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 2ovp_1_B DATA FIRST_RESID 2263 DATA SEQUENCE TQVKHMMQVI EPQFQRDFIS LLPKELALYV LSFLEPKDLL QAAQTCRYWR DATA SEQUENCE ILAEDNLLWR EKCKEEGIDE PLHIKXXXVI 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 0.000 174.725 174.700 0.041 0.000 1.109 2263 T CA 0.000 62.130 62.100 0.050 0.000 1.349 2263 T CB 0.000 68.895 68.868 0.046 0.000 0.612 2264 Q N 0.391 120.222 119.800 0.052 0.000 2.858 2264 Q HA -0.242 4.098 4.340 0.000 0.000 0.191 2264 Q C 1.245 177.233 176.000 -0.022 0.000 2.796 2264 Q CA 2.493 58.293 55.803 -0.005 0.000 0.359 2264 Q CB -1.591 27.140 28.738 -0.012 0.000 0.330 2264 Q HN 0.604 nan 8.270 nan 0.000 0.511 2265 V N 0.968 120.873 119.914 -0.015 0.000 2.446 2265 V HA -0.117 4.003 4.120 0.000 0.000 0.244 2265 V C 2.356 178.432 176.094 -0.029 0.000 1.039 2265 V CA 2.097 64.366 62.300 -0.052 0.000 1.045 2265 V CB -0.398 31.397 31.823 -0.045 0.000 0.681 2265 V HN 0.248 nan 8.190 nan 0.000 0.459 2266 K N -0.683 119.725 120.400 0.013 0.000 2.002 2266 K HA -0.197 4.123 4.320 0.000 0.000 0.209 2266 K C 2.339 178.963 176.600 0.040 0.000 1.048 2266 K CA 1.525 57.827 56.287 0.025 0.000 0.930 2266 K CB -0.415 32.103 32.500 0.030 0.000 0.714 2266 K HN 0.418 nan 8.250 nan 0.000 0.438 2267 H N 0.696 119.746 119.070 -0.033 0.000 2.431 2267 H HA -0.126 4.430 4.556 0.000 0.000 0.297 2267 H C 1.884 177.181 175.328 -0.052 0.000 1.115 2267 H CA 1.489 57.517 56.048 -0.034 0.000 1.277 2267 H CB 0.182 29.922 29.762 -0.037 0.000 1.372 2267 H HN 0.132 nan 8.280 nan 0.000 0.516 2268 M N -0.585 119.076 119.600 0.101 0.000 2.156 2268 M HA -0.142 4.338 4.480 0.000 0.000 0.264 2268 M C 2.370 178.674 176.300 0.007 0.000 1.067 2268 M CA 0.877 56.175 55.300 -0.002 0.000 1.131 2268 M CB -0.466 32.035 32.600 -0.164 0.000 1.368 2268 M HN 0.278 nan 8.290 nan 0.000 0.416 2269 M N 0.018 119.624 119.600 0.009 0.000 2.067 2269 M HA -0.194 4.286 4.480 0.000 0.000 0.260 2269 M C 1.820 178.150 176.300 0.050 0.000 1.069 2269 M CA 1.601 56.934 55.300 0.056 0.000 1.117 2269 M CB -1.631 31.020 32.600 0.086 0.000 1.334 2269 M HN 0.338 nan 8.290 nan 0.000 0.407 2270 Q N -0.114 119.691 119.800 0.008 0.000 2.561 2270 Q HA -0.057 4.283 4.340 0.000 0.000 0.217 2270 Q C 1.709 177.693 176.000 -0.027 0.000 0.980 2270 Q CA 0.576 56.364 55.803 -0.025 0.000 0.927 2270 Q CB -0.107 28.575 28.738 -0.093 0.000 0.980 2270 Q HN 0.393 nan 8.270 nan 0.000 0.525 2271 V N -1.196 118.723 119.914 0.008 0.000 3.137 2271 V HA -0.005 4.115 4.120 0.000 0.000 0.236 2271 V C 1.616 177.744 176.094 0.056 0.000 1.260 2271 V CA 0.250 62.568 62.300 0.031 0.000 1.244 2271 V CB 0.215 32.078 31.823 0.067 0.000 1.016 2271 V HN 0.234 nan 8.190 nan 0.000 0.477 2272 I N -0.307 120.304 120.570 0.069 0.000 2.584 2272 I HA 0.037 4.207 4.170 0.000 0.000 0.255 2272 I C 0.582 176.758 176.117 0.099 0.000 1.145 2272 I CA 0.555 61.910 61.300 0.092 0.000 1.462 2272 I CB 0.091 38.159 38.000 0.114 0.000 1.102 2272 I HN 0.280 nan 8.210 nan 0.000 0.433 2273 E N -0.228 120.032 120.200 0.100 0.000 2.246 2273 E HA -0.175 4.175 4.350 0.000 0.000 0.211 2273 E C -1.847 174.835 176.600 0.138 0.000 1.278 2273 E CA 0.182 56.646 56.400 0.107 0.000 0.694 2273 E CB -1.431 28.317 29.700 0.079 0.000 1.166 2273 E HN 0.362 nan 8.360 nan 0.000 0.370 2274 P HA -0.016 nan 4.420 nan 0.000 0.263 2274 P C 0.460 177.875 177.300 0.193 0.000 1.386 2274 P CA 0.209 63.444 63.100 0.225 0.000 0.797 2274 P CB 0.214 32.117 31.700 0.338 0.000 1.381 2275 Q N -0.369 119.523 119.800 0.153 0.000 2.469 2275 Q HA -0.061 4.279 4.340 0.000 0.000 0.317 2275 Q C 0.015 176.119 176.000 0.173 0.000 1.224 2275 Q CA 0.287 56.164 55.803 0.123 0.000 1.014 2275 Q CB -0.247 28.563 28.738 0.120 0.000 1.297 2275 Q HN 0.134 nan 8.270 nan 0.000 0.456 2276 F N 0.676 120.609 119.950 -0.029 0.000 2.127 2276 F HA -0.248 4.279 4.527 0.000 0.000 0.329 2276 F C -1.384 174.395 175.800 -0.034 0.000 1.097 2276 F CA 0.582 58.563 58.000 -0.032 0.000 1.135 2276 F CB -0.147 38.847 39.000 -0.010 0.000 1.669 2276 F HN 0.390 nan 8.300 nan 0.000 0.758 2277 Q N 6.021 125.441 119.800 -0.635 0.000 2.263 2277 Q HA 0.360 4.700 4.340 0.000 0.000 0.266 2277 Q C 0.009 175.678 176.000 -0.553 0.000 1.002 2277 Q CA -0.708 54.768 55.803 -0.545 0.000 0.790 2277 Q CB 1.789 30.350 28.738 -0.295 0.000 1.272 2277 Q HN 0.751 nan 8.270 nan 0.000 0.435 2278 R N 1.436 121.613 120.500 -0.538 0.000 3.192 2278 R HA 0.139 4.479 4.340 0.000 0.000 0.264 2278 R C 0.014 176.238 176.300 -0.126 0.000 1.464 2278 R CA 0.027 55.932 56.100 -0.325 0.000 1.309 2278 R CB -0.006 30.135 30.300 -0.266 0.000 1.283 2278 R HN 0.419 nan 8.270 nan 0.000 0.584 2279 D N -0.813 119.550 120.400 -0.061 0.000 2.457 2279 D HA 0.003 4.643 4.640 0.000 0.000 0.240 2279 D C 0.270 176.683 176.300 0.188 0.000 1.041 2279 D CA -0.860 53.209 54.000 0.114 0.000 0.861 2279 D CB 1.143 42.085 40.800 0.237 0.000 1.394 2279 D HN -0.043 nan 8.370 nan 0.000 0.473 2280 F N 1.522 121.538 119.950 0.109 0.000 2.045 2280 F HA -0.290 4.237 4.527 0.000 0.000 0.297 2280 F C 2.199 178.043 175.800 0.074 0.000 1.114 2280 F CA 2.420 60.469 58.000 0.082 0.000 1.207 2280 F CB -0.049 39.007 39.000 0.092 0.000 0.964 2280 F HN 0.548 nan 8.300 nan 0.000 0.486 2281 I N -2.031 118.852 120.570 0.522 0.000 2.546 2281 I HA -0.133 4.037 4.170 0.000 0.000 0.255 2281 I C 2.106 178.306 176.117 0.139 0.000 1.163 2281 I CA 1.598 63.038 61.300 0.234 0.000 1.457 2281 I CB -0.569 37.322 38.000 -0.182 0.000 1.092 2281 I HN 0.010 nan 8.210 nan 0.000 0.434 2282 S N 1.463 117.275 115.700 0.187 0.000 2.419 2282 S HA 0.031 4.501 4.470 0.000 0.000 0.233 2282 S C 1.865 176.327 174.600 -0.229 0.000 1.016 2282 S CA 1.409 59.540 58.200 -0.114 0.000 0.974 2282 S CB -0.350 62.676 63.200 -0.291 0.000 0.786 2282 S HN 0.502 nan 8.310 nan 0.000 0.492 2283 L N 0.507 121.657 121.223 -0.122 0.000 2.375 2283 L HA 0.225 4.565 4.340 0.000 0.000 0.215 2283 L C 0.491 177.302 176.870 -0.100 0.000 1.108 2283 L CA 0.051 54.807 54.840 -0.141 0.000 0.830 2283 L CB -0.339 41.619 42.059 -0.169 0.000 0.959 2283 L HN 0.169 nan 8.230 nan 0.000 0.457 2284 L N 1.300 122.480 121.223 -0.071 0.000 2.485 2284 L HA 0.079 4.419 4.340 0.000 0.000 0.275 2284 L C -1.898 174.976 176.870 0.006 0.000 1.207 2284 L CA -1.664 53.150 54.840 -0.044 0.000 0.855 2284 L CB -0.118 41.955 42.059 0.023 0.000 1.114 2284 L HN -0.213 nan 8.230 nan 0.000 0.485 2285 P HA -0.039 nan 4.420 nan 0.000 0.264 2285 P C 0.138 177.462 177.300 0.039 0.000 1.183 2285 P CA -0.116 62.993 63.100 0.015 0.000 0.763 2285 P CB 0.425 32.122 31.700 -0.004 0.000 0.807 2286 K N 3.128 123.564 120.400 0.060 0.000 2.066 2286 K HA -0.277 4.043 4.320 0.000 0.000 0.221 2286 K C 1.584 178.201 176.600 0.028 0.000 1.056 2286 K CA 2.015 58.333 56.287 0.053 0.000 0.950 2286 K CB -0.678 31.845 32.500 0.040 0.000 0.726 2286 K HN 0.592 nan 8.250 nan 0.000 0.456 2287 E N 0.441 120.658 120.200 0.027 0.000 2.049 2287 E HA -0.170 4.180 4.350 0.000 0.000 0.198 2287 E C 2.293 178.931 176.600 0.063 0.000 1.007 2287 E CA 1.260 57.682 56.400 0.036 0.000 0.809 2287 E CB -0.181 29.532 29.700 0.020 0.000 0.749 2287 E HN 0.238 nan 8.360 nan 0.000 0.450 2288 L N 0.354 121.604 121.223 0.044 0.000 2.046 2288 L HA -0.187 4.153 4.340 0.000 0.000 0.208 2288 L C 2.626 179.547 176.870 0.086 0.000 1.077 2288 L CA 0.962 55.843 54.840 0.068 0.000 0.747 2288 L CB -0.538 41.538 42.059 0.028 0.000 0.896 2288 L HN 0.148 nan 8.230 nan 0.000 0.432 2289 A N 0.077 122.924 122.820 0.044 0.000 1.940 2289 A HA -0.181 4.139 4.320 0.000 0.000 0.219 2289 A C 2.270 179.832 177.584 -0.036 0.000 1.176 2289 A CA 1.544 53.576 52.037 -0.008 0.000 0.631 2289 A CB -0.596 18.390 19.000 -0.024 0.000 0.814 2289 A HN 0.373 nan 8.150 nan 0.000 0.446 2290 L N -2.803 118.424 121.223 0.008 0.000 2.049 2290 L HA -0.123 4.217 4.340 0.000 0.000 0.203 2290 L C 2.501 179.413 176.870 0.069 0.000 1.074 2290 L CA 1.479 56.320 54.840 0.002 0.000 0.749 2290 L CB -0.708 41.358 42.059 0.011 0.000 0.907 2290 L HN 0.507 nan 8.230 nan 0.000 0.439 2291 Y N 0.290 120.599 120.300 0.015 0.000 2.365 2291 Y HA -0.259 4.291 4.550 0.000 0.000 0.287 2291 Y C 2.181 178.180 175.900 0.165 0.000 1.162 2291 Y CA 1.278 59.437 58.100 0.097 0.000 1.260 2291 Y CB -0.109 38.401 38.460 0.083 0.000 0.976 2291 Y HN -0.112 nan 8.280 nan 0.000 0.548 2292 V N -0.540 119.444 119.914 0.116 0.000 2.300 2292 V HA -0.261 3.860 4.120 0.000 0.000 0.241 2292 V C 2.240 178.327 176.094 -0.011 0.000 1.034 2292 V CA 1.649 63.921 62.300 -0.046 0.000 1.021 2292 V CB -0.631 31.141 31.823 -0.086 0.000 0.662 2292 V HN 0.317 nan 8.190 nan 0.000 0.458 2293 L N 1.301 122.479 121.223 -0.074 0.000 2.261 2293 L HA -0.164 4.176 4.340 0.000 0.000 0.216 2293 L C 2.663 179.470 176.870 -0.104 0.000 1.114 2293 L CA 1.686 56.460 54.840 -0.111 0.000 0.777 2293 L CB -0.796 41.164 42.059 -0.165 0.000 0.910 2293 L HN 0.580 nan 8.230 nan 0.000 0.440 2294 S N -0.236 115.419 115.700 -0.075 0.000 2.419 2294 S HA -0.152 4.318 4.470 0.000 0.000 0.233 2294 S C 1.627 176.107 174.600 -0.200 0.000 1.016 2294 S CA 0.807 58.891 58.200 -0.193 0.000 0.974 2294 S CB -0.584 62.467 63.200 -0.248 0.000 0.786 2294 S HN 0.334 nan 8.310 nan 0.000 0.492 2295 F N 1.786 121.578 119.950 -0.262 0.000 2.802 2295 F HA 0.426 4.953 4.527 0.000 0.000 0.300 2295 F C 0.830 176.525 175.800 -0.175 0.000 1.168 2295 F CA -0.277 57.594 58.000 -0.214 0.000 1.433 2295 F CB -0.408 38.484 39.000 -0.180 0.000 1.115 2295 F HN 0.141 nan 8.300 nan 0.000 0.582 2296 L N 0.217 121.420 121.223 -0.033 0.000 2.334 2296 L HA 0.257 4.597 4.340 0.000 0.000 0.277 2296 L C 0.510 177.287 176.870 -0.154 0.000 1.075 2296 L CA -0.829 53.970 54.840 -0.069 0.000 0.804 2296 L CB 0.692 42.715 42.059 -0.060 0.000 1.174 2296 L HN -0.164 nan 8.230 nan 0.000 0.438 2297 E N 2.723 122.856 120.200 -0.112 0.000 2.366 2297 E HA 0.132 4.482 4.350 0.000 0.000 0.266 2297 E C -1.650 174.848 176.600 -0.170 0.000 1.051 2297 E CA -1.826 54.494 56.400 -0.134 0.000 0.884 2297 E CB 0.981 30.647 29.700 -0.056 0.000 1.006 2297 E HN 0.301 nan 8.360 nan 0.000 0.417 2298 P HA -0.274 nan 4.420 nan 0.000 0.219 2298 P C 1.294 178.578 177.300 -0.027 0.000 1.158 2298 P CA 2.071 64.995 63.100 -0.293 0.000 0.895 2298 P CB 0.233 31.606 31.700 -0.546 0.000 0.792 2299 K N -0.570 119.830 120.400 0.000 0.000 2.059 2299 K HA -0.232 4.088 4.320 0.000 0.000 0.212 2299 K C 1.675 178.299 176.600 0.039 0.000 1.050 2299 K CA 2.150 58.452 56.287 0.024 0.000 0.927 2299 K CB -0.505 32.015 32.500 0.033 0.000 0.714 2299 K HN 0.077 nan 8.250 nan 0.000 0.447 2300 D N 0.569 120.983 120.400 0.024 0.000 2.077 2300 D HA -0.156 4.484 4.640 0.000 0.000 0.196 2300 D C 2.066 178.418 176.300 0.087 0.000 0.986 2300 D CA 0.830 54.859 54.000 0.048 0.000 0.829 2300 D CB -0.244 40.572 40.800 0.027 0.000 0.983 2300 D HN 0.112 nan 8.370 nan 0.000 0.453 2301 L N 1.125 122.378 121.223 0.050 0.000 2.010 2301 L HA -0.215 4.125 4.340 0.000 0.000 0.219 2301 L C 2.699 179.715 176.870 0.243 0.000 1.077 2301 L CA 1.330 56.245 54.840 0.125 0.000 0.773 2301 L CB -1.551 40.528 42.059 0.034 0.000 0.892 2301 L HN 0.161 nan 8.230 nan 0.000 0.436 2302 L N -1.074 120.296 121.223 0.245 0.000 2.081 2302 L HA -0.262 4.078 4.340 0.000 0.000 0.212 2302 L C 2.794 179.748 176.870 0.140 0.000 1.080 2302 L CA 1.250 56.202 54.840 0.186 0.000 0.754 2302 L CB -0.588 41.538 42.059 0.113 0.000 0.893 2302 L HN 0.402 nan 8.230 nan 0.000 0.433 2303 Q N -0.193 119.681 119.800 0.123 0.000 2.049 2303 Q HA -0.089 4.251 4.340 0.000 0.000 0.198 2303 Q C 2.474 178.559 176.000 0.142 0.000 0.971 2303 Q CA 1.668 57.531 55.803 0.101 0.000 0.833 2303 Q CB -0.436 28.349 28.738 0.078 0.000 0.896 2303 Q HN 0.503 nan 8.270 nan 0.000 0.434 2304 A N 1.084 124.042 122.820 0.230 0.000 1.978 2304 A HA -0.119 4.201 4.320 0.000 0.000 0.220 2304 A C 2.239 180.087 177.584 0.440 0.000 1.170 2304 A CA 1.872 54.171 52.037 0.437 0.000 0.636 2304 A CB -0.563 18.755 19.000 0.531 0.000 0.810 2304 A HN 0.351 nan 8.150 nan 0.000 0.448 2305 A N -0.972 122.030 122.820 0.304 0.000 2.066 2305 A HA -0.102 4.218 4.320 0.000 0.000 0.218 2305 A C 1.937 179.628 177.584 0.178 0.000 1.157 2305 A CA 1.324 53.521 52.037 0.268 0.000 0.670 2305 A CB -0.335 18.803 19.000 0.230 0.000 0.804 2305 A HN 0.668 nan 8.150 nan 0.000 0.453 2306 Q N -1.103 118.769 119.800 0.120 0.000 2.360 2306 Q HA 0.014 4.354 4.340 0.000 0.000 0.202 2306 Q C 1.563 177.575 176.000 0.020 0.000 0.915 2306 Q CA 0.669 56.504 55.803 0.054 0.000 0.943 2306 Q CB -0.023 28.735 28.738 0.032 0.000 1.064 2306 Q HN 0.588 nan 8.270 nan 0.000 0.511 2307 T N 0.595 115.157 114.554 0.013 0.000 2.569 2307 T HA -0.141 4.209 4.350 0.000 0.000 0.263 2307 T C 1.015 175.645 174.700 -0.117 0.000 1.074 2307 T CA 1.388 63.390 62.100 -0.163 0.000 1.176 2307 T CB -0.072 68.509 68.868 -0.477 0.000 0.863 2307 T HN 0.578 nan 8.240 nan 0.000 0.410 2308 C N -0.543 118.762 119.300 0.009 0.000 3.239 2308 C HA 0.618 5.078 4.460 0.000 0.000 0.329 2308 C C 1.284 176.407 174.990 0.223 0.000 1.252 2308 C CA -1.606 57.462 59.018 0.084 0.000 1.323 2308 C CB 1.398 29.167 27.740 0.048 0.000 1.663 2308 C HN 0.486 nan 8.230 nan 0.000 0.487 2309 R N -0.219 120.401 120.500 0.201 0.000 2.165 2309 R HA -0.228 4.112 4.340 0.000 0.000 0.254 2309 R C 1.599 178.074 176.300 0.292 0.000 1.153 2309 R CA 2.706 58.948 56.100 0.237 0.000 0.971 2309 R CB -0.608 29.817 30.300 0.210 0.000 0.878 2309 R HN 0.873 nan 8.270 nan 0.000 0.449 2310 Y N 0.153 120.592 120.300 0.233 0.000 2.089 2310 Y HA -0.286 4.264 4.550 0.000 0.000 0.282 2310 Y C 2.049 178.135 175.900 0.310 0.000 1.139 2310 Y CA 1.567 59.814 58.100 0.246 0.000 1.123 2310 Y CB -0.507 38.106 38.460 0.255 0.000 0.980 2310 Y HN 0.026 nan 8.280 nan 0.000 0.493 2311 W N 0.790 122.192 121.300 0.170 0.000 2.317 2311 W HA -0.231 4.429 4.660 0.000 0.000 0.318 2311 W C 2.861 179.423 176.519 0.072 0.000 1.227 2311 W CA 2.432 59.840 57.345 0.105 0.000 1.269 2311 W CB -1.126 28.417 29.460 0.138 0.000 1.155 2311 W HN 0.034 nan 8.180 nan 0.000 0.484 2312 R N 0.435 121.160 120.500 0.375 0.000 2.136 2312 R HA -0.257 4.083 4.340 0.000 0.000 0.242 2312 R C 2.108 178.601 176.300 0.322 0.000 1.131 2312 R CA 2.846 59.145 56.100 0.331 0.000 0.937 2312 R CB -1.023 29.461 30.300 0.305 0.000 0.863 2312 R HN 0.193 nan 8.270 nan 0.000 0.435 2313 I N 0.825 121.520 120.570 0.209 0.000 2.315 2313 I HA -0.336 3.834 4.170 0.000 0.000 0.251 2313 I C 2.262 178.324 176.117 -0.091 0.000 1.125 2313 I CA 1.212 62.493 61.300 -0.032 0.000 1.392 2313 I CB -0.250 37.654 38.000 -0.159 0.000 1.065 2313 I HN 0.341 nan 8.210 nan 0.000 0.424 2314 L N 0.328 121.482 121.223 -0.116 0.000 2.049 2314 L HA -0.055 4.285 4.340 0.000 0.000 0.203 2314 L C 2.718 179.600 176.870 0.020 0.000 1.074 2314 L CA 1.044 55.807 54.840 -0.127 0.000 0.749 2314 L CB -0.663 41.246 42.059 -0.249 0.000 0.907 2314 L HN 0.167 nan 8.230 nan 0.000 0.439 2315 A N -0.694 122.187 122.820 0.102 0.000 2.285 2315 A HA -0.173 4.147 4.320 0.000 0.000 0.214 2315 A C 1.781 179.631 177.584 0.444 0.000 1.188 2315 A CA 1.295 53.475 52.037 0.240 0.000 0.707 2315 A CB -0.370 18.806 19.000 0.294 0.000 0.771 2315 A HN 0.382 nan 8.150 nan 0.000 0.488 2316 E N -0.016 120.367 120.200 0.305 0.000 2.476 2316 E HA 0.012 4.362 4.350 0.000 0.000 0.196 2316 E C -0.514 176.237 176.600 0.251 0.000 1.029 2316 E CA -0.172 56.406 56.400 0.297 0.000 0.896 2316 E CB -0.097 29.704 29.700 0.168 0.000 1.012 2316 E HN 0.674 nan 8.360 nan 0.000 0.475 2317 D N 1.367 121.899 120.400 0.221 0.000 2.451 2317 D HA -0.073 4.567 4.640 0.000 0.000 0.254 2317 D C 1.103 177.572 176.300 0.282 0.000 1.204 2317 D CA 0.369 54.464 54.000 0.158 0.000 0.896 2317 D CB 0.231 41.073 40.800 0.070 0.000 1.136 2317 D HN -0.001 nan 8.370 nan 0.000 0.499 2318 N N 3.101 121.947 118.700 0.243 0.000 2.011 