.208 57.345 0.034 0.000 1.271 2351 W CB -0.468 29.081 29.460 0.147 0.000 1.126 2351 W HN -0.089 nan 8.180 nan 0.000 0.535 2352 K N 0.692 121.077 120.400 -0.024 0.000 2.025 2352 K HA -0.179 4.141 4.320 0.001 0.000 0.207 2352 K C 2.229 178.634 176.600 -0.325 0.000 1.049 2352 K CA 1.935 57.852 56.287 -0.617 0.000 0.933 2352 K CB -0.419 31.445 32.500 -1.061 0.000 0.714 2352 K HN 0.128 nan 8.250 nan 0.000 0.438 2353 S N 0.521 116.102 115.700 -0.199 0.000 2.399 2353 S HA -0.114 4.357 4.470 0.001 0.000 0.231 2353 S C 2.178 176.729 174.600 -0.081 0.000 1.022 2353 S CA 0.975 59.088 58.200 -0.146 0.000 0.983 2353 S CB -0.337 62.770 63.200 -0.155 0.000 0.803 2353 S HN 0.392 nan 8.310 nan 0.000 0.480 2354 A N 0.953 123.737 122.820 -0.061 0.000 1.902 2354 A HA -0.028 4.293 4.320 0.001 0.000 0.217 2354 A C 2.043 179.677 177.584 0.082 0.000 1.181 2354 A CA 1.463 53.493 52.037 -0.011 0.000 0.623 2354 A CB -1.213 17.774 19.000 -0.022 0.000 0.818 2354 A HN 0.637 nan 8.150 nan 0.000 0.443 2355 Y N 0.357 120.677 120.300 0.034 0.000 2.181 2355 Y HA -0.167 4.383 4.550 0.001 0.000 0.288 2355 Y C 2.019 177.949 175.900 0.050 0.000 1.146 2355 Y CA 1.886 60.038 58.100 0.087 0.000 1.164 2355 Y CB -0.167 38.374 38.460 0.136 0.000 0.982 2355 Y HN 0.264 nan 8.280 nan 0.000 0.515 2356 I N 0.037 120.697 120.570 0.149 0.000 2.315 2356 I HA -0.295 3.876 4.170 0.001 0.000 0.248 2356 I C 2.709 178.867 176.117 0.068 0.000 1.117 2356 I CA 1.410 62.774 61.300 0.106 0.000 1.404 2356 I CB -0.482 37.525 38.000 0.011 0.000 1.071 2356 I HN 0.197 nan 8.210 nan 0.000 0.419 2357 R N 0.914 121.426 120.500 0.021 0.000 2.094 2357 R HA -0.297 4.044 4.340 0.001 0.000 0.239 2357 R C 2.363 178.682 176.300 0.030 0.000 1.137 2357 R CA 2.199 58.310 56.100 0.018 0.000 0.943 2357 R CB -0.300 29.999 30.300 -0.003 0.000 0.850 2357 R HN 0.216 nan 8.270 nan 0.000 0.433 2358 Q N -0.133 119.665 119.800 -0.004 0.000 2.096 2358 Q HA -0.222 4.119 4.340 0.001 0.000 0.204 2358 Q C 1.907 177.902 176.000 -0.009 0.000 0.982 2358 Q CA 2.373 58.166 55.803 -0.017 0.000 0.850 2358 Q CB -0.464 28.222 28.738 -0.087 0.000 0.901 2358 Q HN 0.629 nan 8.270 nan 0.000 0.422 2359 H N -0.463 118.527 119.070 -0.133 0.000 2.353 2359 H HA -0.003 4.553 4.556 0.001 0.000 0.300 2359 H C 1.799 177.145 175.328 0.029 0.000 1.090 2359 H CA 1.979 57.987 56.048 -0.066 0.000 1.327 2359 H CB 0.162 29.901 29.762 -0.038 0.000 1.383 2359 H HN 0.175 nan 8.280 nan 0.000 0.508 2360 R N -0.260 120.278 120.500 0.062 0.000 2.092 2360 R HA -0.036 4.304 4.340 0.001 0.000 0.231 2360 R C 2.484 178.805 176.300 0.034 0.000 1.119 2360 R CA 1.448 57.567 56.100 0.032 0.000 0.970 2360 R CB -0.123 30.223 30.300 0.078 0.000 0.864 2360 R HN 0.393 nan 8.270 nan 0.000 0.440 2361 I N 1.097 121.714 120.570 0.078 0.000 2.142 2361 I HA -0.280 3.891 4.170 0.001 0.000 0.240 2361 I C 1.575 177.850 176.117 0.262 0.000 1.078 2361 I CA 1.324 62.726 61.300 0.170 0.000 1.343 2361 I CB -0.341 37.779 38.000 0.200 0.000 1.046 2361 I HN 0.100 nan 8.210 nan 0.000 0.405 2362 D N 0.491 121.000 120.400 0.182 0.000 2.133 2362 D HA -0.169 4.471 4.640 0.001 0.000 0.195 2362 D C 2.172 178.591 176.300 0.198 0.000 0.997 2362 D CA 1.680 55.827 54.000 0.245 0.000 0.840 2362 D CB -0.506 40.343 40.800 0.082 0.000 0.947 2362 D HN 0.265 nan 8.370 nan 0.000 0.452 2363 T N 0.560 115.115 114.554 0.001 0.000 2.867 2363 T HA -0.132 4.218 4.350 0.001 0.000 0.268 2363 T C 1.681 176.403 174.700 0.037 0.000 1.057 2363 T CA 0.953 63.037 62.100 -0.026 0.000 1.136 2363 T CB -0.167 68.617 68.868 -0.139 0.000 0.874 2363 T HN 0.062 nan 8.240 nan 0.000 0.466 2364 N N 0.118 118.861 118.700 0.072 0.000 2.084 2364 N HA -0.074 4.667 4.740 0.001 0.000 0.190 2364 N C 1.465 177.017 175.510 0.071 0.000 1.030 2364 N CA 1.233 54.333 53.050 0.084 0.000 0.849 2364 N CB -0.327 38.220 38.487 0.100 0.000 1.012 2364 N HN 0.500 nan 8.380 nan 0.000 0.423 2365 W N 1.430 122.599 121.300 -0.218 0.000 2.335 2365 W HA -0.029 4.632 4.660 0.001 0.000 0.311 2365 W C 2.810 178.994 176.519 -0.558 0.000 1.213 2365 W CA 1.378 58.277 57.345 -0.742 0.000 1.274 2365 W CB -0.430 28.444 29.460 -0.976 0.000 1.148 2365 W HN 0.089 nan 8.180 nan 0.000 0.498 2366 R N 0.818 121.249 120.500 -0.115 0.000 2.070 2366 R HA -0.161 4.180 4.340 0.001 0.000 0.233 2366 R C 1.822 178.076 176.300 -0.077 0.000 1.137 2366 R CA 2.291 58.335 56.100 -0.093 0.000 0.945 2366 R CB -0.211 30.149 30.300 0.100 0.000 0.845 2366 R HN 0.255 nan 8.270 nan 0.000 0.430 2367 R N -1.826 118.656 120.500 -0.030 0.000 2.527 2367 R HA 0.227 4.568 4.340 0.001 0.000 0.402 2367 R C 1.254 177.550 176.300 -0.008 0.000 0.933 2367 R CA 0.285 56.368 56.100 -0.028 0.000 1.171 2367 R CB 0.096 30.385 30.300 -0.018 0.000 1.612 2367 R HN 0.206 nan 8.270 nan 0.000 0.546 2368 G N 2.096 110.904 108.800 0.014 0.000 2.988 2368 G HA2 -0.315 3.645 3.960 0.001 0.000 0.204 2368 G HA3 -0.315 3.645 3.960 0.001 0.000 0.204 2368 G C 0.093 174.993 174.900 -0.001 0.000 1.378 2368 G CA 1.424 46.538 45.100 0.023 0.000 0.781 2368 G HN 0.468 nan 8.290 nan 0.000 0.738 2369 E N -1.275 118.921 120.200 -0.007 0.000 3.329 2369 E HA -0.001 4.350 4.350 0.001 0.000 0.337 2369 E C -1.008 175.550 176.600 -0.070 0.000 1.105 2369 E CA -0.724 55.655 56.400 -0.035 0.000 0.644 2369 E CB -0.347 29.328 29.700 -0.041 0.000 1.235 2369 E HN 0.143 nan 8.360 nan 0.000 0.483 2370 L N 4.033 125.217 121.223 -0.065 0.000 2.737 2370 L HA 0.009 4.350 4.340 0.001 0.000 0.275 2370 L C 0.571 177.348 176.870 -0.155 0.000 1.179 2370 L CA 1.275 56.043 54.840 -0.121 0.000 0.970 2370 L CB -0.962 41.050 42.059 -0.078 0.000 1.268 2370 L HN 0.392 nan 8.230 nan 0.000 0.485 2371 K N 2.144 122.405 120.400 -0.232 0.000 2.297 2371 K HA 0.244 4.565 4.320 0.001 0.000 0.286 2371 K C 0.443 176.926 176.600 -0.196 0.000 1.053 2371 K CA -0.410 55.757 56.287 -0.200 0.000 0.940 2371 K CB 0.632 32.992 32.500 -0.233 0.000 1.019 2371 K HN 0.633 nan 8.250 nan 0.000 0.475 2372 S N 3.975 119.590 115.700 -0.142 0.000 2.626 2372 S HA 0.014 4.484 4.470 0.001 0.000 0.303 2372 S C -1.524 172.988 174.600 -0.148 0.000 1.256 2372 S CA -1.163 56.961 58.200 -0.127 0.000 1.069 2372 S CB -0.613 62.529 63.200 -0.096 0.000 0.807 2372 S HN 0.490 nan 8.310 nan 0.000 0.500 2373 P HA 0.247 nan 4.420 nan 0.000 0.274 2373 P C -0.697 176.520 177.300 -0.137 0.000 1.231 2373 P CA -0.669 62.332 63.100 -0.166 0.000 0.790 2373 P CB 0.607 32.208 31.700 -0.165 0.000 0.951 2374 K N 0.846 121.161 120.400 -0.141 0.000 2.416 2374 K HA 0.244 4.564 4.320 0.001 0.000 0.283 2374 K C -0.313 176.205 176.600 -0.137 0.000 1.037 2374 K CA -0.331 55.884 56.287 -0.120 0.000 0.995 2374 K CB 0.351 32.784 32.500 -0.111 0.000 0.938 2374 K HN 0.212 nan 8.250 nan 0.000 0.475 2375 V N 5.787 125.632 119.914 -0.115 0.000 2.407 2375 V HA 0.238 4.359 4.120 0.001 0.000 0.278 2375 V C -0.095 175.915 176.094 -0.140 0.000 1.037 2375 V CA -0.720 61.504 62.300 -0.128 0.000 0.900 2375 V CB 0.876 32.645 31.823 -0.089 0.000 0.983 2375 V HN 0.555 nan 8.190 nan 0.000 0.459 2376 L N 4.533 125.608 121.223 -0.247 0.000 2.337 2376 L HA 0.537 4.878 4.340 0.001 0.000 0.269 2376 L C -0.127 176.583 176.870 -0.267 0.000 1.018 2376 L CA -0.757 53.877 54.840 -0.345 0.000 0.876 2376 L CB 0.879 42.378 42.059 -0.934 0.000 1.236 2376 L HN 0.478 nan 8.230 nan 0.000 0.436 2377 K N 2.060 122.452 120.400 -0.014 0.000 2.350 2377 K HA 0.666 4.987 4.320 0.001 0.000 0.279 2377 K C 0.336 177.061 176.600 0.207 0.000 1.027 2377 K CA 0.245 56.567 56.287 0.059 0.000 0.969 2377 K CB 1.375 33.910 32.500 0.059 0.000 0.954 2377 K HN 0.776 nan 8.250 nan 0.000 0.474 2378 G N 0.748 109.647 108.800 0.165 0.000 2.387 2378 G HA2 0.259 4.220 3.960 0.001 0.000 0.294 2378 G HA3 0.259 4.220 3.960 0.001 0.000 0.294 2378 G C -1.331 173.644 174.900 0.125 0.000 1.509 2378 G CA -0.802 44.384 45.100 0.144 0.000 0.806 2378 G HN 0.846 nan 8.290 nan 0.000 0.546 2379 H N -1.084 118.079 119.070 0.156 0.000 2.903 2379 H HA -0.152 4.405 4.556 0.001 0.000 0.285 2379 H C -0.160 175.277 175.328 0.181 0.000 1.231 2379 H CA 0.513 56.636 56.048 0.126 0.000 1.135 2379 H CB -1.064 28.767 29.762 0.115 0.000 1.328 2379 H HN 0.679 nan 8.280 nan 0.000 0.388 2380 D N 1.761 122.303 120.400 0.238 0.000 2.836 2380 D HA -0.098 4.543 4.640 0.001 0.000 0.220 2380 D C 0.802 177.236 176.300 0.223 0.000 1.094 2380 D CA 1.583 55.701 54.000 0.197 0.000 0.820 2380 D CB 0.320 41.202 40.800 0.138 0.000 1.171 2380 D HN 0.384 nan 8.370 nan 0.000 0.507 2381 D N 0.465 120.937 120.400 0.121 0.000 2.860 2381 D HA -0.236 4.405 4.640 0.001 0.000 0.229 2381 D C 0.107 176.309 176.300 -0.164 0.000 1.169 2381 D CA 1.080 55.080 54.000 0.000 0.000 0.737 2381 D CB -0.722 40.043 40.800 -0.058 0.000 1.080 2381 D HN 0.580 nan 8.370 nan 0.000 0.424 2382 H N -1.634 117.496 119.070 0.100 0.000 2.864 2382 H HA 0.567 5.123 4.556 0.001 0.000 0.354 2382 H C 0.139 175.456 175.328 -0.017 0.000 1.208 2382 H CA -0.641 55.423 56.048 0.026 0.000 1.191 2382 H CB 1.876 31.635 29.762 -0.005 0.000 1.889 2382 H HN -0.214 nan 8.280 nan 0.000 0.574 2383 V N 1.749 121.596 119.914 -0.112 0.000 2.834 2383 V HA 0.288 4.409 4.120 0.001 0.000 0.313 2383 V C 0.444 176.126 176.094 -0.687 0.000 1.060 2383 V CA -0.679 61.251 62.300 -0.617 0.000 0.989 2383 V CB 1.854 33.215 31.823 -0.769 0.000 1.041 2383 V HN 0.432 nan 8.190 nan 0.000 0.459 2384 I N 2.736 122.784 120.570 -0.870 0.000 2.307 2384 I HA 0.214 4.385 4.170 0.001 0.000 0.289 2384 I C 1.334 177.082 176.117 -0.615 0.000 1.021 2384 I CA -0.091 60.894 61.300 -0.526 0.000 1.224 2384 I CB 1.770 39.710 38.000 -0.100 0.000 1.376 2384 I HN 0.895 nan 8.210 nan 0.000 0.470 2385 T N 0.884 115.058 114.554 -0.634 0.000 3.054 2385 T HA 0.059 4.410 4.350 0.001 0.000 0.259 2385 T C 0.531 175.075 174.700 -0.260 0.000 1.092 2385 T CA -0.037 61.712 62.100 -0.584 0.000 1.121 2385 T CB -0.203 68.087 68.868 -0.964 0.000 0.912 2385 T HN 0.681 nan 8.240 nan 0.000 0.489 2386 C N 0.158 119.340 119.300 -0.197 0.000 3.082 2386 C HA 0.887 5.347 4.460 0.001 0.000 0.324 2386 C C -1.437 173.543 174.990 -0.017 0.000 1.210 2386 C CA -1.625 57.357 59.018 -0.061 0.000 1.366 2386 C CB 0.789 28.507 27.740 -0.037 0.000 1.756 2386 C HN 0.414 nan 8.230 nan 0.000 0.485 2387 L N 1.634 122.884 121.223 0.044 0.000 2.401 2387 L HA 0.849 5.189 4.340 0.001 0.000 0.266 2387 L C -0.850 176.088 176.870 0.113 0.000 0.991 2387 L CA 0.089 54.973 54.840 0.073 0.000 0.818 2387 L CB 2.080 44.184 42.059 0.074 0.000 1.321 2387 L HN 0.927 nan 8.230 nan 0.000 0.413 2388 Q N 2.653 122.536 119.800 0.138 0.000 2.331 2388 Q HA 0.609 4.950 4.340 0.001 0.000 0.272 2388 Q C -1.998 174.168 176.000 0.276 0.000 1.062 2388 Q CA -0.215 55.698 55.803 0.184 0.000 0.806 2388 Q CB 2.235 31.064 28.738 0.151 0.000 1.312 2388 Q HN 0.473 nan 8.270 nan 0.000 0.431 2389 F N 2.599 122.602 119.950 0.089 0.000 2.539 2389 F HA 0.605 5.132 4.527 0.001 0.000 0.328 2389 F C -1.667 174.182 175.800 0.081 0.000 1.148 2389 F CA -1.618 56.434 58.000 0.087 0.000 0.940 2389 F CB 1.140 40.193 39.000 0.089 0.000 1.194 2389 F HN 0.618 nan 8.300 nan 0.000 0.438 2390 C N 5.411 124.821 119.300 0.183 0.000 2.478 2390 C HA 0.623 5.084 4.460 0.001 0.000 0.334 2390 C C 0.716 175.674 174.990 -0.054 0.000 1.106 2390 C CA 0.070 59.072 59.018 -0.027 0.000 1.363 2390 C CB -0.306 27.469 27.740 0.059 0.000 1.941 2390 C HN 1.333 nan 8.230 nan 0.000 0.436 2391 G N 6.064 114.735 108.800 -0.216 0.000 2.121 2391 G HA2 -0.266 3.695 3.960 0.001 0.000 0.237 2391 G HA3 -0.266 3.695 3.960 0.001 0.000 0.237 2391 G C 0.511 175.430 174.900 0.031 0.000 0.628 2391 G CA 1.514 46.544 45.100 -0.116 0.000 1.062 2391 G HN 1.300 nan 8.290 nan 0.000 0.350 2392 N N -1.986 116.804 118.700 0.149 0.000 2.941 2392 N HA -0.179 4.561 4.740 0.001 0.000 0.201 2392 N C 0.689 176.361 175.510 0.271 0.000 0.944 2392 N CA 1.298 54.488 53.050 0.234 0.000 1.027 2392 N CB -0.406 38.155 38.487 0.124 0.000 0.992 2392 N HN 0.580 nan 8.380 nan 0.000 0.585 2393 R N 1.048 121.716 120.500 0.280 0.000 2.460 2393 R HA 0.591 4.932 4.340 0.001 0.000 0.303 2393 R C -0.556 175.951 176.300 0.345 0.000 0.968 2393 R CA -0.354 55.898 56.100 0.252 0.000 0.889 2393 R CB 1.216 31.616 30.300 0.166 0.000 1.123 2393 R HN 0.177 nan 8.270 nan 0.000 0.455 2394 I N 2.207 122.942 120.570 0.276 0.000 2.465 2394 I HA 0.371 4.541 4.170 0.001 0.000 0.291 2394 I C -0.407 175.891 176.117 0.302 0.000 1.014 2394 I CA -1.106 60.335 61.300 0.235 0.000 1.093 2394 I CB 2.321 40.350 38.000 0.048 0.000 1.267 2394 I HN 0.057 nan 8.210 nan 0.000 0.431 2395 V N 4.429 124.485 119.914 0.236 0.000 2.444 2395 V HA 0.393 4.514 4.120 0.001 0.000 0.294 2395 V C -0.049 176.162 176.094 0.196 0.000 1.022 2395 V CA -0.561 61.862 62.300 0.206 0.000 0.850 2395 V CB 1.696 33.582 31.823 0.106 0.000 0.992 2395 V HN 0.856 nan 8.190 nan 0.000 0.426 2396 S N 3.112 118.986 115.700 0.290 0.000 