2318 N HA -0.219 4.521 4.740 0.000 0.000 0.199 2318 N C 1.735 177.432 175.510 0.311 0.000 1.047 2318 N CA 1.009 54.265 53.050 0.344 0.000 0.863 2318 N CB -0.019 38.641 38.487 0.288 0.000 1.056 2318 N HN 0.501 nan 8.380 nan 0.000 0.427 2319 L N 0.793 122.108 121.223 0.154 0.000 2.187 2319 L HA -0.178 4.162 4.340 0.000 0.000 0.213 2319 L C 2.422 179.250 176.870 -0.069 0.000 1.100 2319 L CA 0.364 55.211 54.840 0.013 0.000 0.765 2319 L CB -0.350 41.711 42.059 0.003 0.000 0.904 2319 L HN 0.379 nan 8.230 nan 0.000 0.437 2320 L N -1.156 120.050 121.223 -0.028 0.000 2.131 2320 L HA -0.158 4.182 4.340 0.000 0.000 0.210 2320 L C 1.831 178.481 176.870 -0.366 0.000 1.092 2320 L CA 1.860 56.576 54.840 -0.207 0.000 0.759 2320 L CB -0.458 41.459 42.059 -0.236 0.000 0.903 2320 L HN 0.177 nan 8.230 nan 0.000 0.435 2321 W N -0.700 120.561 121.300 -0.065 0.000 2.630 2321 W HA 0.183 4.843 4.660 0.000 0.000 0.271 2321 W C 2.664 179.054 176.519 -0.215 0.000 1.244 2321 W CA 0.487 57.813 57.345 -0.032 0.000 1.353 2321 W CB -0.308 29.253 29.460 0.168 0.000 1.080 2321 W HN -0.022 nan 8.180 nan 0.000 0.594 2322 R N 1.313 121.548 120.500 -0.442 0.000 2.185 2322 R HA -0.263 4.077 4.340 0.000 0.000 0.247 2322 R C 1.818 177.619 176.300 -0.831 0.000 1.159 2322 R CA 2.157 57.300 56.100 -1.595 0.000 0.988 2322 R CB -0.207 29.293 30.300 -1.333 0.000 0.871 2322 R HN 0.321 nan 8.270 nan 0.000 0.458 2323 E N -0.244 119.700 120.200 -0.428 0.000 2.057 2323 E HA -0.089 4.261 4.350 0.000 0.000 0.190 2323 E C 1.424 177.911 176.600 -0.188 0.000 0.969 2323 E CA 0.359 56.583 56.400 -0.293 0.000 0.812 2323 E CB 0.218 29.760 29.700 -0.263 0.000 0.777 2323 E HN 0.061 nan 8.360 nan 0.000 0.455 2324 K N 0.426 120.715 120.400 -0.185 0.000 2.286 2324 K HA -0.144 4.176 4.320 0.000 0.000 0.203 2324 K C 2.020 178.749 176.600 0.216 0.000 1.045 2324 K CA 0.800 57.029 56.287 -0.097 0.000 0.935 2324 K CB -0.630 31.642 32.500 -0.380 0.000 0.737 2324 K HN 0.303 nan 8.250 nan 0.000 0.460 2325 C N 0.356 119.790 119.300 0.223 0.000 2.522 2325 C HA 0.054 4.514 4.460 0.000 0.000 0.280 2325 C C 2.475 177.545 174.990 0.134 0.000 1.303 2325 C CA 0.028 59.244 59.018 0.331 0.000 1.709 2325 C CB -0.299 27.731 27.740 0.482 0.000 2.071 2325 C HN 0.472 nan 8.230 nan 0.000 0.492 2326 K N 0.874 121.254 120.400 -0.032 0.000 2.574 2326 K HA -0.152 4.168 4.320 0.000 0.000 0.193 2326 K C 1.738 178.328 176.600 -0.016 0.000 1.035 2326 K CA 0.935 57.196 56.287 -0.044 0.000 0.982 2326 K CB 0.013 32.436 32.500 -0.128 0.000 0.795 2326 K HN 0.460 nan 8.250 nan 0.000 0.491 2327 E N 0.792 121.000 120.200 0.013 0.000 2.086 2327 E HA -0.073 4.277 4.350 0.000 0.000 0.190 2327 E C 0.807 177.437 176.600 0.050 0.000 0.975 2327 E CA 1.111 57.522 56.400 0.018 0.000 0.813 2327 E CB 0.301 30.016 29.700 0.024 0.000 0.768 2327 E HN 0.131 nan 8.360 nan 0.000 0.457 2328 E N 0.020 120.279 120.200 0.098 0.000 2.394 2328 E HA 0.175 4.525 4.350 0.000 0.000 0.191 2328 E C -0.013 176.603 176.600 0.027 0.000 1.044 2328 E CA 0.413 56.843 56.400 0.049 0.000 0.939 2328 E CB 0.302 30.011 29.700 0.015 0.000 1.089 2328 E HN 0.381 nan 8.360 nan 0.000 0.456 2329 G N 2.434 111.258 108.800 0.040 0.000 2.370 2329 G HA2 -0.235 3.725 3.960 0.000 0.000 0.293 2329 G HA3 -0.235 3.725 3.960 0.000 0.000 0.293 2329 G C 0.760 175.702 174.900 0.070 0.000 0.992 2329 G CA 0.176 45.300 45.100 0.039 0.000 1.247 2329 G HN 0.263 nan 8.290 nan 0.000 0.505 2330 I N 0.027 120.682 120.570 0.141 0.000 2.685 2330 I HA 0.049 4.219 4.170 0.000 0.000 0.251 2330 I C 1.887 178.161 176.117 0.261 0.000 1.102 2330 I CA 1.539 62.964 61.300 0.208 0.000 1.442 2330 I CB -0.915 37.290 38.000 0.342 0.000 1.194 2330 I HN 0.455 nan 8.210 nan 0.000 0.448 2331 D N -0.018 120.602 120.400 0.368 0.000 2.463 2331 D HA -0.261 4.379 4.640 0.000 0.000 0.165 2331 D C 0.642 177.241 176.300 0.498 0.000 1.471 2331 D CA 1.688 55.916 54.000 0.379 0.000 1.333 2331 D CB -0.787 40.123 40.800 0.183 0.000 1.227 2331 D HN 0.357 nan 8.370 nan 0.000 0.427 2332 E N 1.634 121.985 120.200 0.251 0.000 2.145 2332 E HA 0.373 4.723 4.350 0.000 0.000 0.262 2332 E C -2.600 173.723 176.600 -0.462 0.000 0.883 2332 E CA -1.943 54.413 56.400 -0.074 0.000 0.748 2332 E CB 1.737 31.411 29.700 -0.042 0.000 1.140 2332 E HN -0.025 nan 8.360 nan 0.000 0.417 2333 P HA 0.144 nan 4.420 nan 0.000 0.286 2333 P C -0.776 175.948 177.300 -0.960 0.000 1.269 2333 P CA -0.708 61.524 63.100 -1.446 0.000 0.787 2333 P CB 0.648 30.900 31.700 -2.412 0.000 0.920 2334 L N 2.545 123.391 121.223 -0.628 0.000 2.371 2334 L HA 0.451 4.791 4.340 0.000 0.000 0.272 2334 L C -0.032 176.503 176.870 -0.559 0.000 1.124 2334 L CA 0.306 54.854 54.840 -0.487 0.000 0.816 2334 L CB -0.202 41.719 42.059 -0.231 0.000 1.129 2334 L HN 0.323 nan 8.230 nan 0.000 0.448 2335 H N 5.072 124.066 119.070 -0.128 0.000 2.632 2335 H HA 0.407 4.963 4.556 0.000 0.000 0.258 2335 H C 0.298 175.587 175.328 -0.065 0.000 1.278 2335 H CA -0.585 55.406 56.048 -0.095 0.000 1.352 2335 H CB 0.356 30.067 29.762 -0.087 0.000 1.418 2335 H HN 0.809 nan 8.280 nan 0.000 0.513 2336 I N -0.741 119.837 120.570 0.013 0.000 3.543 2336 I HA 0.160 4.330 4.170 0.000 0.000 0.262 2336 I C 0.395 176.523 176.117 0.018 0.000 1.301 2336 I CA -0.142 61.154 61.300 -0.007 0.000 1.242 2336 I CB 0.530 38.500 38.000 -0.051 0.000 1.402 2336 I HN 0.131 nan 8.210 nan 0.000 0.671 2342 I N 1.312 121.921 120.570 0.065 0.000 3.062 2342 I HA 0.761 4.931 4.170 0.000 0.000 0.318 2342 I C 1.029 177.184 176.117 0.063 0.000 1.026 2342 I CA -0.278 61.056 61.300 0.057 0.000 1.096 2342 I CB 1.314 39.347 38.000 0.057 0.000 1.348 2342 I HN 0.270 nan 8.210 nan 0.000 0.543 2343 K N 3.202 123.634 120.400 0.053 0.000 2.174 2343 K HA 0.044 4.364 4.320 0.000 0.000 0.247 2343 K C -2.274 174.368 176.600 0.071 0.000 1.056 2343 K CA 0.061 56.381 56.287 0.055 0.000 0.799 2343 K CB -0.796 31.732 32.500 0.045 0.000 1.066 2343 K HN 0.445 nan 8.250 nan 0.000 0.530 2344 P HA -0.192 nan 4.420 nan 0.000 0.078 2344 P C -0.390 176.981 177.300 0.117 0.000 0.726 2344 P CA 0.989 64.143 63.100 0.090 0.000 1.045 2344 P CB -0.710 31.044 31.700 0.090 0.000 1.739 2345 G N 1.915 110.777 108.800 0.104 0.000 2.670 2345 G HA2 0.216 4.176 3.960 0.000 0.000 0.233 2345 G HA3 0.216 4.176 3.960 0.000 0.000 0.233 2345 G C -0.774 174.215 174.900 0.148 0.000 1.251 2345 G CA -0.139 45.027 45.100 0.109 0.000 0.849 2345 G HN 0.435 nan 8.290 nan 0.000 0.588 2346 F N 1.187 121.089 119.950 -0.081 0.000 2.730 2346 F HA 0.391 4.918 4.527 0.000 0.000 0.335 2346 F C -0.084 175.520 175.800 -0.326 0.000 1.212 2346 F CA -1.046 56.826 58.000 -0.212 0.000 1.016 2346 F CB 1.267 40.081 39.000 -0.310 0.000 1.290 2346 F HN 0.355 nan 8.300 nan 0.000 0.495 2347 I N 6.894 127.112 120.570 -0.587 0.000 2.372 2347 I HA 0.081 4.251 4.170 0.000 0.000 0.298 2347 I C 0.322 176.231 176.117 -0.348 0.000 1.137 2347 I CA -0.070 61.016 61.300 -0.358 0.000 1.314 2347 I CB -0.392 37.431 38.000 -0.295 0.000 1.444 2347 I HN 0.417 nan 8.210 nan 0.000 0.541 2348 H N 3.789 122.901 119.070 0.071 0.000 2.790 2348 H HA 0.060 4.616 4.556 0.000 0.000 0.358 2348 H C 0.394 175.755 175.328 0.055 0.000 1.103 2348 H CA 0.022 56.160 56.048 0.151 0.000 1.426 2348 H CB 1.335 31.189 29.762 0.154 0.000 1.424 2348 H HN 0.429 nan 8.280 nan 0.000 0.599 2349 S N 2.897 118.697 115.700 0.167 0.000 2.465 2349 S HA 0.110 4.580 4.470 0.000 0.000 0.279 2349 S C -1.556 173.086 174.600 0.071 0.000 1.201 2349 S CA -1.462 56.815 58.200 0.129 0.000 1.053 2349 S CB 0.688 63.970 63.200 0.137 0.000 0.953 2349 S HN 0.375 nan 8.310 nan 0.000 0.488 2350 P HA -0.035 nan 4.420 nan 0.000 0.219 2350 P C 0.304 177.418 177.300 -0.310 0.000 1.146 2350 P CA 1.128 64.112 63.100 -0.193 0.000 0.808 2350 P CB 0.061 31.609 31.700 -0.253 0.000 0.779 2351 W N -0.274 121.043 121.300 0.029 0.000 2.481 2351 W HA 0.113 4.773 4.660 0.000 0.000 0.293 2351 W C 2.512 179.047 176.519 0.026 0.000 1.201 2351 W CA 0.506 57.910 57.345 0.097 0.000 1.328 2351 W CB -0.494 29.110 29.460 0.242 0.000 1.112 2351 W HN -0.178 nan 8.180 nan 0.000 0.546 2352 K N 0.920 121.265 120.400 -0.091 0.000 2.063 2352 K HA -0.208 4.112 4.320 0.000 0.000 0.208 2352 K C 2.106 178.491 176.600 -0.359 0.000 1.048 2352 K CA 2.114 57.865 56.287 -0.893 0.000 0.928 2352 K CB -0.366 31.327 32.500 -1.345 0.000 0.713 2352 K HN 0.176 nan 8.250 nan 0.000 0.442 2353 S N 0.550 116.142 115.700 -0.181 0.000 2.355 2353 S HA -0.100 4.370 4.470 0.000 0.000 0.222 2353 S C 2.278 176.850 174.600 -0.047 0.000 1.031 2353 S CA 0.968 59.101 58.200 -0.111 0.000 0.993 2353 S CB -0.507 62.624 63.200 -0.114 0.000 0.859 2353 S HN 0.399 nan 8.310 nan 0.000 0.453 2354 A N 0.958 123.749 122.820 -0.048 0.000 1.908 2354 A HA -0.107 4.213 4.320 0.000 0.000 0.218 2354 A C 2.070 179.716 177.584 0.103 0.000 1.181 2354 A CA 1.733 53.758 52.037 -0.021 0.000 0.627 2354 A CB -1.268 17.677 19.000 -0.093 0.000 0.818 2354 A HN 0.676 nan 8.150 nan 0.000 0.445 2355 Y N 0.289 120.649 120.300 0.100 0.000 2.163 2355 Y HA -0.164 4.386 4.550 0.000 0.000 0.288 2355 Y C 2.062 178.036 175.900 0.123 0.000 1.136 2355 Y CA 1.880 60.085 58.100 0.174 0.000 1.147 2355 Y CB -0.189 38.450 38.460 0.299 0.000 0.987 2355 Y HN 0.268 nan 8.280 nan 0.000 0.509 2356 I N 0.092 120.820 120.570 0.262 0.000 2.179 2356 I HA -0.338 3.832 4.170 0.000 0.000 0.242 2356 I C 2.699 178.892 176.117 0.127 0.000 1.088 2356 I CA 1.622 63.053 61.300 0.218 0.000 1.357 2356 I CB -0.546 37.509 38.000 0.091 0.000 1.051 2356 I HN 0.188 nan 8.210 nan 0.000 0.409 2357 R N 0.748 121.281 120.500 0.055 0.000 2.112 2357 R HA -0.319 4.021 4.340 0.000 0.000 0.242 2357 R C 2.404 178.726 176.300 0.036 0.000 1.137 2357 R CA 2.350 58.469 56.100 0.033 0.000 0.944 2357 R CB -0.297 30.006 30.300 0.004 0.000 0.857 2357 R HN 0.240 nan 8.270 nan 0.000 0.435 2358 Q N -0.105 119.691 119.800 -0.006 0.000 2.002 2358 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 2358 Q C 1.966 177.951 176.000 -0.025 0.000 0.988 2358 Q CA 2.475 58.256 55.803 -0.036 0.000 0.843 2358 Q CB -0.725 27.930 28.738 -0.138 0.000 0.908 2358 Q HN 0.615 nan 8.270 nan 0.000 0.420 2359 H N -0.167 118.810 119.070 -0.156 0.000 2.325 2359 H HA -0.145 4.411 4.556 0.000 0.000 0.293 2359 H C 1.915 177.279 175.328 0.061 0.000 1.106 2359 H CA 2.518 58.539 56.048 -0.046 0.000 1.247 2359 H CB 0.031 29.827 29.762 0.056 0.000 1.359 2359 H HN 0.204 nan 8.280 nan 0.000 0.488 2360 R N -0.247 120.226 120.500 -0.046 0.000 2.066 2360 R HA -0.046 4.294 4.340 0.000 0.000 0.232 2360 R C 2.736 179.044 176.300 0.013 0.000 1.131 2360 R CA 1.548 57.614 56.100 -0.056 0.000 0.955 2360 R CB -0.297 30.034 30.300 0.051 0.000 0.851 2360 R HN 0.371 nan 8.270 nan 0.000 0.432 2361 I N 1.333 121.954 120.570 0.085 0.000 2.091 2361 I HA -0.340 3.830 4.170 0.000 0.000 0.239 2361 I C 1.768 178.084 176.117 0.332 0.000 1.061 2361 I CA 1.458 62.882 61.300 0.207 0.000 1.317 2361 I CB -0.442 37.700 38.000 0.235 0.000 1.031 2361 I HN 0.170 nan 8.210 nan 0.000 0.401 2362 D N 0.483 121.032 120.400 0.248 0.000 2.133 2362 D HA -0.184 4.456 4.640 0.000 0.000 0.192 2362 D C 2.162 178.663 176.300 0.335 0.000 1.001 2362 D CA 2.021 56.231 54.000 0.350 0.000 0.844 2362 D CB -0.540 40.320 40.800 0.100 0.000 0.944 2362 D HN 0.326 nan 8.370 nan 0.000 0.447 2363 T N 0.682 115.271 114.554 0.058 0.000 2.746 2363 T HA -0.169 4.182 4.350 0.000 0.000 0.267 2363 T C 1.703 176.435 174.700 0.054 0.000 1.039 2363 T CA 1.317 63.418 62.100 0.000 0.000 1.142 2363 T CB -0.346 68.414 68.868 -0.181 0.000 0.866 2363 T HN 0.075 nan 8.240 nan 0.000 0.444 2364 N N -0.092 118.655 118.700 0.079 0.000 2.149 2364 N HA -0.094 4.646 4.740 0.000 0.000 0.188 2364 N C 1.411 176.998 175.510 0.130 0.000 1.019 2364 N CA 1.230 54.341 53.050 0.101 0.000 0.857 2364 N CB -0.289 38.264 38.487 0.109 0.000 0.997 2364 N HN 0.527 nan 8.380 nan 0.000 0.426 2365 W N 1.220 122.427 121.300 -0.155 0.000 2.381 2365 W HA 0.021 4.681 4.660 0.000 0.000 0.323 2365 W C 2.698 178.830 176.519 -0.645 0.000 1.194 2365 W CA 1.572 58.428 57.345 -0.814 0.000 1.296 2365 W CB -0.782 28.092 29.460 -0.976 0.000 1.175 2365 W HN 0.006 nan 8.180 nan 0.000 0.465 2366 R N 0.904 121.248 120.500 -0.261 0.000 2.369 2366 R HA -0.258 4.082 4.340 0.000 0.000 0.208 2366 R C 2.031 178.257 176.300 -0.124 0.000 1.030 2366 R CA 2.915 58.895 56.100 -0.199 0.000 0.812 2366 R CB -0.713 29.663 30.300 0.127 0.000 0.765 2366 R HN 0.213 nan 8.270 nan 0.000 0.441 2367 R N 0.197 120.674 120.500 -0.039 0.000 2.388 2367 R HA 0.211 4.551 4.340 0.000 0.000 0.247 2367 R C 0.106 176.400 176.300 -0.011 0.000 0.931 2367 R CA 0.332 56.411 56.100 -0.034 0.000 1.082 2367 R CB 0.264 30.556 30.300 -0.014 0.000 1.135 2367 R HN 0.312 nan 8.270 nan 0.000 0.525 2368 G N 1.976 110.784 108.800 0.013 0.000 2.334 2368 G HA2 -0.092 3.868 3.960 0.000 0.000 0.261 2368 G HA3 -0.092 3.868 3.960 0.000 0.000 0.261 2368 G C -0.405 174.506 174.900 0.018 0.000 1.257 2368 G CA -0.367 44.753 45.100 0.032 0.000 0.935 2368 G HN 0.447 nan 8.290 nan 0.000 0.480 2369 E N 2.645 122.831 120.200 -0.023 0.000 2.820 2369 E HA -0.104 4.246 4.350 0.000 0.000 0.251 2369 E C 0.102 176.641 176.600 -0.101 0.000 0.944 2369 E CA -0.609 55.760 56.400 -0.051 0.000 0.955 2369 E CB 0.242 29.909 29.700 -0.055 0.000 0.904 2369 E HN 0.091 nan 8.360 nan 0.000 0.513 2370 L N 5.923 127.086 121.223 -0.100 0.000 2.534 2370 L HA -0.038 4.302 4.340 0.000 0.000 0.271 2370 L C 1.358 178.109 176.870 -0.199 0.000 1.178 2370 L CA 0.917 55.648 54.840 -0.181 0.000 0.907 2370 L CB 0.162 42.152 42.059 -0.116 0.000 1.164 2370 L HN 0.671 nan 8.230 nan 0.000 0.482 2371 K N 1.625 121.856 120.400 -0.283 0.000 2.525 2371 K HA 0.022 4.342 4.320 0.000 0.000 0.192 2371 K C 0.326 176.821 176.600 -0.175 0.000 1.029 2371 K CA 0.573 56.729 56.287 -0.218 0.000 1.029 2371 K CB 0.015 32.367 32.500 -0.248 0.000 0.814 2371 K HN 0.832 nan 8.250 nan 0.000 0.503 2372 S N 0.526 116.122 115.700 -0.173 0.000 3.601 2372 S HA -0.048 4.422 4.470 0.000 0.000 0.730 2372 S C -2.207 172.299 174.600 -0.157 0.000 0.515 2372 S CA -0.980 57.139 58.200 -0.136 0.000 1.463 2372 S CB -1.529 61.610 63.200 -0.103 0.000 0.924 2372 S HN 0.176 nan 8.310 nan 0.000 1.050 2373 P HA 0.197 nan 4.420 nan 0.000 0.268 2373 P C -0.339 176.874 177.300 -0.145 0.000 1.208 2373 P CA -0.105 62.887 63.100 -0.179 0.000 0.777 2373 P CB 0.489 32.088 31.700 -0.168 0.000 0.875 2374 K N 1.439 121.751 120.400 -0.148 0.000 2.315 2374 K HA 0.213 4.533 4.320 0.000 0.000 0.291 2374 K C -0.284 176.234 176.600 -0.136 0.000 1.074 2374 K CA -0.431 55.784 56.287 -0.119 0.000 0.936 2374 K CB 0.086 32.523 32.500 -0.104 0.000 1.049 2374 K HN 0.236 nan 8.250 nan 0.000 0.471 2375 V N 5.812 125.658 119.914 -0.113 0.000 2.572 2375 V HA 0.020 4.140 4.120 0.000 0.000 0.291 2375 V C 0.539 176.551 176.094 -0.135 0.000 1.039 2375 V CA -0.005 62.219 62.300 -0.125 0.000 1.055 2375 V CB 0.512 32.284 31.823 -0.086 0.000 0.969 2375 V HN 0.601 nan 8.190 nan 0.000 0.482 2376 L N 4.768 125.841 121.223 -0.250 0.000 2.599 2376 L HA 0.382 4.722 4.340 0.000 0.000 0.241 2376 L C 0.214 176.912 176.870 -0.287 0.000 1.207 2376 L CA -0.794 53.823 54.840 -0.372 0.000 0.987 2376 L CB 0.325 41.754 42.059 -1.051 0.000 1.318 2376 L HN 0.530 nan 8.230 nan 0.000 0.458 2377 K N 1.899 122.284 120.400 -0.025 0.000 2.473 2377 K HA 0.304 4.624 4.320 0.000 0.000 0.277 2377 K C 0.449 177.175 176.600 0.209 0.000 1.052 2377 K CA 0.551 56.871 56.287 0.056 0.000 1.114 2377 K CB 0.446 32.986 32.500 0.067 0.000 0.869 2377 K HN 0.644 nan 8.250 nan 0.000 0.481 2378 G N 1.400 110.311 108.800 0.186 0.000 2.579 2378 G HA2 0.347 4.307 3.960 0.000 0.000 0.292 2378 G HA3 0.347 4.307 3.960 0.000 0.000 0.292 2378 G C -1.410 173.585 174.900 0.158 0.000 1.484 2378 G CA -0.823 44.414 45.100 0.229 0.000 0.813 2378 G HN 0.817 nan 8.290 nan 0.000 0.515 2379 H N -0.784 118.400 119.070 0.190 0.000 2.839 2379 H HA -0.148 4.408 4.556 0.000 0.000 0.298 2379 H C -0.076 175.372 175.328 0.199 0.000 1.224 2379 H CA 0.601 56.736 56.048 0.145 0.000 1.144 2379 H CB -1.129 28.701 29.762 0.113 0.000 1.372 2379 H HN 0.650 nan 8.280 nan 0.000 0.408 2380 D N 1.358 121.900 120.400 0.236 0.000 2.795 2380 D HA -0.045 4.595 4.640 0.000 0.000 0.221 2380 D C 0.840 177.264 176.300 0.205 0.000 1.108 2380 D CA 1.572 55.686 54.000 0.190 0.000 0.832 2380 D CB 0.194 41.073 40.800 0.132 0.000 1.183 2380 D HN 0.529 nan 8.370 nan 0.000 0.503 2381 D N -0.128 120.337 120.400 0.108 0.000 2.845 2381 D HA -0.222 4.418 4.640 0.000 0.000 0.229 2381 D C -0.094 176.082 176.300 -0.206 0.000 1.170 2381 D CA 1.135 55.122 54.000 -0.021 0.000 0.717 2381 D CB -0.566 40.183 40.800 -0.085 0.000 1.073 2381 D HN 0.442 nan 8.370 nan 0.000 0.424 2382 H N -1.752 117.382 119.070 0.106 0.000 2.949 2382 H HA 0.581 5.137 4.556 0.000 0.000 0.356 2382 H C -0.309 174.935 175.328 -0.141 0.000 1.212 2382 H CA -0.814 55.233 56.048 -0.003 0.000 1.136 2382 H CB 1.443 31.195 29.762 -0.018 0.000 1.869 2382 H HN -0.179 nan 8.280 nan 0.000 0.556 2383 V N 2.658 122.387 119.914 -0.307 0.000 2.439 2383 V HA 0.194 4.314 4.120 0.000 0.000 0.282 2383 V C 0.785 176.248 176.094 -1.051 0.000 1.039 2383 V CA -0.532 61.113 62.300 -1.091 0.000 0.913 2383 V CB 1.078 32.269 31.823 -1.055 0.000 0.983 2383 V HN 0.460 nan 8.190 nan 0.000 0.460 2384 I N 5.016 124.913 120.570 -1.122 0.000 2.311 2384 I HA 0.047 4.217 4.170 0.000 0.000 0.297 2384 I C 1.723 177.460 176.117 -0.633 0.000 1.131 2384 I CA 0.106 61.045 61.300 -0.602 0.000 1.289 2384 I CB 0.977 38.934 38.000 -0.072 0.000 1.446 2384 I HN 0.880 nan 8.210 nan 0.000 0.524 2385 T N 1.092 115.197 114.554 -0.749 0.000 3.085 2385 T HA 0.001 4.351 4.350 0.000 0.000 0.263 2385 T C 0.488 175.010 174.700 -0.297 0.000 1.127 2385 T CA -0.111 61.582 62.100 -0.678 0.000 1.103 2385 T CB -0.482 67.626 68.868 -1.268 0.000 0.921 2385 T HN 0.683 nan 8.240 nan 0.000 0.510 2386 C N -0.301 118.860 119.300 -0.231 0.000 3.181 2386 C HA 0.839 5.299 4.460 0.000 0.000 0.362 2386 C C -1.537 173.433 174.990 -0.034 0.000 1.125 2386 C CA -1.735 57.239 59.018 -0.073 0.000 1.265 2386 C CB 0.646 28.355 27.740 -0.051 0.000 1.632 2386 C HN 0.364 nan 8.230 nan 0.000 0.525 2387 L N 1.852 123.099 121.223 0.040 0.000 2.408 2387 L HA 0.855 5.195 4.340 0.000 0.000 0.268 2387 L C -0.792 176.147 176.870 0.115 0.000 0.986 2387 L CA 0.114 54.995 54.840 0.069 0.000 0.820 2387 L CB 2.019 44.122 42.059 0.074 0.000 1.303 2387 L HN 0.919 nan 8.230 nan 0.000 0.411 2388 Q N 2.820 122.704 119.800 0.140 0.000 2.347 2388 Q HA 0.583 4.923 4.340 0.000 0.000 0.271 2388 Q C -1.905 174.267 176.000 0.285 0.000 1.064 2388 Q CA -0.185 55.730 55.803 0.187 0.000 0.800 2388 Q CB 2.166 30.995 28.738 0.152 0.000 1.304 2388 Q HN 0.453 nan 8.270 nan 0.000 0.438 2389 F N 2.720 122.724 119.950 0.091 0.000 2.716 2389 F HA 0.440 4.967 4.527 0.000 0.000 0.354 2389 F C -1.468 174.383 175.800 0.085 0.000 1.168 2389 F CA -1.428 56.627 58.000 0.092 0.000 1.045 2389 F CB 0.853 39.911 39.000 0.095 0.000 1.311 2389 F HN 0.543 nan 8.300 nan 0.000 0.477 2390 C N 4.580 123.999 119.300 0.198 0.000 2.492 2390 C HA 0.623 5.083 4.460 0.000 0.000 0.284 2390 C C 0.709 175.680 174.990 -0.033 0.000 1.082 2390 C CA -0.446 58.576 59.018 0.006 0.000 1.555 2390 C CB -0.464 27.315 27.740 0.066 0.000 1.798 2390 C HN 1.186 nan 8.230 nan 0.000 0.413 2391 G N 4.515 113.159 108.800 -0.260 0.000 2.527 2391 G HA2 -0.258 3.702 3.960 0.000 0.000 0.183 2391 G HA3 -0.258 3.702 3.960 0.000 0.000 0.183 2391 G C 0.475 175.412 174.900 0.063 0.000 0.167 2391 G CA 1.060 46.064 45.100 -0.160 0.000 1.085 2391 G HN 1.044 nan 8.290 nan 0.000 0.502 2392 N N -1.005 117.822 118.700 0.212 0.000 2.927 2392 N HA -0.240 4.500 4.740 0.000 0.000 0.220 2392 N C 0.676 176.363 175.510 0.295 0.000 0.845 2392 N CA 1.716 54.926 53.050 0.267 0.000 1.089 2392 N CB -0.374 38.197 38.487 0.140 0.000 0.994 2392 N HN 0.651 nan 8.380 nan 0.000 0.616 2393 R N 1.104 121.785 120.500 0.300 0.000 2.295 2393 R HA 0.526 4.866 4.340 0.000 0.000 0.324 2393 R C -0.436 176.086 176.300 0.370 0.000 0.968 2393 R CA -0.326 55.934 56.100 0.268 0.000 0.837 2393 R CB 0.961 31.367 30.300 0.177 0.000 1.133 2393 R HN 0.203 nan 8.270 nan 0.000 0.450 2394 I N 2.501 123.257 120.570 0.310 0.000 2.404 2394 I HA 0.324 4.494 4.170 0.000 0.000 0.293 2394 I C -0.168 176.153 176.117 0.339 0.000 0.992 2394 I CA -1.035 60.417 61.300 0.254 0.000 1.149 2394 I CB 2.191 40.201 38.000 0.017 0.000 1.315 2394 I HN 0.063 nan 8.210 nan 0.000 0.446 2395 V N 4.974 125.041 119.914 0.255 0.000 2.325 2395 V HA 0.225 4.345 4.120 0.000 0.000 0.280 2395 V C 0.046 176.256 176.094 0.193 0.000 1.016 2395 V CA -0.572 61.860 62.300 0.220 0.000 0.818 2395 V CB 1.356 33.247 31.823 0.114 0.000 1.019 2395 V HN 0.846 nan 8.190 nan 0.000 0.434 2396 S N 3.316 119.212 115.700 0.327 0.000 2.452 2396 S HA 0.700 5.170 4.470 0.000 0.000 0.284 2396 S C 0.318 174.973 174.600 0.091 0.000 1.171 2396 S CA -0.357 57.987 58.200 0.241 0.000 1.064 2396 S CB 1.506 64.981 63.200 0.460 0.000 0.967 2396 S HN 0.889 nan 8.310 nan 0.000 0.484 2397 G N 1.034 109.751 108.800 -0.138 0.000 2.371 2397 G HA2 0.556 4.516 3.960 0.000 0.000 0.326 2397 G HA3 0.556 4.516 3.960 0.000 0.000 0.326 2397 G C -0.717 173.832 174.900 -0.586 0.000 1.127 2397 G CA -0.664 44.257 45.100 -0.299 0.000 0.885 2397 G HN 0.810 nan 8.290 nan 0.000 0.477 2398 S N -0.290 114.989 115.700 -0.702 0.000 2.595 2398 S HA 0.389 4.859 4.470 0.000 0.000 0.281 2398 S C 0.347 174.524 174.600 -0.705 0.000 1.117 2398 S CA -0.535 57.160 58.200 -0.842 0.000 0.873 2398 S CB 1.674 64.209 63.200 -1.108 0.000 1.108 2398 S HN 0.661 nan 8.310 nan 0.000 0.477 2399 D N 1.214 121.172 120.400 -0.737 0.000 2.338 2399 D HA -0.023 4.617 4.640 0.000 0.000 0.239 2399 D C 0.518 176.650 176.300 -0.280 0.000 1.095 2399 D CA 0.068 53.759 54.000 -0.514 0.000 0.888 2399 D CB -0.304 40.320 40.800 -0.294 0.000 0.899 2399 D HN 0.582 nan 8.370 nan 0.000 0.525 2400 D N 0.236 120.354 120.400 -0.470 0.000 2.460 2400 D HA -0.060 4.580 4.640 0.000 0.000 0.229 2400 D C -0.004 176.118 176.300 -0.296 0.000 1.170 2400 D CA -0.494 53.089 54.000 -0.695 0.000 0.827 2400 D CB -0.554 39.676 40.800 -0.950 0.000 0.973 2400 D HN -0.071 nan 8.370 nan 0.000 0.496 2401 N N -0.378 118.203 118.700 -0.198 0.000 2.809 2401 N HA -0.199 4.541 4.740 0.000 0.000 0.244 2401 N C 0.191 175.679 175.510 -0.037 0.000 1.018 2401 N CA 1.785 54.793 53.050 -0.069 0.000 0.917 2401 N CB -2.098 36.401 38.487 0.021 0.000 1.130 2401 N HN 0.683 nan 8.380 nan 0.000 0.591 2402 T N -2.153 112.341 114.554 -0.100 0.000 2.910 2402 T HA 0.804 5.154 4.350 0.000 0.000 0.287 2402 T C -0.279 174.366 174.700 -0.092 0.000 1.050 2402 T CA -0.864 61.192 62.100 -0.073 0.000 1.011 2402 T CB 2.336 71.182 68.868 -0.037 0.000 1.195 2402 T HN 0.050 nan 8.240 nan 0.000 0.540 2403 L N 0.385 121.512 121.223 -0.158 0.000 2.388 2403 L HA 0.662 5.002 4.340 0.000 0.000 0.264 2403 L C -0.444 176.353 176.870 -0.122 0.000 0.998 2403 L CA -0.802 53.959 54.840 -0.132 0.000 0.817 2403 L CB 2.444 44.283 42.059 -0.367 0.000 1.338 2403 L HN 0.708 nan 8.230 nan 0.000 0.414 2404 K N 1.447 121.857 120.400 0.016 0.000 2.426 2404 K HA 0.670 4.990 4.320 0.000 0.000 0.254 2404 K C -1.455 174.982 176.600 -0.272 0.000 0.936 2404 K CA -0.789 55.334 56.287 -0.273 0.000 0.801 2404 K CB 2.660 34.886 32.500 -0.457 0.000 1.139 2404 K HN 0.209 nan 8.250 nan 0.000 0.424 2405 V N 3.096 122.782 119.914 -0.379 0.000 2.383 2405 V HA 0.346 4.466 4.120 0.000 0.000 0.275 2405 V C -0.756 175.159 176.094 -0.299 0.000 1.036 2405 V CA -0.630 61.571 62.300 -0.165 0.000 0.889 2405 V CB -0.209 31.554 31.823 -0.099 0.000 0.985 2405 V HN 0.639 nan 8.190 nan 0.000 0.459 2406 W N 1.828 123.121 121.300 -0.011 0.000 2.804 2406 W HA 0.660 5.320 4.660 0.000 0.000 0.352 2406 W C 0.379 176.905 176.519 0.011 0.000 1.153 2406 W CA -1.013 56.323 57.345 -0.016 0.000 1.119 2406 W CB 1.198 30.636 29.460 -0.037 0.000 1.448 2406 W HN 0.374 nan 8.180 nan 0.000 0.600 2407 S N 0.670 116.536 115.700 0.277 0.000 2.520 2407 S HA 0.493 4.963 4.470 0.000 0.000 0.324 2407 S C 0.804 175.498 174.600 0.157 0.000 1.069 2407 S CA -0.087 58.221 58.200 0.180 0.000 1.121 2407 S CB 0.504 63.775 63.200 0.118 0.000 0.971 2407 S HN 0.594 nan 8.310 nan 0.000 0.463 2408 A N 4.931 127.847 122.820 0.160 0.000 2.076 2408 A HA -0.017 4.303 4.320 0.000 0.000 0.220 2408 A C 1.744 179.377 177.584 0.082 0.000 1.160 2408 A CA 1.801 53.885 52.037 0.077 0.000 0.653 2408 A CB -0.627 18.513 19.000 0.233 0.000 0.801 2408 A HN 0.727 nan 8.150 nan 0.000 0.455 2409 V N -0.051 119.927 119.914 0.107 0.000 2.232 2409 V HA -0.199 3.921 4.120 0.000 0.000 0.239 2409 V C 2.988 179.109 176.094 0.044 0.000 1.040 2409 V CA 2.424 64.767 62.300 0.072 0.000 0.996 2409 V CB -1.572 30.295 31.823 0.073 0.000 0.638 2409 V HN 0.761 nan 8.190 nan 0.000 0.453 2410 T N -1.962 112.624 114.554 0.054 0.000 2.851 2410 T HA 0.171 4.521 4.350 0.000 0.000 0.262 2410 T C 1.649 176.379 174.700 0.050 0.000 1.043 2410 T CA 1.665 63.791 62.100 0.042 0.000 1.140 2410 T CB 0.052 68.947 68.868 0.045 0.000 0.872 2410 T HN 1.342 nan 8.240 nan 0.000 0.446 2411 G N 1.147 110.000 108.800 0.089 0.000 2.176 2411 G HA2 -0.191 3.769 3.960 0.000 0.000 0.232 2411 G HA3 -0.191 3.769 3.960 0.000 0.000 0.232 2411 G C -0.006 175.032 174.900 0.230 0.000 0.986 2411 G CA 0.034 45.200 45.100 0.111 0.000 0.643 2411 G HN 0.696 nan 8.290 nan 0.000 0.522 2412 K N 0.084 120.588 120.400 0.174 0.000 2.218 2412 K HA 0.435 4.755 4.320 0.000 0.000 0.276 2412 K C 0.597 177.261 176.600 0.107 0.000 1.022 2412 K CA -0.240 56.130 56.287 0.139 0.000 0.946 2412 K CB 1.436 33.965 32.500 0.048 0.000 1.000 2412 K HN 0.265 nan 8.250 nan 0.000 0.468 2413 C N 5.369 124.612 119.300 -0.094 0.000 2.624 2413 C HA 0.142 4.602 4.460 0.000 0.000 0.397 2413 C C 1.739 176.511 174.990 -0.363 0.000 1.331 2413 C CA -0.476 58.172 59.018 -0.616 0.000 1.716 2413 C CB -1.513 25.654 27.740 -0.955 0.000 2.452 2413 C HN 0.810 nan 8.230 nan 0.000 0.586 2414 L N 4.868 125.899 121.223 -0.319 0.000 2.209 2414 L HA 0.254 4.594 4.340 0.000 0.000 0.207 2414 L C 1.548 178.299 176.870 -0.199 0.000 1.094 2414 L CA 0.832 55.563 54.840 -0.182 0.000 0.790 2414 L CB -0.445 41.556 42.059 -0.097 0.000 0.932 2414 L HN 0.647 nan 8.230 nan 0.000 0.447 2415 R N -1.163 119.163 120.500 -0.290 0.000 2.728 2415 R HA 0.394 4.734 4.340 0.000 0.000 0.274 2415 R C -1.275 174.829 176.300 -0.327 0.000 1.030 2415 R CA -0.422 55.537 56.100 -0.235 0.000 0.876 2415 R CB 2.011 32.228 30.300 -0.138 0.000 1.259 2415 R HN -0.272 nan 8.270 nan 0.000 0.468 2416 T N 2.177 116.578 114.554 -0.255 0.000 3.038 2416 T HA 0.296 4.646 4.350 0.000 0.000 0.344 2416 T C 0.240 174.789 174.700 -0.252 0.000 1.054 2416 T CA -0.628 61.305 62.100 -0.279 0.000 1.092 2416 T CB 0.442 69.165 68.868 -0.242 0.000 1.031 2416 T HN 0.292 nan 8.240 nan 0.000 0.482 2417 L N 3.621 124.579 121.223 -0.441 0.000 2.717 2417 L HA 0.119 4.459 4.340 0.000 0.000 0.281 2417 L C 0.935 177.498 176.870 -0.512 0.000 1.329 2417 L CA -0.347 53.973 54.840 -0.867 0.000 1.202 2417 L CB -1.176 39.718 42.059 -1.941 0.000 1.425 2417 L HN 0.462 nan 8.230 nan 0.000 0.438 2418 V N -0.515 119.370 119.914 -0.047 0.000 2.488 2418 V HA 0.819 4.939 4.120 0.000 0.000 0.277 2418 V C 0.794 177.087 176.094 0.331 0.000 1.046 2418 V CA 0.526 62.884 62.300 0.096 0.000 0.986 2418 V CB 1.100 32.955 31.823 0.053 0.000 0.989 2418 V HN 0.748 nan 8.190 nan 0.000 0.475 2419 G N 3.059 112.050 108.800 0.318 0.000 4.073 2419 G HA2 0.029 3.989 3.960 0.000 0.000 0.183 2419 G HA3 0.029 3.989 3.960 0.000 0.000 0.183 2419 G C 0.235 175.205 174.900 0.116 0.000 0.873 2419 G CA -0.368 44.877 45.100 0.242 0.000 0.937 2419 G HN 0.769 nan 8.290 nan 0.000 0.344 2420 H N 1.583 120.791 119.070 0.230 0.000 2.790 2420 H HA 0.288 4.844 4.556 0.000 0.000 0.358 2420 H C 1.649 177.029 175.328 0.088 0.000 1.103 2420 H CA 1.355 57.486 56.048 0.139 0.000 1.426 2420 H CB 1.784 31.623 29.762 0.129 0.000 1.424 2420 H HN 0.340 nan 8.280 nan 0.000 0.599 2421 T N -0.309 114.367 114.554 0.203 0.000 3.014 2421 T HA 0.190 4.540 4.350 0.000 0.000 0.250 2421 T C 1.029 175.807 174.700 0.131 0.000 1.060 2421 T CA 0.125 62.306 62.100 0.134 0.000 1.040 2421 T CB 0.391 69.323 68.868 0.107 0.000 0.971 2421 T HN 0.544 nan 8.240 nan 0.000 0.497 2422 G N 0.014 108.914 108.800 0.166 0.000 2.509 2422 G HA2 0.592 4.552 3.960 0.000 0.000 0.328 2422 G HA3 0.592 4.552 3.960 0.000 0.000 0.328 2422 G C 0.094 175.059 174.900 0.109 0.000 1.194 2422 G CA -0.617 44.566 45.100 0.140 0.000 0.967 2422 G HN 0.436 nan 8.290 nan 0.000 0.488 2423 G N -0.992 107.895 108.800 0.144 0.000 2.441 2423 G HA2 0.408 4.368 3.960 0.000 0.000 0.243 2423 G HA3 0.408 4.368 3.960 0.000 0.000 0.243 2423 G C 0.123 174.974 174.900 -0.081 0.000 1.281 2423 G CA -0.189 44.932 45.100 0.035 0.000 0.854 2423 G HN 0.627 nan 8.290 nan 0.000 0.560 2424 V N 2.232 121.916 119.914 -0.383 0.000 2.637 2424 V HA 0.169 4.289 4.120 0.000 0.000 0.296 2424 V C 0.143 175.842 176.094 -0.658 0.000 1.046 2424 V CA 0.437 62.468 62.300 -0.449 0.000 1.066 2424 V CB 1.010 32.569 31.823 -0.441 0.000 0.968 2424 V HN 0.948 nan 8.190 nan 0.000 0.483 2425 W N 1.650 122.842 121.300 -0.180 0.000 2.413 2425 W HA 0.276 4.936 4.660 0.000 0.000 0.288 2425 W C 0.649 177.119 176.519 -0.082 0.000 0.958 2425 W CA 0.215 57.485 57.345 -0.125 0.000 1.333 2425 W CB 0.538 29.937 29.460 -0.101 0.000 1.002 2425 W HN 0.633 nan 8.180 nan 0.000 0.562 2426 S N -0.292 115.447 115.700 0.065 0.000 2.540 2426 S HA 0.779 5.249 4.470 0.000 0.000 0.275 2426 S C -0.809 173.811 174.600 0.033 0.000 1.123 2426 S CA -0.671 57.572 58.200 0.071 0.000 0.907 2426 S CB 2.277 65.536 63.200 0.098 0.000 1.081 2426 S HN -0.118 nan 8.310 nan 0.000 0.476 2427 S N 1.324 117.059 115.700 0.057 0.000 2.564 2427 S HA 0.741 5.211 4.470 0.000 0.000 0.274 2427 S C -2.012 172.649 174.600 0.102 0.000 1.124 2427 S CA -0.455 57.780 58.200 0.059 0.000 0.869 2427 S CB 1.609 64.820 63.200 0.018 0.000 1.105 2427 S HN 0.747 nan 8.310 nan 0.000 0.472 2428 Q N 1.874 121.741 119.800 0.110 0.000 2.418 2428 Q HA 0.513 4.853 4.340 0.000 0.000 0.282 2428 Q C -1.353 174.713 176.000 0.110 0.000 1.044 2428 Q CA -0.475 55.398 55.803 0.116 0.000 0.813 2428 Q CB 2.398 31.206 28.738 0.116 0.000 1.428 2428 Q HN 0.878 nan 8.270 nan 0.000 0.402 2429 M N 1.072 120.732 119.600 0.100 0.000 2.569 2429 M HA 0.572 5.052 4.480 0.000 0.000 0.279 2429 M C -1.717 174.628 176.300 0.075 0.000 1.253 2429 M CA -0.395 54.964 55.300 0.098 0.000 0.867 2429 M CB 2.346 35.012 32.600 0.109 0.000 1.727 2429 M HN 0.494 nan 8.290 nan 0.000 0.467 2430 R N 3.458 123.999 120.500 0.068 0.000 3.179 2430 R HA 0.154 4.494 4.340 0.000 0.000 0.231 2430 R C -1.684 174.644 176.300 0.048 0.000 1.796 2430 R CA -0.099 56.027 56.100 0.045 0.000 1.233 2430 R CB 0.560 30.876 30.300 0.027 0.000 1.545 2430 R HN 1.044 nan 8.270 nan 0.000 0.552 2431 D N 2.487 122.917 120.400 0.051 0.000 4.505 2431 D HA -0.294 4.346 4.640 0.000 0.000 0.208 2431 D C 0.451 176.786 176.300 0.058 0.000 0.977 2431 D CA 1.408 55.438 54.000 0.051 0.000 1.132 2431 D CB -0.226 40.594 40.800 0.035 0.000 0.891 2431 D HN 0.901 nan 8.370 nan 0.000 0.484 2432 N N -0.177 118.565 118.700 0.069 0.000 2.895 2432 N HA -0.245 4.495 4.740 0.000 0.000 0.237 2432 N C -0.500 175.067 175.510 0.095 0.000 0.934 2432 N CA 1.056 54.151 53.050 0.075 0.000 0.984 2432 N CB -0.225 38.298 38.487 0.059 0.000 1.089 2432 N HN 0.454 nan 8.380 nan 0.000 0.604 2433 I N 2.460 123.087 120.570 0.095 0.000 2.428 2433 I HA 0.388 4.558 4.170 0.000 0.000 0.279 2433 I C 0.116 176.316 176.117 0.138 0.000 1.040 