2.475 2396 S HA 0.860 5.331 4.470 0.001 0.000 0.298 2396 S C 0.061 174.725 174.600 0.106 0.000 1.119 2396 S CA -0.455 57.892 58.200 0.244 0.000 1.085 2396 S CB 1.886 65.375 63.200 0.482 0.000 1.028 2396 S HN 1.056 nan 8.310 nan 0.000 0.489 2397 G N 0.330 109.077 108.800 -0.088 0.000 2.416 2397 G HA2 0.615 4.576 3.960 0.001 0.000 0.329 2397 G HA3 0.615 4.576 3.960 0.001 0.000 0.329 2397 G C -0.874 173.731 174.900 -0.491 0.000 1.173 2397 G CA -0.682 44.274 45.100 -0.240 0.000 0.929 2397 G HN 0.855 nan 8.290 nan 0.000 0.475 2398 S N -0.511 114.837 115.700 -0.586 0.000 2.661 2398 S HA 0.453 4.924 4.470 0.001 0.000 0.285 2398 S C -0.024 174.225 174.600 -0.585 0.000 1.138 2398 S CA -0.434 57.340 58.200 -0.712 0.000 0.855 2398 S CB 1.793 64.395 63.200 -0.996 0.000 1.136 2398 S HN 0.641 nan 8.310 nan 0.000 0.484 2399 D N 0.686 120.761 120.400 -0.542 0.000 2.319 2399 D HA 0.037 4.677 4.640 0.001 0.000 0.230 2399 D C 0.590 176.766 176.300 -0.206 0.000 1.094 2399 D CA 0.037 53.839 54.000 -0.329 0.000 0.856 2399 D CB -0.280 40.418 40.800 -0.170 0.000 0.915 2399 D HN 0.588 nan 8.370 nan 0.000 0.517 2400 D N -0.019 120.134 120.400 -0.413 0.000 2.328 2400 D HA -0.072 4.569 4.640 0.001 0.000 0.221 2400 D C 0.045 176.179 176.300 -0.276 0.000 1.072 2400 D CA -0.314 53.282 54.000 -0.673 0.000 0.850 2400 D CB -0.358 39.925 40.800 -0.863 0.000 0.922 2400 D HN -0.073 nan 8.370 nan 0.000 0.516 2401 N N -0.703 117.890 118.700 -0.177 0.000 2.948 2401 N HA -0.148 4.593 4.740 0.001 0.000 0.239 2401 N C -0.139 175.358 175.510 -0.021 0.000 0.954 2401 N CA 1.483 54.499 53.050 -0.057 0.000 0.941 2401 N CB -2.069 36.425 38.487 0.011 0.000 1.101 2401 N HN 0.661 nan 8.380 nan 0.000 0.579 2402 T N -2.209 112.298 114.554 -0.078 0.000 2.888 2402 T HA 0.837 5.188 4.350 0.001 0.000 0.288 2402 T C -0.391 174.267 174.700 -0.070 0.000 1.063 2402 T CA -0.809 61.259 62.100 -0.054 0.000 1.010 2402 T CB 2.428 71.281 68.868 -0.026 0.000 1.214 2402 T HN 0.029 nan 8.240 nan 0.000 0.533 2403 L N 0.188 121.331 121.223 -0.132 0.000 2.409 2403 L HA 0.667 5.008 4.340 0.001 0.000 0.262 2403 L C -0.597 176.187 176.870 -0.144 0.000 0.992 2403 L CA -0.762 54.005 54.840 -0.122 0.000 0.817 2403 L CB 2.483 44.353 42.059 -0.315 0.000 1.350 2403 L HN 0.718 nan 8.230 nan 0.000 0.411 2404 K N 1.467 121.831 120.400 -0.059 0.000 2.426 2404 K HA 0.660 4.980 4.320 0.001 0.000 0.254 2404 K C -1.423 174.973 176.600 -0.340 0.000 0.936 2404 K CA -0.771 55.316 56.287 -0.335 0.000 0.801 2404 K CB 2.651 34.805 32.500 -0.577 0.000 1.139 2404 K HN 0.183 nan 8.250 nan 0.000 0.424 2405 V N 3.140 122.821 119.914 -0.388 0.000 2.432 2405 V HA 0.326 4.447 4.120 0.001 0.000 0.275 2405 V C -0.794 175.124 176.094 -0.293 0.000 1.043 2405 V CA -0.456 61.731 62.300 -0.189 0.000 0.925 2405 V CB -0.053 31.696 31.823 -0.123 0.000 0.985 2405 V HN 0.631 nan 8.190 nan 0.000 0.466 2406 W N 1.928 123.214 121.300 -0.023 0.000 2.762 2406 W HA 0.647 5.308 4.660 0.001 0.000 0.355 2406 W C 0.271 176.789 176.519 -0.002 0.000 1.124 2406 W CA -0.854 56.474 57.345 -0.027 0.000 1.141 2406 W CB 1.428 30.861 29.460 -0.045 0.000 1.432 2406 W HN 0.411 nan 8.180 nan 0.000 0.586 2407 S N 0.793 116.652 115.700 0.266 0.000 2.438 2407 S HA 0.530 5.001 4.470 0.001 0.000 0.316 2407 S C 0.664 175.346 174.600 0.137 0.000 1.084 2407 S CA -0.092 58.207 58.200 0.165 0.000 1.107 2407 S CB 0.917 64.183 63.200 0.110 0.000 0.981 2407 S HN 0.628 nan 8.310 nan 0.000 0.466 2408 A N 4.805 127.703 122.820 0.130 0.000 2.067 2408 A HA 0.072 4.393 4.320 0.001 0.000 0.219 2408 A C 1.783 179.401 177.584 0.058 0.000 1.158 2408 A CA 1.312 53.385 52.037 0.059 0.000 0.661 2408 A CB -0.507 18.584 19.000 0.153 0.000 0.801 2408 A HN 0.758 nan 8.150 nan 0.000 0.452 2409 V N -0.032 119.930 119.914 0.080 0.000 2.302 2409 V HA -0.161 3.960 4.120 0.001 0.000 0.243 2409 V C 2.949 179.059 176.094 0.028 0.000 1.036 2409 V CA 2.386 64.717 62.300 0.052 0.000 1.020 2409 V CB -0.935 30.922 31.823 0.056 0.000 0.657 2409 V HN 0.809 nan 8.190 nan 0.000 0.453 2410 T N -2.817 111.760 114.554 0.039 0.000 2.818 2410 T HA 0.358 4.709 4.350 0.001 0.000 0.246 2410 T C 1.530 176.246 174.700 0.027 0.000 1.036 2410 T CA 1.525 63.642 62.100 0.028 0.000 1.160 2410 T CB 0.496 69.386 68.868 0.036 0.000 0.869 2410 T HN 0.732 nan 8.240 nan 0.000 0.419 2411 G N 1.267 110.104 108.800 0.062 0.000 3.675 2411 G HA2 -0.030 3.931 3.960 0.001 0.000 0.206 2411 G HA3 -0.030 3.931 3.960 0.001 0.000 0.206 2411 G C -0.146 174.874 174.900 0.200 0.000 1.086 2411 G CA -0.338 44.804 45.100 0.070 0.000 0.894 2411 G HN 0.622 nan 8.290 nan 0.000 0.412 2412 K N 0.679 121.176 120.400 0.161 0.000 2.542 2412 K HA 0.249 4.570 4.320 0.001 0.000 0.276 2412 K C 0.300 177.005 176.600 0.175 0.000 0.963 2412 K CA 0.432 56.816 56.287 0.162 0.000 0.975 2412 K CB 0.873 33.407 32.500 0.057 0.000 0.901 2412 K HN 0.374 nan 8.250 nan 0.000 0.506 2413 C N 4.043 123.310 119.300 -0.056 0.000 2.514 2413 C HA 0.220 4.681 4.460 0.001 0.000 0.392 2413 C C 1.723 176.530 174.990 -0.305 0.000 1.294 2413 C CA -0.571 58.122 59.018 -0.542 0.000 1.957 2413 C CB -1.162 26.052 27.740 -0.877 0.000 2.541 2413 C HN 0.793 nan 8.230 nan 0.000 0.569 2414 L N 4.375 125.427 121.223 -0.286 0.000 2.357 2414 L HA 0.345 4.686 4.340 0.001 0.000 0.211 2414 L C 1.329 178.088 176.870 -0.186 0.000 1.075 2414 L CA 0.578 55.319 54.840 -0.165 0.000 0.830 2414 L CB -0.358 41.647 42.059 -0.091 0.000 0.996 2414 L HN 0.628 nan 8.230 nan 0.000 0.467 2415 R N -0.899 119.441 120.500 -0.267 0.000 2.690 2415 R HA 0.397 4.738 4.340 0.001 0.000 0.269 2415 R C -1.338 174.776 176.300 -0.310 0.000 1.037 2415 R CA -0.369 55.594 56.100 -0.228 0.000 0.877 2415 R CB 2.150 32.360 30.300 -0.150 0.000 1.255 2415 R HN -0.265 nan 8.270 nan 0.000 0.467 2416 T N 2.679 117.081 114.554 -0.252 0.000 2.864 2416 T HA 0.378 4.729 4.350 0.001 0.000 0.299 2416 T C 0.095 174.651 174.700 -0.241 0.000 1.011 2416 T CA -0.622 61.317 62.100 -0.269 0.000 0.975 2416 T CB 0.702 69.433 68.868 -0.228 0.000 0.962 2416 T HN 0.249 nan 8.240 nan 0.000 0.448 2417 L N 4.250 125.238 121.223 -0.391 0.000 2.462 2417 L HA 0.372 4.713 4.340 0.001 0.000 0.283 2417 L C 0.690 177.339 176.870 -0.367 0.000 1.166 2417 L CA -0.768 53.693 54.840 -0.631 0.000 0.964 2417 L CB -0.511 40.569 42.059 -1.632 0.000 1.294 2417 L HN 0.421 nan 8.230 nan 0.000 0.449 2418 V N 0.159 120.062 119.914 -0.019 0.000 2.439 2418 V HA 0.957 5.077 4.120 0.001 0.000 0.282 2418 V C 0.592 176.848 176.094 0.270 0.000 1.039 2418 V CA 0.536 62.890 62.300 0.090 0.000 0.913 2418 V CB 1.334 33.183 31.823 0.043 0.000 0.983 2418 V HN 0.830 nan 8.190 nan 0.000 0.460 2419 G N 2.980 111.927 108.800 0.245 0.000 3.953 2419 G HA2 0.025 3.985 3.960 0.001 0.000 0.175 2419 G HA3 0.025 3.985 3.960 0.001 0.000 0.175 2419 G C 0.228 175.163 174.900 0.058 0.000 0.875 2419 G CA -0.313 44.877 45.100 0.151 0.000 0.908 2419 G HN 0.805 nan 8.290 nan 0.000 0.367 2420 H N 1.539 120.724 119.070 0.191 0.000 2.771 2420 H HA 0.347 4.904 4.556 0.001 0.000 0.364 2420 H C 1.195 176.567 175.328 0.073 0.000 1.133 2420 H CA 1.448 57.565 56.048 0.116 0.000 1.423 2420 H CB 1.586 31.421 29.762 0.123 0.000 1.425 2420 H HN 0.280 nan 8.280 nan 0.000 0.606 2421 T N -0.204 114.474 114.554 0.207 0.000 3.174 2421 T HA 0.381 4.732 4.350 0.001 0.000 0.269 2421 T C 0.784 175.555 174.700 0.118 0.000 1.017 2421 T CA -0.092 62.086 62.100 0.130 0.000 0.899 2421 T CB 0.200 69.129 68.868 0.101 0.000 1.077 2421 T HN 0.617 nan 8.240 nan 0.000 0.552 2422 G N -0.419 108.461 108.800 0.133 0.000 2.866 2422 G HA2 0.650 4.611 3.960 0.001 0.000 0.289 2422 G HA3 0.650 4.611 3.960 0.001 0.000 0.289 2422 G C -0.335 174.615 174.900 0.084 0.000 1.396 2422 G CA -0.532 44.630 45.100 0.104 0.000 0.848 2422 G HN 0.391 nan 8.290 nan 0.000 0.515 2423 G N -1.188 107.692 108.800 0.134 0.000 2.467 2423 G HA2 0.475 4.436 3.960 0.001 0.000 0.257 2423 G HA3 0.475 4.436 3.960 0.001 0.000 0.257 2423 G C -0.253 174.655 174.900 0.014 0.000 1.227 2423 G CA -0.161 44.991 45.100 0.087 0.000 0.835 2423 G HN 0.671 nan 8.290 nan 0.000 0.556 2424 V N 1.565 121.322 119.914 -0.263 0.000 2.498 2424 V HA 0.262 4.383 4.120 0.001 0.000 0.279 2424 V C -0.092 175.709 176.094 -0.488 0.000 1.048 2424 V CA 0.128 62.245 62.300 -0.304 0.000 0.967 2424 V CB 1.262 32.906 31.823 -0.299 0.000 0.988 2424 V HN 0.945 nan 8.190 nan 0.000 0.473 2425 W N 1.781 122.988 121.300 -0.154 0.000 2.592 2425 W HA 0.261 4.922 4.660 0.001 0.000 0.306 2425 W C 0.821 177.291 176.519 -0.083 0.000 0.991 2425 W CA 0.171 57.446 57.345 -0.117 0.000 1.430 2425 W CB 0.536 29.932 29.460 -0.107 0.000 1.017 2425 W HN 0.629 nan 8.180 nan 0.000 0.557 2426 S N -0.486 115.263 115.700 0.082 0.000 2.599 2426 S HA 0.841 5.311 4.470 0.001 0.000 0.287 2426 S C -0.592 174.036 174.600 0.046 0.000 1.105 2426 S CA -0.719 57.524 58.200 0.071 0.000 0.899 2426 S CB 2.494 65.743 63.200 0.081 0.000 1.100 2426 S HN -0.120 nan 8.310 nan 0.000 0.482 2427 S N 0.378 116.121 115.700 0.072 0.000 2.565 2427 S HA 0.701 5.172 4.470 0.001 0.000 0.269 2427 S C -2.274 172.395 174.600 0.115 0.000 1.153 2427 S CA -0.496 57.752 58.200 0.080 0.000 0.835 2427 S CB 1.610 64.838 63.200 0.047 0.000 1.122 2427 S HN 0.776 nan 8.310 nan 0.000 0.462 2428 Q N 1.334 121.208 119.800 0.123 0.000 2.522 2428 Q HA 0.519 4.860 4.340 0.001 0.000 0.285 2428 Q C -1.453 174.622 176.000 0.124 0.000 0.982 2428 Q CA -0.519 55.366 55.803 0.136 0.000 0.805 2428 Q CB 2.323 31.149 28.738 0.147 0.000 1.457 2428 Q HN 0.891 nan 8.270 nan 0.000 0.394 2429 M N 0.866 120.535 119.600 0.116 0.000 2.562 2429 M HA 0.552 5.033 4.480 0.001 0.000 0.281 2429 M C -2.121 174.230 176.300 0.085 0.000 1.195 2429 M CA -0.355 55.008 55.300 0.104 0.000 0.888 2429 M CB 2.584 35.249 32.600 0.109 0.000 1.731 2429 M HN 0.596 nan 8.290 nan 0.000 0.493 2430 R N 3.255 123.799 120.500 0.073 0.000 2.772 2430 R HA 0.242 4.583 4.340 0.001 0.000 0.288 2430 R C -1.652 174.677 176.300 0.049 0.000 1.365 2430 R CA -0.237 55.894 56.100 0.050 0.000 1.023 2430 R CB 0.756 31.076 30.300 0.033 0.000 1.261 2430 R HN 0.970 nan 8.270 nan 0.000 0.422 2431 D N 3.434 123.861 120.400 0.046 0.000 6.738 2431 D HA -0.285 4.356 4.640 0.001 0.000 0.176 2431 D C 0.371 176.701 176.300 0.049 0.000 1.109 2431 D CA 1.449 55.476 54.000 0.044 0.000 0.936 2431 D CB -0.348 40.470 40.800 0.030 0.000 1.412 2431 D HN 0.906 nan 8.370 nan 0.000 0.801 2432 N N -0.134 118.602 118.700 0.059 0.000 2.965 2432 N HA -0.201 4.539 4.740 0.001 0.000 0.232 2432 N C -0.842 174.715 175.510 0.079 0.000 0.913 2432 N CA 0.959 54.047 53.050 0.063 0.000 0.981 2432 N CB -0.271 38.246 38.487 0.050 0.000 1.077 2432 N HN 0.488 nan 8.380 nan 0.000 0.589 2433 I N 2.415 123.035 120.570 0.085 0.000 2.382 2433 I HA 0.445 4.616 4.170 0.001 0.000 0.285 2433 I C 0.340 176.533 176.117 0.127 0.000 1.007 2433 I CA -0.394 60.969 61.300 0.105 0.000 1.142 2433 I CB 1.169 39.221 38.000 0.087 0.000 1.289 2433 I HN 0.035 nan 8.210 nan 0.000 0.453 2434 I N 6.855 127.531 120.570 0.177 0.000 2.562 2434 I HA 0.524 4.695 4.170 0.001 0.000 0.301 2434 I C -0.241 176.051 176.117 0.291 0.000 1.003 2434 I CA -0.712 60.703 61.300 0.193 0.000 1.127 2434 I CB 2.328 40.412 38.000 0.140 0.000 1.304 2434 I HN 0.305 nan 8.210 nan 0.000 0.446 2435 I N 4.095 124.808 120.570 0.238 0.000 2.533 2435 I HA 0.347 4.518 4.170 0.001 0.000 0.290 2435 I C -0.413 175.844 176.117 0.233 0.000 1.056 2435 I CA -0.339 61.106 61.300 0.241 0.000 1.057 2435 I CB 2.210 40.292 38.000 0.138 0.000 1.240 2435 I HN 0.586 nan 8.210 nan 0.000 0.423 2436 S N 3.243 119.133 115.700 0.317 0.000 2.566 2436 S HA 0.908 5.379 4.470 0.001 0.000 0.298 2436 S C -0.431 174.263 174.600 0.156 0.000 1.083 2436 S CA -0.825 57.527 58.200 0.253 0.000 0.978 2436 S CB 2.194 65.649 63.200 0.425 0.000 1.073 2436 S HN 0.838 nan 8.310 nan 0.000 0.491 2437 G N 0.124 108.937 108.800 0.022 0.000 2.609 2437 G HA2 0.583 4.544 3.960 0.001 0.000 0.308 2437 G HA3 0.583 4.544 3.960 0.001 0.000 0.308 2437 G C -0.879 173.946 174.900 -0.125 0.000 1.369 2437 G CA -0.561 44.523 45.100 -0.026 0.000 0.958 2437 G HN 0.832 nan 8.290 nan 0.000 0.499 2438 S N 0.199 115.784 115.700 -0.192 0.000 2.677 2438 S HA 0.625 5.095 4.470 0.001 0.000 0.304 2438 S C 1.717 176.312 174.600 -0.009 0.000 1.108 2438 S CA 0.253 58.340 58.200 -0.188 0.000 0.944 2438 S CB 1.425 64.314 63.200 -0.519 0.000 1.127 2438 S HN 0.896 nan 8.310 nan 0.000 0.511 2439 T N -0.343 114.248 114.554 0.062 0.000 2.995 2439 T HA -0.071 4.280 4.350 0.001 0.000 0.269 2439 T C 0.920 175.647 174.700 0.045 0.000 1.091 2439 T CA 1.335 63.456 62.100 0.036 0.000 1.128 2439 T CB -0.795 68.107 68.868 0.057 0.000 0.891 2439 T HN 0.743 nan 8.240 nan 0.000 0.492 2440 D N 1.461 121.906 120.400 0.074 0.000 2.379 2440 D HA -0.052 4.589 4.640 0.001 0.000 0.243 2440 D C 1.016 177.378 176.300 0.102 