2433 I CA -0.381 60.988 61.300 0.115 0.000 1.171 2433 I CB 0.723 38.774 38.000 0.085 0.000 1.312 2433 I HN 0.080 nan 8.210 nan 0.000 0.470 2434 I N 6.752 127.442 120.570 0.199 0.000 2.385 2434 I HA 0.394 4.564 4.170 0.000 0.000 0.294 2434 I C -0.190 176.121 176.117 0.323 0.000 0.988 2434 I CA -0.549 60.878 61.300 0.211 0.000 1.265 2434 I CB 1.559 39.654 38.000 0.157 0.000 1.388 2434 I HN 0.290 nan 8.210 nan 0.000 0.480 2435 I N 5.464 126.181 120.570 0.245 0.000 2.418 2435 I HA 0.270 4.440 4.170 0.000 0.000 0.287 2435 I C -0.191 176.067 176.117 0.234 0.000 1.008 2435 I CA -0.087 61.362 61.300 0.248 0.000 1.104 2435 I CB 1.790 39.870 38.000 0.133 0.000 1.264 2435 I HN 0.523 nan 8.210 nan 0.000 0.438 2436 S N 3.521 119.432 115.700 0.352 0.000 2.503 2436 S HA 0.903 5.373 4.470 0.000 0.000 0.301 2436 S C -0.229 174.468 174.600 0.162 0.000 1.087 2436 S CA -0.800 57.535 58.200 0.226 0.000 1.042 2436 S CB 1.884 65.233 63.200 0.248 0.000 1.043 2436 S HN 0.764 nan 8.310 nan 0.000 0.489 2437 G N 0.324 109.133 108.800 0.015 0.000 2.415 2437 G HA2 0.594 4.554 3.960 0.000 0.000 0.327 2437 G HA3 0.594 4.554 3.960 0.000 0.000 0.327 2437 G C -0.758 174.086 174.900 -0.094 0.000 1.182 2437 G CA -0.636 44.468 45.100 0.006 0.000 0.924 2437 G HN 0.853 nan 8.290 nan 0.000 0.470 2438 S N -0.199 115.459 115.700 -0.071 0.000 2.671 2438 S HA 0.594 5.064 4.470 0.000 0.000 0.299 2438 S C 1.654 176.311 174.600 0.096 0.000 1.116 2438 S CA 0.225 58.394 58.200 -0.052 0.000 0.912 2438 S CB 1.347 64.424 63.200 -0.205 0.000 1.130 2438 S HN 0.818 nan 8.310 nan 0.000 0.501 2439 T N -0.022 114.635 114.554 0.173 0.000 2.962 2439 T HA -0.091 4.259 4.350 0.000 0.000 0.270 2439 T C 1.012 175.766 174.700 0.091 0.000 1.088 2439 T CA 1.510 63.665 62.100 0.092 0.000 1.127 2439 T CB -0.942 67.985 68.868 0.099 0.000 0.883 2439 T HN 0.784 nan 8.240 nan 0.000 0.493 2440 D N 1.701 122.182 120.400 0.135 0.000 2.407 2440 D HA -0.118 4.522 4.640 0.000 0.000 0.234 2440 D C 0.969 177.355 176.300 0.143 0.000 1.029 2440 D CA 0.139 54.227 54.000 0.147 0.000 0.937 2440 D CB -0.636 40.282 40.800 0.197 0.000 0.882 2440 D HN 0.564 nan 8.370 nan 0.000 0.531 2441 R N -2.362 118.211 120.500 0.122 0.000 3.892 2441 R HA -0.138 4.202 4.340 0.000 0.000 0.441 2441 R C -0.371 176.027 176.300 0.164 0.000 1.052 2441 R CA 1.289 57.471 56.100 0.137 0.000 1.190 2441 R CB -3.208 27.180 30.300 0.147 0.000 1.808 2441 R HN 0.539 nan 8.270 nan 0.000 0.538 2442 T N -2.052 112.575 114.554 0.122 0.000 2.916 2442 T HA 0.687 5.037 4.350 0.000 0.000 0.298 2442 T C -0.107 174.587 174.700 -0.010 0.000 1.031 2442 T CA -1.110 60.979 62.100 -0.019 0.000 0.993 2442 T CB 1.930 70.686 68.868 -0.187 0.000 1.045 2442 T HN 0.032 nan 8.240 nan 0.000 0.454 2443 L N 2.025 123.094 121.223 -0.257 0.000 2.466 2443 L HA 0.596 4.936 4.340 0.000 0.000 0.257 2443 L C 0.610 177.336 176.870 -0.239 0.000 1.189 2443 L CA 0.052 54.762 54.840 -0.217 0.000 0.813 2443 L CB 0.497 42.215 42.059 -0.567 0.000 1.118 2443 L HN 0.702 nan 8.230 nan 0.000 0.471 2444 K N 0.392 120.762 120.400 -0.049 0.000 2.615 2444 K HA 0.445 4.765 4.320 0.000 0.000 0.249 2444 K C -1.606 174.849 176.600 -0.242 0.000 0.977 2444 K CA -0.592 55.527 56.287 -0.279 0.000 0.833 2444 K CB 2.041 34.314 32.500 -0.379 0.000 1.208 2444 K HN 0.209 nan 8.250 nan 0.000 0.443 2445 V N 3.043 122.771 119.914 -0.310 0.000 2.583 2445 V HA 0.302 4.422 4.120 0.000 0.000 0.287 2445 V C -0.586 175.333 176.094 -0.291 0.000 1.051 2445 V CA -0.129 62.102 62.300 -0.114 0.000 1.010 2445 V CB 0.071 31.891 31.823 -0.006 0.000 0.988 2445 V HN 0.617 nan 8.190 nan 0.000 0.478 2446 W N 2.142 123.458 121.300 0.027 0.000 2.882 2446 W HA 0.460 5.120 4.660 0.000 0.000 0.345 2446 W C 0.067 176.600 176.519 0.024 0.000 1.125 2446 W CA -0.755 56.600 57.345 0.016 0.000 1.167 2446 W CB 1.007 30.476 29.460 0.015 0.000 1.431 2446 W HN 0.410 nan 8.180 nan 0.000 0.543 2447 N N 1.405 120.263 118.700 0.263 0.000 2.527 2447 N HA 0.246 4.986 4.740 0.000 0.000 0.236 2447 N C 0.684 176.291 175.510 0.162 0.000 0.999 2447 N CA 0.194 53.339 53.050 0.158 0.000 0.935 2447 N CB 1.550 40.094 38.487 0.096 0.000 1.132 2447 N HN 0.637 nan 8.380 nan 0.000 0.511 2448 A N 3.090 125.992 122.820 0.137 0.000 2.032 2448 A HA -0.203 4.117 4.320 0.000 0.000 0.221 2448 A C 1.882 179.499 177.584 0.055 0.000 1.165 2448 A CA 1.557 53.648 52.037 0.089 0.000 0.645 2448 A CB -0.209 18.840 19.000 0.081 0.000 0.807 2448 A HN 0.721 nan 8.150 nan 0.000 0.453 2449 E N -0.226 120.008 120.200 0.058 0.000 2.021 2449 E HA -0.093 4.257 4.350 0.000 0.000 0.189 2449 E C 2.175 178.793 176.600 0.029 0.000 0.980 2449 E CA 2.046 58.468 56.400 0.036 0.000 0.803 2449 E CB -0.444 29.278 29.700 0.036 0.000 0.766 2449 E HN 0.596 nan 8.360 nan 0.000 0.449 2450 T N -2.994 111.586 114.554 0.043 0.000 3.088 2450 T HA 0.183 4.533 4.350 0.000 0.000 0.259 2450 T C 1.568 176.305 174.700 0.061 0.000 1.122 2450 T CA 0.667 62.790 62.100 0.039 0.000 1.095 2450 T CB -0.241 68.648 68.868 0.034 0.000 0.930 2450 T HN 0.360 nan 8.240 nan 0.000 0.508 2451 G N 2.363 111.221 108.800 0.096 0.000 2.200 2451 G HA2 -0.328 3.632 3.960 0.000 0.000 0.267 2451 G HA3 -0.328 3.632 3.960 0.000 0.000 0.267 2451 G C -0.127 174.949 174.900 0.293 0.000 0.993 2451 G CA 0.590 45.782 45.100 0.154 0.000 0.701 2451 G HN 1.045 nan 8.290 nan 0.000 0.524 2452 E N -0.969 119.348 120.200 0.194 0.000 2.313 2452 E HA 0.457 4.807 4.350 0.000 0.000 0.272 2452 E C 0.379 176.980 176.600 0.002 0.000 1.038 2452 E CA -0.648 55.815 56.400 0.106 0.000 0.863 2452 E CB 1.307 31.014 29.700 0.012 0.000 1.060 2452 E HN 0.412 nan 8.360 nan 0.000 0.402 2453 C N 6.145 125.266 119.300 -0.298 0.000 2.322 2453 C HA 0.269 4.729 4.460 0.000 0.000 0.343 2453 C C 1.504 176.213 174.990 -0.468 0.000 1.190 2453 C CA -0.648 57.896 59.018 -0.790 0.000 1.704 2453 C CB -1.928 25.151 27.740 -1.102 0.000 2.293 2453 C HN 0.875 nan 8.230 nan 0.000 0.523 2454 I N 2.600 122.949 120.570 -0.369 0.000 3.251 2454 I HA 0.285 4.455 4.170 0.000 0.000 0.277 2454 I C 0.463 176.215 176.117 -0.608 0.000 1.268 2454 I CA 0.828 61.923 61.300 -0.341 0.000 1.449 2454 I CB -0.355 37.562 38.000 -0.138 0.000 1.083 2454 I HN 0.632 nan 8.210 nan 0.000 0.464 2455 H N 0.561 119.430 119.070 -0.335 0.000 3.064 2455 H HA 0.376 4.932 4.556 0.000 0.000 0.352 2455 H C -1.110 173.946 175.328 -0.452 0.000 1.260 2455 H CA -0.578 55.290 56.048 -0.300 0.000 1.160 2455 H CB 2.311 31.945 29.762 -0.214 0.000 1.879 2455 H HN -0.075 nan 8.280 nan 0.000 0.544 2456 T N 3.468 117.826 114.554 -0.328 0.000 2.963 2456 T HA 0.269 4.619 4.350 0.000 0.000 0.328 2456 T C 0.377 174.590 174.700 -0.812 0.000 1.048 2456 T CA -0.689 61.022 62.100 -0.650 0.000 1.033 2456 T CB 0.245 68.671 68.868 -0.737 0.000 1.010 2456 T HN 0.225 nan 8.240 nan 0.000 0.469 2457 L N 4.383 125.150 121.223 -0.760 0.000 2.433 2457 L HA 0.359 4.699 4.340 0.000 0.000 0.284 2457 L C -0.519 175.872 176.870 -0.799 0.000 1.120 2457 L CA -0.542 53.750 54.840 -0.913 0.000 0.879 2457 L CB -0.662 40.346 42.059 -1.752 0.000 1.232 2457 L HN 0.583 nan 8.230 nan 0.000 0.454 2458 Y N 1.211 121.453 120.300 -0.096 0.000 2.352 2458 Y HA 0.624 5.174 4.550 0.000 0.000 0.326 2458 Y C 1.186 177.267 175.900 0.301 0.000 1.166 2458 Y CA -0.122 58.015 58.100 0.061 0.000 1.182 2458 Y CB 1.812 40.304 38.460 0.053 0.000 1.216 2458 Y HN 0.640 nan 8.280 nan 0.000 0.474 2459 G N -0.239 108.813 108.800 0.419 0.000 3.609 2459 G HA2 -0.135 3.825 3.960 0.000 0.000 0.219 2459 G HA3 -0.135 3.825 3.960 0.000 0.000 0.219 2459 G C -0.541 174.476 174.900 0.196 0.000 0.951 2459 G CA -0.571 44.706 45.100 0.296 0.000 0.867 2459 G HN 0.527 nan 8.290 nan 0.000 0.478 2460 H N 1.940 121.191 119.070 0.301 0.000 2.620 2460 H HA 0.471 5.027 4.556 0.000 0.000 0.313 2460 H C 1.607 177.015 175.328 0.133 0.000 1.075 2460 H CA 0.987 57.149 56.048 0.191 0.000 1.397 2460 H CB 1.785 31.654 29.762 0.180 0.000 1.446 2460 H HN 0.278 nan 8.280 nan 0.000 0.493 2461 T N -0.568 114.129 114.554 0.239 0.000 3.031 2461 T HA 0.022 4.372 4.350 0.000 0.000 0.254 2461 T C 1.302 176.063 174.700 0.102 0.000 1.060 2461 T CA 0.112 62.298 62.100 0.144 0.000 1.135 2461 T CB 0.458 69.387 68.868 0.102 0.000 0.896 2461 T HN 0.331 nan 8.240 nan 0.000 0.472 2462 S N 0.506 116.253 115.700 0.078 0.000 2.647 2462 S HA 0.453 4.923 4.470 0.000 0.000 0.284 2462 S C -0.002 174.583 174.600 -0.025 0.000 1.134 2462 S CA -0.573 57.633 58.200 0.009 0.000 1.027 2462 S CB 0.738 63.921 63.200 -0.029 0.000 1.180 2462 S HN 0.331 nan 8.310 nan 0.000 0.521 2463 T N 1.833 116.341 114.554 -0.076 0.000 2.901 2463 T HA 0.258 4.608 4.350 0.000 0.000 0.301 2463 T C -0.399 174.207 174.700 -0.157 0.000 1.012 2463 T CA -0.241 61.805 62.100 -0.090 0.000 1.135 2463 T CB 0.591 69.372 68.868 -0.145 0.000 0.936 2463 T HN 0.404 nan 8.240 nan 0.000 0.539 2464 V N 5.941 125.790 119.914 -0.109 0.000 2.287 2464 V HA 0.129 4.249 4.120 0.000 0.000 0.246 2464 V C 1.594 177.653 176.094 -0.059 0.000 1.165 2464 V CA -0.217 61.990 62.300 -0.156 0.000 1.088 2464 V CB -0.165 31.638 31.823 -0.033 0.000 1.242 2464 V HN 0.665 nan 8.190 nan 0.000 0.497 2465 R N 3.096 123.530 120.500 -0.111 0.000 2.070 2465 R HA -0.067 4.273 4.340 0.000 0.000 0.233 2465 R C 1.017 177.338 176.300 0.034 0.000 1.137 2465 R CA 1.957 58.027 56.100 -0.049 0.000 0.945 2465 R CB -0.183 30.022 30.300 -0.158 0.000 0.845 2465 R HN 0.847 nan 8.270 nan 0.000 0.430 2466 C N -2.110 117.194 119.300 0.006 0.000 3.028 2466 C HA 0.909 5.369 4.460 0.000 0.000 0.338 2466 C C -0.664 174.389 174.990 0.105 0.000 1.366 2466 C CA -1.223 57.837 59.018 0.070 0.000 1.610 2466 C CB 1.382 29.158 27.740 0.061 0.000 2.063 2466 C HN 0.573 nan 8.230 nan 0.000 0.463 2467 M N 0.095 119.793 119.600 0.163 0.000 2.389 2467 M HA 0.428 4.908 4.480 0.000 0.000 0.287 2467 M C -1.859 174.617 176.300 0.292 0.000 1.063 2467 M CA -0.257 55.171 55.300 0.214 0.000 0.913 2467 M CB 0.781 33.488 32.600 0.179 0.000 1.883 2467 M HN 0.933 nan 8.290 nan 0.000 0.508 2468 H N 2.680 121.874 119.070 0.207 0.000 2.587 2468 H HA 0.764 5.320 4.556 0.000 0.000 0.325 2468 H C -1.976 173.540 175.328 0.314 0.000 1.012 2468 H CA -0.635 55.562 56.048 0.248 0.000 1.213 2468 H CB 1.523 31.452 29.762 0.279 0.000 1.431 2468 H HN 0.813 nan 8.280 nan 0.000 0.492 2469 L N 5.196 126.392 121.223 -0.044 0.000 2.312 2469 L HA 0.369 4.709 4.340 0.000 0.000 0.281 2469 L C -1.151 175.710 176.870 -0.015 0.000 1.070 2469 L CA -0.312 54.560 54.840 0.053 0.000 0.805 2469 L CB 0.585 42.673 42.059 0.048 0.000 1.174 2469 L HN 0.829 nan 8.230 nan 0.000 0.434 2470 H N 3.703 122.812 119.070 0.064 0.000 3.092 2470 H HA 0.428 4.984 4.556 0.000 0.000 0.308 2470 H C -0.038 175.293 175.328 0.004 0.000 1.047 2470 H CA 0.316 56.332 56.048 -0.054 0.000 1.466 2470 H CB 0.495 30.095 29.762 -0.270 0.000 1.597 2470 H HN 0.923 nan 8.280 nan 0.000 0.512 2471 E N 1.415 121.366 120.200 -0.415 0.000 3.045 2471 E HA -0.302 4.048 4.350 0.000 0.000 0.350 2471 E C 0.482 177.025 176.600 -0.095 0.000 1.445 2471 E CA 1.409 57.621 56.400 -0.314 0.000 1.442 2471 E CB -0.669 28.745 29.700 -0.476 0.000 1.762 2471 E HN 0.578 nan 8.360 nan 0.000 0.524 2472 K N 3.111 123.486 120.400 -0.042 0.000 2.444 2472 K HA 0.148 4.468 4.320 0.000 0.000 0.193 2472 K C 0.338 176.994 176.600 0.093 0.000 1.024 2472 K CA 0.835 57.137 56.287 0.025 0.000 1.077 2472 K CB 0.319 32.832 32.500 0.021 0.000 0.833 2472 K HN 0.216 nan 8.250 nan 0.000 0.517 2473 R N 0.143 120.754 120.500 0.184 0.000 2.803 2473 R HA 0.579 4.919 4.340 0.000 0.000 0.276 2473 R C -1.154 175.344 176.300 0.330 0.000 0.978 2473 R CA -0.965 55.307 56.100 0.286 0.000 0.939 2473 R CB 2.471 33.046 30.300 0.458 0.000 1.179 2473 R HN -0.161 nan 8.270 nan 0.000 0.472 2474 V N 2.802 122.874 119.914 0.262 0.000 2.482 2474 V HA 0.226 4.346 4.120 0.000 0.000 0.295 2474 V C -0.383 175.860 176.094 0.249 0.000 1.026 2474 V CA -0.813 61.651 62.300 0.274 0.000 0.856 2474 V CB 2.013 33.985 31.823 0.249 0.000 1.001 2474 V HN 0.467 nan 8.190 nan 0.000 0.424 2475 V N 4.761 124.752 119.914 0.129 0.000 2.498 2475 V HA 0.542 4.662 4.120 0.000 0.000 0.279 2475 V C 0.504 176.738 176.094 0.233 0.000 1.048 2475 V CA -0.105 62.211 62.300 0.026 0.000 0.967 2475 V CB 1.805 33.562 31.823 -0.110 0.000 0.988 2475 V HN 0.998 nan 8.190 nan 0.000 0.473 2476 S N 3.216 119.116 115.700 0.332 0.000 2.503 2476 S HA 0.855 5.325 4.470 0.000 0.000 0.301 2476 S C -0.155 174.627 174.600 0.304 0.000 1.087 2476 S CA -0.418 58.016 58.200 0.390 0.000 1.042 2476 S CB 1.918 65.498 63.200 0.633 0.000 1.043 2476 S HN 1.042 nan 8.310 nan 0.000 0.489 2477 G N 0.212 109.081 108.800 0.115 0.000 2.420 2477 G HA2 0.649 4.609 3.960 0.000 0.000 0.331 2477 G HA3 0.649 4.609 3.960 0.000 0.000 0.331 2477 G C -0.863 173.910 174.900 -0.211 0.000 1.168 2477 G CA -0.707 44.385 45.100 -0.014 0.000 0.936 2477 G HN 0.923 nan 8.290 nan 0.000 0.479 2478 S N -0.275 115.247 115.700 -0.296 0.000 2.651 2478 S HA 0.399 4.869 4.470 0.000 0.000 0.279 2478 S C 0.960 175.404 174.600 -0.260 0.000 1.148 2478 S CA -0.754 57.205 58.200 -0.402 0.000 0.837 2478 S CB 1.508 64.240 63.200 -0.780 0.000 1.138 2478 S HN 0.539 nan 8.310 nan 0.000 0.478 2479 R N 0.419 120.783 120.500 -0.226 0.000 2.316 2479 R HA 0.005 4.345 4.340 0.000 0.000 0.202 2479 R C 0.435 176.676 176.300 -0.098 0.000 1.029 2479 R CA 1.339 57.331 56.100 -0.181 0.000 1.018 2479 R CB -0.402 29.812 30.300 -0.143 0.000 0.888 2479 R HN 0.687 nan 8.270 nan 0.000 0.471 2480 D N -0.228 120.131 120.400 -0.068 0.000 2.352 2480 D HA 0.047 4.687 4.640 0.000 0.000 0.232 2480 D C 0.843 177.161 176.300 0.030 0.000 1.055 2480 D CA 0.638 54.644 54.000 0.010 0.000 0.891 2480 D CB 0.189 41.038 40.800 0.081 0.000 0.897 2480 D HN 0.091 nan 8.370 nan 0.000 0.529 2481 A N -1.016 121.805 122.820 0.001 0.000 3.396 2481 A HA -0.163 4.157 4.320 0.000 0.000 0.267 2481 A C 0.863 178.525 177.584 0.129 0.000 1.139 2481 A CA 1.429 53.503 52.037 0.061 0.000 1.115 2481 A CB -2.688 16.364 19.000 0.086 0.000 1.133 2481 A HN 0.843 nan 8.150 nan 0.000 0.920 2482 T N -1.927 112.683 114.554 0.093 0.000 2.876 2482 T HA 0.763 5.113 4.350 0.000 0.000 0.289 2482 T C -0.469 174.308 174.700 0.127 0.000 1.014 2482 T CA -0.662 61.475 62.100 0.062 0.000 0.986 2482 T CB 1.737 70.623 68.868 0.029 0.000 1.021 2482 T HN 0.780 nan 8.240 nan 0.000 0.458 2483 L N 1.813 122.996 121.223 -0.066 0.000 2.352 2483 L HA 0.717 5.057 4.340 0.000 0.000 0.269 2483 L C 0.657 177.428 176.870 -0.164 0.000 1.034 2483 L CA -0.794 54.033 54.840 -0.021 0.000 0.806 2483 L CB 1.201 43.134 42.059 -0.211 0.000 1.244 2483 L HN 0.641 nan 8.230 nan 0.000 0.447 2484 R N 0.385 120.820 120.500 -0.109 0.000 2.538 2484 R HA 0.625 4.965 4.340 0.000 0.000 0.292 2484 R C -1.600 174.333 176.300 -0.611 0.000 1.008 2484 R CA -0.812 54.968 56.100 -0.532 0.000 0.896 2484 R CB 2.251 32.027 30.300 -0.873 0.000 1.187 2484 R HN 0.317 nan 8.270 nan 0.000 0.440 2485 V N 3.329 122.849 119.914 -0.657 0.000 2.385 2485 V HA 0.318 4.438 4.120 0.000 0.000 0.269 2485 V C -0.667 175.077 176.094 -0.583 0.000 1.043 2485 V CA -0.526 61.499 62.300 -0.459 0.000 0.906 2485 V CB 0.263 31.927 31.823 -0.264 0.000 0.995 2485 V HN 0.608 nan 8.190 nan 0.000 0.467 2486 W N 1.846 123.087 121.300 -0.098 0.000 2.627 2486 W HA 0.467 5.127 4.660 0.000 0.000 0.339 2486 W C 0.137 176.614 176.519 -0.070 0.000 1.058 2486 W CA -0.821 56.467 57.345 -0.094 0.000 1.223 2486 W CB 0.830 30.237 29.460 -0.089 0.000 1.389 2486 W HN 0.399 nan 8.180 nan 0.000 0.541 2487 D N 2.970 123.441 120.400 0.119 0.000 2.456 2487 D HA 0.062 4.702 4.640 0.000 0.000 0.219 2487 D C 1.293 177.567 176.300 -0.044 0.000 1.126 2487 D CA -0.058 53.963 54.000 0.035 0.000 0.890 2487 D CB 0.720 41.512 40.800 -0.013 0.000 1.025 2487 D HN 0.220 nan 8.370 nan 0.000 0.511 2488 I N 3.017 123.583 120.570 -0.006 0.000 2.367 2488 I HA -0.290 3.880 4.170 0.000 0.000 0.256 2488 I C 1.780 177.789 176.117 -0.179 0.000 1.132 2488 I CA 1.388 62.643 61.300 -0.074 0.000 1.397 2488 I CB -0.466 37.541 38.000 0.013 0.000 1.074 2488 I HN 0.528 nan 8.210 nan 0.000 0.435 2489 E N -0.250 119.878 120.200 -0.121 0.000 2.045 2489 E HA -0.117 4.233 4.350 0.000 0.000 0.190 2489 E C 2.091 178.621 176.600 -0.116 0.000 0.968 2489 E CA 1.550 57.911 56.400 -0.065 0.000 0.813 2489 E CB -0.307 29.392 29.700 -0.001 0.000 0.780 2489 E HN 0.542 nan 8.360 nan 0.000 0.455 2490 T N -2.055 112.429 114.554 -0.117 0.000 2.904 2490 T HA 0.041 4.391 4.350 0.000 0.000 0.267 2490 T C 1.745 176.375 174.700 -0.116 0.000 1.059 2490 T CA 1.183 63.262 62.100 -0.034 0.000 1.137 2490 T CB -0.023 68.840 68.868 -0.008 0.000 0.879 2490 T HN 0.396 nan 8.240 nan 0.000 0.467 2491 G N 0.552 109.065 108.800 -0.477 0.000 2.199 2491 G HA2 -0.224 3.736 3.960 0.000 0.000 0.254 2491 G HA3 -0.224 3.736 3.960 0.000 0.000 0.254 2491 G C 0.049 174.993 174.900 0.073 0.000 0.982 2491 G CA 0.140 45.012 45.100 -0.381 0.000 0.632 2491 G HN 0.699 nan 8.290 nan 0.000 0.529 2492 Q N -0.291 119.540 119.800 0.053 0.000 2.443 2492 Q HA 0.478 4.818 4.340 0.000 0.000 0.232 2492 Q C 0.685 176.728 176.000 0.073 0.000 1.026 2492 Q CA -0.437 55.407 55.803 0.069 0.000 0.924 2492 Q CB 1.024 29.752 28.738 -0.017 0.000 1.256 2492 Q HN 0.665 nan 8.270 nan 0.000 0.519 2493 C N 3.343 122.575 119.300 -0.113 0.000 2.170 2493 C HA 0.341 4.801 4.460 0.000 0.000 0.339 2493 C C 1.330 176.002 174.990 -0.529 0.000 1.056 2493 C CA -0.607 58.055 59.018 -0.592 0.000 1.535 2493 C CB -1.826 25.315 27.740 -0.998 0.000 1.785 2493 C HN 0.762 nan 8.230 nan 0.000 0.440 2494 L N 3.331 124.265 121.223 -0.482 0.000 2.081 2494 L HA 0.017 4.357 4.340 0.000 0.000 0.212 2494 L C 0.970 177.220 176.870 -1.033 0.000 1.080 2494 L CA 1.797 56.238 54.840 -0.666 0.000 0.754 2494 L CB -0.773 40.947 42.059 -0.565 0.000 0.893 2494 L HN 0.735 nan 8.230 nan 0.000 0.433 2495 H N -4.028 114.807 119.070 -0.391 0.000 3.008 2495 H HA 0.675 5.231 4.556 0.000 0.000 0.354 2495 H C -1.265 173.777 175.328 -0.477 0.000 1.252 2495 H CA -1.004 54.828 56.048 -0.360 0.000 1.117 2495 H CB 1.717 31.306 29.762 -0.288 0.000 1.857 2495 H HN -0.393 nan 8.280 nan 0.000 0.547 2496 V N 2.623 122.383 119.914 -0.257 0.000 2.462 2496 V HA 0.155 4.275 4.120 0.000 0.000 0.288 2496 V C -1.132 174.740 176.094 -0.369 0.000 1.020 2496 V CA -0.735 61.360 62.300 -0.341 0.000 0.857 2496 V CB 1.473 33.129 31.823 -0.278 0.000 1.013 2496 V HN 0.434 nan 8.190 nan 0.000 0.431 2497 L N 5.992 126.852 121.223 -0.604 0.000 2.295 2497 L HA 0.520 4.860 4.340 0.000 0.000 0.288 2497 L C -0.038 176.347 176.870 -0.808 0.000 1.079 2497 L CA 0.463 54.611 54.840 -1.153 0.000 0.830 2497 L CB 0.312 41.019 42.059 -2.253 0.000 1.200 2497 L HN 0.589 nan 8.230 nan 0.000 0.438 2498 M N 2.645 122.046 119.600 -0.331 0.000 2.181 2498 M HA 0.587 5.067 4.480 0.000 0.000 0.323 2498 M C 0.696 177.198 176.300 0.338 0.000 1.004 2498 M CA -0.199 55.109 55.300 0.013 0.000 0.941 2498 M CB 2.176 34.780 32.600 0.007 0.000 1.579 2498 M HN 0.718 nan 8.290 nan 0.000 0.427 2499 G N 0.175 109.192 108.800 0.360 0.000 4.378 2499 G HA2 -0.018 3.942 3.960 0.000 0.000 0.214 2499 G HA3 -0.018 3.942 3.960 0.000 0.000 0.214 2499 G C -0.321 174.631 174.900 0.085 0.000 0.740 2499 G CA -0.507 44.723 45.100 0.218 0.000 0.826 2499 G HN 0.615 nan 8.290 nan 0.000 0.549 2500 H N 1.440 120.647 119.070 0.229 0.000 2.620 2500 H HA 0.410 4.966 4.556 0.000 0.000 0.313 2500 H C 1.503 176.868 175.328 0.061 0.000 1.075 2500 H CA 0.100 56.224 56.048 0.127 0.000 1.397 2500 H CB 2.141 31.985 29.762 0.136 0.000 1.446 2500 H HN -0.044 nan 8.280 nan 0.000 0.493 2501 V N 3.115 123.131 119.914 0.171 0.000 2.407 2501 V HA -0.064 4.056 4.120 0.000 0.000 0.245 2501 V C 1.641 177.775 176.094 0.067 0.000 1.041 2501 V CA 1.619 63.967 62.300 0.080 0.000 1.040 2501 V CB -0.429 31.409 31.823 0.024 0.000 0.671 2501 V HN 0.760 nan 8.190 nan 0.000 0.455 2502 A N -0.112 122.751 122.820 0.071 0.000 2.621 2502 A HA 0.802 5.122 4.320 0.000 0.000 0.267 2502 A C 0.441 178.008 177.584 -0.028 0.000 1.506 2502 A CA 0.164 52.230 52.037 0.049 0.000 0.873 2502 A CB 0.001 19.067 19.000 0.111 0.000 1.577 2502 A HN 0.482 nan 8.150 nan 0.000 0.536 2503 A N -0.937 121.821 122.820 -0.103 0.000 2.340 2503 A HA 0.536 4.856 4.320 0.000 0.000 0.268 2503 A C -0.321 176.963 177.584 -0.501 0.000 1.100 2503 A CA -0.320 51.543 52.037 -0.290 0.000 0.803 2503 A CB 0.083 18.862 19.000 -0.368 0.000 1.043 2503 A HN 0.945 nan 8.150 nan 0.000 0.488 2504 V N 3.321 122.973 119.914 -0.436 0.000 2.389 2504 V HA 0.194 4.314 4.120 0.000 0.000 0.264 2504 V C 1.345 177.167 176.094 -0.453 0.000 1.049 2504 V CA -0.089 61.935 62.300 -0.459 0.000 0.932 2504 V CB 0.560 32.228 31.823 -0.258 0.000 1.011 2504 V HN 1.050 nan 8.190 nan 0.000 0.475 2505 R N 3.991 124.179 120.500 -0.519 0.000 2.128 2505 R HA 0.121 4.461 4.340 0.000 0.000 0.211 2505 R C 0.623 176.831 176.300 -0.155 0.000 1.067 2505 R CA 1.070 56.908 56.100 -0.437 0.000 1.010 2505 R CB -0.074 29.887 30.300 -0.565 0.000 0.922 2505 R HN 0.835 nan 8.270 nan 0.000 0.457 2506 C N -1.635 117.605 119.300 -0.099 0.000 2.802 2506 C HA 0.863 5.323 4.460 0.000 0.000 0.307 2506 C C -0.465 174.542 174.990 0.028 0.000 1.222 2506 C CA -1.522 57.500 59.018 0.008 0.000 1.580 2506 C CB 1.459 29.235 27.740 0.060 0.000 2.119 2506 C HN 0.062 nan 8.230 nan 0.000 0.479 2507 V N 2.293 122.248 119.914 0.068 0.000 2.888 2507 V HA 0.666 4.786 4.120 0.000 0.000 0.309 2507 V C -1.813 174.331 176.094 0.083 0.000 1.114 2507 V CA 0.093 62.455 62.300 0.103 0.000 0.940 2507 V CB 2.123 34.028 31.823 0.137 0.000 1.021 2507 V HN 1.009 nan 8.190 nan 0.000 0.426 2508 Q N 4.408 124.264 119.800 0.094 0.000 2.323 2508 Q HA 0.451 4.791 4.340 0.000 0.000 0.271 2508 Q C -2.009 174.235 176.000 0.406 0.000 1.048 2508 Q CA -0.404 55.420 55.803 0.034 0.000 0.792 2508 Q CB 2.548 31.342 28.738 0.094 0.000 1.280 2508 Q HN 0.810 nan 8.270 nan 0.000 0.441 2509 Y N 3.312 123.956 120.300 0.573 0.000 2.329 2509 Y HA 0.226 4.776 4.550 0.000 0.000 0.328 2509 Y C -0.085 176.043 175.900 0.380 0.000 0.992 2509 Y CA -1.428 56.939 58.100 0.446 0.000 1.151 2509 Y CB 1.015 39.685 38.460 0.350 0.000 1.150 2509 Y HN 0.594 nan 8.280 nan 0.000 0.450 2510 D N 2.430 122.836 120.400 0.011 0.000 2.349 2510 D HA 0.224 4.864 4.640 0.000 0.000 0.214 2510 D C 1.529 177.127 176.300 -1.171 0.000 1.063 2510 D CA 0.647 54.363 54.000 -0.473 0.000 0.847 2510 D CB 0.279 40.927 40.800 -0.253 0.000 0.933 2510 D HN 0.939 nan 8.370 nan 0.000 0.513 2511 G N 1.232 109.182 108.800 -1.416 0.000 2.258 2511 G HA2 -0.398 3.562 3.960 0.000 0.000 0.233 2511 G HA3 -0.398 3.562 3.960 0.000 0.000 0.233 2511 G C 1.221 175.992 174.900 -0.215 0.000 1.006 2511 G CA 0.419 44.901 45.100 -1.031 0.000 0.620 2511 G HN 0.542 nan 8.290 nan 0.000 0.511 2512 R N 0.436 120.872 120.500 -0.106 0.000 2.072 2512 R HA 0.330 4.670 4.340 0.000 0.000 0.214 2512 R C 1.230 177.649 176.300 0.199 0.000 1.168 2512 R CA 0.643 56.789 56.100 0.077 0.000 1.020 2512 R CB 0.161 30.495 30.300 0.058 0.000 0.914 2512 R HN 0.410 nan 8.270 nan 0.000 0.449 2513 R N -0.065 120.604 120.500 0.282 0.000 2.919 2513 R HA 0.483 4.823 4.340 0.000 0.000 0.260 2513 R C -1.277 175.242 176.300 0.364 0.000 1.067 2513 R CA -0.957 55.305 56.100 0.270 0.000 1.003 2513 R CB 2.443 32.842 30.300 0.166 0.000 1.192 2513 R HN -0.048 nan 8.270 nan 0.000 0.488 2514 V N 2.220 122.277 119.914 0.239 0.000 2.357 2514 V HA 0.201 4.321 4.120 0.000 0.000 0.281 2514 V C -0.327 175.866 176.094 0.166 0.000 1.015 2514 V CA -0.726 61.722 62.300 0.247 0.000 0.827 2514 V CB 1.681 33.585 31.823 0.136 0.000 1.018 2514 V HN 0.435 nan 8.190 nan 0.000 0.432 2515 V N 4.797 124.663 119.914 -0.081 0.000 2.546 2515 V HA 0.651 4.771 4.120 0.000 0.000 0.284 2515 V C 0.445 176.575 176.094 0.060 0.000 1.050 2515 V CA -0.073 62.115 62.300 -0.186 0.000 0.981 2515 V CB 1.671 33.185 31.823 -0.515 0.000 0.990 2515 V HN 0.979 nan 8.190 nan 0.000 0.474 2516 S N 2.599 118.386 115.700 0.146 0.000 2.570 2516 S HA 0.900 5.370 4.470 0.000 0.000 0.286 2516 S C -0.351 174.356 174.600 0.180 0.000 1.099 2516 S CA -0.435 57.923 58.200 0.264 0.000 0.913 2516 S CB 2.182 65.768 63.200 0.644 0.000 1.085 2516 S HN 1.154 nan 8.310 nan 0.000 0.480 2517 G N -0.114 108.720 108.800 0.056 0.000 2.683 2517 G HA2 0.732 4.692 3.960 0.000 0.000 0.299 2517 G HA3 0.732 4.692 3.960 0.000 0.000 0.299 2517 G C -0.756 174.004 174.900 -0.234 0.000 1.432 2517 G CA -0.567 44.522 45.100 -0.019 0.000 0.978 2517 G HN 1.126 nan 8.290 nan 0.000 0.513 2518 A N 1.726 124.350 122.820 -0.327 0.000 2.384 2518 A HA 0.663 4.983 4.320 0.000 0.000 0.312 2518 A C 0.170 177.711 177.584 -0.071 0.000 1.113 2518 A CA -0.730 51.035 52.037 -0.453 0.000 0.779 2518 A CB 0.880 19.367 19.000 -0.855 0.000 1.307 2518 A HN 0.638 nan 8.150 nan 0.000 0.436 2519 Y N 0.731 120.941 120.300 -0.151 0.000 2.736 2519 Y HA -0.111 4.439 4.550 0.000 0.000 0.298 2519 Y C 1.224 177.252 175.900 0.212 0.000 1.156 2519 Y CA 1.316 59.399 58.100 -0.028 0.000 1.384 2519 Y CB -0.753 37.662 38.460 -0.076 0.000 0.976 2519 Y HN 0.761 nan 8.280 nan 0.000 0.556 2520 D N -2.358 118.205 120.400 0.271 0.000 2.352 2520 D HA -0.070 4.570 4.640 0.000 0.000 0.236 2520 D C 0.882 177.384 176.300 0.336 0.000 1.148 2520 D CA -0.164 53.944 54.000 0.180 0.000 0.844 2520 D CB -1.387 39.479 40.800 0.110 0.000 0.933 2520 D HN 0.376 nan 8.370 nan 0.000 0.507 2521 F N -2.054 117.966 119.950 0.116 0.000 2.790 2521 F HA -0.333 4.194 4.527 0.000 0.000 0.426 2521 F C 0.635 176.512 175.800 0.128 0.000 0.586 2521 F CA 0.278 58.369 58.000 0.152 0.000 0.989 2521 F CB -1.068 38.014 39.000 0.136 0.000 1.598 2521 F HN 0.167 nan 8.300 nan 0.000 0.282 2522 M N 0.870 120.636 119.600 0.277 0.000 2.409 2522 M HA 0.534 5.014 4.480 0.000 0.000 0.329 2522 M C 0.020 176.368 176.300 0.079 0.000 1.180 2522 M CA -0.461 54.910 55.300 0.118 0.000 1.053 2522 M CB 1.487 34.135 32.600 0.080 0.000 1.586 2522 M HN -0.197 nan 8.290 nan 0.000 0.461 2523 V N 3.058 122.881 119.914 -0.152 0.000 2.376 2523 V HA 0.342 4.462 4.120 0.000 0.000 0.287 2523 V C -0.125 175.769 176.094 -0.334 0.000 1.015 2523 V CA -0.857 61.310 62.300 -0.222 0.000 0.834 2523 V CB 1.571 33.076 31.823 -0.531 0.000 1.001 2523 V HN 0.692 nan 8.190 nan 0.000 0.428 2524 K N 3.944 124.221 120.400 -0.204 0.000 2.213 2524 K HA 0.630 4.950 4.320 0.000 0.000 0.270 2524 K C -0.943 175.318 176.600 -0.565 0.000 1.002 2524 K CA -0.649 55.290 56.287 -0.580 0.000 0.868 2524 K CB 2.359 34.259 32.500 -1.000 0.000 1.093 2524 K HN 0.415 nan 8.250 nan 0.000 0.454 2525 V N 3.760 123.312 119.914 -0.602 0.000 2.364 2525 V HA 0.284 4.404 4.120 0.000 0.000 0.272 2525 V C -0.839 175.003 176.094 -0.420 0.000 1.036 2525 V CA -0.742 61.328 62.300 -0.384 0.000 0.880 2525 V CB -0.070 31.610 31.823 -0.239 0.000 0.991 2525 V HN 0.644 nan 8.190 nan 0.000 0.460 2526 W N 2.076 123.290 121.300 -0.143 0.000 2.639 2526 W HA 0.545 5.205 4.660 0.000 0.000 0.347 2526 W C -0.193 176.272 176.519 -0.089 0.000 1.067 2526 W CA -0.977 56.294 57.345 -0.124 0.000 1.218 2526 W CB 1.000 30.381 29.460 -0.132 0.000 1.393 2526 W HN 0.523 nan 8.180 nan 0.000 0.557 2527 D N 3.114 123.609 120.400 0.158 0.000 2.485 2527 D HA 0.231 4.871 4.640 0.000 0.000 0.221 2527 D C -1.062 175.223 176.300 -0.024 0.000 1.112 2527 D CA -2.172 51.864 54.000 0.060 0.000 0.911 2527 D CB 1.372 42.180 40.800 0.014 0.000 1.019 2527 D HN -0.105 nan 8.370 nan 0.000 0.516 2528 P HA -0.290 nan 4.420 nan 0.000 0.218 2528 P C 1.078 177.840 177.300 -0.898 0.000 1.165 2528 P CA 1.264 64.116 63.100 -0.413 0.000 0.922 2528 P CB 0.366 31.852 31.700 -0.356 0.000 0.794 2529 E N -0.238 119.544 120.200 -0.697 0.000 2.132 2529 E HA -0.207 4.143 4.350 0.000 0.000 0.218 2529 E C 1.852 178.323 176.600 -0.215 0.000 1.058 2529 E CA 2.385 58.501 56.400 -0.474 0.000 0.882 2529 E CB -1.633 28.010 29.700 -0.096 0.000 0.774 2529 E HN 0.479 nan 8.360 nan 0.000 0.467 2530 T N -1.851 112.632 114.554 -0.119 0.000 3.244 2530 T HA 0.190 4.540 4.350 0.000 0.000 0.254 2530 T C 0.083 174.781 174.700 -0.002 0.000 1.024 2530 T CA 0.145 62.232 62.100 -0.020 0.000 0.920 2530 T CB -0.323 68.539 68.868 -0.010 0.000 1.042 2530 T HN 0.181 nan 8.240 nan 0.000 0.572 2531 E N 0.431 120.606 120.200 -0.042 0.000 2.405 2531 E HA -0.197 4.153 4.350 0.000 0.000 0.240 2531 E C -0.145 176.533 176.600 0.130 0.000 1.269 2531 E CA 0.764 57.166 56.400 0.002 0.000 0.716 2531 E CB -1.793 27.909 29.700 0.004 0.000 1.228 2531 E HN 0.588 nan 8.360 nan 0.000 0.393 2532 T N -0.207 114.430 114.554 0.138 0.000 2.758 2532 T HA 0.255 4.605 4.350 0.000 0.000 0.285 2532 T C -0.049 174.715 174.700 0.107 0.000 0.981 2532 T CA -0.618 61.553 62.100 0.119 0.000 0.965 2532 T CB 0.942 69.812 68.868 0.002 0.000 0.927 2532 T HN 0.360 nan 8.240 nan 0.000 0.448 2533 C N 8.373 127.619 119.300 -0.091 0.000 2.734 2533 C HA 0.252 4.712 4.460 0.000 0.000 0.398 2533 C C 2.083 176.774 174.990 -0.499 0.000 1.090 2533 C CA -0.536 58.048 59.018 -0.723 0.000 1.251 2533 C CB -2.653 24.396 27.740 -1.151 0.000 1.789 2533 C HN 1.044 nan 8.230 nan 0.000 0.556 2534 L N 3.499 124.503 121.223 -0.365 0.000 2.051 2534 L HA -0.091 4.249 4.340 0.000 0.000 0.214 2534 L C 1.332 177.792 176.870 -0.684 0.000 1.076 2534 L CA 1.438 56.036 54.840 -0.403 0.000 0.758 2534 L CB -0.453 41.473 42.059 -0.222 0.000 0.890 2534 L HN 0.701 nan 8.230 nan 0.000 0.433 2535 H N -1.895 116.940 119.070 -0.391 0.000 2.895 2535 H HA 0.343 4.899 4.556 0.000 0.000 0.373 2535 H C -0.910 174.115 175.328 -0.505 0.000 1.174 2535 H CA -0.514 55.305 56.048 -0.381 0.000 1.144 2535 H CB 2.075 31.645 29.762 -0.321 0.000 1.793 2535 H HN -0.228 nan 8.280 nan 0.000 0.551 2536 T N 3.536 117.923 114.554 -0.278 0.000 2.934 2536 T HA 0.286 4.636 4.350 0.000 0.000 0.328 2536 T C 0.423 174.922 174.700 -0.335 0.000 1.068 2536 T CA -0.649 61.243 62.100 -0.346 0.000 1.018 2536 T CB 0.092 68.794 68.868 -0.277 0.000 1.009 2536 T HN 0.211 nan 8.240 nan 0.000 0.471 2537 L N 3.960 124.843 121.223 -0.566 0.000 2.342 2537 L HA 0.316 4.656 4.340 0.000 0.000 0.285 2537 L C 0.672 177.180 176.870 -0.604 0.000 1.095 2537 L CA -0.298 53.954 54.840 -0.980 0.000 0.843 2537 L CB 0.154 40.931 42.059 -2.136 0.000 1.201 2537 L HN 0.445 nan 8.230 nan 0.000 0.445 2538 Q N 2.424 122.138 119.800 -0.144 0.000 2.257 2538 Q HA 0.505 4.845 4.340 0.000 0.000 0.255 2538 Q C 0.686 176.920 176.000 0.391 0.000 0.920 2538 Q CA 0.032 55.897 55.803 0.103 0.000 0.927 2538 Q CB 2.131 30.917 28.738 0.081 0.000 1.229 2538 Q HN 0.901 nan 8.270 nan 0.000 0.433 2539 G N 1.784 110.811 108.800 0.378 0.000 4.142 2539 G HA2 -0.077 3.883 3.960 0.000 0.000 0.200 2539 G HA3 -0.077 3.883 3.960 0.000 0.000 0.200 2539 G C -0.343 174.799 174.900 0.403 0.000 0.811 2539 G CA -0.461 44.859 45.100 0.367 0.000 0.855 2539 G HN 0.669 nan 8.290 nan 0.000 0.455 2540 H N 2.233 121.467 119.070 0.274 0.000 2.705 2540 H HA 0.316 4.872 4.556 0.000 0.000 0.291 2540 H C 1.569 176.962 175.328 0.108 0.000 1.085 2540 H CA 0.286 56.429 56.048 0.159 0.000 1.357 2540 H CB 1.504 31.361 29.762 0.158 0.000 1.419 2540 H HN 0.169 nan 8.280 nan 0.000 0.462 2541 T N 0.991 115.621 114.554 0.126 0.000 3.320 2541 T HA -0.084 4.266 4.350 0.000 0.000 0.262 2541 T C 0.622 175.090 174.700 -0.388 0.000 1.187 2541 T CA 0.330 62.466 62.100 0.060 0.000 1.038 2541 T CB -0.216 68.673 68.868 0.035 0.000 0.939 2541 T HN 0.489 nan 8.240 nan 0.000 0.550 2542 N N -0.091 118.091 118.700 -0.864 0.000 3.339 2542 N HA 0.213 4.953 4.740 0.000 0.000 0.275 2542 N C -1.458 173.409 175.510 -1.071 0.000 1.514 2542 N CA -0.842 51.171 53.050 -1.727 0.000 0.879 2542 N CB 1.326 39.398 38.487 -0.691 0.000 