0.000 1.088 2440 D CA -0.069 53.993 54.000 0.104 0.000 0.925 2440 D CB -0.614 40.282 40.800 0.159 0.000 0.888 2440 D HN 0.519 nan 8.370 nan 0.000 0.529 2441 R N -2.174 118.371 120.500 0.075 0.000 3.922 2441 R HA -0.179 4.162 4.340 0.001 0.000 0.447 2441 R C 0.272 176.631 176.300 0.098 0.000 1.035 2441 R CA 1.503 57.658 56.100 0.093 0.000 1.289 2441 R CB -2.982 27.390 30.300 0.121 0.000 1.906 2441 R HN 0.573 nan 8.270 nan 0.000 0.540 2442 T N -2.007 112.580 114.554 0.055 0.000 2.940 2442 T HA 0.762 5.113 4.350 0.001 0.000 0.288 2442 T C -0.196 174.494 174.700 -0.017 0.000 1.045 2442 T CA -1.035 61.026 62.100 -0.065 0.000 1.018 2442 T CB 1.945 70.671 68.868 -0.237 0.000 1.151 2442 T HN 0.018 nan 8.240 nan 0.000 0.529 2443 L N 0.776 121.874 121.223 -0.209 0.000 2.322 2443 L HA 0.694 5.035 4.340 0.001 0.000 0.269 2443 L C 0.039 176.786 176.870 -0.205 0.000 1.012 2443 L CA -0.557 54.184 54.840 -0.165 0.000 0.815 2443 L CB 1.980 43.783 42.059 -0.426 0.000 1.295 2443 L HN 0.737 nan 8.230 nan 0.000 0.438 2444 K N 0.830 121.195 120.400 -0.059 0.000 2.482 2444 K HA 0.634 4.954 4.320 0.001 0.000 0.251 2444 K C -1.643 174.800 176.600 -0.262 0.000 0.936 2444 K CA -0.721 55.381 56.287 -0.309 0.000 0.791 2444 K CB 2.555 34.725 32.500 -0.550 0.000 1.213 2444 K HN 0.201 nan 8.250 nan 0.000 0.428 2445 V N 3.148 122.857 119.914 -0.342 0.000 2.407 2445 V HA 0.393 4.514 4.120 0.001 0.000 0.278 2445 V C -0.861 175.069 176.094 -0.272 0.000 1.037 2445 V CA -0.574 61.651 62.300 -0.125 0.000 0.900 2445 V CB 0.168 32.001 31.823 0.017 0.000 0.983 2445 V HN 0.637 nan 8.190 nan 0.000 0.459 2446 W N 2.347 123.648 121.300 0.001 0.000 2.762 2446 W HA 0.510 5.171 4.660 0.001 0.000 0.355 2446 W C 0.209 176.726 176.519 -0.003 0.000 1.124 2446 W CA -0.841 56.495 57.345 -0.014 0.000 1.141 2446 W CB 0.707 30.159 29.460 -0.013 0.000 1.432 2446 W HN 0.403 nan 8.180 nan 0.000 0.586 2447 N N 0.889 119.737 118.700 0.247 0.000 2.511 2447 N HA 0.280 5.021 4.740 0.001 0.000 0.249 2447 N C 0.545 176.134 175.510 0.132 0.000 0.971 2447 N CA 0.112 53.244 53.050 0.137 0.000 0.938 2447 N CB 1.671 40.204 38.487 0.077 0.000 1.131 2447 N HN 0.589 nan 8.380 nan 0.000 0.505 2448 A N 3.403 126.287 122.820 0.106 0.000 1.948 2448 A HA -0.206 4.115 4.320 0.001 0.000 0.220 2448 A C 1.881 179.486 177.584 0.035 0.000 1.177 2448 A CA 1.771 53.846 52.037 0.062 0.000 0.636 2448 A CB -0.340 18.696 19.000 0.059 0.000 0.815 2448 A HN 0.757 nan 8.150 nan 0.000 0.449 2449 E N -0.364 119.859 120.200 0.038 0.000 2.046 2449 E HA -0.114 4.236 4.350 0.001 0.000 0.190 2449 E C 2.134 178.743 176.600 0.015 0.000 0.982 2449 E CA 2.068 58.482 56.400 0.022 0.000 0.800 2449 E CB -0.298 29.416 29.700 0.023 0.000 0.756 2449 E HN 0.653 nan 8.360 nan 0.000 0.449 2450 T N -3.462 111.108 114.554 0.026 0.000 3.067 2450 T HA 0.193 4.543 4.350 0.001 0.000 0.257 2450 T C 1.517 176.238 174.700 0.036 0.000 1.105 2450 T CA 0.541 62.655 62.100 0.022 0.000 1.104 2450 T CB -0.067 68.813 68.868 0.021 0.000 0.925 2450 T HN 0.360 nan 8.240 nan 0.000 0.498 2451 G N 2.393 111.230 108.800 0.063 0.000 2.225 2451 G HA2 -0.274 3.687 3.960 0.001 0.000 0.267 2451 G HA3 -0.274 3.687 3.960 0.001 0.000 0.267 2451 G C -0.232 174.789 174.900 0.202 0.000 1.024 2451 G CA 0.416 45.576 45.100 0.100 0.000 0.784 2451 G HN 1.071 nan 8.290 nan 0.000 0.507 2452 E N -0.936 119.363 120.200 0.166 0.000 2.214 2452 E HA 0.557 4.908 4.350 0.001 0.000 0.274 2452 E C 0.424 177.057 176.600 0.055 0.000 0.977 2452 E CA -0.866 55.601 56.400 0.112 0.000 0.827 2452 E CB 1.531 31.241 29.700 0.016 0.000 1.130 2452 E HN 0.393 nan 8.360 nan 0.000 0.394 2453 C N 4.742 123.944 119.300 -0.162 0.000 2.593 2453 C HA 0.321 4.781 4.460 0.001 0.000 0.409 2453 C C 1.351 176.110 174.990 -0.386 0.000 1.304 2453 C CA -0.404 58.261 59.018 -0.587 0.000 2.007 2453 C CB -1.242 25.979 27.740 -0.865 0.000 2.614 2453 C HN 0.891 nan 8.230 nan 0.000 0.585 2454 I N 2.061 122.385 120.570 -0.409 0.000 4.288 2454 I HA 0.447 4.618 4.170 0.001 0.000 0.331 2454 I C 0.009 175.682 176.117 -0.740 0.000 1.322 2454 I CA 0.237 61.265 61.300 -0.454 0.000 1.149 2454 I CB -0.167 37.623 38.000 -0.350 0.000 1.112 2454 I HN 0.588 nan 8.210 nan 0.000 0.403 2455 H N 0.858 119.761 119.070 -0.278 0.000 3.064 2455 H HA 0.490 5.047 4.556 0.001 0.000 0.352 2455 H C -1.190 173.921 175.328 -0.363 0.000 1.260 2455 H CA -0.471 55.431 56.048 -0.243 0.000 1.160 2455 H CB 2.424 32.078 29.762 -0.182 0.000 1.879 2455 H HN -0.068 nan 8.280 nan 0.000 0.544 2456 T N 3.298 117.735 114.554 -0.195 0.000 2.881 2456 T HA 0.389 4.739 4.350 0.001 0.000 0.291 2456 T C 0.019 174.423 174.700 -0.493 0.000 0.990 2456 T CA -0.737 61.109 62.100 -0.423 0.000 0.976 2456 T CB 0.836 69.453 68.868 -0.419 0.000 0.970 2456 T HN 0.221 nan 8.240 nan 0.000 0.438 2457 L N 3.980 124.814 121.223 -0.648 0.000 2.262 2457 L HA 0.538 4.878 4.340 0.001 0.000 0.288 2457 L C -0.887 175.623 176.870 -0.600 0.000 1.035 2457 L CA -1.011 53.409 54.840 -0.700 0.000 0.820 2457 L CB 0.182 41.382 42.059 -1.433 0.000 1.204 2457 L HN 0.611 nan 8.230 nan 0.000 0.424 2458 Y N 1.286 121.587 120.300 0.001 0.000 2.352 2458 Y HA 0.670 5.221 4.550 0.001 0.000 0.326 2458 Y C 1.108 177.181 175.900 0.289 0.000 1.166 2458 Y CA 0.056 58.221 58.100 0.107 0.000 1.182 2458 Y CB 1.980 40.481 38.460 0.068 0.000 1.216 2458 Y HN 0.730 nan 8.280 nan 0.000 0.474 2459 G N -0.260 108.760 108.800 0.367 0.000 3.859 2459 G HA2 -0.118 3.843 3.960 0.001 0.000 0.198 2459 G HA3 -0.118 3.843 3.960 0.001 0.000 0.198 2459 G C -0.420 174.540 174.900 0.099 0.000 0.972 2459 G CA -0.549 44.675 45.100 0.208 0.000 0.882 2459 G HN 0.524 nan 8.290 nan 0.000 0.364 2460 H N 1.711 120.928 119.070 0.245 0.000 2.652 2460 H HA 0.430 4.986 4.556 0.001 0.000 0.349 2460 H C 1.551 176.945 175.328 0.110 0.000 1.099 2460 H CA 1.187 57.322 56.048 0.146 0.000 1.417 2460 H CB 1.773 31.619 29.762 0.139 0.000 1.457 2460 H HN 0.350 nan 8.280 nan 0.000 0.568 2461 T N -1.134 113.547 114.554 0.213 0.000 3.015 2461 T HA 0.071 4.422 4.350 0.001 0.000 0.250 2461 T C 1.050 175.806 174.700 0.093 0.000 1.057 2461 T CA -0.118 62.060 62.100 0.130 0.000 1.066 2461 T CB 0.502 69.425 68.868 0.091 0.000 0.959 2461 T HN 0.327 nan 8.240 nan 0.000 0.488 2462 S N 0.532 116.278 115.700 0.077 0.000 2.689 2462 S HA 0.506 4.977 4.470 0.001 0.000 0.306 2462 S C -0.214 174.370 174.600 -0.028 0.000 1.104 2462 S CA -0.496 57.712 58.200 0.013 0.000 0.973 2462 S CB 1.206 64.398 63.200 -0.014 0.000 1.121 2462 S HN 0.311 nan 8.310 nan 0.000 0.523 2463 T N 2.171 116.686 114.554 -0.065 0.000 2.830 2463 T HA 0.040 4.390 4.350 0.001 0.000 0.282 2463 T C -0.198 174.411 174.700 -0.152 0.000 1.024 2463 T CA 0.333 62.374 62.100 -0.099 0.000 1.144 2463 T CB -0.123 68.649 68.868 -0.159 0.000 1.035 2463 T HN 0.450 nan 8.240 nan 0.000 0.507 2464 V N 6.257 126.099 119.914 -0.120 0.000 2.338 2464 V HA 0.154 4.275 4.120 0.001 0.000 0.255 2464 V C 1.366 177.400 176.094 -0.100 0.000 1.082 2464 V CA -0.191 62.013 62.300 -0.161 0.000 0.951 2464 V CB 0.665 32.444 31.823 -0.073 0.000 1.102 2464 V HN 0.671 nan 8.190 nan 0.000 0.489 2465 R N 3.691 124.102 120.500 -0.148 0.000 2.062 2465 R HA 0.049 4.390 4.340 0.001 0.000 0.226 2465 R C 0.753 177.034 176.300 -0.032 0.000 1.125 2465 R CA 1.479 57.514 56.100 -0.109 0.000 0.966 2465 R CB -0.018 30.162 30.300 -0.200 0.000 0.861 2465 R HN 0.842 nan 8.270 nan 0.000 0.433 2466 C N -1.517 117.758 119.300 -0.041 0.000 3.080 2466 C HA 0.876 5.336 4.460 0.001 0.000 0.307 2466 C C -0.690 174.337 174.990 0.062 0.000 1.311 2466 C CA -1.372 57.658 59.018 0.020 0.000 1.533 2466 C CB 1.455 29.197 27.740 0.003 0.000 1.970 2466 C HN 0.513 nan 8.230 nan 0.000 0.467 2467 M N 0.778 120.448 119.600 0.117 0.000 2.426 2467 M HA 0.609 5.089 4.480 0.001 0.000 0.289 2467 M C -1.873 174.590 176.300 0.271 0.000 1.168 2467 M CA -0.227 55.178 55.300 0.176 0.000 0.933 2467 M CB 1.754 34.448 32.600 0.156 0.000 1.750 2467 M HN 0.939 nan 8.290 nan 0.000 0.494 2468 H N 2.097 121.273 119.070 0.176 0.000 2.689 2468 H HA 0.773 5.329 4.556 0.001 0.000 0.346 2468 H C -2.276 173.220 175.328 0.281 0.000 1.037 2468 H CA -0.754 55.425 56.048 0.219 0.000 1.234 2468 H CB 1.871 31.781 29.762 0.246 0.000 1.572 2468 H HN 0.839 nan 8.280 nan 0.000 0.524 2469 L N 5.208 126.440 121.223 0.015 0.000 2.295 2469 L HA 0.411 4.751 4.340 0.001 0.000 0.285 2469 L C -1.281 175.562 176.870 -0.044 0.000 1.035 2469 L CA -0.374 54.496 54.840 0.050 0.000 0.806 2469 L CB 0.702 42.808 42.059 0.078 0.000 1.214 2469 L HN 0.842 nan 8.230 nan 0.000 0.426 2470 H N 3.657 122.726 119.070 -0.002 0.000 2.991 2470 H HA 0.462 5.018 4.556 0.001 0.000 0.304 2470 H C 0.123 175.442 175.328 -0.015 0.000 1.040 2470 H CA 0.384 56.366 56.048 -0.110 0.000 1.410 2470 H CB 0.606 30.155 29.762 -0.356 0.000 1.529 2470 H HN 0.913 nan 8.280 nan 0.000 0.509 2471 E N 1.462 121.409 120.200 -0.422 0.000 3.130 2471 E HA -0.302 4.049 4.350 0.001 0.000 0.381 2471 E C 0.410 176.962 176.600 -0.080 0.000 1.488 2471 E CA 1.646 57.866 56.400 -0.300 0.000 1.362 2471 E CB -0.582 28.854 29.700 -0.440 0.000 1.656 2471 E HN 0.591 nan 8.360 nan 0.000 0.504 2472 K N 2.871 123.258 120.400 -0.022 0.000 2.417 2472 K HA 0.191 4.512 4.320 0.001 0.000 0.196 2472 K C 0.121 176.781 176.600 0.100 0.000 1.023 2472 K CA 0.722 57.033 56.287 0.039 0.000 1.122 2472 K CB 0.381 32.902 32.500 0.035 0.000 0.850 2472 K HN 0.219 nan 8.250 nan 0.000 0.521 2473 R N 0.024 120.625 120.500 0.169 0.000 2.807 2473 R HA 0.620 4.961 4.340 0.001 0.000 0.276 2473 R C -1.153 175.321 176.300 0.290 0.000 0.979 2473 R CA -0.998 55.250 56.100 0.247 0.000 0.928 2473 R CB 2.499 33.008 30.300 0.349 0.000 1.191 2473 R HN -0.130 nan 8.270 nan 0.000 0.471 2474 V N 2.005 122.069 119.914 0.251 0.000 2.760 2474 V HA 0.420 4.541 4.120 0.001 0.000 0.309 2474 V C -0.673 175.563 176.094 0.237 0.000 1.077 2474 V CA -0.863 61.590 62.300 0.256 0.000 0.910 2474 V CB 2.337 34.295 31.823 0.227 0.000 1.008 2474 V HN 0.438 nan 8.190 nan 0.000 0.424 2475 V N 3.178 123.193 119.914 0.169 0.000 2.459 2475 V HA 0.722 4.843 4.120 0.001 0.000 0.295 2475 V C 0.109 176.326 176.094 0.205 0.000 1.029 2475 V CA -0.408 61.943 62.300 0.086 0.000 0.874 2475 V CB 1.981 33.743 31.823 -0.102 0.000 0.985 2475 V HN 1.019 nan 8.190 nan 0.000 0.438 2476 S N 2.633 118.501 115.700 0.280 0.000 2.503 2476 S HA 0.878 5.348 4.470 0.001 0.000 0.301 2476 S C -0.156 174.544 174.600 0.167 0.000 1.087 2476 S CA -0.474 57.890 58.200 0.275 0.000 1.042 2476 S CB 1.954 65.426 63.200 0.454 0.000 1.043 2476 S HN 1.129 nan 8.310 nan 0.000 0.489 2477 G N 0.320 109.125 108.800 0.007 0.000 2.415 2477 G HA2 0.602 4.562 3.960 0.001 0.000 0.327 2477 G HA3 0.602 4.562 3.960 0.001 0.000 0.327 2477 G C -0.729 174.016 174.900 -0.258 0.000 1.182 2477 G CA -0.643 44.400 45.100 -0.095 0.000 0.924 2477 G HN 0.921 nan 8.290 nan 0.000 0.470 2478 S N 0.882 116.382 115.700 -0.334 0.000 2.671 2478 S HA 0.427 4.898 4.470 0.001 0.000 0.299 2478 S C 1.009 175.465 174.600 -0.240 0.000 1.116 2478 S CA -0.816 57.149 58.200 -0.392 0.000 0.912 2478 S CB 1.698 64.485 63.200 -0.687 0.000 1.130 2478 S HN 0.511 nan 8.310 nan 0.000 0.501 2479 R N 0.248 120.625 120.500 -0.205 0.000 2.339 2479 R HA 0.031 4.371 4.340 0.001 0.000 0.199 2479 R C 0.246 176.495 176.300 -0.085 0.000 1.018 2479 R CA 1.143 57.148 56.100 -0.159 0.000 1.036 2479 R CB -0.287 29.928 30.300 -0.141 0.000 0.899 2479 R HN 0.708 nan 8.270 nan 0.000 0.473 2480 D N -0.873 119.495 120.400 -0.053 0.000 2.328 2480 D HA 0.089 4.729 4.640 0.001 0.000 0.226 2480 D C 0.705 177.020 176.300 0.025 0.000 1.066 2480 D CA 0.503 54.510 54.000 0.012 0.000 0.861 2480 D CB 0.351 41.196 40.800 0.075 0.000 0.912 2480 D HN 0.027 nan 8.370 nan 0.000 0.521 2481 A N -1.011 121.806 122.820 -0.006 0.000 3.021 2481 A HA -0.147 4.174 4.320 0.001 0.000 0.257 2481 A C 0.848 178.488 177.584 0.092 0.000 1.277 2481 A CA 1.384 53.443 52.037 0.036 0.000 1.012 2481 A CB -2.703 16.338 19.000 0.069 0.000 1.147 2481 A HN 0.825 nan 8.150 nan 0.000 0.861 2482 T N -2.839 111.759 114.554 0.073 0.000 2.907 2482 T HA 0.842 5.193 4.350 0.001 0.000 0.290 2482 T C -0.488 174.267 174.700 0.091 0.000 1.066 2482 T CA -0.513 61.627 62.100 0.066 0.000 1.012 2482 T CB 1.756 70.659 68.868 0.059 0.000 1.184 2482 T HN 0.892 nan 8.240 nan 0.000 0.522 2483 L N 0.196 121.393 121.223 -0.043 0.000 2.354 2483 L HA 0.741 5.082 4.340 0.001 0.000 0.264 2483 L C 0.039 176.821 176.870 -0.147 0.000 1.008 2483 L CA -0.850 53.967 54.840 -0.038 0.000 0.819 2483 L CB 2.313 44.217 42.059 -0.258 0.000 1.339 2483 L HN 0.676 nan 8.230 nan 0.000 0.420 2484 R N 0.692 121.135 120.500 -0.095 0.000 2.628 2484 R HA 0.749 5.090 4.340 0.001 0.000 0.288 2484 R C -1.601 174.391 176.300 -0.514 0.000 0.980 2484 R CA -0.831 54.983 56.100 -0.478 0.000 0.891 2484 R CB 2.536 32.345 30.300 -0.819 0.000 1.188 2484 R HN 0.289 nan 8.270 nan 0.000 0.450 2485 V N 3.100 122.646 119.914 -0.614 0.000 2.370 2485 V HA 0.438 4.559 4.120 0.001 0.000 0.279 2485 V C -0.877 174.924 176.094 -0.489 0.000 1.029 2485 V CA -0.629 61.438 62.300 -0.388 0.000 0.870 2485 V CB 0.700 32.395 31.823 -0.213 0.000 0.984 2485 V HN 0.633 nan 8.190 nan 0.000 0.451 2486 W N 1.625 122.886 121.300 -0.065 0.000 2.719 2486 W HA 0.536 5.196 4.660 0.001 0.000 0.352 2486 W C -0.140 176.350 176.519 -0.049 0.000 1.085 2486 W CA -0.836 56.467 57.345 -0.070 0.000 1.187 2486 W CB 0.733 30.152 29.460 -0.068 0.000 1.417 2486 W HN 0.396 nan 8.180 nan 0.000 0.557 2487 D N 1.883 122.381 120.400 0.163 0.000 2.329 2487 D HA 0.126 4.766 4.640 0.001 0.000 0.232 2487 D C 0.888 177.192 176.300 0.007 0.000 1.088 2487 D CA -0.227 53.813 54.000 0.066 0.000 0.835 2487 D CB 1.232 42.037 40.800 0.009 0.000 1.078 2487 D HN 0.210 nan 8.370 nan 0.000 0.495 2488 I N 3.260 123.848 120.570 0.030 0.000 2.700 2488 I HA -0.166 4.005 4.170 0.001 0.000 0.261 2488 I C 1.762 177.860 176.117 -0.031 0.000 1.219 2488 I CA 1.027 62.328 61.300 0.001 0.000 1.463 2488 I CB -0.591 37.441 38.000 0.053 0.000 1.092 2488 I HN 0.539 nan 8.210 nan 0.000 0.452 2489 E N 0.207 120.388 120.200 -0.031 0.000 2.079 2489 E HA -0.086 4.264 4.350 0.001 0.000 0.191 2489 E C 2.152 178.728 176.600 -0.042 0.000 0.961 2489 E CA 1.405 57.815 56.400 0.016 0.000 0.823 2489 E CB -0.099 29.621 29.700 0.034 0.000 0.789 2489 E HN 0.499 nan 8.360 nan 0.000 0.459 2490 T N -2.030 112.460 114.554 -0.106 0.000 2.812 2490 T HA 0.043 4.394 4.350 0.001 0.000 0.264 2490 T C 1.699 176.183 174.700 -0.359 0.000 1.042 2490 T CA 0.996 63.032 62.100 -0.108 0.000 1.140 2490 T CB -0.077 68.760 68.868 -0.051 0.000 0.870 2490 T HN 0.357 nan 8.240 nan 0.000 0.445 2491 G N 0.482 108.961 108.800 -0.535 0.000 2.141 2491 G HA2 -0.160 3.801 3.960 0.001 0.000 0.231 2491 G HA3 -0.160 3.801 3.960 0.001 0.000 0.231 2491 G C -0.218 174.625 174.900 -0.096 0.000 0.984 2491 G CA -0.114 44.608 45.100 -0.630 0.000 0.660 2491 G HN 0.680 nan 8.290 nan 0.000 0.525 2492 Q N -0.494 119.295 119.800 -0.018 0.000 2.221 2492 Q HA 0.647 4.987 4.340 0.001 0.000 0.242 2492 Q C 0.458 176.526 176.000 0.114 0.000 0.940 2492 Q CA -0.802 55.037 55.803 0.060 0.000 0.896 2492 Q CB 1.526 30.254 28.738 -0.018 0.000 1.226 2492 Q HN 0.569 nan 8.270 nan 0.000 0.463 2493 C N 3.073 122.367 119.300 -0.009 0.000 2.285 2493 C HA 0.411 4.872 4.460 0.001 0.000 0.335 2493 C C 0.921 175.669 174.990 -0.404 0.000 1.267 2493 C CA -0.458 58.308 59.018 -0.420 0.000 1.762 2493 C CB -1.052 26.237 27.740 -0.752 0.000 2.365 2493 C HN 0.812 nan 8.230 nan 0.000 0.527 2494 L N 4.139 125.081 121.223 -0.468 0.000 2.168 2494 L HA 0.335 4.675 4.340 0.001 0.000 0.203 2494 L C 0.745 177.061 176.870 -0.925 0.000 1.078 2494 L CA 1.463 55.924 54.840 -0.633 0.000 0.780 2494 L CB -0.722 40.992 42.059 -0.574 0.000 0.939 2494 L HN 0.774 nan 8.230 nan 0.000 0.451 2495 H N -3.256 115.610 119.070 -0.341 0.000 2.985 2495 H HA 0.691 5.247 4.556 0.001 0.000 0.360 2495 H C -1.266 173.824 175.328 -0.398 0.000 1.221 2495 H CA -0.977 54.888 56.048 -0.306 0.000 1.121 2495 H CB 1.752 31.370 29.762 -0.241 0.000 1.854 2495 H HN -0.370 nan 8.280 nan 0.000 0.551 2496 V N 2.533 122.332 119.914 -0.191 0.000 2.482 2496 V HA 0.201 4.322 4.120 0.001 0.000 0.295 2496 V C -1.130 174.801 176.094 -0.271 0.000 1.026 2496 V CA -0.765 61.373 62.300 -0.271 0.000 0.856 2496 V CB 1.541 33.224 31.823 -0.233 0.000 1.001 2496 V HN 0.405 nan 8.190 nan 0.000 0.424 2497 L N 6.090 127.046 121.223 -0.445 0.000 2.259 2497 L HA 0.573 4.913 4.340 0.001 0.000 0.288 2497 L C -0.053 176.516 176.870 -0.502 0.000 1.051 2497 L CA 0.073 54.456 54.840 -0.762 0.000 0.824 2497 L CB 0.571 41.603 42.059 -1.712 0.000 1.206 2497 L HN 0.583 nan 8.230 nan 0.000 0.429 2498 M N 2.235 121.764 119.600 -0.119 0.000 2.294 2498 M HA 0.646 5.127 4.480 0.001 0.000 0.335 2498 M C 0.731 177.204 176.300 0.289 0.000 1.079 2498 M CA -0.240 55.102 55.300 0.070 0.000 0.982 2498 M CB 2.240 34.860 32.600 0.033 0.000 1.651 2498 M HN 0.703 nan 8.290 nan 0.000 0.437 2499 G N -0.014 108.951 108.800 0.274 0.000 4.111 2499 G HA2 -0.029 3.932 3.960 0.001 0.000 0.216 2499 G HA3 -0.029 3.932 3.960 0.001 0.000 0.216 2499 G C -0.178 174.762 174.900 0.067 0.000 0.822 2499 G CA -0.528 44.670 45.100 0.164 0.000 0.845 2499 G HN 0.620 nan 8.290 nan 0.000 0.533 2500 H N 0.821 120.008 119.070 0.195 0.000 2.582 2500 H HA 0.439 4.995 4.556 0.001 0.000 0.345 2500 H C 1.261 176.621 175.328 0.054 0.000 1.104 2500 H CA 0.327 56.443 56.048 0.112 0.000 1.390 2500 H CB 2.279 32.113 29.762 0.121 0.000 1.461 2500 H HN -0.056 nan 8.280 nan 0.000 0.551 2501 V N 2.008 122.033 119.914 0.185 0.000 2.725 2501 V HA 0.106 4.226 4.120 0.001 0.000 0.247 2501 V C 1.195 177.327 176.094 0.063 0.000 1.058 2501 V CA 1.240 63.591 62.300 0.084 0.000 1.080 2501 V CB -0.078 31.765 31.823 0.033 0.000 0.713 2501 V HN 0.778 nan 8.190 nan 0.000 0.465 2502 A N -0.492 122.367 122.820 0.066 0.000 2.389 2502 A HA 0.865 5.185 4.320 0.001 0.000 0.293 2502 A C 0.124 177.679 177.584 -0.049 0.000 1.186 2502 A CA -0.089 51.970 52.037 0.036 0.000 0.828 2502 A CB 0.839 19.894 19.000 0.093 0.000 1.369 2502 A HN 0.459 nan 8.150 nan 0.000 0.446 2503 A N -0.419 122.343 122.820 -0.096 0.000 2.587 2503 A HA 0.421 4.742 4.320 0.001 0.000 0.233 2503 A C 0.036 177.345 177.584 -0.459 0.000 1.049 2503 A CA 0.204 52.074 52.037 -0.279 0.000 0.754 2503 A CB -0.475 18.306 19.000 -0.366 0.000 0.977 2503 A HN 1.251 nan 8.150 nan 0.000 0.509 2504 V N 4.249 123.925 119.914 -0.398 0.000 2.348 2504 V HA 0.240 4.361 4.120 0.001 0.000 0.270 2504 V C 1.308 177.154 176.094 -0.414 0.000 1.037 2504 V CA -0.057 62.002 62.300 -0.401 0.000 0.872 2504 V CB 0.733 32.410 31.823 -0.242 0.000 1.002 2504 V HN 1.048 nan 8.190 nan 0.000 0.464 2505 R N 3.743 123.955 120.500 -0.481 0.000 2.156 2505 R HA 0.158 4.499 4.340 0.001 0.000 0.207 2505 R C 0.519 176.702 176.300 -0.195 0.000 1.040 2505 R CA 0.913 56.753 56.100 -0.434 0.000 1.013 2505 R CB 0.076 30.007 30.300 -0.616 0.000 0.931 2505 R HN 0.834 nan 8.270 nan 0.000 0.465 2506 C N -2.040 117.182 119.300 -0.130 0.000 2.888 2506 C HA 0.849 5.310 4.460 0.001 0.000 0.308 2506 C C -0.610 174.379 174.990 -0.002 0.000 1.213 2506 C CA -1.498 57.500 59.018 -0.033 0.000 1.461 2506 C CB 1.340 29.088 27.740 0.014 0.000 1.934 2506 C HN 0.039 nan 8.230 nan 0.000 0.474 2507 V N 2.155 122.087 119.914 0.029 0.000 3.012 2507 V HA 0.744 4.865 4.120 0.001 0.000 0.307 2507 V C -1.889 174.247 176.094 0.069 0.000 1.166 2507 V CA 0.076 62.417 62.300 0.068 0.000 0.974 2507 V CB 2.229 34.104 31.823 0.087 0.000 1.040 2507 V HN 1.033 nan 8.190 nan 0.000 0.428 2508 Q N 3.716 123.595 119.800 0.132 0.000 2.359 2508 Q HA 0.480 4.821 4.340 0.001 0.000 0.274 2508 Q C -2.129 174.182 176.000 0.518 0.000 1.074 2508 Q CA -0.426 55.499 55.803 0.205 0.000 0.810 2508 Q CB 2.805 31.651 28.738 0.181 0.000 1.342 2508 Q HN 0.817 nan 8.270 nan 0.000 0.427 2509 Y N 2.542 123.267 120.300 0.708 0.000 2.396 2509 Y HA 0.244 4.795 4.550 0.001 0.000 0.332 2509 Y C -0.503 175.551 175.900 0.256 0.000 1.034 2509 Y CA -1.355 56.971 58.100 0.376 0.000 1.057 2509 Y CB 1.143 39.746 38.460 0.238 0.000 1.220 2509 Y HN 0.644 nan 8.280 nan 0.000 0.440 2510 D N 2.257 122.548 120.400 -0.181 0.000 2.433 2510 D HA 0.260 4.901 4.640 0.001 0.000 0.211 2510 D C 1.419 176.995 176.300 -1.208 0.000 1.114 2510 D CA 0.538 54.208 54.000 -0.550 0.000 0.837 2510 D CB 0.362 41.052 40.800 -0.183 0.000 0.984 2510 D HN 0.984 nan 8.370 nan 0.000 0.505 2511 G N 1.254 109.162 108.800 -1.486 0.000 2.213 2511 G HA2 -0.366 3.595 3.960 0.001 0.000 0.236 2511 G HA3 -0.366 3.595 3.960 0.001 0.000 0.236 2511 G C 1.153 175.951 174.900 -0.170 0.000 0.991 2511 G CA 0.399 44.979 45.100 -0.866 0.000 0.629 2511 G HN 0.544 nan 8.290 nan 0.000 0.517 2512 R N -0.461 119.989 120.500 -0.083 0.000 2.167 2512 R HA 0.332 4.673 4.340 0.001 0.000 0.195 2512 R C 0.656 177.065 176.300 0.181 0.000 1.027 2512 R CA 0.179 56.323 56.100 0.074 0.000 1.114 2512 R CB 0.353 30.678 30.300 0.043 0.000 1.075 2512 R HN 0.235 nan 8.270 nan 0.000 0.538 2513 R N 0.649 121.305 120.500 0.260 0.000 2.795 2513 R HA 0.432 4.772 4.340 0.001 0.000 0.275 2513 R C -1.340 175.158 176.300 0.330 0.000 0.981 2513 R CA -0.850 55.404 56.100 0.257 0.000 0.917 2513 R CB 2.491 32.913 30.300 0.203 0.000 1.202 2513 R HN -0.053 nan 8.270 nan 0.000 0.469 2514 V N 2.057 122.116 119.914 0.243 0.000 2.513 2514 V HA 0.457 4.578 4.120 0.001 0.000 0.299 2514 V C -0.236 175.961 176.094 0.172 0.000 1.035 2514 V CA -0.731 61.701 62.300 0.220 0.000 0.889 2514 V CB 2.112 33.965 31.823 0.050 0.000 0.988 2514 V HN 0.400 nan 8.190 nan 0.000 0.440 2515 V N 4.016 123.958 119.914 0.047 0.000 2.604 2515 V HA 0.796 4.917 4.120 0.001 0.000 0.305 2515 V C -0.191 175.966 176.094 0.105 0.000 1.043 2515 V CA -0.333 61.944 62.300 -0.039 0.000 0.888 2515 V CB 2.256 33.844 31.823 -0.392 0.000 0.995 2515 V HN 1.027 nan 8.190 nan 0.000 0.429 2516 S N 2.304 118.119 115.700 0.191 0.000 2.546 2516 S HA 0.892 5.363 4.470 0.001 0.000 0.274 2516 S C -0.458 174.253 174.600 0.185 0.000 1.121 2516 S CA -0.452 57.878 58.200 0.217 0.000 0.887 2516 S CB 2.098 65.521 63.200 0.371 0.000 1.094 2516 S HN 1.197 nan 8.310 nan 0.000 0.474 2517 G N 0.067 108.902 108.800 0.059 0.000 2.530 2517 G HA2 0.787 4.748 3.960 0.001 0.000 0.316 2517 G HA3 0.787 4.748 3.960 0.001 0.000 0.316 2517 G C -0.601 174.203 174.900 -0.160 0.000 1.298 2517 G CA -0.540 44.573 45.100 0.023 0.000 0.948 2517 G HN 1.186 nan 8.290 nan 0.000 0.486 2518 A N 1.405 124.101 122.820 -0.205 0.000 2.437 2518 A HA 0.682 5.003 4.320 0.001 0.000 0.292 2518 A C -0.341 177.252 177.584 0.015 0.000 1.173 2518 A CA -0.699 51.137 52.037 -0.335 0.000 0.785 2518 A CB 0.793 19.335 19.000 -0.764 0.000 1.351 2518 A HN 0.613 nan 8.150 nan 0.000 0.431 2519 Y N 0.924 121.164 120.300 -0.101 0.000 2.542 2519 Y HA 0.032 4.583 4.550 0.001 0.000 0.326 2519 Y C 0.718 176.711 175.900 0.156 0.000 1.218 2519 Y CA 0.604 58.721 58.100 0.029 0.000 1.277 2519 Y CB -0.608 37.832 38.460 -0.033 0.000 1.064 2519 Y HN 0.694 nan 8.280 nan 0.000 0.499 2520 D N -2.851 117.700 120.400 0.251 0.000 2.424 2520 D HA 0.019 4.660 4.640 0.001 0.000 0.220 2520 D C 0.591 176.960 176.300 0.116 0.000 1.150 2520 D CA -0.384 53.634 54.000 0.031 0.000 0.831 2520 D CB -1.188 39.635 40.800 0.039 0.000 0.981 2520 D HN 0.290 nan 8.370 nan 0.000 0.500 2521 F N -1.112 118.923 119.950 0.141 0.000 2.914 2521 F HA -0.268 4.260 4.527 0.001 0.000 0.304 2521 F C 0.040 175.956 175.800 0.193 0.000 0.712 2521 F CA -0.077 58.026 58.000 0.173 0.000 1.211 2521 F CB -1.367 37.726 39.000 0.155 0.000 1.515 2521 F HN 0.132 nan 8.300 nan 0.000 0.350 2522 M N 0.684 120.488 119.600 0.340 0.000 2.578 2522 M HA 0.648 5.129 4.480 0.001 0.000 0.321 2522 M C -0.165 176.272 176.300 0.229 0.000 1.182 2522 M CA -0.850 54.595 55.300 0.240 0.000 0.965 2522 M CB 1.884 34.601 32.600 0.194 0.000 1.694 2522 M HN -0.167 nan 8.290 nan 0.000 0.461 2523 V N 2.483 122.426 119.914 0.050 0.000 2.444 2523 V HA 0.449 4.569 4.120 0.001 0.000 0.294 2523 V C -0.299 175.689 176.094 -0.177 0.000 1.022 2523 V CA -0.846 61.430 62.300 -0.041 0.000 0.850 2523 V CB 1.939 33.614 31.823 -0.248 0.000 0.992 2523 V HN 0.718 nan 8.190 nan 0.000 0.426 2524 K N 3.477 123.829 120.400 -0.081 0.000 2.270 2524 K HA 0.725 5.046 4.320 0.001 0.000 0.255 2524 K C -1.190 175.185 176.600 -0.374 0.000 0.936 2524 K CA -0.734 55.328 56.287 -0.376 0.000 0.809 2524 K CB 2.608 34.701 32.500 -0.677 0.000 1.131 2524 K HN 0.432 nan 8.250 nan 0.000 0.427 2525 V N 3.340 122.974 119.914 -0.467 0.000 2.370 2525 V HA 0.359 4.480 4.120 0.001 0.000 0.279 2525 V C -0.999 174.897 176.094 -0.330 0.000 1.029 2525 V CA -0.746 61.392 62.300 -0.270 0.000 0.870 2525 V CB 0.076 31.812 31.823 -0.144 0.000 0.984 2525 V HN 0.647 nan 8.190 nan 0.000 0.451 2526 W N 1.976 123.215 121.300 -0.101 0.000 2.719 2526 W HA 0.598 5.259 4.660 0.001 0.000 0.352 2526 W C -0.303 176.172 176.519 -0.073 0.000 1.085 2526 W CA -1.019 56.269 57.345 -0.096 0.000 1.187 2526 W CB 0.838 30.235 29.460 -0.105 0.000 1.417 2526 W HN 0.478 nan 8.180 nan 0.000 0.557 2527 D N 2.567 123.068 120.400 0.167 0.000 2.454 2527 D HA 0.271 4.912 4.640 0.001 0.000 0.225 2527 D C -1.204 175.093 176.300 -0.004 0.000 1.081 2527 D CA -2.570 51.469 54.000 0.065 0.000 0.864 2527 D CB 1.739 42.549 40.800 0.017 0.000 1.040 2527 D HN -0.073 nan 8.370 nan 0.000 0.517 2528 P HA -0.208 nan 4.420 nan 0.000 0.214 2528 P C 1.024 177.909 177.300 -0.692 0.000 1.163 2528 P CA 1.070 63.956 63.100 -0.357 0.000 0.889 2528 P CB 0.457 31.939 31.700 -0.363 0.000 0.790 2529 E N 0.017 119.911 120.200 -0.509 0.000 2.108 2529 E HA -0.180 4.171 4.350 0.001 0.000 0.203 2529 E C 1.732 178.229 176.600 -0.173 0.000 1.022 2529 E CA 2.269 58.453 56.400 -0.360 0.000 0.823 2529 E CB -1.465 28.185 29.700 -0.083 0.000 0.744 2529 E HN 0.459 nan 8.360 nan 0.000 0.456 2530 T N -1.916 112.573 114.554 -0.109 0.000 3.186 2530 T HA 0.216 4.566 4.350 0.001 0.000 0.257 2530 T C 0.139 174.832 174.700 -0.011 0.000 1.029 2530 T CA -0.059 62.023 62.100 -0.029 0.000 0.916 2530 T CB -0.173 68.686 68.868 -0.016 0.000 1.041 2530 T HN 0.135 nan 8.240 nan 0.000 0.562 2531 E N 0.829 121.001 120.200 -0.046 0.000 2.365 2531 E HA -0.206 4.145 4.350 0.001 0.000 0.237 2531 E C 0.002 176.669 176.600 0.112 0.000 1.238 2531 E CA 0.807 57.211 56.400 0.006 0.000 0.718 2531 E CB -1.835 27.873 29.700 0.015 0.000 1.218 2531 E HN 0.663 nan 8.360 nan 0.000 0.387 2532 T N -0.984 113.643 114.554 0.123 0.000 2.855 2532 T HA 0.368 4.719 4.350 0.001 0.000 0.281 2532 T C -0.341 174.422 174.700 0.105 0.000 1.007 2532 T CA -0.721 61.444 62.100 0.109 0.000 1.009 2532 T CB 1.506 70.376 68.868 0.003 0.000 0.983 2532 T HN 0.304 nan 8.240 nan 0.000 0.455 2533 C N 7.194 126.424 119.300 -0.116 0.000 2.322 2533 C HA 0.452 4.912 4.460 0.001 0.000 0.343 2533 C C 1.726 176.466 174.990 -0.416 0.000 1.190 2533 C CA -0.662 58.015 59.018 -0.567 0.000 1.704 2533 C CB -2.186 25.001 27.740 -0.923 0.000 2.293 2533 C HN 1.022 nan 8.230 nan 0.000 0.523 2534 L N 4.720 125.712 121.223 -0.385 0.000 2.179 2534 L HA 0.156 4.496 4.340 0.001 0.000 0.208 2534 L C 0.949 177.411 176.870 -0.680 0.000 1.096 2534 L CA 1.026 55.603 54.840 -0.438 0.000 0.779 2534 L CB -0.348 41.517 42.059 -0.322 0.000 0.922 2534 L HN 0.692 nan 8.230 nan 0.000 0.443 2535 H N -1.600 117.264 119.070 -0.344 0.000 3.046 2535 H HA 0.343 4.899 4.556 0.001 0.000 0.363 2535 H C -1.081 173.990 175.328 -0.427 0.000 1.203 2535 H CA -0.506 55.347 56.048 -0.324 0.000 1.169 2535 H CB 2.150 31.749 29.762 -0.271 0.000 1.851 2535 H HN -0.285 nan 8.280 nan 0.000 0.546 2536 T N 3.525 117.955 114.554 -0.208 0.000 2.864 2536 T HA 0.349 4.700 4.350 0.001 0.000 0.299 2536 T C 0.281 174.824 174.700 -0.262 0.000 1.011 2536 T CA -0.654 61.278 62.100 -0.280 0.000 0.975 2536 T CB 0.434 69.159 68.868 -0.239 0.000 0.962 2536 T HN 0.204 nan 8.240 nan 0.000 0.448 2537 L N 4.018 124.988 121.223 -0.421 0.000 2.260 2537 L HA 0.427 4.768 4.340 0.001 0.000 0.289 2537 L C 0.559 177.207 176.870 -0.371 0.000 1.057 2537 L CA -0.482 53.939 54.840 -0.698 0.000 0.811 2537 L CB 0.602 41.683 42.059 -1.629 0.000 1.184 2537 L HN 0.437 nan 8.230 nan 0.000 0.429 2538 Q N 1.788 121.557 119.800 -0.050 0.000 2.274 2538 Q HA 0.596 4.937 4.340 0.001 0.000 0.260 2538 Q C 0.468 176.669 176.000 0.335 0.000 0.974 2538 Q CA 0.033 55.921 55.803 0.142 0.000 0.876 2538 Q CB 2.466 31.259 28.738 0.090 0.000 1.297 2538 Q HN 0.894 nan 8.270 nan 0.000 0.446 2539 G N 1.121 110.085 108.800 0.274 0.000 4.040 2539 G HA2 -0.102 3.859 3.960 0.001 0.000 0.192 2539 G HA3 -0.102 3.859 3.960 0.001 0.000 0.192 2539 G C -0.383 174.593 174.900 0.127 0.000 0.963 2539 G CA -0.559 44.635 45.100 0.157 0.000 0.886 2539 G HN 0.673 nan 8.290 nan 0.000 0.333 2540 H N 1.569 120.792 119.070 0.254 0.000 2.897 2540 H HA 0.370 4.926 4.556 0.001 0.000 0.347 2540 H C 1.281 176.690 175.328 0.134 0.000 1.068 2540 H CA 1.033 57.174 56.048 0.154 0.000 1.426 2540 H CB 1.239 31.105 29.762 0.174 0.000 1.410 2540 H HN 0.244 nan 8.280 nan 0.000 0.597 2541 T N 0.070 114.706 114.554 0.137 0.000 3.243 2541 T HA 0.200 4.551 4.350 0.001 0.000 0.264 2541 T C 0.307 174.695 174.700 -0.519 0.000 1.000 2541 T CA -0.525 61.591 62.100 0.025 0.000 0.901 2541 T CB -0.180 68.715 68.868 0.045 0.000 1.083 2541 T HN 0.489 nan 8.240 nan 0.000 0.559 2542 N N 0.574 118.652 118.700 -1.038 0.000 3.355 2542 N HA 0.215 4.956 4.740 0.001 0.000 0.238 2542 N C -1.341 173.575 175.510 -0.990 0.000 1.466 2542 N CA -0.740 51.295 53.050 -1.692 0.000 0.882 2542 N CB 1.441 39.532 38.487 -0.660 0.000 1.406 2542 N HN 0.173 nan 8.380 nan 0.000 0.500 2543 R N 0.276 120.489 120.500 -0.478 0.000 2.566 2543 R HA 0.071 4.411 4.340 0.001 0.000 0.273 2543 R C 0.073 176.456 176.300 0.138 0.000 0.981 2543 R CA 0.140 56.283 56.100 0.072 0.000 1.091 2543 R CB 0.132 30.415 30.300 -0.029 0.000 0.924 2543 R HN 0.281 nan 8.270 nan 0.000 0.411 2544 V N 4.497 124.535 119.914 0.207 0.000 2.370 2544 V HA 0.158 4.279 4.120 0.001 0.000 0.279 2544 V C -0.351 175.840 176.094 0.162 0.000 1.029 2544 V CA -0.166 62.225 62.300 0.152 0.000 0.870 2544 V CB 0.873 32.805 31.823 0.182 0.000 0.984 2544 V HN 0.767 nan 8.190 nan 0.000 0.451 2545 Y N 3.857 124.195 120.300 0.065 0.000 2.522 2545 Y HA 0.283 4.834 4.550 0.001 0.000 0.277 2545 Y C 1.508 177.440 175.900 0.054 0.000 1.104 2545 Y CA 0.591 58.744 58.100 0.088 0.000 1.260 2545 Y CB 0.724 39.226 38.460 0.071 0.000 1.151 2545 Y HN 0.792 nan 8.280 nan 0.000 0.539 2546 S N -0.084 115.734 115.700 0.197 0.000 2.568 2546 S HA 0.747 5.217 4.470 0.001 0.000 0.293 2546 S C -1.160 173.517 174.600 0.128 0.000 1.089 2546 S CA -0.780 57.504 58.200 0.140 0.000 0.945 2546 S CB 2.290 65.565 63.200 0.125 0.000 1.077 2546 S HN 0.102 nan 8.310 nan 0.000 0.485 2547 L N 0.985 122.277 121.223 0.114 0.000 2.376 2547 L HA 0.669 5.010 4.340 0.001 0.000 0.258 2547 L C -1.226 175.722 176.870 0.129 0.000 1.013 2547 L CA -0.647 54.269 54.840 0.128 0.000 0.822 2547 L CB 2.300 44.421 42.059 0.102 0.000 1.388 2547 L HN 0.666 nan 8.230 nan 0.000 0.413 2548 Q N 1.752 121.659 119.800 0.178 0.000 2.391 2548 Q HA 0.512 4.853 4.340 0.001 0.000 0.279 2548 Q C -1.837 174.361 176.000 0.330 0.000 1.028 2548 Q CA -0.482 55.443 55.803 0.202 0.000 0.836 2548 Q CB 3.497 32.345 28.738 0.183 0.000 1.414 2548 Q HN 0.425 nan 8.270 nan 0.000 0.397 2549 F N 2.531 122.546 119.950 0.109 0.000 2.605 2549 F HA 0.291 4.819 4.527 0.001 0.000 0.320 2549 F C -0.928 174.943 175.800 0.118 0.000 1.159 2549 F CA -1.170 56.904 58.000 0.123 0.000 0.999 2549 F CB 1.230 40.298 39.000 0.114 0.000 1.258 2549 F HN 0.515 nan 8.300 nan 0.000 0.464 2550 D N 2.332 122.555 120.400 -0.296 0.000 2.462 2550 D HA 0.363 5.004 4.640 0.001 0.000 0.221 2550 D C 1.435 177.383 176.300 -0.586 0.000 1.173 2550 D CA 0.397 54.200 54.000 -0.329 0.000 0.831 2550 D CB 0.416 41.189 40.800 -0.045 0.000 1.001 2550 D HN 1.043 nan 8.370 nan 0.000 0.499 2551 G N 0.376 108.364 108.800 -1.353 0.000 2.241 2551 G HA2 -0.322 3.639 3.960 0.001 0.000 0.244 2551 G HA3 -0.322 3.639 3.960 0.001 0.000 0.244 2551 G C 0.862 175.562 174.900 -0.333 0.000 0.998 2551 G CA 0.453 45.042 45.100 -0.851 0.000 0.621 2551 G HN 0.433 nan 8.290 nan 0.000 0.519 2552 I N -0.759 119.648 120.570 -0.271 0.000 3.873 2552 I HA 0.288 4.459 4.170 0.001 0.000 0.284 2552 I C 0.758 176.748 176.117 -0.212 0.000 1.186 2552 I CA -0.081 61.080 61.300 -0.233 0.000 1.362 2552 I CB 0.420 38.176 38.000 -0.406 0.000 1.432 2552 I HN 0.149 nan 8.210 nan 0.000 0.454 2553 H N 0.874 120.042 119.070 0.164 0.000 2.469 2553 H HA 0.511 5.068 4.556 0.001 0.000 0.342 2553 H C -0.702 174.870 175.328 0.407 0.000 1.115 2553 H CA -0.635 55.559 56.048 0.244 0.000 1.204 2553 H CB 2.571 32.435 29.762 0.170 0.000 1.492 2553 H HN -0.113 nan 8.280 nan 0.000 0.499 2554 V N 3.314 123.544 119.914 0.527 0.000 2.483 2554 V HA 0.615 4.736 4.120 0.001 0.000 0.295 2554 V C -0.938 175.438 176.094 0.470 0.000 1.035 2554 V CA -0.497 62.079 62.300 0.461 0.000 0.896 2554 V CB 1.253 33.173 31.823 0.162 0.000 0.986 2554 V HN 0.542 nan 8.190 nan 0.000 0.447 2555 V N 6.356 126.491 119.914 0.367 0.000 2.487 2555 V HA 0.687 4.808 4.120 0.001 0.000 0.298 2555 V C 0.082 176.349 176.094 0.289 0.000 1.028 2555 V CA -0.005 62.469 62.300 0.290 0.000 0.860 2555 V CB 1.809 33.735 31.823 0.171 0.000 0.991 2555 V HN 1.168 nan 8.190 nan 0.000 0.427 2556 S N 2.819 118.737 115.700 0.364 0.000 2.513 2556 S HA 0.883 5.353 4.470 0.001 0.000 0.299 2556 S C -0.134 174.626 174.600 0.267 0.000 1.087 2556 S CA -0.576 57.851 58.200 0.378 0.000 1.012 2556 S CB 2.035 65.606 63.200 0.620 0.000 1.044 2556 S HN 1.077 nan 8.310 nan 0.000 0.485 2557 G N 0.431 109.304 108.800 0.122 0.000 2.478 2557 G HA2 0.581 4.542 3.960 0.001 0.000 0.317 2557 G HA3 0.581 4.542 3.960 0.001 0.000 0.317 2557 G C -0.740 174.095 174.900 -0.109 0.000 1.259 2557 G CA -0.580 44.517 45.100 -0.006 0.000 0.933 2557 G HN 0.782 nan 8.290 nan 0.000 0.478 2558 S N 1.353 116.875 115.700 -0.296 0.000 2.689 2558 S HA 0.411 4.881 4.470 0.001 0.000 0.306 2558 S C 1.120 175.623 174.600 -0.161 0.000 1.104 2558 S CA -0.822 57.209 58.200 -0.283 0.000 0.973 2558 S CB 1.563 64.369 63.200 -0.657 0.000 1.121 2558 S HN 0.533 nan 8.310 nan 0.000 0.523 2559 L N 1.525 122.684 121.223 -0.107 0.000 2.552 2559 L HA 0.073 4.414 4.340 0.001 0.000 0.227 2559 L C 1.194 177.970 176.870 -0.158 0.000 1.146 2559 L CA 1.135 55.880 54.840 -0.157 0.000 0.858 2559 L CB -0.250 41.750 42.059 -0.099 0.000 0.969 2559 L HN 0.819 nan 8.230 nan 0.000 0.451 2560 D N -2.131 118.167 120.400 -0.170 0.000 2.349 2560 D HA -0.099 4.542 4.640 0.001 0.000 0.224 2560 D C 0.991 177.252 176.300 -0.065 0.000 1.029 2560 D CA 0.882 54.807 54.000 -0.125 0.000 0.879 2560 D CB 0.227 40.959 40.800 -0.113 0.000 0.906 2560 D HN 0.208 nan 8.370 nan 0.000 0.528 2561 T N -1.876 112.636 114.554 -0.069 0.000 7.990 2561 T HA -0.191 4.160 4.350 0.001 0.000 0.305 2561 T C 0.385 175.105 174.700 0.034 0.000 2.080 2561 T CA 1.248 63.343 62.100 -0.008 0.000 3.423 2561 T CB -1.795 67.081 68.868 0.014 0.000 1.630 2561 T HN 0.641 nan 8.240 nan 0.000 0.911 2562 S N 0.440 116.149 115.700 0.015 0.000 2.693 2562 S HA 0.813 5.284 4.470 0.001 0.000 0.276 2562 S C -0.343 174.280 174.600 0.037 0.000 1.192 2562 S CA -0.897 57.330 58.200 0.044 0.000 0.994 2562 S CB 1.720 64.975 63.200 0.091 0.000 1.012 2562 S HN 0.450 nan 8.310 nan 0.000 0.550 2563 I N 0.871 121.436 120.570 -0.008 0.000 2.478 2563 I HA 0.438 4.609 4.170 0.001 0.000 0.287 2563 I C -0.060 176.012 176.117 -0.074 0.000 1.042 2563 I CA -0.539 60.741 61.300 -0.034 0.000 1.067 2563 I CB 1.911 39.753 38.000 -0.264 0.000 1.233 2563 I HN 0.555 nan 8.210 nan 0.000 0.431 2564 R N 4.608 125.124 120.500 0.028 0.000 2.532 2564 R HA 0.725 5.065 4.340 0.001 0.000 0.295 2564 R C -1.204 174.872 176.300 -0.374 0.000 0.968 2564 R CA -0.867 55.008 56.100 -0.374 0.000 0.916 2564 R CB 2.612 32.393 30.300 -0.865 0.000 1.124 2564 R HN 0.287 nan 8.270 nan 0.000 0.463 2565 V N 3.504 123.142 119.914 -0.459 0.000 2.357 2565 V HA 0.381 4.502 4.120 0.001 0.000 0.284 2565 V C -1.014 174.945 176.094 -0.225 0.000 1.018 2565 V CA -0.644 61.548 62.300 -0.180 0.000 0.841 2565 V CB 0.790 32.581 31.823 -0.052 0.000 0.991 2565 V HN 0.659 nan 8.190 nan 0.000 0.437 2566 W N 1.788 123.123 121.300 0.058 0.000 2.799 2566 W HA 0.567 5.228 4.660 0.001 0.000 0.349 2566 W C -0.266 176.305 176.519 0.088 0.000 1.100 2566 W CA -1.069 56.292 57.345 0.027 0.000 1.174 2566 W CB 0.639 30.083 29.460 -0.028 0.000 1.427 2566 W HN 0.428 nan 8.180 nan 0.000 0.547 2567 D N 0.750 121.317 120.400 0.278 0.000 2.380 2567 D HA 0.156 4.796 4.640 0.001 0.000 0.230 2567 D C 0.869 177.202 176.300 0.055 0.000 1.154 2567 D CA -0.205 53.880 54.000 0.141 0.000 0.859 2567 D CB 1.583 42.425 40.800 0.070 0.000 1.045 2567 D HN 0.201 nan 8.370 nan 0.000 0.495 2568 V N 4.128 124.092 119.914 0.084 0.000 2.453 2568 V HA -0.201 3.919 4.120 0.001 0.000 0.252 2568 V C 2.133 178.228 176.094 0.001 0.000 1.068 2568 V CA 1.449 63.779 62.300 0.050 0.000 1.070 2568 V CB -0.399 31.561 31.823 0.228 0.000 0.664 2568 V HN 0.549 nan 8.190 nan 0.000 0.461 2569 E N 0.678 120.890 120.200 0.019 0.000 2.107 2569 E HA -0.118 4.233 4.350 0.001 0.000 0.191 2569 E C 2.407 179.036 176.600 0.048 0.000 0.982 2569 E CA 1.869 58.301 56.400 0.053 0.000 0.809 2569 E CB -0.296 29.426 29.700 0.037 0.000 0.756 2569 E HN 0.833 nan 8.360 nan 0.000 0.459 2570 T N -4.296 110.212 114.554 -0.076 0.000 2.990 2570 T HA 0.335 4.685 4.350 0.001 0.000 0.250 2570 T C 1.549 176.034 174.700 -0.358 0.000 1.041 2570 T CA 0.782 62.827 62.100 -0.092 0.000 1.010 2570 T CB 0.732 69.585 68.868 -0.026 0.000 1.003 2570 T HN 0.205 nan 8.240 nan 0.000 0.499 2571 G N 1.779 110.233 108.800 -0.577 0.000 2.179 2571 G HA2 -0.268 3.693 3.960 0.001 0.000 0.260 2571 G HA3 -0.268 3.693 3.960 0.001 0.000 0.260 2571 G C -0.095 174.754 174.900 -0.085 0.000 0.977 2571 G CA -0.004 44.740 45.100 -0.593 0.000 0.641 2571 G HN 0.689 nan 8.290 nan 0.000 0.533 2572 N N 0.022 118.716 118.700 -0.010 0.000 2.497 2572 N HA 0.354 5.094 4.740 0.001 0.000 0.268 2572 N C 0.416 176.025 175.510 0.164 0.000 1.171 2572 N CA 0.098 53.194 53.050 0.077 0.000 0.948 2572 N CB 0.982 39.477 38.487 0.015 0.000 1.069 2572 N HN 0.327 nan 8.380 nan 0.000 0.460 2573 C N 3.800 123.167 119.300 0.112 0.000 2.585 2573 C HA 0.219 4.680 4.460 0.001 0.000 0.406 2573 C C 1.648 176.502 174.990 -0.226 0.000 1.312 2573 C CA -0.420 58.476 59.018 -0.203 0.000 