1.557 2542 N HN 0.179 nan 8.380 nan 0.000 0.524 2543 R N 0.644 120.789 120.500 -0.593 0.000 2.504 2543 R HA 0.067 4.407 4.340 0.000 0.000 0.291 2543 R C 0.072 176.458 176.300 0.144 0.000 0.974 2543 R CA 0.016 56.132 56.100 0.026 0.000 1.077 2543 R CB 0.061 30.351 30.300 -0.016 0.000 0.926 2543 R HN 0.248 nan 8.270 nan 0.000 0.407 2544 V N 5.361 125.408 119.914 0.222 0.000 2.389 2544 V HA 0.056 4.176 4.120 0.000 0.000 0.264 2544 V C -0.064 176.143 176.094 0.188 0.000 1.049 2544 V CA 0.064 62.537 62.300 0.288 0.000 0.932 2544 V CB 0.380 32.406 31.823 0.338 0.000 1.011 2544 V HN 0.733 nan 8.190 nan 0.000 0.475 2545 Y N 3.858 124.257 120.300 0.166 0.000 2.343 2545 Y HA 0.192 4.742 4.550 0.000 0.000 0.294 2545 Y C 1.671 177.639 175.900 0.113 0.000 1.122 2545 Y CA 0.927 59.123 58.100 0.160 0.000 1.173 2545 Y CB 0.424 38.965 38.460 0.135 0.000 1.077 2545 Y HN 0.767 nan 8.280 nan 0.000 0.542 2546 S N 0.171 116.032 115.700 0.268 0.000 2.537 2546 S HA 0.691 5.161 4.470 0.000 0.000 0.301 2546 S C -1.055 173.648 174.600 0.171 0.000 1.092 2546 S CA -0.767 57.547 58.200 0.190 0.000 1.048 2546 S CB 2.076 65.372 63.200 0.159 0.000 1.053 2546 S HN 0.147 nan 8.310 nan 0.000 0.501 2547 L N 1.319 122.626 121.223 0.140 0.000 2.409 2547 L HA 0.616 4.956 4.340 0.000 0.000 0.262 2547 L C -1.285 175.664 176.870 0.132 0.000 0.992 2547 L CA -0.548 54.374 54.840 0.136 0.000 0.817 2547 L CB 2.234 44.352 42.059 0.098 0.000 1.350 2547 L HN 0.683 nan 8.230 nan 0.000 0.411 2548 Q N 2.485 122.388 119.800 0.171 0.000 2.379 2548 Q HA 0.519 4.859 4.340 0.000 0.000 0.278 2548 Q C -1.761 174.422 176.000 0.304 0.000 1.068 2548 Q CA -0.468 55.448 55.803 0.189 0.000 0.816 2548 Q CB 3.431 32.278 28.738 0.181 0.000 1.387 2548 Q HN 0.439 nan 8.270 nan 0.000 0.413 2549 F N 2.609 122.599 119.950 0.067 0.000 2.722 2549 F HA 0.253 4.780 4.527 0.000 0.000 0.336 2549 F C -0.980 174.870 175.800 0.083 0.000 1.216 2549 F CA -1.372 56.678 58.000 0.082 0.000 1.065 2549 F CB 1.063 40.095 39.000 0.054 0.000 1.325 2549 F HN 0.495 nan 8.300 nan 0.000 0.524 2550 D N 2.746 123.022 120.400 -0.207 0.000 2.561 2550 D HA 0.355 4.995 4.640 0.000 0.000 0.232 2550 D C 1.542 177.495 176.300 -0.578 0.000 1.198 2550 D CA 0.317 54.142 54.000 -0.291 0.000 0.826 2550 D CB 0.219 41.011 40.800 -0.013 0.000 0.992 2550 D HN 1.014 nan 8.370 nan 0.000 0.490 2551 G N 0.231 108.118 108.800 -1.522 0.000 2.302 2551 G HA2 -0.376 3.584 3.960 0.000 0.000 0.263 2551 G HA3 -0.376 3.584 3.960 0.000 0.000 0.263 2551 G C 0.896 175.608 174.900 -0.314 0.000 0.995 2551 G CA 0.749 45.196 45.100 -1.088 0.000 0.622 2551 G HN 0.483 nan 8.290 nan 0.000 0.538 2552 I N -1.122 119.323 120.570 -0.207 0.000 3.673 2552 I HA 0.267 4.437 4.170 0.000 0.000 0.281 2552 I C 0.751 176.746 176.117 -0.202 0.000 1.182 2552 I CA 0.006 61.200 61.300 -0.176 0.000 1.391 2552 I CB 0.374 38.197 38.000 -0.295 0.000 1.383 2552 I HN 0.149 nan 8.210 nan 0.000 0.456 2553 H N 0.574 119.751 119.070 0.178 0.000 2.489 2553 H HA 0.486 5.042 4.556 0.000 0.000 0.343 2553 H C -0.741 174.823 175.328 0.393 0.000 1.086 2553 H CA -0.565 55.624 56.048 0.236 0.000 1.198 2553 H CB 2.510 32.365 29.762 0.155 0.000 1.490 2553 H HN -0.139 nan 8.280 nan 0.000 0.504 2554 V N 3.653 123.868 119.914 0.503 0.000 2.427 2554 V HA 0.553 4.673 4.120 0.000 0.000 0.286 2554 V C -0.922 175.450 176.094 0.463 0.000 1.034 2554 V CA -0.507 62.058 62.300 0.441 0.000 0.893 2554 V CB 1.196 33.099 31.823 0.132 0.000 0.982 2554 V HN 0.558 nan 8.190 nan 0.000 0.452 2555 V N 7.147 127.274 119.914 0.354 0.000 2.350 2555 V HA 0.505 4.625 4.120 0.000 0.000 0.285 2555 V C 0.268 176.531 176.094 0.282 0.000 1.014 2555 V CA 0.022 62.484 62.300 0.269 0.000 0.831 2555 V CB 1.648 33.564 31.823 0.154 0.000 1.000 2555 V HN 1.139 nan 8.190 nan 0.000 0.433 2556 S N 3.453 119.388 115.700 0.392 0.000 2.541 2556 S HA 0.819 5.289 4.470 0.000 0.000 0.283 2556 S C 0.096 174.968 174.600 0.455 0.000 1.196 2556 S CA -0.414 58.031 58.200 0.410 0.000 1.062 2556 S CB 1.866 65.333 63.200 0.444 0.000 1.009 2556 S HN 0.967 nan 8.310 nan 0.000 0.502 2557 G N 0.721 109.726 108.800 0.343 0.000 2.644 2557 G HA2 0.530 4.490 3.960 0.000 0.000 0.300 2557 G HA3 0.530 4.490 3.960 0.000 0.000 0.300 2557 G C -0.648 174.355 174.900 0.171 0.000 1.395 2557 G CA -0.586 44.627 45.100 0.187 0.000 0.964 2557 G HN 0.806 nan 8.290 nan 0.000 0.511 2558 S N 1.831 117.492 115.700 -0.065 0.000 2.718 2558 S HA 0.387 4.857 4.470 0.000 0.000 0.300 2558 S C 1.283 175.846 174.600 -0.062 0.000 1.117 2558 S CA -0.834 57.330 58.200 -0.060 0.000 1.002 2558 S CB 1.514 64.483 63.200 -0.385 0.000 1.092 2558 S HN 0.549 nan 8.310 nan 0.000 0.542 2559 L N 1.645 122.881 121.223 0.021 0.000 2.465 2559 L HA 0.041 4.381 4.340 0.000 0.000 0.224 2559 L C 1.520 178.312 176.870 -0.130 0.000 1.145 2559 L CA 1.246 56.055 54.840 -0.051 0.000 0.834 2559 L CB -0.302 41.771 42.059 0.024 0.000 0.944 2559 L HN 0.858 nan 8.230 nan 0.000 0.451 2560 D N -1.424 118.860 120.400 -0.194 0.000 2.358 2560 D HA -0.158 4.482 4.640 0.000 0.000 0.241 2560 D C 1.002 177.207 176.300 -0.158 0.000 1.094 2560 D CA 0.941 54.819 54.000 -0.205 0.000 0.907 2560 D CB 0.114 40.760 40.800 -0.257 0.000 0.893 2560 D HN 0.277 nan 8.370 nan 0.000 0.528 2561 T N -1.510 112.967 114.554 -0.128 0.000 11.087 2561 T HA -0.248 4.102 4.350 0.000 0.000 0.385 2561 T C 0.504 175.173 174.700 -0.051 0.000 1.679 2561 T CA 1.709 63.773 62.100 -0.059 0.000 2.690 2561 T CB -1.674 67.177 68.868 -0.027 0.000 2.619 2561 T HN 0.699 nan 8.240 nan 0.000 0.900 2562 S N 0.363 115.967 115.700 -0.160 0.000 2.669 2562 S HA 0.750 5.220 4.470 0.000 0.000 0.270 2562 S C -0.300 174.158 174.600 -0.236 0.000 1.225 2562 S CA -0.815 57.279 58.200 -0.176 0.000 0.991 2562 S CB 1.363 64.461 63.200 -0.170 0.000 0.987 2562 S HN 0.466 nan 8.310 nan 0.000 0.552 2563 I N 1.025 121.480 120.570 -0.190 0.000 2.468 2563 I HA 0.382 4.552 4.170 0.000 0.000 0.284 2563 I C -0.027 176.027 176.117 -0.104 0.000 1.038 2563 I CA -0.414 60.811 61.300 -0.126 0.000 1.083 2563 I CB 1.663 39.471 38.000 -0.320 0.000 1.223 2563 I HN 0.573 nan 8.210 nan 0.000 0.443 2564 R N 4.950 125.543 120.500 0.155 0.000 2.265 2564 R HA 0.534 4.874 4.340 0.000 0.000 0.319 2564 R C -0.900 175.106 176.300 -0.489 0.000 1.006 2564 R CA -0.682 55.248 56.100 -0.284 0.000 0.880 2564 R CB 1.972 31.939 30.300 -0.555 0.000 1.077 2564 R HN 0.304 nan 8.270 nan 0.000 0.454 2565 V N 5.015 124.654 119.914 -0.457 0.000 2.368 2565 V HA 0.183 4.303 4.120 0.000 0.000 0.266 2565 V C -0.512 175.395 176.094 -0.312 0.000 1.045 2565 V CA -0.429 61.744 62.300 -0.211 0.000 0.899 2565 V CB 0.106 31.914 31.823 -0.025 0.000 1.006 2565 V HN 0.638 nan 8.190 nan 0.000 0.470 2566 W N 2.295 123.622 121.300 0.045 0.000 2.497 2566 W HA 0.518 5.178 4.660 0.000 0.000 0.359 2566 W C 0.152 176.687 176.519 0.027 0.000 1.131 2566 W CA -0.889 56.452 57.345 -0.008 0.000 1.280 2566 W CB 0.569 29.985 29.460 -0.074 0.000 1.319 2566 W HN 0.381 nan 8.180 nan 0.000 0.626 2567 D N 0.559 121.087 120.400 0.214 0.000 2.485 2567 D HA 0.150 4.790 4.640 0.000 0.000 0.229 2567 D C 0.942 177.216 176.300 -0.043 0.000 1.101 2567 D CA -0.314 53.713 54.000 0.045 0.000 0.906 2567 D CB 1.025 41.820 40.800 -0.008 0.000 1.019 2567 D HN 0.185 nan 8.370 nan 0.000 0.516 2568 V N 3.289 123.204 119.914 0.001 0.000 2.428 2568 V HA -0.267 3.853 4.120 0.000 0.000 0.255 2568 V C 2.147 178.162 176.094 -0.132 0.000 1.080 2568 V CA 1.589 63.857 62.300 -0.055 0.000 1.083 2568 V CB -0.406 31.524 31.823 0.178 0.000 0.665 2568 V HN 0.482 nan 8.190 nan 0.000 0.461 2569 E N 0.828 120.979 120.200 -0.082 0.000 2.016 2569 E HA -0.122 4.228 4.350 0.000 0.000 0.190 2569 E C 2.598 179.155 176.600 -0.073 0.000 0.985 2569 E CA 2.081 58.462 56.400 -0.032 0.000 0.802 2569 E CB -0.836 28.856 29.700 -0.014 0.000 0.762 2569 E HN 0.816 nan 8.360 nan 0.000 0.448 2570 T N -2.800 111.678 114.554 -0.127 0.000 2.985 2570 T HA 0.120 4.470 4.350 0.000 0.000 0.266 2570 T C 1.644 176.171 174.700 -0.287 0.000 1.076 2570 T CA 1.395 63.438 62.100 -0.094 0.000 1.135 2570 T CB 0.011 68.853 68.868 -0.043 0.000 0.890 2570 T HN 0.316 nan 8.240 nan 0.000 0.480 2571 G N 1.552 110.020 108.800 -0.554 0.000 2.179 2571 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 2571 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 2571 G C -0.053 174.816 174.900 -0.052 0.000 0.977 2571 G CA 0.045 44.766 45.100 -0.632 0.000 0.641 2571 G HN 0.697 nan 8.290 nan 0.000 0.533 2572 N N 0.173 118.876 118.700 0.005 0.000 2.475 2572 N HA 0.345 5.085 4.740 0.000 0.000 0.267 2572 N C 0.606 176.198 175.510 0.137 0.000 1.169 2572 N CA 0.016 53.119 53.050 0.088 0.000 0.947 2572 N CB 0.931 39.427 38.487 0.015 0.000 1.061 2572 N HN 0.348 nan 8.380 nan 0.000 0.466 2573 C N 3.788 123.153 119.300 0.109 0.000 2.634 2573 C HA 0.069 4.529 4.460 0.000 0.000 0.418 2573 C C 1.767 176.599 174.990 -0.263 0.000 1.373 2573 C CA -0.226 58.604 59.018 -0.313 0.000 1.756 2573 C CB -1.217 26.183 27.740 -0.568 0.000 2.589 2573 C HN 0.732 nan 8.230 nan 0.000 0.602 2574 I N 3.826 124.199 120.570 -0.329 0.000 3.081 2574 I HA 0.167 4.337 4.170 0.000 0.000 0.274 2574 I C 0.536 176.232 176.117 -0.701 0.000 1.178 2574 I CA 0.627 61.680 61.300 -0.411 0.000 1.460 2574 I CB -0.172 37.648 38.000 -0.300 0.000 1.137 2574 I HN 0.644 nan 8.210 nan 0.000 0.443 2575 H N -0.159 118.767 119.070 -0.239 0.000 3.038 2575 H HA 0.305 4.861 4.556 0.000 0.000 0.362 2575 H C -0.948 174.197 175.328 -0.305 0.000 1.167 2575 H CA -0.560 55.356 56.048 -0.220 0.000 1.197 2575 H CB 1.987 31.638 29.762 -0.186 0.000 1.840 2575 H HN -0.250 nan 8.280 nan 0.000 0.540 2576 T N 3.848 118.345 114.554 -0.096 0.000 3.378 2576 T HA 0.250 4.600 4.350 0.000 0.000 0.359 2576 T C 0.804 175.412 174.700 -0.153 0.000 1.815 2576 T CA -0.586 61.420 62.100 -0.156 0.000 1.509 2576 T CB -0.547 68.252 68.868 -0.114 0.000 1.049 2576 T HN 0.226 nan 8.240 nan 0.000 0.705 2577 L N 3.916 124.969 121.223 -0.283 0.000 2.742 2577 L HA 0.142 4.482 4.340 0.000 0.000 0.275 2577 L C 1.208 177.855 176.870 -0.372 0.000 1.141 2577 L CA -0.031 54.505 54.840 -0.506 0.000 0.987 2577 L CB -0.837 40.478 42.059 -1.240 0.000 1.319 2577 L HN 0.503 nan 8.230 nan 0.000 0.478 2578 T N -0.829 113.677 114.554 -0.080 0.000 2.945 2578 T HA 0.823 5.173 4.350 0.000 0.000 0.286 2578 T C 0.709 175.521 174.700 0.186 0.000 1.025 2578 T CA 0.034 62.147 62.100 0.022 0.000 1.039 2578 T CB 2.578 71.454 68.868 0.014 0.000 1.068 2578 T HN 0.683 nan 8.240 nan 0.000 0.497 2579 G N 0.102 108.982 108.800 0.133 0.000 4.205 2579 G HA2 -0.024 3.936 3.960 0.000 0.000 0.200 2579 G HA3 -0.024 3.936 3.960 0.000 0.000 0.200 2579 G C -0.029 174.882 174.900 0.018 0.000 1.190 2579 G CA -0.598 44.547 45.100 0.075 0.000 0.861 2579 G HN 0.871 nan 8.290 nan 0.000 0.326 2580 H N 1.452 120.615 119.070 0.155 0.000 2.929 2580 H HA 0.222 4.778 4.556 0.000 0.000 0.358 2580 H C 0.864 176.207 175.328 0.025 0.000 1.111 2580 H CA 0.716 56.811 56.048 0.078 0.000 1.409 2580 H CB 0.991 30.801 29.762 0.081 0.000 1.373 2580 H HN 0.279 nan 8.280 nan 0.000 0.610 2581 Q N 0.665 120.552 119.800 0.146 0.000 2.247 2581 Q HA 0.149 4.489 4.340 0.000 0.000 0.211 2581 Q C 0.537 176.556 176.000 0.031 0.000 0.861 2581 Q CA 0.075 55.915 55.803 0.061 0.000 0.949 2581 Q CB 1.141 29.902 28.738 0.040 0.000 1.115 2581 Q HN 0.467 nan 8.270 nan 0.000 0.507 2582 S N -0.621 115.098 115.700 0.032 0.000 3.070 2582 S HA 0.362 4.832 4.470 0.000 0.000 0.320 2582 S C -1.564 172.987 174.600 -0.081 0.000 1.215 2582 S CA -0.613 57.566 58.200 -0.034 0.000 0.956 2582 S CB 0.300 63.473 63.200 -0.045 0.000 1.337 2582 S HN 0.192 nan 8.310 nan 0.000 0.639 2583 L N 3.678 124.819 121.223 -0.137 0.000 2.456 2583 L HA 0.355 4.695 4.340 0.000 0.000 0.277 2583 L C -0.574 176.174 176.870 -0.203 0.000 1.124 2583 L CA 0.606 55.329 54.840 -0.194 0.000 0.880 2583 L CB 0.055 41.924 42.059 -0.317 0.000 1.192 2583 L HN 0.744 nan 8.230 nan 0.000 0.463 2584 T N 4.784 119.227 114.554 -0.185 0.000 2.848 2584 T HA 0.078 4.428 4.350 0.000 0.000 0.283 2584 T C 1.513 176.154 174.700 -0.099 0.000 0.919 2584 T CA 0.337 62.301 62.100 -0.225 0.000 1.071 2584 T CB 0.188 68.950 68.868 -0.176 0.000 0.912 2584 T HN 0.873 nan 8.240 nan 0.000 0.570 2585 S N 3.485 119.123 115.700 -0.104 0.000 2.331 2585 S HA 0.119 4.590 4.470 0.000 0.000 0.208 2585 S C 1.496 176.121 174.600 0.041 0.000 1.032 2585 S CA 0.160 58.345 58.200 -0.024 0.000 0.991 2585 S CB -0.880 62.301 63.200 -0.032 0.000 0.980 2585 S HN 0.681 nan 8.310 nan 0.000 0.433 2586 G N 0.823 109.641 108.800 0.031 0.000 2.636 2586 G HA2 0.533 4.493 3.960 0.000 0.000 0.246 2586 G HA3 0.533 4.493 3.960 0.000 0.000 0.246 2586 G C -0.655 174.296 174.900 0.084 0.000 1.216 2586 G CA -0.489 44.657 45.100 0.076 0.000 0.854 2586 G HN 0.520 nan 8.290 nan 0.000 0.572 2587 M N 0.744 120.422 119.600 0.129 0.000 2.429 2587 M HA 0.108 4.588 4.480 0.000 0.000 0.221 2587 M C -1.893 174.524 176.300 0.196 0.000 0.942 2587 M CA -0.480 54.910 55.300 0.150 0.000 0.805 2587 M CB 2.168 34.846 32.600 0.129 0.000 2.336 2587 M HN 0.425 nan 8.290 nan 0.000 0.447 2588 E N 3.113 123.473 120.200 0.266 0.000 2.199 2588 E HA 0.603 4.953 4.350 0.000 0.000 0.265 2588 E C -1.599 175.276 176.600 0.458 0.000 0.882 2588 E CA -0.758 55.865 56.400 0.373 0.000 0.759 2588 E CB 3.039 33.045 29.700 0.510 0.000 1.148 2588 E HN 0.566 nan 8.360 nan 0.000 0.412 2589 L N 2.799 124.221 121.223 0.333 0.000 2.322 2589 L HA 0.561 4.901 4.340 0.000 0.000 0.281 2589 L C -1.006 176.029 176.870 0.275 0.000 1.014 2589 L CA -0.268 54.749 54.840 0.295 0.000 0.815 2589 L CB 1.020 43.196 42.059 0.196 0.000 1.247 2589 L HN 0.449 nan 8.230 nan 0.000 0.421 2590 K N 3.381 123.981 120.400 0.334 0.000 2.587 2590 K HA 0.317 4.637 4.320 0.000 0.000 0.256 2590 K C -0.974 175.743 176.600 0.194 0.000 0.974 2590 K CA -0.349 56.058 56.287 0.200 0.000 0.855 2590 K CB 0.899 33.427 32.500 0.046 0.000 1.292 2590 K HN 0.611 nan 8.250 nan 0.000 0.444 2591 D N 3.546 124.011 120.400 0.108 0.000 2.723 2591 D HA -0.186 4.454 4.640 0.000 0.000 0.236 2591 D C -0.547 175.802 176.300 0.082 0.000 1.138 2591 D CA 1.619 55.670 54.000 0.084 0.000 0.676 2591 D CB -0.773 40.072 40.800 0.075 0.000 1.069 2591 D HN 0.828 nan 8.370 nan 0.000 0.430 2592 N N -1.685 117.062 118.700 0.078 0.000 2.753 2592 N HA -0.237 4.503 4.740 0.000 0.000 0.251 2592 N C -0.219 175.310 175.510 0.031 0.000 1.097 2592 N CA 1.241 54.301 53.050 0.016 0.000 0.786 2592 N CB -1.128 37.343 38.487 -0.027 0.000 1.137 2592 N HN 0.551 nan 8.380 nan 0.000 0.566 2593 I N 1.169 121.796 120.570 0.096 0.000 2.339 2593 I HA 0.286 4.456 4.170 0.000 0.000 0.290 2593 I C 0.063 176.223 176.117 0.071 0.000 0.994 2593 I CA -0.756 60.584 61.300 0.066 0.000 1.191 2593 I CB 1.481 39.528 38.000 0.079 0.000 1.343 2593 I HN -0.070 nan 8.210 nan 0.000 0.458 2594 L N 8.340 129.595 121.223 0.053 0.000 2.329 2594 L HA 0.613 4.953 4.340 0.000 0.000 0.279 2594 L C -0.911 175.992 176.870 0.054 0.000 1.014 2594 L CA -0.368 54.530 54.840 0.097 0.000 0.814 2594 L CB 1.777 43.913 42.059 0.128 0.000 1.257 2594 L HN 0.276 nan 8.230 nan 0.000 0.424 2595 V N 3.770 123.641 119.914 -0.071 0.000 2.409 2595 V HA 0.507 4.627 4.120 0.000 0.000 0.290 2595 V C -0.441 175.725 176.094 0.119 0.000 1.017 2595 V CA -0.486 61.744 62.300 -0.116 0.000 0.841 2595 V CB 1.588 33.118 31.823 -0.489 0.000 1.003 2595 V HN 0.873 nan 8.190 nan 0.000 0.426 2596 S N 3.077 118.945 115.700 0.280 0.000 2.437 2596 S HA 0.758 5.228 4.470 0.000 0.000 0.305 2596 S C 0.209 174.882 174.600 0.122 0.000 1.109 2596 S CA -0.490 57.869 58.200 0.266 0.000 1.099 2596 S CB 1.704 65.207 63.200 0.505 0.000 1.004 2596 S HN 0.976 nan 8.310 nan 0.000 0.475 2597 G N 2.100 110.903 108.800 0.005 0.000 2.338 2597 G HA2 0.431 4.391 3.960 0.000 0.000 0.298 2597 G HA3 0.431 4.391 3.960 0.000 0.000 0.298 2597 G C -0.578 174.203 174.900 -0.198 0.000 1.140 2597 G CA -0.617 44.450 45.100 -0.055 0.000 0.860 2597 G HN 0.722 nan 8.290 nan 0.000 0.470 2598 N N 1.139 119.695 118.700 -0.239 0.000 2.229 2598 N HA 0.358 5.098 4.740 0.000 0.000 0.298 2598 N C 1.024 176.450 175.510 -0.140 0.000 1.114 2598 N CA -0.182 52.679 53.050 -0.314 0.000 0.776 2598 N CB 2.289 40.388 38.487 -0.646 0.000 1.501 2598 N HN 0.336 nan 8.380 nan 0.000 0.474 2599 A N 1.532 124.274 122.820 -0.129 0.000 2.131 2599 A HA -0.187 4.133 4.320 0.000 0.000 0.220 2599 A C 1.122 178.682 177.584 -0.039 0.000 1.158 2599 A CA 1.748 53.736 52.037 -0.082 0.000 0.665 2599 A CB -0.492 18.447 19.000 -0.101 0.000 0.795 2599 A HN 0.806 nan 8.150 nan 0.000 0.460 2600 D N -0.590 119.797 120.400 -0.022 0.000 2.371 2600 D HA -0.065 4.575 4.640 0.000 0.000 0.234 2600 D C 0.859 177.186 176.300 0.046 0.000 1.049 2600 D CA 1.176 55.191 54.000 0.026 0.000 0.907 2600 D CB -0.771 40.073 40.800 0.074 0.000 0.891 2600 D HN 0.835 nan 8.370 nan 0.000 0.531 2601 S N -3.329 112.393 115.700 0.038 0.000 3.084 2601 S HA -0.214 4.256 4.470 0.000 0.000 0.277 2601 S C 0.219 174.892 174.600 0.121 0.000 1.295 2601 S CA 1.179 59.431 58.200 0.086 0.000 1.170 2601 S CB -2.708 60.553 63.200 0.102 0.000 1.412 2601 S HN 0.413 nan 8.310 nan 0.000 0.669 2602 T N 1.469 116.078 114.554 0.091 0.000 2.895 2602 T HA 0.690 5.040 4.350 0.000 0.000 0.283 2602 T C -0.419 174.339 174.700 0.096 0.000 1.014 2602 T CA -0.051 62.100 62.100 0.085 0.000 1.037 2602 T CB 1.693 70.627 68.868 0.112 0.000 1.006 2602 T HN 0.519 nan 8.240 nan 0.000 0.468 2603 V N 4.173 124.060 119.914 -0.044 0.000 2.555 2603 V HA 0.562 4.682 4.120 0.000 0.000 0.302 2603 V C -0.258 175.759 176.094 -0.128 0.000 1.038 2603 V CA -0.815 61.447 62.300 -0.063 0.000 0.887 2603 V CB 1.952 33.607 31.823 -0.281 0.000 0.991 2603 V HN 0.739 nan 8.190 nan 0.000 0.434 2604 K N 4.328 124.725 120.400 -0.006 0.000 2.375 2604 K HA 0.706 5.026 4.320 0.000 0.000 0.249 2604 K C -1.399 174.945 176.600 -0.426 0.000 0.942 2604 K CA -0.718 55.348 56.287 -0.368 0.000 0.806 2604 K CB 2.821 34.933 32.500 -0.647 0.000 1.227 2604 K HN 0.499 nan 8.250 nan 0.000 0.430 2605 I N 2.177 122.354 120.570 -0.656 0.000 2.362 2605 I HA 0.391 4.561 4.170 0.000 0.000 0.289 2605 I C -1.143 174.628 176.117 -0.576 0.000 0.994 2605 I CA -0.770 60.246 61.300 -0.474 0.000 1.158 2605 I CB 0.803 38.581 38.000 -0.370 0.000 1.315 2605 I HN 0.437 nan 8.210 nan 0.000 0.451 2606 W N 3.962 125.146 121.300 -0.192 0.000 2.799 2606 W HA 0.375 5.035 4.660 0.000 0.000 0.349 2606 W C -0.170 176.253 176.519 -0.160 0.000 1.100 2606 W CA -0.715 56.529 57.345 -0.169 0.000 1.174 2606 W CB 0.680 30.048 29.460 -0.153 0.000 1.427 2606 W HN 0.279 nan 8.180 nan 0.000 0.547 2607 D N 2.766 123.217 120.400 0.085 0.000 2.499 2607 D HA 0.102 4.742 4.640 0.000 0.000 0.225 2607 D C 1.270 177.534 176.300 -0.060 0.000 1.124 2607 D CA -0.325 53.671 54.000 -0.008 0.000 0.938 2607 D CB 0.315 41.090 40.800 -0.042 0.000 1.014 2607 D HN 0.549 nan 8.370 nan 0.000 0.517 2608 I N -0.057 120.480 120.570 -0.055 0.000 2.761 2608 I HA -0.222 3.948 4.170 0.000 0.000 0.266 2608 I C 1.491 177.536 176.117 -0.119 0.000 1.239 2608 I CA 0.768 61.992 61.300 -0.125 0.000 1.451 2608 I CB 0.049 37.971 38.000 -0.131 0.000 1.096 2608 I HN 0.022 nan 8.210 nan 0.000 0.465 2609 K N 1.287 121.625 120.400 -0.102 0.000 2.005 2609 K HA -0.068 4.252 4.320 0.000 0.000 0.206 2609 K C 2.241 178.907 176.600 0.109 0.000 1.044 2609 K CA 2.026 58.316 56.287 0.005 0.000 0.942 2609 K CB -0.217 32.283 32.500 0.001 0.000 0.727 2609 K HN 0.584 nan 8.250 nan 0.000 0.439 2610 T N -2.821 111.698 114.554 -0.059 0.000 3.081 2610 T HA 0.121 4.471 4.350 0.000 0.000 0.255 2610 T C 1.405 175.873 174.700 -0.387 0.000 1.113 2610 T CA 0.665 62.708 62.100 -0.095 0.000 1.082 2610 T CB 0.304 69.138 68.868 -0.058 0.000 0.939 2610 T HN 0.389 nan 8.240 nan 0.000 0.506 2611 G N 1.286 109.646 108.800 -0.734 0.000 2.168 2611 G HA2 -0.330 3.630 3.960 0.000 0.000 0.263 2611 G HA3 -0.330 3.630 3.960 0.000 0.000 0.263 2611 G C -0.095 174.692 174.900 -0.189 0.000 0.977 2611 G CA 0.431 45.032 45.100 -0.832 0.000 0.659 2611 G HN 0.998 nan 8.290 nan 0.000 0.533 2612 Q N -0.296 119.439 119.800 -0.109 0.000 2.314 2612 Q HA 0.425 4.765 4.340 0.000 0.000 0.258 2612 Q C 0.709 176.710 176.000 0.001 0.000 0.954 2612 Q CA -0.194 55.587 55.803 -0.037 0.000 0.890 2612 Q CB 0.796 29.494 28.738 -0.067 0.000 1.210 2612 Q HN 0.601 nan 8.270 nan 0.000 0.410 2613 C N 7.455 126.684 119.300 -0.118 0.000 2.400 2613 C HA 0.256 4.716 4.460 0.000 0.000 0.457 2613 C C 1.617 176.345 174.990 -0.437 0.000 1.020 2613 C CA -0.600 58.099 59.018 -0.533 0.000 1.258 2613 C CB -2.124 25.129 27.740 -0.812 0.000 1.532 2613 C HN 1.133 nan 8.230 nan 0.000 0.537 2614 L N 2.086 123.116 121.223 -0.321 0.000 2.058 2614 L HA -0.204 4.136 4.340 0.000 0.000 0.226 2614 L C 1.402 178.114 176.870 -0.263 0.000 1.089 2614 L CA 1.661 56.358 54.840 -0.238 0.000 0.799 2614 L CB -0.419 41.520 42.059 -0.199 0.000 0.900 2614 L HN 0.653 nan 8.230 nan 0.000 0.442 2615 Q N -1.792 117.786 119.800 -0.370 0.000 2.590 2615 Q HA 0.448 4.788 4.340 0.000 0.000 0.295 2615 Q C -1.093 174.650 176.000 -0.429 0.000 0.973 2615 Q CA -0.376 55.237 55.803 -0.317 0.000 0.768 2615 Q CB 2.464 31.067 28.738 -0.225 0.000 1.479 2615 Q HN -0.062 nan 8.270 nan 0.000 0.419 2616 T N 1.158 115.514 114.554 -0.330 0.000 2.928 2616 T HA 0.477 4.827 4.350 0.000 0.000 0.296 2616 T C -0.176 174.344 174.700 -0.299 0.000 1.000 2616 T CA -0.556 61.336 62.100 -0.348 0.000 0.989 2616 T CB 0.592 69.284 68.868 -0.293 0.000 1.005 2616 T HN 0.295 nan 8.240 nan 0.000 0.442 2617 L N 4.141 125.086 121.223 -0.463 0.000 2.389 2617 L HA 0.346 4.686 4.340 0.000 0.000 0.265 2617 L C 0.705 177.274 176.870 -0.502 0.000 1.167 2617 L CA -0.210 54.119 54.840 -0.853 0.000 1.045 2617 L CB -0.360 40.569 42.059 -1.883 0.000 1.351 2617 L HN 0.673 nan 8.230 nan 0.000 0.419 2618 Q N 1.597 121.367 119.800 -0.050 0.000 3.083 2618 Q HA 0.803 5.143 4.340 0.000 0.000 0.205 2618 Q C 0.344 176.492 176.000 0.246 0.000 1.165 2618 Q CA -0.582 55.280 55.803 0.098 0.000 0.365 2618 Q CB 0.691 29.441 28.738 0.020 0.000 5.649 2618 Q HN 0.494 nan 8.270 nan 0.000 0.298 2619 G N 0.245 109.115 108.800 0.116 0.000 2.712 2619 G HA2 -0.155 3.805 3.960 0.000 0.000 0.683 2619 G HA3 -0.155 3.805 3.960 0.000 0.000 0.683 2619 G C -2.400 172.495 174.900 -0.008 0.000 1.320 2619 G CA -0.514 44.634 45.100 0.080 0.000 0.847 2619 G HN 0.318 nan 8.290 nan 0.000 0.553 2620 P HA -0.055 nan 4.420 nan 0.000 0.218 2620 P C 1.146 178.313 177.300 -0.222 0.000 1.146 2620 P CA 1.474 64.509 63.100 -0.108 0.000 0.813 2620 P CB 0.034 31.677 31.700 -0.094 0.000 0.778 2621 N N -0.382 118.080 118.700 -0.397 0.000 2.279 2621 N HA 0.030 4.770 4.740 0.000 0.000 0.226 2621 N C 0.438 175.572 175.510 -0.627 0.000 1.126 2621 N CA -0.010 52.544 53.050 -0.825 0.000 0.846 2621 N CB 0.201 37.503 38.487 -1.975 0.000 1.050 2621 N HN 0.401 nan 8.380 nan 0.000 0.502 2622 K N 0.509 120.819 120.400 -0.151 0.000 2.234 2622 K HA 0.047 4.367 4.320 0.000 0.000 0.251 2622 K C -0.040 176.560 176.600 0.001 0.000 1.011 2622 K CA 0.095 56.461 56.287 0.130 0.000 0.889 2622 K CB 0.602 33.167 32.500 0.109 0.000 1.011 2622 K HN 0.073 nan 8.250 nan 0.000 0.505 2623 H N 1.042 120.233 119.070 0.203 0.000 2.707 2623 H HA -0.005 4.551 4.556 0.000 0.000 0.359 2623 H C 0.928 176.290 175.328 0.057 0.000 1.113 2623 H CA 0.281 56.407 56.048 0.130 0.000 1.422 2623 H CB 1.560 31.412 29.762 0.151 0.000 1.443 2623 H HN 0.629 nan 8.280 nan 0.000 0.591 2624 Q N 1.389 121.282 119.800 0.155 0.000 2.089 2624 Q HA -0.011 4.329 4.340 0.000 0.000 0.195 2624 Q C 0.669 176.716 176.000 0.078 0.000 0.963 2624 Q CA 0.828 56.677 55.803 0.078 0.000 0.834 2624 Q CB 0.427 29.189 28.738 0.040 0.000 0.906 2624 Q HN 0.646 nan 8.270 nan 0.000 0.452 2625 S N -0.277 115.475 115.700 0.088 0.000 2.667 2625 S HA 0.659 5.129 4.470 0.000 0.000 0.292 2625 S C -0.130 174.494 174.600 0.041 0.000 1.108 2625 S CA -0.685 57.545 58.200 0.050 0.000 0.992 2625 S CB 0.720 63.938 63.200 0.030 0.000 1.269 2625 S HN 0.247 nan 8.310 nan 0.000 0.528 2626 A N 0.512 123.335 122.820 0.006 0.000 2.531 2626 A HA 0.463 4.783 4.320 0.000 0.000 0.236 2626 A C 0.012 177.549 177.584 -0.078 0.000 1.062 2626 A CA -0.430 51.592 52.037 -0.025 0.000 0.760 2626 A CB -0.521 18.462 19.000 -0.028 0.000 0.995 2626 A HN 0.727 nan 8.150 nan 0.000 0.501 2627 V N 3.289 123.137 119.914 -0.110 0.000 2.455 2627 V HA 0.187 4.307 4.120 0.000 0.000 0.273 2627 V C 1.597 177.630 176.094 -0.101 0.000 1.045 2627 V CA 0.721 62.901 62.300 -0.199 0.000 0.976 2627 V CB 0.618 32.353 31.823 -0.147 0.000 0.993 2627 V HN 1.167 nan 8.190 nan 0.000 0.475 2628 T N 0.373 114.881 114.554 -0.075 0.000 3.033 2628 T HA 0.122 4.472 4.350 0.000 0.000 0.248 2628 T C 0.532 175.264 174.700 0.054 0.000 1.040 2628 T CA 0.224 62.336 62.100 0.018 0.000 1.133 2628 T CB 0.243 69.151 68.868 0.067 0.000 0.895 2628 T HN 0.583 nan 8.240 nan 0.000 0.465 2629 C N 1.024 120.352 119.300 0.047 0.000 3.318 2629 C HA 0.853 5.313 4.460 0.000 0.000 0.322 2629 C C -2.209 172.843 174.990 0.105 0.000 1.398 2629 C CA -1.135 57.939 59.018 0.093 0.000 1.339 2629 C CB 1.228 29.042 27.740 0.122 0.000 1.668 2629 C HN 0.840 nan 8.230 nan 0.000 0.462 2630 L N 1.736 123.045 121.223 0.143 0.000 2.612 2630 L HA 0.772 5.112 4.340 0.000 0.000 0.256 2630 L C -1.344 175.655 176.870 0.214 0.000 0.949 2630 L CA -0.257 54.691 54.840 0.178 0.000 0.867 2630 L CB 1.630 43.781 42.059 0.153 0.000 1.417 2630 L HN 0.583 nan 8.230 nan 0.000 0.414 2631 Q N 2.177 122.117 119.800 0.234 0.000 2.421 2631 Q HA 0.797 5.137 4.340 0.000 0.000 0.280 2631 Q C -1.579 174.587 176.000 0.276 0.000 1.085 2631 Q CA -0.270 55.654 55.803 0.202 0.000 0.807 2631 Q CB 3.245 32.066 28.738 0.138 0.000 1.405 2631 Q HN 0.837 nan 8.270 nan 0.000 0.419 2632 F N -0.351 119.619 119.950 0.034 0.000 2.703 2632 F HA 0.643 5.170 4.527 0.000 0.000 0.308 2632 F C -1.366 174.422 175.800 -0.021 0.000 1.126 2632 F CA -0.888 57.120 58.000 0.013 0.000 0.959 2632 F CB 0.921 39.941 39.000 0.034 0.000 1.297 2632 F HN 0.584 nan 8.300 nan 0.000 0.441 2633 N N 0.754 119.424 118.700 -0.051 0.000 3.379 2633 N HA 0.362 5.102 4.740 0.000 0.000 0.350 2633 N C 0.017 175.537 175.510 0.017 0.000 1.553 2633 N CA -0.504 52.438 53.050 -0.181 0.000 0.712 2633 N CB 0.638 39.010 38.487 -0.191 0.000 1.880 2633 N HN 0.712 nan 8.380 nan 0.000 0.648 2634 K N -1.124 119.234 120.400 -0.070 0.000 2.211 2634 K HA 0.083 4.403 4.320 0.000 0.000 0.203 2634 K C 0.389 176.912 176.600 -0.129 0.000 1.050 2634 K CA 1.073 57.333 56.287 -0.044 0.000 0.945 2634 K CB -0.240 32.217 32.500 -0.071 0.000 0.732 2634 K HN 0.322 nan 8.250 nan 0.000 0.451 2635 N N 0.046 118.562 118.700 -0.306 0.000 2.420 2635 N HA 0.118 4.858 4.740 0.000 0.000 0.185 2635 N C 0.167 175.302 175.510 -0.625 0.000 1.033 2635 N CA 0.697 53.365 53.050 -0.637 0.000 0.879 2635 N CB 0.141 37.914 38.487 -1.189 0.000 1.071 2635 N HN 0.089 nan 8.380 nan 0.000 0.437 2636 F N -0.094 119.815 119.950 -0.069 0.000 2.639 2636 F HA 0.610 5.137 4.527 0.000 0.000 0.339 2636 F C -0.114 175.729 175.800 0.072 0.000 1.071 2636 F CA -1.217 56.763 58.000 -0.032 0.000 0.994 2636 F CB 1.423 40.326 39.000 -0.161 0.000 1.341 2636 F HN -0.418 nan 8.300 nan 0.000 0.498 2637 V N 2.415 122.562 119.914 0.388 0.000 2.483 2637 V HA 0.430 4.550 4.120 0.000 0.000 0.297 2637 V C -0.461 175.874 176.094 0.402 0.000 1.027 2637 V CA -0.664 61.841 62.300 0.342 0.000 0.855 2637 V CB 1.769 33.701 31.823 0.181 0.000 0.995 2637 V HN 0.510 nan 8.190 nan 0.000 0.424 2638 I N 4.649 125.398 120.570 0.298 0.000 2.336 2638 I HA 0.562 4.732 4.170 0.000 0.000 0.292 2638 I C 0.175 176.501 176.117 0.348 0.000 0.991 2638 I CA -0.148 61.328 61.300 0.293 0.000 1.227 2638 I CB 2.052 40.153 38.000 0.169 0.000 1.366 2638 I HN 0.732 nan 8.210 nan 0.000 0.466 2639 T N 1.671 116.513 114.554 0.479 0.000 2.841 2639 T HA 0.588 4.938 4.350 0.000 0.000 0.285 2639 T C -0.267 174.653 174.700 0.368 0.000 0.991 2639 T CA -0.797 61.559 62.100 0.427 0.000 0.966 2639 T CB 1.530 70.760 68.868 0.604 0.000 0.962 2639 T HN 0.559 nan 8.240 nan 0.000 0.438 2640 S N 2.331 118.113 115.700 0.136 0.000 2.651 2640 S HA 0.863 5.333 4.470 0.000 0.000 0.291 2640 S C -0.145 174.351 174.600 -0.172 0.000 1.141 2640 S CA -0.704 57.536 58.200 0.067 0.000 1.027 2640 S CB 1.621 64.864 63.200 0.072 0.000 1.043 2640 S HN 1.186 nan 8.310 nan 0.000 0.530 2641 S N -0.319 115.296 115.700 -0.141 0.000 2.625 2641 S HA 0.383 4.853 4.470 0.000 0.000 0.271 2641 S C -0.334 174.228 174.600 -0.063 0.000 1.161 2641 S CA -0.546 57.531 58.200 -0.204 0.000 0.820 2641 S CB 1.302 64.260 63.200 -0.405 0.000 1.137 2641 S HN 0.691 nan 8.310 nan 0.000 0.470 2642 D N 0.996 121.370 120.400 -0.043 0.000 2.263 2642 D HA -0.050 4.590 4.640 0.000 0.000 0.208 2642 D C 1.001 177.290 176.300 -0.018 0.000 0.971 2642 D CA 1.570 55.553 54.000 -0.028 0.000 0.867 2642 D CB -0.028 40.773 40.800 0.002 0.000 0.929 2642 D HN 0.664 nan 8.370 nan 0.000 0.492 2643 D N -1.060 119.358 120.400 0.030 0.000 2.371 2643 D HA 0.043 4.683 4.640 0.000 0.000 0.234 2643 D C 1.514 177.832 176.300 0.030 0.000 1.049 2643 D CA 0.716 54.746 54.000 0.050 0.000 0.907 2643 D CB -0.673 40.197 40.800 0.117 0.000 0.891 2643 D HN 0.158 nan 8.370 nan 0.000 0.531 2644 G N 0.160 108.954 108.800 -0.010 0.000 2.166 2644 G HA2 -0.272 3.688 3.960 0.000 0.000 0.260 2644 G HA3 -0.272 3.688 3.960 0.000 0.000 0.260 2644 G C 0.379 175.286 174.900 0.012 0.000 0.986 2644 G CA 0.846 45.921 45.100 -0.042 0.000 0.683 2644 G HN 0.880 nan 8.290 nan 0.000 0.527 2645 T N -2.498 112.114 114.554 0.097 0.000 2.829 2645 T HA 0.682 5.032 4.350 0.000 0.000 0.280 2645 T C -0.399 174.455 174.700 0.257 0.000 0.999 2645 T CA -0.552 61.638 62.100 0.149 0.000 0.983 2645 T CB 2.742 71.702 68.868 0.153 0.000 0.968 2645 T HN 0.748 nan 8.240 nan 0.000 0.446 2646 V N 3.965 124.001 119.914 0.204 0.000 2.328 2646 V HA 0.419 4.539 4.120 0.000 0.000 0.278 2646 V C 0.211 176.452 176.094 0.246 0.000 1.021 2646 V CA -0.813 61.639 62.300 0.254 0.000 0.838 2646 V CB 0.864 32.795 31.823 0.181 0.000 0.999 2646 V HN 0.868 nan 8.190 nan 0.000 0.447 2647 K N 4.366 124.976 120.400 0.350 0.000 2.098 2647 K HA 0.593 4.913 4.320 0.000 0.000 0.258 2647 K C -0.935 175.656 176.600 -0.015 0.000 0.973 2647 K CA -0.730 55.625 56.287 0.115 0.000 0.898 2647 K CB 1.961 34.510 32.500 0.083 0.000 1.057 2647 K HN 0.386 nan 8.250 nan 0.000 0.447 2648 L N 3.701 124.673 121.223 -0.418 0.000 2.305 2648 L HA 0.431 4.771 4.340 0.000 0.000 0.284 2648 L C -1.677 174.846 176.870 -0.578 0.000 1.013 2648 L CA -0.420 54.208 54.840 -0.352 0.000 0.819 2648 L CB 0.506 42.306 42.059 -0.432 0.000 1.227 2648 L HN 0.681 nan 8.230 nan 0.000 0.417 2649 W N 3.053 124.316 121.300 -0.062 0.000 2.719 2649 W HA 0.335 4.995 4.660 0.000 0.000 0.352 2649 W C 0.111 176.705 176.519 0.125 0.000 1.085 2649 W CA -0.581 56.766 57.345 0.003 0.000 1.187 2649 W CB 0.846 30.345 29.460 0.064 0.000 1.417 2649 W HN 0.406 nan 8.180 nan 0.000 0.557 2650 D N 2.552 123.152 120.400 0.334 0.000 2.393 2650 D HA 0.017 4.657 4.640 0.000 0.000 0.232 2650 D C 0.989 177.387 176.300 0.163 0.000 1.192 2650 D CA -0.045 54.093 54.000 0.230 0.000 0.882 2650 D CB 1.044 41.929 40.800 0.140 0.000 1.038 2650 D HN 0.461 nan 8.370 nan 0.000 0.499 2651 L N 5.713 127.007 121.223 0.119 0.000 1.997 2651 L HA -0.264 4.076 4.340 0.000 0.000 0.216 2651 L C 2.104 178.970 176.870 -0.007 0.000 1.074 2651 L CA 1.912 56.778 54.840 0.043 0.000 0.763 2651 L CB -0.157 41.926 42.059 0.039 0.000 0.890 2651 L HN 0.298 nan 8.230 nan 0.000 0.434 2652 K N -1.120 119.269 120.400 -0.019 0.000 