1.924 2573 C CB -1.274 26.169 27.740 -0.495 0.000 2.578 2573 C HN 0.745 nan 8.230 nan 0.000 0.580 2574 I N 3.953 124.352 120.570 -0.284 0.000 3.081 2574 I HA 0.175 4.346 4.170 0.001 0.000 0.274 2574 I C 0.575 176.293 176.117 -0.666 0.000 1.178 2574 I CA 0.605 61.668 61.300 -0.394 0.000 1.460 2574 I CB -0.184 37.619 38.000 -0.329 0.000 1.137 2574 I HN 0.636 nan 8.210 nan 0.000 0.443 2575 H N -0.083 118.842 119.070 -0.242 0.000 2.996 2575 H HA 0.367 4.924 4.556 0.001 0.000 0.368 2575 H C -1.054 174.082 175.328 -0.320 0.000 1.185 2575 H CA -0.554 55.355 56.048 -0.232 0.000 1.160 2575 H CB 2.135 31.774 29.762 -0.205 0.000 1.820 2575 H HN -0.234 nan 8.280 nan 0.000 0.547 2576 T N 3.720 118.201 114.554 -0.121 0.000 2.912 2576 T HA 0.315 4.666 4.350 0.001 0.000 0.326 2576 T C 0.481 175.093 174.700 -0.147 0.000 1.080 2576 T CA -0.627 61.360 62.100 -0.187 0.000 1.000 2576 T CB 0.012 68.783 68.868 -0.162 0.000 1.008 2576 T HN 0.204 nan 8.240 nan 0.000 0.473 2577 L N 4.715 125.788 121.223 -0.250 0.000 2.325 2577 L HA 0.389 4.729 4.340 0.001 0.000 0.284 2577 L C 1.102 177.850 176.870 -0.205 0.000 1.089 2577 L CA -0.505 54.112 54.840 -0.372 0.000 0.836 2577 L CB -0.007 41.458 42.059 -0.989 0.000 1.184 2577 L HN 0.609 nan 8.230 nan 0.000 0.444 2578 T N -1.150 113.399 114.554 -0.009 0.000 2.940 2578 T HA 0.812 5.162 4.350 0.001 0.000 0.288 2578 T C 0.716 175.518 174.700 0.170 0.000 1.033 2578 T CA 0.068 62.210 62.100 0.069 0.000 1.033 2578 T CB 2.384 71.276 68.868 0.040 0.000 1.079 2578 T HN 0.748 nan 8.240 nan 0.000 0.496 2579 G N 0.076 108.949 108.800 0.122 0.000 3.345 2579 G HA2 -0.084 3.876 3.960 0.001 0.000 0.199 2579 G HA3 -0.084 3.876 3.960 0.001 0.000 0.199 2579 G C 0.113 175.038 174.900 0.040 0.000 1.057 2579 G CA -0.516 44.620 45.100 0.061 0.000 0.865 2579 G HN 0.886 nan 8.290 nan 0.000 0.449 2580 H N 0.857 120.008 119.070 0.136 0.000 2.730 2580 H HA 0.404 4.961 4.556 0.001 0.000 0.376 2580 H C 0.984 176.331 175.328 0.032 0.000 1.299 2580 H CA 0.655 56.751 56.048 0.079 0.000 1.447 2580 H CB 0.903 30.723 29.762 0.097 0.000 1.493 2580 H HN 0.294 nan 8.280 nan 0.000 0.619 2581 Q N -0.141 119.759 119.800 0.167 0.000 2.185 2581 Q HA 0.165 4.506 4.340 0.001 0.000 0.234 2581 Q C 0.410 176.424 176.000 0.023 0.000 0.819 2581 Q CA 0.050 55.895 55.803 0.069 0.000 0.961 2581 Q CB 1.434 30.201 28.738 0.048 0.000 1.140 2581 Q HN 0.414 nan 8.270 nan 0.000 0.492 2582 S N -0.651 115.049 115.700 0.000 0.000 3.144 2582 S HA 0.435 4.906 4.470 0.001 0.000 0.325 2582 S C -1.311 173.218 174.600 -0.118 0.000 1.161 2582 S CA -0.630 57.533 58.200 -0.062 0.000 0.920 2582 S CB 0.358 63.518 63.200 -0.066 0.000 1.340 2582 S HN 0.212 nan 8.310 nan 0.000 0.681 2583 L N 2.744 123.863 121.223 -0.174 0.000 2.477 2583 L HA 0.289 4.630 4.340 0.001 0.000 0.272 2583 L C -0.522 176.203 176.870 -0.242 0.000 1.157 2583 L CA 0.390 55.080 54.840 -0.250 0.000 0.889 2583 L CB 0.839 42.674 42.059 -0.372 0.000 1.158 2583 L HN 0.695 nan 8.230 nan 0.000 0.473 2584 T N 3.431 117.856 114.554 -0.214 0.000 2.782 2584 T HA 0.077 4.428 4.350 0.001 0.000 0.298 2584 T C 1.275 175.908 174.700 -0.110 0.000 0.944 2584 T CA 0.035 62.018 62.100 -0.195 0.000 1.001 2584 T CB 0.764 69.552 68.868 -0.132 0.000 0.932 2584 T HN 0.860 nan 8.240 nan 0.000 0.524 2585 S N 2.707 118.346 115.700 -0.101 0.000 2.377 2585 S HA 0.211 4.682 4.470 0.001 0.000 0.223 2585 S C 1.137 175.767 174.600 0.050 0.000 1.030 2585 S CA 0.038 58.225 58.200 -0.023 0.000 0.970 2585 S CB 0.137 63.321 63.200 -0.028 0.000 0.830 2585 S HN 0.696 nan 8.310 nan 0.000 0.473 2586 G N 0.429 109.251 108.800 0.036 0.000 2.620 2586 G HA2 0.721 4.681 3.960 0.001 0.000 0.301 2586 G HA3 0.721 4.681 3.960 0.001 0.000 0.301 2586 G C -1.245 173.705 174.900 0.083 0.000 1.347 2586 G CA -0.953 44.192 45.100 0.075 0.000 0.971 2586 G HN 0.267 nan 8.290 nan 0.000 0.488 2587 M N 0.631 120.298 119.600 0.112 0.000 2.575 2587 M HA 0.519 5.000 4.480 0.001 0.000 0.284 2587 M C -1.462 174.939 176.300 0.168 0.000 1.253 2587 M CA -0.922 54.457 55.300 0.132 0.000 0.861 2587 M CB 3.138 35.809 32.600 0.120 0.000 1.733 2587 M HN 0.300 nan 8.290 nan 0.000 0.462 2588 E N 2.149 122.478 120.200 0.216 0.000 2.290 2588 E HA 0.582 4.933 4.350 0.001 0.000 0.274 2588 E C -1.927 174.891 176.600 0.363 0.000 0.889 2588 E CA -0.690 55.897 56.400 0.312 0.000 0.760 2588 E CB 3.194 33.179 29.700 0.474 0.000 1.206 2588 E HN 0.504 nan 8.360 nan 0.000 0.419 2589 L N 2.200 123.603 121.223 0.301 0.000 2.346 2589 L HA 0.651 4.992 4.340 0.001 0.000 0.274 2589 L C -1.202 175.824 176.870 0.260 0.000 1.007 2589 L CA -0.296 54.708 54.840 0.273 0.000 0.818 2589 L CB 1.333 43.507 42.059 0.193 0.000 1.284 2589 L HN 0.480 nan 8.230 nan 0.000 0.424 2590 K N 3.056 123.627 120.400 0.285 0.000 2.587 2590 K HA 0.315 4.636 4.320 0.001 0.000 0.256 2590 K C -1.042 175.661 176.600 0.171 0.000 0.974 2590 K CA -0.322 56.073 56.287 0.181 0.000 0.855 2590 K CB 0.887 33.436 32.500 0.081 0.000 1.292 2590 K HN 0.651 nan 8.250 nan 0.000 0.444 2591 D N 3.561 124.025 120.400 0.107 0.000 2.708 2591 D HA -0.199 4.441 4.640 0.001 0.000 0.236 2591 D C -0.531 175.830 176.300 0.101 0.000 1.146 2591 D CA 1.653 55.708 54.000 0.092 0.000 0.662 2591 D CB -0.711 40.136 40.800 0.077 0.000 1.059 2591 D HN 0.813 nan 8.370 nan 0.000 0.428 2592 N N -1.811 116.955 118.700 0.110 0.000 2.828 2592 N HA -0.227 4.513 4.740 0.001 0.000 0.248 2592 N C -0.319 175.234 175.510 0.071 0.000 1.044 2592 N CA 1.189 54.284 53.050 0.075 0.000 0.851 2592 N CB -1.129 37.392 38.487 0.056 0.000 1.136 2592 N HN 0.536 nan 8.380 nan 0.000 0.572 2593 I N 1.113 121.757 120.570 0.124 0.000 2.378 2593 I HA 0.350 4.521 4.170 0.001 0.000 0.291 2593 I C -0.053 176.139 176.117 0.125 0.000 0.992 2593 I CA -0.806 60.560 61.300 0.110 0.000 1.154 2593 I CB 1.675 39.758 38.000 0.138 0.000 1.315 2593 I HN -0.059 nan 8.210 nan 0.000 0.448 2594 L N 8.292 129.562 121.223 0.078 0.000 2.346 2594 L HA 0.692 5.033 4.340 0.001 0.000 0.276 2594 L C -1.123 175.788 176.870 0.068 0.000 1.006 2594 L CA -0.393 54.509 54.840 0.103 0.000 0.817 2594 L CB 1.894 44.025 42.059 0.119 0.000 1.272 2594 L HN 0.288 nan 8.230 nan 0.000 0.421 2595 V N 3.357 123.244 119.914 -0.044 0.000 2.531 2595 V HA 0.671 4.792 4.120 0.001 0.000 0.301 2595 V C -0.451 175.708 176.094 0.109 0.000 1.034 2595 V CA -0.401 61.843 62.300 -0.094 0.000 0.865 2595 V CB 1.726 33.280 31.823 -0.449 0.000 0.995 2595 V HN 0.884 nan 8.190 nan 0.000 0.424 2596 S N 2.730 118.571 115.700 0.234 0.000 2.482 2596 S HA 0.851 5.322 4.470 0.001 0.000 0.303 2596 S C -0.056 174.627 174.600 0.138 0.000 1.091 2596 S CA -0.492 57.857 58.200 0.249 0.000 1.057 2596 S CB 1.896 65.373 63.200 0.463 0.000 1.031 2596 S HN 1.104 nan 8.310 nan 0.000 0.485 2597 G N 1.749 110.567 108.800 0.030 0.000 2.356 2597 G HA2 0.512 4.472 3.960 0.001 0.000 0.322 2597 G HA3 0.512 4.472 3.960 0.001 0.000 0.322 2597 G C -0.865 173.943 174.900 -0.153 0.000 1.125 2597 G CA -0.640 44.440 45.100 -0.033 0.000 0.885 2597 G HN 0.725 nan 8.290 nan 0.000 0.467 2598 N N 0.929 119.506 118.700 -0.206 0.000 2.229 2598 N HA 0.374 5.114 4.740 0.001 0.000 0.298 2598 N C 0.990 176.410 175.510 -0.150 0.000 1.114 2598 N CA -0.174 52.698 53.050 -0.298 0.000 0.776 2598 N CB 2.352 40.431 38.487 -0.679 0.000 1.501 2598 N HN 0.353 nan 8.380 nan 0.000 0.474 2599 A N 1.338 124.073 122.820 -0.140 0.000 2.125 2599 A HA -0.173 4.148 4.320 0.001 0.000 0.219 2599 A C 1.024 178.578 177.584 -0.050 0.000 1.156 2599 A CA 1.715 53.699 52.037 -0.089 0.000 0.671 2599 A CB -0.508 18.429 19.000 -0.105 0.000 0.794 2599 A HN 0.796 nan 8.150 nan 0.000 0.459 2600 D N -0.853 119.523 120.400 -0.040 0.000 2.352 2600 D HA -0.023 4.618 4.640 0.001 0.000 0.232 2600 D C 0.885 177.203 176.300 0.030 0.000 1.055 2600 D CA 1.129 55.133 54.000 0.008 0.000 0.891 2600 D CB -0.661 40.167 40.800 0.047 0.000 0.897 2600 D HN 0.790 nan 8.370 nan 0.000 0.529 2601 S N -3.534 112.178 115.700 0.021 0.000 2.857 2601 S HA -0.222 4.248 4.470 0.001 0.000 0.268 2601 S C 0.374 175.035 174.600 0.101 0.000 1.297 2601 S CA 1.179 59.417 58.200 0.064 0.000 1.280 2601 S CB -2.772 60.481 63.200 0.089 0.000 1.562 2601 S HN 0.377 nan 8.310 nan 0.000 0.661 2602 T N 1.576 116.175 114.554 0.075 0.000 2.927 2602 T HA 0.721 5.072 4.350 0.001 0.000 0.281 2602 T C -0.237 174.505 174.700 0.070 0.000 0.998 2602 T CA 0.012 62.153 62.100 0.068 0.000 1.019 2602 T CB 1.732 70.660 68.868 0.100 0.000 1.061 2602 T HN 0.558 nan 8.240 nan 0.000 0.518 2603 V N 2.305 122.190 119.914 -0.048 0.000 2.789 2603 V HA 0.539 4.659 4.120 0.001 0.000 0.311 2603 V C -0.534 175.458 176.094 -0.170 0.000 1.073 2603 V CA -0.841 61.416 62.300 -0.073 0.000 0.921 2603 V CB 2.180 33.858 31.823 -0.242 0.000 1.009 2603 V HN 0.723 nan 8.190 nan 0.000 0.426 2604 K N 4.221 124.550 120.400 -0.118 0.000 2.375 2604 K HA 0.709 5.030 4.320 0.001 0.000 0.249 2604 K C -1.480 174.795 176.600 -0.542 0.000 0.942 2604 K CA -0.733 55.263 56.287 -0.485 0.000 0.806 2604 K CB 2.908 34.897 32.500 -0.852 0.000 1.227 2604 K HN 0.487 nan 8.250 nan 0.000 0.430 2605 I N 2.139 122.289 120.570 -0.700 0.000 2.389 2605 I HA 0.405 4.576 4.170 0.001 0.000 0.288 2605 I C -1.171 174.634 176.117 -0.519 0.000 0.999 2605 I CA -0.767 60.246 61.300 -0.479 0.000 1.129 2605 I CB 0.785 38.575 38.000 -0.350 0.000 1.288 2605 I HN 0.451 nan 8.210 nan 0.000 0.444 2606 W N 4.036 125.235 121.300 -0.169 0.000 2.799 2606 W HA 0.422 5.083 4.660 0.001 0.000 0.349 2606 W C -0.387 176.051 176.519 -0.136 0.000 1.100 2606 W CA -0.733 56.523 57.345 -0.149 0.000 1.174 2606 W CB 0.642 30.017 29.460 -0.141 0.000 1.427 2606 W HN 0.265 nan 8.180 nan 0.000 0.547 2607 D N 2.393 122.859 120.400 0.110 0.000 2.454 2607 D HA 0.150 4.791 4.640 0.001 0.000 0.225 2607 D C 0.782 177.049 176.300 -0.054 0.000 1.081 2607 D CA -0.445 53.563 54.000 0.014 0.000 0.864 2607 D CB 0.795 41.585 40.800 -0.017 0.000 1.040 2607 D HN 0.551 nan 8.370 nan 0.000 0.517 2608 I N 0.588 121.117 120.570 -0.067 0.000 3.334 2608 I HA -0.001 4.170 4.170 0.001 0.000 0.282 2608 I C 1.410 177.437 176.117 -0.149 0.000 1.313 2608 I CA 0.189 61.394 61.300 -0.159 0.000 1.396 2608 I CB 0.140 38.040 38.000 -0.166 0.000 1.054 2608 I HN 0.044 nan 8.210 nan 0.000 0.495 2609 K N 1.308 121.657 120.400 -0.085 0.000 2.067 2609 K HA -0.021 4.300 4.320 0.001 0.000 0.203 2609 K C 2.189 178.842 176.600 0.087 0.000 1.048 2609 K CA 1.803 58.100 56.287 0.016 0.000 0.954 2609 K CB 0.001 32.517 32.500 0.025 0.000 0.737 2609 K HN 0.562 nan 8.250 nan 0.000 0.444 2610 T N -3.626 110.896 114.554 -0.053 0.000 3.037 2610 T HA 0.167 4.518 4.350 0.001 0.000 0.252 2610 T C 1.404 175.920 174.700 -0.308 0.000 1.073 2610 T CA 0.688 62.750 62.100 -0.063 0.000 1.091 2610 T CB 0.655 69.500 68.868 -0.038 0.000 0.935 2610 T HN 0.333 nan 8.240 nan 0.000 0.488 2611 G N 1.094 109.545 108.800 -0.583 0.000 2.176 2611 G HA2 -0.277 3.683 3.960 0.001 0.000 0.253 2611 G HA3 -0.277 3.683 3.960 0.001 0.000 0.253 2611 G C -0.100 174.701 174.900 -0.165 0.000 0.979 2611 G CA 0.233 44.925 45.100 -0.681 0.000 0.641 2611 G HN 0.912 nan 8.290 nan 0.000 0.530 2612 Q N 0.040 119.787 119.800 -0.088 0.000 2.352 2612 Q HA 0.403 4.744 4.340 0.001 0.000 0.260 2612 Q C 0.523 176.545 176.000 0.037 0.000 0.976 2612 Q CA -0.021 55.772 55.803 -0.017 0.000 0.881 2612 Q CB 0.679 29.393 28.738 -0.040 0.000 1.235 2612 Q HN 0.621 nan 8.270 nan 0.000 0.419 2613 C N 7.020 126.302 119.300 -0.030 0.000 2.192 2613 C HA 0.303 4.764 4.460 0.001 0.000 0.337 2613 C C 1.483 176.298 174.990 -0.291 0.000 1.103 2613 C CA -0.658 58.190 59.018 -0.283 0.000 1.581 2613 C CB -1.662 25.777 27.740 -0.501 0.000 2.070 2613 C HN 1.079 nan 8.230 nan 0.000 0.485 2614 L N 3.214 124.284 121.223 -0.255 0.000 2.042 2614 L HA -0.048 4.293 4.340 0.001 0.000 0.210 2614 L C 1.199 177.931 176.870 -0.230 0.000 1.076 2614 L CA 1.406 56.127 54.840 -0.198 0.000 0.749 2614 L CB -0.394 41.571 42.059 -0.156 0.000 0.893 2614 L HN 0.665 nan 8.230 nan 0.000 0.432 2615 Q N -1.274 118.327 119.800 -0.332 0.000 2.472 2615 Q HA 0.386 4.726 4.340 0.001 0.000 0.281 2615 Q C -1.169 174.591 176.000 -0.399 0.000 0.997 2615 Q CA -0.262 55.364 55.803 -0.294 0.000 0.828 2615 Q CB 2.436 31.041 28.738 -0.222 0.000 1.443 2615 Q HN -0.127 nan 8.270 nan 0.000 0.390 2616 T N 1.651 116.013 114.554 -0.321 0.000 2.809 2616 T HA 0.512 4.863 4.350 0.001 0.000 0.284 2616 T C -0.046 174.478 174.700 -0.292 0.000 0.992 2616 T CA -0.529 61.367 62.100 -0.339 0.000 0.957 2616 T CB 0.499 69.198 68.868 -0.282 0.000 0.942 2616 T HN 0.265 nan 8.240 nan 0.000 0.439 2617 L N 5.181 126.147 121.223 -0.427 0.000 2.334 2617 L HA 0.385 4.726 4.340 0.001 0.000 0.286 2617 L C 0.888 177.481 176.870 -0.462 0.000 1.108 2617 L CA -0.231 54.185 54.840 -0.705 0.000 0.875 2617 L CB -0.227 40.901 42.059 -1.553 0.000 1.246 2617 L HN 0.757 nan 8.230 nan 0.000 0.439 2618 Q N 2.639 122.401 119.800 -0.063 0.000 3.042 2618 Q HA 0.818 5.159 4.340 0.001 0.000 0.293 2618 Q C 0.253 176.372 176.000 0.198 0.000 1.017 2618 Q CA -0.486 55.370 55.803 0.087 0.000 0.647 2618 Q CB 1.130 29.871 28.738 0.005 0.000 3.832 2618 Q HN 0.439 nan 8.270 nan 0.000 0.295 2619 G N 0.410 109.259 108.800 0.082 0.000 2.728 2619 G HA2 -0.165 3.796 3.960 0.001 0.000 0.294 2619 G HA3 -0.165 3.796 3.960 0.001 0.000 0.294 2619 G C -2.291 172.592 174.900 -0.029 0.000 1.342 2619 G CA -0.323 44.803 45.100 0.043 0.000 0.866 2619 G HN 0.434 nan 8.290 nan 0.000 0.534 2620 P HA -0.016 nan 4.420 nan 0.000 0.219 2620 P C 1.107 178.270 177.300 -0.229 0.000 1.146 2620 P CA 1.455 64.486 63.100 -0.115 0.000 0.808 2620 P CB 0.037 31.682 31.700 -0.093 0.000 0.779 2621 N N -0.576 117.880 118.700 -0.407 0.000 2.321 2621 N HA 0.046 4.787 4.740 0.001 0.000 0.242 2621 N C 0.274 175.397 175.510 -0.645 0.000 1.141 2621 N CA -0.012 52.569 53.050 -0.782 0.000 0.864 2621 N CB 0.328 37.727 38.487 -1.813 0.000 1.100 2621 N HN 0.399 nan 8.380 nan 0.000 0.510 2622 K N 0.185 120.459 120.400 -0.210 0.000 2.187 2622 K HA 0.125 4.446 4.320 0.001 0.000 0.247 2622 K C 0.091 176.663 176.600 -0.047 0.000 1.019 2622 K CA -0.153 56.160 56.287 0.043 0.000 0.893 2622 K CB 0.714 33.276 32.500 0.104 0.000 1.025 2622 K HN 0.040 nan 8.250 nan 0.000 0.500 2623 H N 0.840 120.003 119.070 0.156 0.000 2.757 2623 H HA -0.019 4.538 4.556 0.001 0.000 0.370 2623 H C 0.606 175.959 175.328 0.041 0.000 1.172 2623 H CA 0.507 56.612 56.048 0.096 0.000 1.426 2623 H CB 1.224 31.059 29.762 0.122 0.000 1.438 2623 H HN 0.653 nan 8.280 nan 0.000 0.612 2624 Q N 0.533 120.431 119.800 0.164 0.000 2.391 2624 Q HA 0.079 4.419 4.340 0.001 0.000 0.211 2624 Q C 0.216 176.257 176.000 0.068 0.000 0.908 2624 Q CA 0.240 56.091 55.803 0.079 0.000 0.920 2624 Q CB 0.670 29.435 28.738 0.044 0.000 1.056 2624 Q HN 0.601 nan 8.270 nan 0.000 0.523 2625 S N -0.871 114.876 115.700 0.079 0.000 2.851 2625 S HA 0.730 5.200 4.470 0.001 0.000 0.313 2625 S C -0.504 174.108 174.600 0.019 0.000 1.163 2625 S CA -0.862 57.361 58.200 0.038 0.000 0.850 2625 S CB 0.884 64.097 63.200 0.022 0.000 1.245 2625 S HN 0.133 nan 8.310 nan 0.000 0.558 2626 A N 0.589 123.405 122.820 -0.007 0.000 2.561 2626 A HA 0.451 4.771 4.320 0.001 0.000 0.234 2626 A C 0.089 177.623 177.584 -0.084 0.000 1.055 2626 A CA -0.258 51.758 52.037 -0.035 0.000 0.756 2626 A CB -0.526 18.455 19.000 -0.031 0.000 0.986 2626 A HN 0.883 nan 8.150 nan 0.000 0.505 2627 V N 3.381 123.231 119.914 -0.107 0.000 2.455 2627 V HA 0.161 4.281 4.120 0.001 0.000 0.273 2627 V C 1.648 177.697 176.094 -0.076 0.000 1.045 2627 V CA 0.791 62.990 62.300 -0.167 0.000 0.976 2627 V CB 0.646 32.403 31.823 -0.110 0.000 0.993 2627 V HN 1.160 nan 8.190 nan 0.000 0.475 2628 T N 0.310 114.833 114.554 -0.052 0.000 3.051 2628 T HA 0.141 4.492 4.350 0.001 0.000 0.255 2628 T C 0.453 175.193 174.700 0.067 0.000 1.085 2628 T CA 0.174 62.296 62.100 0.036 0.000 1.109 2628 T CB 0.144 69.066 68.868 0.089 0.000 0.921 2628 T HN 0.589 nan 8.240 nan 0.000 0.488 2629 C N 0.677 120.010 119.300 0.056 0.000 3.292 2629 C HA 0.763 5.223 4.460 0.001 0.000 0.338 2629 C C -2.240 172.814 174.990 0.106 0.000 1.323 2629 C CA -1.202 57.873 59.018 0.094 0.000 1.232 2629 C CB 1.041 28.852 27.740 0.119 0.000 1.517 2629 C HN 0.868 nan 8.230 nan 0.000 0.470 2630 L N 1.582 122.886 121.223 0.135 0.000 2.653 2630 L HA 0.824 5.164 4.340 0.001 0.000 0.257 2630 L C -1.381 175.608 176.870 0.198 0.000 0.969 2630 L CA -0.262 54.677 54.840 0.165 0.000 0.869 2630 L CB 1.709 43.853 42.059 0.141 0.000 1.439 2630 L HN 0.622 nan 8.230 nan 0.000 0.414 2631 Q N 1.738 121.672 119.800 0.223 0.000 2.416 2631 Q HA 0.760 5.101 4.340 0.001 0.000 0.281 2631 Q C -1.621 174.561 176.000 0.304 0.000 1.067 2631 Q CA -0.324 55.613 55.803 0.223 0.000 0.809 2631 Q CB 3.291 32.122 28.738 0.155 0.000 1.418 2631 Q HN 0.828 nan 8.270 nan 0.000 0.411 2632 F N -0.272 119.705 119.950 0.045 0.000 2.693 2632 F HA 0.707 5.234 4.527 0.001 0.000 0.309 2632 F C -1.444 174.356 175.800 0.001 0.000 1.129 2632 F CA -0.825 57.191 58.000 0.028 0.000 0.948 2632 F CB 1.238 40.261 39.000 0.038 0.000 1.315 2632 F HN 0.631 nan 8.300 nan 0.000 0.447 2633 N N 0.071 118.756 118.700 -0.026 0.000 3.387 2633 N HA 0.308 5.048 4.740 0.001 0.000 0.322 2633 N C -0.382 175.132 175.510 0.006 0.000 1.588 2633 N CA -0.539 52.409 53.050 -0.169 0.000 0.778 2633 N CB 0.783 39.181 38.487 -0.149 0.000 1.883 2633 N HN 0.717 nan 8.380 nan 0.000 0.628 2634 K N -1.354 119.005 120.400 -0.068 0.000 2.362 2634 K HA 0.115 4.435 4.320 0.001 0.000 0.200 2634 K C 0.221 176.738 176.600 -0.138 0.000 1.046 2634 K CA 1.133 57.392 56.287 -0.047 0.000 0.952 2634 K CB -0.228 32.235 32.500 -0.062 0.000 0.753 2634 K HN 0.341 nan 8.250 nan 0.000 0.466 2635 N N -0.427 118.089 118.700 -0.306 0.000 2.545 2635 N HA 0.172 4.912 4.740 0.001 0.000 0.190 2635 N C -0.224 174.870 175.510 -0.694 0.000 1.043 2635 N CA 0.476 53.130 53.050 -0.659 0.000 0.879 2635 N CB 0.372 38.109 38.487 -1.250 0.000 1.210 2635 N HN 0.088 nan 8.380 nan 0.000 0.437 2636 F N -0.116 119.804 119.950 -0.050 0.000 2.631 2636 F HA 0.629 5.156 4.527 0.001 0.000 0.328 2636 F C -0.138 175.706 175.800 0.073 0.000 1.067 2636 F CA -1.190 56.798 58.000 -0.019 0.000 0.969 2636 F CB 1.460 40.378 39.000 -0.138 0.000 1.332 2636 F HN -0.440 nan 8.300 nan 0.000 0.490 2637 V N 2.345 122.479 119.914 0.368 0.000 2.588 2637 V HA 0.486 4.607 4.120 0.001 0.000 0.304 2637 V C -0.544 175.762 176.094 0.354 0.000 1.042 2637 V CA -0.719 61.761 62.300 0.300 0.000 0.877 2637 V CB 2.040 33.951 31.823 0.146 0.000 0.996 2637 V HN 0.523 nan 8.190 nan 0.000 0.425 2638 I N 4.274 125.013 120.570 0.281 0.000 2.389 2638 I HA 0.576 4.747 4.170 0.001 0.000 0.288 2638 I C 0.051 176.356 176.117 0.314 0.000 0.999 2638 I CA -0.246 61.221 61.300 0.278 0.000 1.129 2638 I CB 2.196 40.300 38.000 0.174 0.000 1.288 2638 I HN 0.745 nan 8.210 nan 0.000 0.444 2639 T N 1.607 116.416 114.554 0.426 0.000 2.863 2639 T HA 0.710 5.061 4.350 0.001 0.000 0.285 2639 T C -0.283 174.623 174.700 0.343 0.000 1.009 2639 T CA -0.770 61.566 62.100 0.394 0.000 0.989 2639 T CB 1.814 71.031 68.868 0.583 0.000 1.004 2639 T HN 0.559 nan 8.240 nan 0.000 0.455 2640 S N 1.342 117.123 115.700 0.135 0.000 2.607 2640 S HA 0.891 5.361 4.470 0.001 0.000 0.303 2640 S C -0.355 174.150 174.600 -0.159 0.000 1.086 2640 S CA -0.749 57.489 58.200 0.063 0.000 0.995 2640 S CB 1.787 65.033 63.200 0.077 0.000 1.084 2640 S HN 1.204 nan 8.310 nan 0.000 0.507 2641 S N -0.634 114.988 115.700 -0.130 0.000 2.656 2641 S HA 0.406 4.876 4.470 0.001 0.000 0.273 2641 S C -0.595 173.961 174.600 -0.073 0.000 1.168 2641 S CA -0.407 57.677 58.200 -0.193 0.000 0.817 2641 S CB 1.473 64.446 63.200 -0.379 0.000 1.146 2641 S HN 0.801 nan 8.310 nan 0.000 0.475 2642 D N 0.390 120.759 120.400 -0.052 0.000 2.349 2642 D HA 0.041 4.681 4.640 0.001 0.000 0.224 2642 D C 0.918 177.202 176.300 -0.027 0.000 1.029 2642 D CA 1.104 55.077 54.000 -0.046 0.000 0.879 2642 D CB -0.017 40.776 40.800 -0.010 0.000 0.906 2642 D HN 0.580 nan 8.370 nan 0.000 0.528 2643 D N -1.095 119.315 120.400 0.017 0.000 2.349 2643 D HA 0.084 4.725 4.640 0.001 0.000 0.224 2643 D C 1.625 177.938 176.300 0.022 0.000 1.029 2643 D CA 0.723 54.748 54.000 0.041 0.000 0.879 2643 D CB -0.450 40.414 40.800 0.106 0.000 0.906 2643 D HN 0.143 nan 8.370 nan 0.000 0.528 2644 G N -0.246 108.551 108.800 -0.006 0.000 2.143 2644 G HA2 -0.229 3.732 3.960 0.001 0.000 0.249 2644 G HA3 -0.229 3.732 3.960 0.001 0.000 0.249 2644 G C 0.360 175.267 174.900 0.012 0.000 0.981 2644 G CA 0.589 45.670 45.100 -0.031 0.000 0.665 2644 G HN 0.882 nan 8.290 nan 0.000 0.528 2645 T N -2.832 111.771 114.554 0.083 0.000 2.930 2645 T HA 0.769 5.120 4.350 0.001 0.000 0.290 2645 T C -0.607 174.214 174.700 0.202 0.000 1.052 2645 T CA -0.513 61.661 62.100 0.125 0.000 1.017 2645 T CB 3.070 72.020 68.868 0.137 0.000 1.137 2645 T HN 0.875 nan 8.240 nan 0.000 0.511 2646 V N 2.063 122.086 119.914 0.182 0.000 2.483 2646 V HA 0.509 4.629 4.120 0.001 0.000 0.297 2646 V C -0.321 175.898 176.094 0.208 0.000 1.027 2646 V CA -0.846 61.587 62.300 0.222 0.000 0.855 2646 V CB 1.630 33.549 31.823 0.161 0.000 0.995 2646 V HN 0.904 nan 8.190 nan 0.000 0.424 2647 K N 4.417 124.987 120.400 0.283 0.000 2.156 2647 K HA 0.652 4.973 4.320 0.001 0.000 0.250 2647 K C -1.164 175.458 176.600 0.038 0.000 0.955 2647 K CA -0.768 55.583 56.287 0.106 0.000 0.855 2647 K CB 2.546 35.073 32.500 0.045 0.000 1.101 2647 K HN 0.403 nan 8.250 nan 0.000 0.434 2648 L N 3.234 124.299 121.223 -0.263 0.000 2.313 2648 L HA 0.468 4.809 4.340 0.001 0.000 0.283 2648 L C -1.699 174.965 176.870 -0.344 0.000 1.013 2648 L CA -0.511 54.203 54.840 -0.209 0.000 0.816 2648 L CB 0.599 42.472 42.059 -0.310 0.000 1.236 2648 L HN 0.678 nan 8.230 nan 0.000 0.419 2649 W N 2.985 124.294 121.300 0.014 0.000 2.781 2649 W HA 0.345 5.006 4.660 0.001 0.000 0.345 2649 W C -0.089 176.519 176.519 0.148 0.000 1.085 2649 W CA -0.631 56.751 57.345 0.062 0.000 1.198 2649 W CB 0.858 30.376 29.460 0.096 0.000 1.423 2649 W HN 0.385 nan 8.180 nan 0.000 0.532 2650 D N 2.341 122.948 120.400 0.346 0.000 2.316 2650 D HA 0.030 4.671 4.640 0.001 0.000 0.245 2650 D C 0.685 177.073 176.300 0.146 0.000 1.171 2650 D CA -0.087 54.043 54.000 0.216 0.000 0.856 2650 D CB 1.523 42.400 40.800 0.129 0.000 1.090 2650 D HN 0.552 nan 8.370 nan 0.000 0.476 2651 L N 4.941 126.207 121.223 0.072 0.000 2.131 2651 L HA -0.125 4.216 4.340 0.001 0.000 0.210 2651 L C 2.047 178.905 176.870 -0.020 0.000 1.092 2651 L CA 1.373 56.224 54.840 0.018 0.000 0.759 2651 L CB 0.063 42.132 42.059 0.016 0.000 0.903 2651 L HN 0.320 nan 8.230 nan 0.000 0.435 2652 K N -1.152 119.231 120.400 -0.028 0.000 2.116 2652 K HA -0.057 4.264 4.320 0.001 0.000 0.203 2652 K C 1.793 178.382 176.600 -0.017 0.000 1.052 2652 K CA 1.690 57.959 56.287 -0.030 0.000 0.952 2652 K CB -0.106 32.370 32.500 -0.038 0.000 0.729 2652 K HN 0.522 nan 8.250 nan 0.000 0.446 2653 T N -3.604 110.954 114.554 0.007 0.000 3.014 2653 T HA 0.191 4.542 4.350 0.001 0.000 0.250 2653 T C 1.447 176.168 174.700 0.035 0.000 1.060 2653 T CA 0.349 62.461 62.100 0.020 0.000 1.040 2653 T CB 0.595 69.485 68.868 0.036 0.000 0.971 2653 T HN 0.282 nan 8.240 nan 0.000 0.497 2654 G N 1.374 110.206 108.800 0.053 0.000 2.155 2654 G HA2 -0.249 3.711 3.960 0.001 0.000 0.257 2654 G HA3 -0.249 3.711 3.960 0.001 0.000 0.257 2654 G C -0.231 174.797 174.900 0.214 0.000 0.983 2654 G CA 0.306 45.447 45.100 0.068 0.000 0.676 2654 G HN 0.669 nan 8.290 nan 0.000 0.528 2655 E N -0.919 119.420 120.200 0.232 0.000 2.283 2655 E HA 0.554 4.905 4.350 0.001 0.000 0.271 2655 E C 0.040 176.862 176.600 0.370 0.000 1.031 2655 E CA -1.029 55.539 56.400 0.280 0.000 0.868 2655 E CB 0.994 30.785 29.700 0.152 0.000 1.094 2655 E HN 0.262 nan 8.360 nan 0.000 0.401 2656 F N 2.544 122.552 119.950 0.096 0.000 2.484 2656 F HA 0.152 4.680 4.527 0.001 0.000 0.360 2656 F C 0.386 176.051 175.800 -0.225 0.000 1.101 2656 F CA 0.167 57.958 58.000 -0.347 0.000 1.251 2656 F CB 0.416 39.085 39.000 -0.552 0.000 1.132 2656 F HN 0.425 nan 8.300 nan 0.000 0.570 2657 I N 3.735 123.671 120.570 -1.057 0.000 3.196 2657 I HA 0.166 4.337 4.170 0.001 0.000 0.248 2657 I C 0.187 175.610 176.117 -1.157 0.000 1.105 2657 I CA -0.109 60.729 61.300 -0.770 0.000 1.482 2657 I CB 0.093 37.841 38.000 -0.420 0.000 1.400 2657 I HN 0.622 nan 8.210 nan 0.000 0.464 2658 R N 0.431 120.059 120.500 -1.452 0.000 2.752 2658 R HA 0.303 4.643 4.340 0.001 0.000 0.277 2658 R C -1.737 174.238 176.300 -0.542 0.000 1.024 2658 R CA -0.737 54.811 56.100 -0.919 0.000 0.866 2658 R CB 0.808 30.873 30.300 -0.392 0.000 1.278 2658 R HN -0.066 nan 8.270 nan 0.000 0.473 2659 N N 0.848 119.492 118.700 -0.093 0.000 2.462 2659 N HA 0.145 4.885 4.740 0.001 0.000 0.242 2659 N C 0.367 175.874 175.510 -0.004 0.000 1.010 2659 N CA -0.506 52.561 53.050 0.029 0.000 0.939 2659 N CB 1.069 39.612 38.487 0.094 0.000 1.127 2659 N HN 0.322 nan 8.380 nan 0.000 0.509 2660 L N 2.512 123.743 121.223 0.013 0.000 2.093 2660 L HA 0.075 4.416 4.340 0.001 0.000 0.208 2660 L C 0.347 177.248 176.870 0.052 0.000 1.085 2660 L CA 1.111 55.988 54.840 0.062 0.000 0.755 2660 L CB -0.118 42.021 42.059 0.133 0.000 0.904 2660 L HN 0.310 nan 8.230 nan 0.000 0.435 2661 V N -1.321 118.624 119.914 0.051 0.000 2.709 2661 V HA 0.477 4.598 4.120 0.001 0.000 0.308 2661 V C -0.508 175.601 176.094 0.025 0.000 1.062 2661 V CA -0.593 61.723 62.300 0.026 0.000 0.901 2661 V CB 2.060 33.900 31.823 0.028 0.000 1.003 2661 V HN 0.094 nan 8.190 nan 0.000 0.425 2662 T N 5.087 119.642 114.554 0.002 0.000 3.135 2662 T HA 0.347 4.697 4.350 0.001 0.000 0.357 2662 T C -0.586 174.103 174.700 -0.018 0.000 1.112 2662 T CA -0.426 