2.009 2652 K HA -0.183 4.137 4.320 0.000 0.000 0.210 2652 K C 1.946 178.538 176.600 -0.015 0.000 1.049 2652 K CA 2.247 58.518 56.287 -0.027 0.000 0.929 2652 K CB -0.655 31.823 32.500 -0.035 0.000 0.714 2652 K HN 0.664 nan 8.250 nan 0.000 0.440 2653 T N -2.866 111.696 114.554 0.013 0.000 3.067 2653 T HA 0.126 4.476 4.350 0.000 0.000 0.257 2653 T C 1.504 176.230 174.700 0.043 0.000 1.105 2653 T CA 0.628 62.743 62.100 0.025 0.000 1.104 2653 T CB 0.170 69.064 68.868 0.043 0.000 0.925 2653 T HN 0.411 nan 8.240 nan 0.000 0.498 2654 G N 1.243 110.082 108.800 0.065 0.000 2.175 2654 G HA2 -0.268 3.692 3.960 0.000 0.000 0.265 2654 G HA3 -0.268 3.692 3.960 0.000 0.000 0.265 2654 G C -0.182 174.862 174.900 0.240 0.000 0.979 2654 G CA 0.393 45.545 45.100 0.087 0.000 0.663 2654 G HN 0.685 nan 8.290 nan 0.000 0.533 2655 E N -0.682 119.657 120.200 0.231 0.000 2.343 2655 E HA 0.480 4.830 4.350 0.000 0.000 0.269 2655 E C 0.144 176.944 176.600 0.333 0.000 1.047 2655 E CA -0.908 55.648 56.400 0.260 0.000 0.874 2655 E CB 0.789 30.570 29.700 0.136 0.000 1.033 2655 E HN 0.296 nan 8.360 nan 0.000 0.409 2656 F N 2.932 122.928 119.950 0.076 0.000 2.484 2656 F HA 0.142 4.669 4.527 0.000 0.000 0.360 2656 F C 0.384 175.995 175.800 -0.316 0.000 1.101 2656 F CA 0.138 57.829 58.000 -0.515 0.000 1.251 2656 F CB 0.403 38.956 39.000 -0.746 0.000 1.132 2656 F HN 0.425 nan 8.300 nan 0.000 0.570 2657 I N 3.837 123.648 120.570 -1.265 0.000 2.900 2657 I HA 0.145 4.315 4.170 0.000 0.000 0.251 2657 I C 0.262 175.686 176.117 -1.156 0.000 1.102 2657 I CA 0.043 60.841 61.300 -0.837 0.000 1.457 2657 I CB 0.031 37.727 38.000 -0.507 0.000 1.285 2657 I HN 0.661 nan 8.210 nan 0.000 0.459 2658 R N 0.329 119.847 120.500 -1.637 0.000 2.774 2658 R HA 0.274 4.614 4.340 0.000 0.000 0.279 2658 R C -1.767 174.194 176.300 -0.565 0.000 1.022 2658 R CA -0.752 54.809 56.100 -0.899 0.000 0.855 2658 R CB 0.586 30.665 30.300 -0.369 0.000 1.279 2658 R HN -0.079 nan 8.270 nan 0.000 0.485 2659 N N 1.298 120.006 118.700 0.014 0.000 2.469 2659 N HA 0.131 4.871 4.740 0.000 0.000 0.239 2659 N C 0.535 176.057 175.510 0.020 0.000 1.053 2659 N CA -0.580 52.517 53.050 0.079 0.000 0.937 2659 N CB 1.030 39.595 38.487 0.130 0.000 1.163 2659 N HN 0.329 nan 8.380 nan 0.000 0.509 2660 L N 1.894 123.132 121.223 0.025 0.000 2.079 2660 L HA -0.022 4.318 4.340 0.000 0.000 0.210 2660 L C 0.579 177.491 176.870 0.070 0.000 1.081 2660 L CA 1.241 56.137 54.840 0.094 0.000 0.752 2660 L CB -0.592 41.583 42.059 0.194 0.000 0.896 2660 L HN 0.324 nan 8.230 nan 0.000 0.433 2661 V N -1.598 118.357 119.914 0.068 0.000 2.876 2661 V HA 0.533 4.653 4.120 0.000 0.000 0.312 2661 V C -0.272 175.842 176.094 0.034 0.000 1.085 2661 V CA -0.584 61.736 62.300 0.033 0.000 0.945 2661 V CB 2.164 34.005 31.823 0.031 0.000 1.017 2661 V HN 0.092 nan 8.190 nan 0.000 0.428 2662 T N 4.259 118.815 114.554 0.004 0.000 3.318 2662 T HA 0.270 4.620 4.350 0.000 0.000 0.304 2662 T C -0.672 174.016 174.700 -0.021 0.000 1.051 2662 T CA -0.438 61.663 62.100 0.002 0.000 1.546 2662 T CB 0.207 69.075 68.868 0.001 0.000 0.875 2662 T HN 0.256 nan 8.240 nan 0.000 0.578 2663 L N 2.681 123.884 121.223 -0.034 0.000 2.667 2663 L HA 0.062 4.402 4.340 0.000 0.000 0.278 2663 L C 1.743 178.587 176.870 -0.043 0.000 1.217 2663 L CA 0.697 55.505 54.840 -0.053 0.000 0.935 2663 L CB -0.164 41.847 42.059 -0.080 0.000 1.193 2663 L HN 0.587 nan 8.230 nan 0.000 0.493 2664 E N 1.124 121.299 120.200 -0.042 0.000 2.401 2664 E HA -0.169 4.181 4.350 0.000 0.000 0.199 2664 E C 1.341 177.920 176.600 -0.034 0.000 1.023 2664 E CA 1.187 57.566 56.400 -0.035 0.000 0.859 2664 E CB 0.161 29.840 29.700 -0.034 0.000 0.780 2664 E HN 0.811 nan 8.360 nan 0.000 0.523 2665 S N -1.120 114.555 115.700 -0.043 0.000 2.523 2665 S HA 0.126 4.596 4.470 0.000 0.000 0.217 2665 S C 2.007 176.580 174.600 -0.045 0.000 0.996 2665 S CA 0.135 58.309 58.200 -0.042 0.000 0.921 2665 S CB 0.443 63.613 63.200 -0.050 0.000 0.829 2665 S HN 0.251 nan 8.310 nan 0.000 0.495 2666 G N 2.105 110.877 108.800 -0.047 0.000 2.661 2666 G HA2 -0.194 3.766 3.960 0.000 0.000 0.224 2666 G HA3 -0.194 3.766 3.960 0.000 0.000 0.224 2666 G C 1.249 176.133 174.900 -0.027 0.000 1.114 2666 G CA 1.050 46.125 45.100 -0.042 0.000 0.751 2666 G HN 0.710 nan 8.290 nan 0.000 0.609 2667 G N -0.442 108.346 108.800 -0.021 0.000 2.662 2667 G HA2 0.184 4.144 3.960 0.000 0.000 0.212 2667 G HA3 0.184 4.144 3.960 0.000 0.000 0.212 2667 G C 1.438 176.330 174.900 -0.013 0.000 1.141 2667 G CA 1.067 46.159 45.100 -0.013 0.000 0.797 2667 G HN 0.795 nan 8.290 nan 0.000 0.531 2668 S N -0.482 115.207 115.700 -0.018 0.000 2.519 2668 S HA 0.496 4.966 4.470 0.000 0.000 0.245 2668 S C 1.367 175.958 174.600 -0.015 0.000 1.152 2668 S CA 0.519 58.710 58.200 -0.014 0.000 1.175 2668 S CB 0.053 63.244 63.200 -0.014 0.000 0.829 2668 S HN 1.268 nan 8.310 nan 0.000 0.472 2669 G N 0.424 109.214 108.800 -0.017 0.000 2.254 2669 G HA2 -0.139 3.821 3.960 0.000 0.000 0.225 2669 G HA3 -0.139 3.821 3.960 0.000 0.000 0.225 2669 G C 0.537 175.409 174.900 -0.047 0.000 1.003 2669 G CA -0.381 44.711 45.100 -0.015 0.000 0.622 2669 G HN 1.189 nan 8.290 nan 0.000 0.507 2670 G N -0.317 108.441 108.800 -0.070 0.000 2.432 2670 G HA2 0.587 4.547 3.960 0.000 0.000 0.239 2670 G HA3 0.587 4.547 3.960 0.000 0.000 0.239 2670 G C -0.295 174.501 174.900 -0.172 0.000 1.291 2670 G CA 0.819 45.841 45.100 -0.129 0.000 0.863 2670 G HN 1.357 nan 8.290 nan 0.000 0.560 2671 V N 2.017 121.739 119.914 -0.320 0.000 3.188 2671 V HA 0.592 4.712 4.120 0.000 0.000 0.305 2671 V C -0.987 174.779 176.094 -0.547 0.000 1.232 2671 V CA -0.688 61.395 62.300 -0.363 0.000 1.043 2671 V CB 2.579 34.190 31.823 -0.353 0.000 1.068 2671 V HN 0.595 nan 8.190 nan 0.000 0.439 2672 V N 5.249 124.946 119.914 -0.362 0.000 2.326 2672 V HA 0.286 4.406 4.120 0.000 0.000 0.281 2672 V C 0.462 176.464 176.094 -0.154 0.000 1.015 2672 V CA -0.399 61.731 62.300 -0.284 0.000 0.823 2672 V CB 1.248 33.011 31.823 -0.100 0.000 1.009 2672 V HN 0.999 nan 8.190 nan 0.000 0.436 2673 W N 3.811 125.113 121.300 0.002 0.000 2.380 2673 W HA 0.102 4.762 4.660 0.000 0.000 0.317 2673 W C 1.063 177.591 176.519 0.015 0.000 1.196 2673 W CA 0.508 57.856 57.345 0.005 0.000 1.307 2673 W CB 0.005 29.459 29.460 -0.010 0.000 1.157 2673 W HN 0.409 nan 8.180 nan 0.000 0.483 2674 R N -0.715 119.952 120.500 0.278 0.000 2.774 2674 R HA 0.563 4.903 4.340 0.000 0.000 0.272 2674 R C -0.570 175.811 176.300 0.135 0.000 1.000 2674 R CA -0.738 55.470 56.100 0.180 0.000 0.906 2674 R CB 2.682 33.080 30.300 0.164 0.000 1.227 2674 R HN -0.119 nan 8.270 nan 0.000 0.468 2675 I N -2.120 118.530 120.570 0.134 0.000 2.969 2675 I HA 0.684 4.854 4.170 0.000 0.000 0.307 2675 I C -1.011 175.204 176.117 0.164 0.000 1.149 2675 I CA -1.290 60.089 61.300 0.132 0.000 1.008 2675 I CB 2.458 40.551 38.000 0.155 0.000 1.232 2675 I HN 0.244 nan 8.210 nan 0.000 0.435 2676 R N 2.742 123.356 120.500 0.190 0.000 2.564 2676 R HA 0.800 5.140 4.340 0.000 0.000 0.284 2676 R C -1.418 175.125 176.300 0.404 0.000 1.031 2676 R CA -0.899 55.374 56.100 0.288 0.000 0.904 2676 R CB 2.161 32.672 30.300 0.351 0.000 1.199 2676 R HN 0.953 nan 8.270 nan 0.000 0.443 2677 A N 1.612 124.657 122.820 0.376 0.000 2.343 2677 A HA 0.616 4.936 4.320 0.000 0.000 0.316 2677 A C 0.107 177.890 177.584 0.330 0.000 1.104 2677 A CA -0.521 51.772 52.037 0.427 0.000 0.768 2677 A CB 1.074 20.208 19.000 0.224 0.000 1.213 2677 A HN 0.772 nan 8.150 nan 0.000 0.456 2678 S N 1.240 117.195 115.700 0.425 0.000 2.694 2678 S HA 0.257 4.727 4.470 0.000 0.000 0.278 2678 S C 0.913 175.647 174.600 0.224 0.000 1.152 2678 S CA 0.138 58.397 58.200 0.099 0.000 1.010 2678 S CB 0.607 63.767 63.200 -0.066 0.000 1.104 2678 S HN 0.861 nan 8.310 nan 0.000 0.547 2679 N N -0.405 118.376 118.700 0.134 0.000 2.459 2679 N HA -0.063 4.677 4.740 0.000 0.000 0.181 2679 N C 1.198 176.970 175.510 0.436 0.000 1.046 2679 N CA 1.722 54.869 53.050 0.161 0.000 0.904 2679 N CB -0.206 38.327 38.487 0.077 0.000 0.964 2679 N HN 0.595 nan 8.380 nan 0.000 0.444 2680 T N -1.682 113.142 114.554 0.451 0.000 2.955 2680 T HA 0.183 4.533 4.350 0.000 0.000 0.251 2680 T C -0.402 174.584 174.700 0.477 0.000 1.002 2680 T CA -0.125 62.264 62.100 0.480 0.000 0.970 2680 T CB 0.234 69.252 68.868 0.249 0.000 1.091 2680 T HN 0.444 nan 8.240 nan 0.000 0.495 2681 K N 0.377 121.117 120.400 0.568 0.000 2.466 2681 K HA 0.733 5.053 4.320 0.000 0.000 0.260 2681 K C -1.836 175.151 176.600 0.646 0.000 1.011 2681 K CA -1.152 55.409 56.287 0.457 0.000 0.871 2681 K CB 1.864 34.536 32.500 0.287 0.000 1.404 2681 K HN -0.002 nan 8.250 nan 0.000 0.450 2682 L N 1.213 122.672 121.223 0.393 0.000 2.376 2682 L HA 0.444 4.784 4.340 0.000 0.000 0.275 2682 L C -1.605 175.312 176.870 0.079 0.000 0.987 2682 L CA -0.568 54.513 54.840 0.401 0.000 0.828 2682 L CB 2.099 44.466 42.059 0.513 0.000 1.249 2682 L HN 0.580 nan 8.230 nan 0.000 0.409 2683 V N 3.982 123.872 119.914 -0.041 0.000 2.472 2683 V HA 0.543 4.663 4.120 0.000 0.000 0.290 2683 V C -0.472 175.579 176.094 -0.071 0.000 1.037 2683 V CA -0.404 61.762 62.300 -0.224 0.000 0.908 2683 V CB 1.422 32.935 31.823 -0.517 0.000 0.985 2683 V HN 0.899 nan 8.190 nan 0.000 0.454 2684 C N 3.810 123.054 119.300 -0.092 0.000 2.431 2684 C HA 0.747 5.207 4.460 0.000 0.000 0.321 2684 C C 0.583 175.539 174.990 -0.056 0.000 1.202 2684 C CA -1.035 57.962 59.018 -0.035 0.000 1.398 2684 C CB 0.884 28.609 27.740 -0.025 0.000 2.047 2684 C HN 0.978 nan 8.230 nan 0.000 0.465 2685 A N 3.494 126.329 122.820 0.025 0.000 2.343 2685 A HA 0.606 4.926 4.320 0.000 0.000 0.305 2685 A C -0.159 177.423 177.584 -0.004 0.000 1.308 2685 A CA 0.031 52.145 52.037 0.127 0.000 0.949 2685 A CB 0.022 19.211 19.000 0.316 0.000 1.148 2685 A HN 0.762 nan 8.150 nan 0.000 0.545 2686 V N 2.245 122.060 119.914 -0.163 0.000 2.769 2686 V HA 0.922 5.042 4.120 0.000 0.000 0.312 2686 V C 0.809 176.524 176.094 -0.631 0.000 1.058 2686 V CA 0.654 62.690 62.300 -0.440 0.000 0.952 2686 V CB 1.726 33.397 31.823 -0.254 0.000 1.019 2686 V HN 1.459 nan 8.190 nan 0.000 0.445 2687 G N 2.142 110.394 108.800 -0.914 0.000 2.360 2687 G HA2 0.592 4.552 3.960 0.000 0.000 0.276 2687 G HA3 0.592 4.552 3.960 0.000 0.000 0.276 2687 G C -0.970 173.639 174.900 -0.486 0.000 1.256 2687 G CA 0.174 44.914 45.100 -0.600 0.000 0.890 2687 G HN 1.497 nan 8.290 nan 0.000 0.486 2688 S N -1.808 113.887 115.700 -0.007 0.000 2.597 2688 S HA 0.492 4.962 4.470 0.000 0.000 0.274 2688 S C 0.423 175.157 174.600 0.224 0.000 1.132 2688 S CA -0.364 57.886 58.200 0.083 0.000 0.835 2688 S CB 1.770 64.963 63.200 -0.011 0.000 1.092 2688 S HN 0.834 nan 8.310 nan 0.000 0.457 2689 R N 0.864 121.479 120.500 0.191 0.000 2.092 2689 R HA -0.024 4.316 4.340 0.000 0.000 0.231 2689 R C 0.189 176.541 176.300 0.086 0.000 1.119 2689 R CA 1.727 57.916 56.100 0.149 0.000 0.970 2689 R CB -0.529 29.844 30.300 0.123 0.000 0.864 2689 R HN 0.821 nan 8.270 nan 0.000 0.440 2690 N N -0.796 117.942 118.700 0.065 0.000 2.492 2690 N HA 0.137 4.877 4.740 0.000 0.000 0.289 2690 N C 0.067 175.596 175.510 0.031 0.000 1.133 2690 N CA -0.540 52.533 53.050 0.038 0.000 0.961 2690 N CB 0.976 39.478 38.487 0.026 0.000 1.186 2690 N HN -0.033 nan 8.380 nan 0.000 0.493 2691 G N -0.714 108.099 108.800 0.021 0.000 3.090 2691 G HA2 0.115 4.075 3.960 0.000 0.000 0.259 2691 G HA3 0.115 4.075 3.960 0.000 0.000 0.259 2691 G C 0.526 175.430 174.900 0.008 0.000 0.797 2691 G CA 0.219 45.329 45.100 0.018 0.000 2.032 2691 G HN 0.827 nan 8.290 nan 0.000 0.614 2692 T N -3.262 111.292 114.554 0.001 0.000 2.969 2692 T HA 0.247 4.597 4.350 0.000 0.000 0.250 2692 T C 0.448 175.132 174.700 -0.027 0.000 1.021 2692 T CA -0.008 62.084 62.100 -0.013 0.000 1.003 2692 T CB 0.848 69.706 68.868 -0.017 0.000 1.040 2692 T HN 0.133 nan 8.240 nan 0.000 0.492 2693 E N 1.886 122.067 120.200 -0.032 0.000 2.316 2693 E HA 0.327 4.677 4.350 0.000 0.000 0.254 2693 E C -1.176 175.410 176.600 -0.023 0.000 0.902 2693 E CA -0.227 56.139 56.400 -0.057 0.000 0.801 2693 E CB 1.859 31.483 29.700 -0.126 0.000 1.270 2693 E HN 0.515 nan 8.360 nan 0.000 0.414 2694 E N 1.235 121.432 120.200 -0.005 0.000 2.417 2694 E HA 0.008 4.358 4.350 0.000 0.000 0.261 2694 E C 0.333 176.965 176.600 0.053 0.000 1.000 2694 E CA 0.208 56.629 56.400 0.035 0.000 0.919 2694 E CB 0.533 30.250 29.700 0.028 0.000 0.955 2694 E HN 0.306 nan 8.360 nan 0.000 0.455 2695 T N 3.609 118.253 114.554 0.150 0.000 2.908 2695 T HA 0.073 4.423 4.350 0.000 0.000 0.301 2695 T C -0.324 174.477 174.700 0.168 0.000 1.019 2695 T CA 0.134 62.389 62.100 0.258 0.000 1.152 2695 T CB 0.134 69.288 68.868 0.477 0.000 0.966 2695 T HN 0.608 nan 8.240 nan 0.000 0.540 2696 K N 2.882 123.338 120.400 0.093 0.000 2.614 2696 K HA 0.631 4.951 4.320 0.000 0.000 0.293 2696 K C -1.817 174.712 176.600 -0.118 0.000 1.045 2696 K CA -1.304 54.960 56.287 -0.038 0.000 0.880 2696 K CB 0.843 33.291 32.500 -0.085 0.000 1.552 2696 K HN 0.333 nan 8.250 nan 0.000 0.404 2697 L N 1.368 122.404 121.223 -0.312 0.000 2.346 2697 L HA 0.485 4.825 4.340 0.000 0.000 0.276 2697 L C -0.997 175.696 176.870 -0.295 0.000 1.006 2697 L CA -0.827 53.809 54.840 -0.340 0.000 0.817 2697 L CB 1.263 42.961 42.059 -0.602 0.000 1.272 2697 L HN 0.583 nan 8.230 nan 0.000 0.421 2698 L N 3.410 124.503 121.223 -0.216 0.000 2.287 2698 L HA 0.490 4.830 4.340 0.000 0.000 0.287 2698 L C -0.116 176.637 176.870 -0.194 0.000 1.022 2698 L CA -0.310 54.421 54.840 -0.181 0.000 0.814 2698 L CB 1.785 43.768 42.059 -0.127 0.000 1.217 2698 L HN 0.197 nan 8.230 nan 0.000 0.420 2699 V N 5.728 125.519 119.914 -0.206 0.000 2.304 2699 V HA 0.385 4.505 4.120 0.000 0.000 0.278 2699 V C 0.130 176.104 176.094 -0.200 0.000 1.018 2699 V CA -0.602 61.573 62.300 -0.208 0.000 0.814 2699 V CB 1.150 32.842 31.823 -0.218 0.000 1.021 2699 V HN 0.484 nan 8.190 nan 0.000 0.440 2700 L N 3.641 124.741 121.223 -0.205 0.000 2.305 2700 L HA 0.512 4.852 4.340 0.000 0.000 0.281 2700 L C -0.172 176.408 176.870 -0.483 0.000 1.085 2700 L CA -0.143 54.461 54.840 -0.393 0.000 0.813 2700 L CB 1.317 43.141 42.059 -0.391 0.000 1.157 2700 L HN 0.557 nan 8.230 nan 0.000 0.436 2701 D N 1.992 122.022 120.400 -0.616 0.000 2.381 2701 D HA 0.305 4.945 4.640 0.000 0.000 0.235 2701 D C -0.492 175.377 176.300 -0.719 0.000 1.068 2701 D CA -0.237 53.489 54.000 -0.457 0.000 0.832 2701 D CB 0.843 41.497 40.800 -0.244 0.000 1.101 2701 D HN 0.195 nan 8.370 nan 0.000 0.515 2702 F N 1.711 121.435 119.950 -0.377 0.000 2.850 2702 F HA 0.257 4.784 4.527 0.000 0.000 0.306 2702 F C 0.844 176.528 175.800 -0.192 0.000 1.162 2702 F CA -0.668 57.053 58.000 -0.464 0.000 1.327 2702 F CB 0.221 38.532 39.000 -1.149 0.000 0.953 2702 F HN 0.235 nan 8.300 nan 0.000 0.507 2703 D N 0.233 120.629 120.400 -0.006 0.000 2.411 2703 D HA 0.411 5.051 4.640 0.000 0.000 0.251 2703 D C -0.224 176.080 176.300 0.007 0.000 1.201 2703 D CA 0.224 54.246 54.000 0.037 0.000 0.996 2703 D CB 1.949 42.764 40.800 0.023 0.000 1.101 2703 D HN -0.158 nan 8.370 nan 0.000 0.504 2704 V N 0.989 120.913 119.914 0.016 0.000 2.864 2704 V HA 0.217 4.337 4.120 0.000 0.000 0.314 2704 V C -0.589 175.499 176.094 -0.009 0.000 1.073 2704 V CA -0.960 61.342 62.300 0.003 0.000 0.956 2704 V CB 2.084 33.918 31.823 0.018 0.000 1.023 2704 V HN 0.434 nan 8.190 nan 0.000 0.435 2705 D N 4.539 124.929 120.400 -0.017 0.000 2.359 2705 D HA 0.437 5.077 4.640 0.000 0.000 0.250 2705 D C -0.230 176.056 176.300 -0.024 0.000 1.264 2705 D CA 0.403 54.390 54.000 -0.022 0.000 0.911 2705 D CB 0.885 41.670 40.800 -0.024 0.000 1.056 2705 D HN 0.353 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 4.480 4.480 0.000 0.000 0.227 2706 M CA 0.000 55.276 55.300 -0.041 0.000 0.988 2706 M CB 0.000 32.575 32.600 -0.042 0.000 1.302 2706 M HN 0.000 nan 8.290 nan 0.000 0.411