61.674 62.100 0.000 0.000 1.290 2662 T CB 0.498 69.365 68.868 -0.001 0.000 1.018 2662 T HN 0.234 nan 8.240 nan 0.000 0.527 2663 L N 2.946 124.152 121.223 -0.027 0.000 2.540 2663 L HA 0.153 4.494 4.340 0.001 0.000 0.276 2663 L C 1.773 178.621 176.870 -0.037 0.000 1.212 2663 L CA 0.579 55.392 54.840 -0.044 0.000 0.893 2663 L CB 0.062 42.081 42.059 -0.066 0.000 1.138 2663 L HN 0.597 nan 8.230 nan 0.000 0.491 2664 E N 1.081 121.259 120.200 -0.038 0.000 2.204 2664 E HA -0.162 4.189 4.350 0.001 0.000 0.195 2664 E C 1.411 177.992 176.600 -0.033 0.000 0.990 2664 E CA 1.366 57.747 56.400 -0.032 0.000 0.821 2664 E CB 0.128 29.810 29.700 -0.031 0.000 0.750 2664 E HN 0.788 nan 8.360 nan 0.000 0.477 2665 S N -0.153 115.522 115.700 -0.041 0.000 2.605 2665 S HA 0.110 4.581 4.470 0.001 0.000 0.217 2665 S C 1.869 176.441 174.600 -0.047 0.000 0.958 2665 S CA 0.181 58.355 58.200 -0.042 0.000 0.919 2665 S CB 0.327 63.497 63.200 -0.050 0.000 0.780 2665 S HN 0.254 nan 8.310 nan 0.000 0.507 2666 G N 2.312 111.086 108.800 -0.045 0.000 2.513 2666 G HA2 -0.132 3.828 3.960 0.001 0.000 0.219 2666 G HA3 -0.132 3.828 3.960 0.001 0.000 0.219 2666 G C 1.309 176.190 174.900 -0.031 0.000 1.160 2666 G CA 0.709 45.783 45.100 -0.042 0.000 0.767 2666 G HN 0.684 nan 8.290 nan 0.000 0.571 2667 G N -0.330 108.457 108.800 -0.022 0.000 2.848 2667 G HA2 0.203 4.164 3.960 0.001 0.000 0.208 2667 G HA3 0.203 4.164 3.960 0.001 0.000 0.208 2667 G C 1.275 176.165 174.900 -0.016 0.000 1.152 2667 G CA 1.235 46.326 45.100 -0.016 0.000 0.789 2667 G HN 0.853 nan 8.290 nan 0.000 0.531 2668 S N -2.001 113.686 115.700 -0.022 0.000 2.843 2668 S HA 0.537 5.007 4.470 0.001 0.000 0.249 2668 S C 1.115 175.702 174.600 -0.021 0.000 1.047 2668 S CA 0.552 58.741 58.200 -0.018 0.000 1.042 2668 S CB 0.581 63.771 63.200 -0.016 0.000 0.936 2668 S HN 1.093 nan 8.310 nan 0.000 0.531 2669 G N 0.720 109.502 108.800 -0.030 0.000 2.905 2669 G HA2 0.008 3.969 3.960 0.001 0.000 0.196 2669 G HA3 0.008 3.969 3.960 0.001 0.000 0.196 2669 G C 0.554 175.405 174.900 -0.081 0.000 1.044 2669 G CA -0.277 44.801 45.100 -0.037 0.000 0.778 2669 G HN 1.092 nan 8.290 nan 0.000 0.474 2670 G N 0.367 109.111 108.800 -0.095 0.000 2.225 2670 G HA2 0.550 4.510 3.960 0.001 0.000 0.245 2670 G HA3 0.550 4.510 3.960 0.001 0.000 0.245 2670 G C -0.166 174.615 174.900 -0.200 0.000 1.249 2670 G CA 0.979 45.989 45.100 -0.150 0.000 0.919 2670 G HN 1.427 nan 8.290 nan 0.000 0.486 2671 V N 3.192 122.893 119.914 -0.356 0.000 3.007 2671 V HA 0.631 4.752 4.120 0.001 0.000 0.311 2671 V C -0.751 175.013 176.094 -0.550 0.000 1.120 2671 V CA -0.773 61.274 62.300 -0.421 0.000 0.980 2671 V CB 2.508 34.040 31.823 -0.485 0.000 1.033 2671 V HN 0.574 nan 8.190 nan 0.000 0.429 2672 V N 6.834 126.547 119.914 -0.335 0.000 2.311 2672 V HA 0.285 4.406 4.120 0.001 0.000 0.275 2672 V C 0.492 176.525 176.094 -0.102 0.000 1.022 2672 V CA -0.325 61.846 62.300 -0.214 0.000 0.830 2672 V CB 1.129 32.914 31.823 -0.064 0.000 1.012 2672 V HN 1.028 nan 8.190 nan 0.000 0.452 2673 W N 3.979 125.282 121.300 0.005 0.000 2.441 2673 W HA 0.169 4.829 4.660 0.001 0.000 0.302 2673 W C 1.058 177.588 176.519 0.017 0.000 1.191 2673 W CA 0.288 57.638 57.345 0.008 0.000 1.327 2673 W CB 0.134 29.593 29.460 -0.002 0.000 1.128 2673 W HN 0.427 nan 8.180 nan 0.000 0.522 2674 R N -0.713 119.943 120.500 0.259 0.000 2.739 2674 R HA 0.518 4.859 4.340 0.001 0.000 0.271 2674 R C -0.727 175.651 176.300 0.129 0.000 1.010 2674 R CA -0.745 55.458 56.100 0.171 0.000 0.897 2674 R CB 2.561 32.953 30.300 0.153 0.000 1.236 2674 R HN -0.161 nan 8.270 nan 0.000 0.466 2675 I N -2.011 118.637 120.570 0.129 0.000 2.769 2675 I HA 0.673 4.844 4.170 0.001 0.000 0.298 2675 I C -1.014 175.196 176.117 0.155 0.000 1.128 2675 I CA -1.187 60.191 61.300 0.130 0.000 1.031 2675 I CB 2.462 40.553 38.000 0.150 0.000 1.235 2675 I HN 0.252 nan 8.210 nan 0.000 0.423 2676 R N 3.396 124.000 120.500 0.173 0.000 2.574 2676 R HA 0.839 5.180 4.340 0.001 0.000 0.288 2676 R C -1.348 175.165 176.300 0.355 0.000 1.004 2676 R CA -0.869 55.387 56.100 0.260 0.000 0.895 2676 R CB 2.204 32.688 30.300 0.307 0.000 1.191 2676 R HN 0.961 nan 8.270 nan 0.000 0.444 2677 A N 1.409 124.444 122.820 0.358 0.000 2.371 2677 A HA 0.663 4.983 4.320 0.001 0.000 0.311 2677 A C -0.128 177.656 177.584 0.334 0.000 1.068 2677 A CA -0.526 51.756 52.037 0.409 0.000 0.744 2677 A CB 1.398 20.567 19.000 0.281 0.000 1.239 2677 A HN 0.767 nan 8.150 nan 0.000 0.435 2678 S N 0.876 116.822 115.700 0.410 0.000 2.768 2678 S HA 0.352 4.823 4.470 0.001 0.000 0.300 2678 S C 0.868 175.627 174.600 0.265 0.000 1.122 2678 S CA 0.030 58.336 58.200 0.177 0.000 0.995 2678 S CB 0.910 64.142 63.200 0.053 0.000 1.195 2678 S HN 0.751 nan 8.310 nan 0.000 0.547 2679 N N 0.018 118.823 118.700 0.176 0.000 2.223 2679 N HA -0.072 4.669 4.740 0.001 0.000 0.185 2679 N C 1.381 177.171 175.510 0.466 0.000 1.016 2679 N CA 2.012 55.192 53.050 0.216 0.000 0.863 2679 N CB -0.439 38.123 38.487 0.125 0.000 0.983 2679 N HN 0.635 nan 8.380 nan 0.000 0.429 2680 T N -1.118 113.676 114.554 0.400 0.000 3.014 2680 T HA 0.159 4.509 4.350 0.001 0.000 0.250 2680 T C -0.412 174.502 174.700 0.357 0.000 1.060 2680 T CA 0.005 62.331 62.100 0.378 0.000 1.040 2680 T CB 0.228 69.219 68.868 0.205 0.000 0.971 2680 T HN 0.421 nan 8.240 nan 0.000 0.497 2681 K N 0.176 120.862 120.400 0.476 0.000 2.533 2681 K HA 0.689 5.010 4.320 0.001 0.000 0.272 2681 K C -1.928 174.976 176.600 0.507 0.000 0.985 2681 K CA -1.146 55.360 56.287 0.365 0.000 0.876 2681 K CB 1.690 34.320 32.500 0.217 0.000 1.452 2681 K HN -0.048 nan 8.250 nan 0.000 0.439 2682 L N 1.132 122.536 121.223 0.303 0.000 2.356 2682 L HA 0.486 4.827 4.340 0.001 0.000 0.277 2682 L C -1.642 175.263 176.870 0.057 0.000 0.996 2682 L CA -0.569 54.460 54.840 0.315 0.000 0.822 2682 L CB 2.162 44.471 42.059 0.417 0.000 1.256 2682 L HN 0.574 nan 8.230 nan 0.000 0.413 2683 V N 4.197 124.100 119.914 -0.019 0.000 2.417 2683 V HA 0.488 4.609 4.120 0.001 0.000 0.291 2683 V C -0.501 175.556 176.094 -0.062 0.000 1.024 2683 V CA -0.480 61.715 62.300 -0.174 0.000 0.861 2683 V CB 1.298 32.868 31.823 -0.423 0.000 0.985 2683 V HN 0.884 nan 8.190 nan 0.000 0.436 2684 C N 4.017 123.273 119.300 -0.074 0.000 2.379 2684 C HA 0.834 5.295 4.460 0.001 0.000 0.323 2684 C C 0.668 175.635 174.990 -0.039 0.000 1.262 2684 C CA -0.936 58.068 59.018 -0.024 0.000 1.581 2684 C CB 0.904 28.635 27.740 -0.016 0.000 2.221 2684 C HN 0.963 nan 8.230 nan 0.000 0.497 2685 A N 3.221 126.062 122.820 0.034 0.000 2.252 2685 A HA 0.701 5.021 4.320 0.001 0.000 0.309 2685 A C -0.348 177.292 177.584 0.093 0.000 1.285 2685 A CA -0.128 51.973 52.037 0.107 0.000 0.900 2685 A CB 0.217 19.345 19.000 0.213 0.000 1.157 2685 A HN 0.767 nan 8.150 nan 0.000 0.536 2686 V N 1.968 121.879 119.914 -0.005 0.000 2.815 2686 V HA 0.949 5.070 4.120 0.001 0.000 0.314 2686 V C 0.760 176.655 176.094 -0.332 0.000 1.064 2686 V CA 0.432 62.591 62.300 -0.236 0.000 0.952 2686 V CB 1.813 33.529 31.823 -0.178 0.000 1.020 2686 V HN 1.457 nan 8.190 nan 0.000 0.439 2687 G N 1.589 109.951 108.800 -0.731 0.000 2.393 2687 G HA2 0.675 4.635 3.960 0.001 0.000 0.264 2687 G HA3 0.675 4.635 3.960 0.001 0.000 0.264 2687 G C -0.953 173.641 174.900 -0.510 0.000 1.221 2687 G CA 0.228 45.013 45.100 -0.524 0.000 0.912 2687 G HN 1.575 nan 8.290 nan 0.000 0.483 2688 S N -1.774 113.842 115.700 -0.141 0.000 2.586 2688 S HA 0.486 4.957 4.470 0.001 0.000 0.277 2688 S C 0.281 174.975 174.600 0.156 0.000 1.131 2688 S CA -0.396 57.788 58.200 -0.025 0.000 0.848 2688 S CB 1.799 64.967 63.200 -0.053 0.000 1.091 2688 S HN 0.770 nan 8.310 nan 0.000 0.453 2689 R N 0.797 121.386 120.500 0.148 0.000 2.093 2689 R HA 0.034 4.375 4.340 0.001 0.000 0.224 2689 R C 0.677 177.022 176.300 0.075 0.000 1.101 2689 R CA 1.667 57.851 56.100 0.139 0.000 0.979 2689 R CB -0.420 29.957 30.300 0.129 0.000 0.877 2689 R HN 0.833 nan 8.270 nan 0.000 0.441 2690 N N -0.908 117.821 118.700 0.049 0.000 2.460 2690 N HA 0.058 4.799 4.740 0.001 0.000 0.296 2690 N C 0.837 176.362 175.510 0.024 0.000 1.319 2690 N CA -0.044 53.023 53.050 0.029 0.000 0.945 2690 N CB -0.308 38.189 38.487 0.017 0.000 1.096 2690 N HN -0.056 nan 8.380 nan 0.000 0.538 2691 G N -2.328 106.480 108.800 0.013 0.000 3.502 2691 G HA2 0.044 4.004 3.960 0.001 0.000 0.267 2691 G HA3 0.044 4.004 3.960 0.001 0.000 0.267 2691 G C 0.785 175.686 174.900 0.002 0.000 1.090 2691 G CA 0.269 45.376 45.100 0.012 0.000 0.795 2691 G HN 0.715 nan 8.290 nan 0.000 0.535 2692 T N -2.185 112.366 114.554 -0.006 0.000 2.915 2692 T HA 0.049 4.400 4.350 0.001 0.000 0.269 2692 T C 0.591 175.273 174.700 -0.029 0.000 1.071 2692 T CA 0.730 62.820 62.100 -0.018 0.000 1.132 2692 T CB 0.322 69.176 68.868 -0.023 0.000 0.878 2692 T HN 0.106 nan 8.240 nan 0.000 0.479 2693 E N 1.404 121.583 120.200 -0.035 0.000 2.241 2693 E HA 0.343 4.694 4.350 0.001 0.000 0.263 2693 E C -0.935 175.652 176.600 -0.022 0.000 0.882 2693 E CA -0.341 56.029 56.400 -0.051 0.000 0.769 2693 E CB 1.987 31.622 29.700 -0.108 0.000 1.185 2693 E HN 0.547 nan 8.360 nan 0.000 0.415 2694 E N 1.109 121.304 120.200 -0.008 0.000 2.392 2694 E HA 0.052 4.403 4.350 0.001 0.000 0.264 2694 E C 0.328 176.951 176.600 0.037 0.000 1.024 2694 E CA 0.096 56.511 56.400 0.026 0.000 0.903 2694 E CB 0.734 30.447 29.700 0.021 0.000 0.963 2694 E HN 0.363 nan 8.360 nan 0.000 0.432 2695 T N 2.224 116.843 114.554 0.108 0.000 2.919 2695 T HA 0.307 4.658 4.350 0.001 0.000 0.302 2695 T C -0.378 174.393 174.700 0.119 0.000 1.031 2695 T CA -0.254 61.949 62.100 0.172 0.000 1.127 2695 T CB 0.397 69.464 68.868 0.332 0.000 0.952 2695 T HN 0.628 nan 8.240 nan 0.000 0.540 2696 K N 2.002 122.448 120.400 0.076 0.000 2.755 2696 K HA 0.556 4.876 4.320 0.001 0.000 0.294 2696 K C -1.874 174.663 176.600 -0.104 0.000 1.060 2696 K CA -1.251 55.015 56.287 -0.034 0.000 0.845 2696 K CB 0.624 33.079 32.500 -0.076 0.000 1.539 2696 K HN 0.351 nan 8.250 nan 0.000 0.379 2697 L N 1.080 122.136 121.223 -0.279 0.000 2.334 2697 L HA 0.544 4.885 4.340 0.001 0.000 0.273 2697 L C -0.923 175.781 176.870 -0.277 0.000 1.013 2697 L CA -0.864 53.791 54.840 -0.309 0.000 0.816 2697 L CB 1.218 42.950 42.059 -0.545 0.000 1.278 2697 L HN 0.582 nan 8.230 nan 0.000 0.431 2698 L N 2.505 123.604 121.223 -0.208 0.000 2.341 2698 L HA 0.584 4.924 4.340 0.001 0.000 0.278 2698 L C -0.267 176.490 176.870 -0.188 0.000 1.005 2698 L CA -0.449 54.285 54.840 -0.177 0.000 0.818 2698 L CB 2.044 44.029 42.059 -0.122 0.000 1.259 2698 L HN 0.183 nan 8.230 nan 0.000 0.418 2699 V N 5.011 124.807 119.914 -0.197 0.000 2.350 2699 V HA 0.466 4.586 4.120 0.001 0.000 0.285 2699 V C -0.056 175.918 176.094 -0.199 0.000 1.014 2699 V CA -0.654 61.526 62.300 -0.200 0.000 0.831 2699 V CB 1.522 33.219 31.823 -0.210 0.000 1.000 2699 V HN 0.467 nan 8.190 nan 0.000 0.433 2700 L N 3.403 124.502 121.223 -0.207 0.000 2.325 2700 L HA 0.656 4.997 4.340 0.001 0.000 0.279 2700 L C -0.518 176.062 176.870 -0.483 0.000 1.054 2700 L CA -0.410 54.200 54.840 -0.383 0.000 0.804 2700 L CB 1.652 43.460 42.059 -0.419 0.000 1.200 2700 L HN 0.507 nan 8.230 nan 0.000 0.436 2701 D N 1.402 121.416 120.400 -0.645 0.000 2.408 2701 D HA 0.330 4.970 4.640 0.001 0.000 0.243 2701 D C -0.408 175.419 176.300 -0.788 0.000 1.075 2701 D CA -0.311 53.384 54.000 -0.509 0.000 0.832 2701 D CB 1.235 41.862 40.800 -0.288 0.000 1.162 2701 D HN 0.252 nan 8.370 nan 0.000 0.515 2702 F N 1.007 120.725 119.950 -0.386 0.000 2.654 2702 F HA 0.198 4.725 4.527 0.001 0.000 0.303 2702 F C 0.978 176.639 175.800 -0.232 0.000 1.099 2702 F CA -0.652 57.061 58.000 -0.478 0.000 1.270 2702 F CB 0.270 38.595 39.000 -1.124 0.000 1.024 2702 F HN 0.216 nan 8.300 nan 0.000 0.548 2703 D N 0.647 121.027 120.400 -0.034 0.000 2.361 2703 D HA 0.214 4.855 4.640 0.001 0.000 0.239 2703 D C -0.149 176.148 176.300 -0.005 0.000 1.200 2703 D CA 0.541 54.550 54.000 0.015 0.000 0.915 2703 D CB 1.465 42.268 40.800 0.005 0.000 1.170 2703 D HN -0.175 nan 8.370 nan 0.000 0.444 2704 V N 1.719 121.640 119.914 0.012 0.000 2.815 2704 V HA 0.206 4.327 4.120 0.001 0.000 0.314 2704 V C -0.374 175.715 176.094 -0.009 0.000 1.064 2704 V CA -0.937 61.365 62.300 0.002 0.000 0.952 2704 V CB 2.033 33.868 31.823 0.020 0.000 1.020 2704 V HN 0.476 nan 8.190 nan 0.000 0.439 2705 D N 4.956 125.346 120.400 -0.016 0.000 2.359 2705 D HA 0.455 5.096 4.640 0.001 0.000 0.250 2705 D C -0.252 176.033 176.300 -0.024 0.000 1.264 2705 D CA 0.386 54.373 54.000 -0.022 0.000 0.911 2705 D CB 0.946 41.731 40.800 -0.025 0.000 1.056 2705 D HN 0.350 nan 8.370 nan 0.000 0.499 2706 M N 0.000 119.584 119.600 -0.027 0.000 2.572 2706 M HA 0.000 4.481 4.480 0.001 0.000 0.227 2706 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 2706 M CB 0.000 32.575 32.600 -0.041 0.000 1.302 2706 M HN 0.000 nan 8.290 nan 0.000 0.411